USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 MET CE :methyl 160:sc= -0.176 (180deg=-1.32!) USER MOD Set 1.2: A 76 CYS SG : rot -54:sc= 0.282! USER MOD Set 1.3: A 80 SER OG : rot -41:sc= 0.475 USER MOD Set 1.4: B 12 MET CE :methyl 160:sc= -0.173 (180deg=-1.47!) USER MOD Set 1.5: B 76 CYS SG : rot -57:sc= 0.572! USER MOD Set 1.6: B 80 SER OG : rot -46:sc= 0.464 USER MOD Set 2.1: B 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 65 ASN : amide:sc= -2.73! C(o=-2.7!,f=-2.4!) USER MOD Set 3.1: B 35 LYS NZ :NH3+ 165:sc= -0.0064 (180deg=-0.248) USER MOD Set 3.2: B 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 65 ASN : amide:sc= -2.74! C(o=-2.7!,f=-2.4!) USER MOD Set 5.1: A 35 LYS NZ :NH3+ 165:sc=-0.00851 (180deg=-0.253) USER MOD Set 5.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.678 (180deg=-1.01) USER MOD Single : A 3 CYS SG : rot 127:sc= -0.978! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 64:sc= 1.5 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -71:sc= 0.699 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.338 F(o=-1.6,f=-0.34) USER MOD Single : A 31 LYS NZ :NH3+ -109:sc= -3.02! (180deg=-5.83!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -81:sc= 0.16 USER MOD Single : A 44 SER OG : rot -30:sc= 0.221 USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.21) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.93 K(o=-1.9,f=-2.5!) USER MOD Single : A 68 ASN : amide:sc= -0.0426 K(o=-0.043,f=-1.6!) USER MOD Single : A 73 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.8!) USER MOD Single : A 75 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot 76:sc= 1.09 USER MOD Single : A 84 MET CE :methyl -153:sc= -0.554 (180deg=-2.12!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0546 USER MOD Single : A 87 ASN : amide:sc= -0.0802 K(o=-0.08,f=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.0232 F(o=-1.5!,f=-0.023) USER MOD Single : A 100 LYS NZ :NH3+ 134:sc= -0.0487 (180deg=-0.579) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 167:sc= -0.686 (180deg=-1.12) USER MOD Single : B 3 CYS SG : rot 123:sc= -0.89! USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 68:sc= 1.51 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.031) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -86:sc= 0.517 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN :FLIP amide:sc= -0.344 F(o=-1.7!,f=-0.34) USER MOD Single : B 31 LYS NZ :NH3+ -109:sc= -3.27! (180deg=-6.04!) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot -82:sc= 0.186 USER MOD Single : B 44 SER OG : rot -18:sc= 0.304 USER MOD Single : B 48 LYS NZ :NH3+ 168:sc=-0.00321 (180deg=-0.217) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -2.01 X(o=-2,f=-2.4!) USER MOD Single : B 68 ASN : amide:sc= -0.054 K(o=-0.054,f=-1.6!) USER MOD Single : B 73 GLN : amide:sc=-0.00437 K(o=-0.0044,f=-1.7!) USER MOD Single : B 75 TYR OH : rot 165:sc= 0 USER MOD Single : B 81 CYS SG : rot 51:sc= 1.1 USER MOD Single : B 84 MET CE :methyl -151:sc= -0.443 (180deg=-2.04!) USER MOD Single : B 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 86 CYS SG : rot 180:sc= -0.0314 USER MOD Single : B 87 ASN : amide:sc= -0.0657 K(o=-0.066,f=-1.3) USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : B 100 LYS NZ :NH3+ 159:sc= -0.0373 (180deg=-0.583) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 75.903 5.803 -19.738 1.00 0.00 N ATOM 2 CA MET A 1 74.893 4.717 -19.879 1.00 0.00 C ATOM 3 C MET A 1 75.579 3.365 -19.698 1.00 0.00 C ATOM 4 O MET A 1 74.946 2.327 -19.703 1.00 0.00 O ATOM 5 CB MET A 1 74.255 4.792 -21.267 1.00 0.00 C ATOM 6 CG MET A 1 75.349 4.757 -22.336 1.00 0.00 C ATOM 7 SD MET A 1 74.591 4.881 -23.975 1.00 0.00 S ATOM 8 CE MET A 1 76.121 4.831 -24.940 1.00 0.00 C ATOM 0 H1 MET A 1 75.481 6.709 -20.026 1.00 0.00 H new ATOM 0 H2 MET A 1 76.211 5.864 -18.747 1.00 0.00 H new ATOM 0 H3 MET A 1 76.723 5.595 -20.343 1.00 0.00 H new ATOM 0 HA MET A 1 74.118 4.834 -19.121 1.00 0.00 H new ATOM 0 HB2 MET A 1 73.568 3.958 -21.408 1.00 0.00 H new ATOM 0 HB3 MET A 1 73.670 5.707 -21.361 1.00 0.00 H new ATOM 0 HG2 MET A 1 76.048 5.579 -22.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 75.921 3.833 -22.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 75.884 4.896 -26.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.756 5.671 -24.658 1.00 0.00 H new ATOM 0 HE3 MET A 1 76.646 3.896 -24.742 1.00 0.00 H new ATOM 20 N ALA A 2 76.872 3.369 -19.535 1.00 0.00 N ATOM 21 CA ALA A 2 77.604 2.087 -19.349 1.00 0.00 C ATOM 22 C ALA A 2 77.381 1.581 -17.923 1.00 0.00 C ATOM 23 O ALA A 2 77.708 0.458 -17.594 1.00 0.00 O ATOM 24 CB ALA A 2 79.099 2.315 -19.585 1.00 0.00 C ATOM 0 H ALA A 2 77.454 4.207 -19.523 1.00 0.00 H new ATOM 0 HA ALA A 2 77.235 1.347 -20.060 1.00 0.00 H new ATOM 0 HB1 ALA A 2 79.636 1.376 -19.449 1.00 0.00 H new ATOM 0 HB2 ALA A 2 79.256 2.679 -20.600 1.00 0.00 H new ATOM 0 HB3 ALA A 2 79.471 3.052 -18.874 1.00 0.00 H new ATOM 30 N CYS A 3 76.830 2.402 -17.072 1.00 0.00 N ATOM 31 CA CYS A 3 76.592 1.969 -15.667 1.00 0.00 C ATOM 32 C CYS A 3 77.877 1.363 -15.082 1.00 0.00 C ATOM 33 O CYS A 3 77.897 0.211 -14.697 1.00 0.00 O ATOM 34 CB CYS A 3 75.481 0.917 -15.642 1.00 0.00 C ATOM 35 SG CYS A 3 75.295 0.285 -13.958 1.00 0.00 S ATOM 0 H CYS A 3 76.534 3.354 -17.289 1.00 0.00 H new ATOM 0 HA CYS A 3 76.297 2.833 -15.071 1.00 0.00 H new ATOM 0 HB2 CYS A 3 74.543 1.354 -15.985 1.00 0.00 H new ATOM 0 HB3 CYS A 3 75.721 0.102 -16.324 1.00 0.00 H new ATOM 0 HG CYS A 3 74.053 0.390 -13.590 1.00 0.00 H new ATOM 41 N PRO A 4 78.948 2.122 -15.022 1.00 0.00 N ATOM 42 CA PRO A 4 80.235 1.597 -14.476 1.00 0.00 C ATOM 43 C PRO A 4 80.163 1.278 -12.971 1.00 0.00 C ATOM 44 O PRO A 4 81.013 0.593 -12.438 1.00 0.00 O ATOM 45 CB PRO A 4 81.216 2.746 -14.776 1.00 0.00 C ATOM 46 CG PRO A 4 80.393 3.993 -15.154 1.00 0.00 C ATOM 47 CD PRO A 4 78.960 3.540 -15.487 1.00 0.00 C ATOM 0 HA PRO A 4 80.525 0.645 -14.921 1.00 0.00 H new ATOM 0 HB2 PRO A 4 81.839 2.951 -13.906 1.00 0.00 H new ATOM 0 HB3 PRO A 4 81.886 2.471 -15.591 1.00 0.00 H new ATOM 0 HG2 PRO A 4 80.384 4.707 -14.330 1.00 0.00 H new ATOM 0 HG3 PRO A 4 80.840 4.499 -16.010 1.00 0.00 H new ATOM 0 HD2 PRO A 4 78.214 4.142 -14.969 1.00 0.00 H new ATOM 0 HD3 PRO A 4 78.748 3.618 -16.553 1.00 0.00 H new ATOM 55 N LEU A 5 79.157 1.750 -12.283 1.00 0.00 N ATOM 56 CA LEU A 5 79.057 1.442 -10.825 1.00 0.00 C ATOM 57 C LEU A 5 78.974 -0.076 -10.691 1.00 0.00 C ATOM 58 O LEU A 5 79.556 -0.672 -9.806 1.00 0.00 O ATOM 59 CB LEU A 5 77.793 2.089 -10.234 1.00 0.00 C ATOM 60 CG LEU A 5 77.692 1.790 -8.724 1.00 0.00 C ATOM 61 CD1 LEU A 5 78.811 2.524 -7.961 1.00 0.00 C ATOM 62 CD2 LEU A 5 76.322 2.255 -8.206 1.00 0.00 C ATOM 0 H LEU A 5 78.408 2.329 -12.662 1.00 0.00 H new ATOM 0 HA LEU A 5 79.920 1.834 -10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.818 3.166 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 5 76.909 1.710 -10.746 1.00 0.00 H new ATOM 0 HG LEU A 5 77.802 0.718 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 5 78.729 2.305 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 5 79.781 2.189 -8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 5 78.715 3.598 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 5 76.246 2.046 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.214 3.327 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 5 75.533 1.723 -8.737 1.00 0.00 H new ATOM 74 N GLU A 6 78.246 -0.697 -11.574 1.00 0.00 N ATOM 75 CA GLU A 6 78.096 -2.175 -11.533 1.00 0.00 C ATOM 76 C GLU A 6 79.480 -2.833 -11.678 1.00 0.00 C ATOM 77 O GLU A 6 79.813 -3.761 -10.968 1.00 0.00 O ATOM 78 CB GLU A 6 77.210 -2.591 -12.712 1.00 0.00 C ATOM 79 CG GLU A 6 76.717 -4.025 -12.525 1.00 0.00 C ATOM 80 CD GLU A 6 75.915 -4.448 -13.757 1.00 0.00 C ATOM 81 OE1 GLU A 6 75.635 -3.591 -14.580 1.00 0.00 O ATOM 82 OE2 GLU A 6 75.590 -5.620 -13.856 1.00 0.00 O ATOM 0 H GLU A 6 77.742 -0.236 -12.332 1.00 0.00 H new ATOM 0 HA GLU A 6 77.649 -2.488 -10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 6 76.359 -1.914 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 6 77.771 -2.511 -13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 6 77.563 -4.697 -12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 6 76.097 -4.095 -11.631 1.00 0.00 H new ATOM 89 N LYS A 7 80.288 -2.350 -12.587 1.00 0.00 N ATOM 90 CA LYS A 7 81.651 -2.932 -12.777 1.00 0.00 C ATOM 91 C LYS A 7 82.531 -2.469 -11.630 1.00 0.00 C ATOM 92 O LYS A 7 83.253 -3.233 -11.025 1.00 0.00 O ATOM 93 CB LYS A 7 82.247 -2.422 -14.089 1.00 0.00 C ATOM 94 CG LYS A 7 81.212 -2.564 -15.201 1.00 0.00 C ATOM 95 CD LYS A 7 81.812 -2.094 -16.540 1.00 0.00 C ATOM 96 CE LYS A 7 80.695 -1.580 -17.448 1.00 0.00 C ATOM 97 NZ LYS A 7 81.273 -1.128 -18.745 1.00 0.00 N ATOM 0 H LYS A 7 80.061 -1.574 -13.209 1.00 0.00 H new ATOM 0 HA LYS A 7 81.590 -4.020 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.545 -1.379 -13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.145 -2.987 -14.338 1.00 0.00 H new ATOM 0 HG2 LYS A 7 80.892 -3.603 -15.281 1.00 0.00 H new ATOM 0 HG3 LYS A 7 80.326 -1.975 -14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 7 82.545 -1.306 -16.366 1.00 0.00 H new ATOM 0 HD3 LYS A 7 82.338 -2.917 -17.024 1.00 0.00 H new ATOM 0 HE2 LYS A 7 79.961 -2.367 -17.620 1.00 0.00 H new ATOM 0 HE3 LYS A 7 80.170 -0.756 -16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 80.512 -0.779 -19.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 81.957 -0.364 -18.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 81.754 -1.926 -19.207 1.00 0.00 H new ATOM 111 N ALA A 8 82.456 -1.212 -11.313 1.00 0.00 N ATOM 112 CA ALA A 8 83.269 -0.700 -10.185 1.00 0.00 C ATOM 113 C ALA A 8 82.833 -1.478 -8.957 1.00 0.00 C ATOM 114 O ALA A 8 83.629 -1.880 -8.136 1.00 0.00 O ATOM 115 CB ALA A 8 83.034 0.794 -9.986 1.00 0.00 C ATOM 0 H ALA A 8 81.871 -0.521 -11.783 1.00 0.00 H new ATOM 0 HA ALA A 8 84.334 -0.830 -10.377 1.00 0.00 H new ATOM 0 HB1 ALA A 8 83.640 1.150 -9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 8 83.313 1.330 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 8 81.980 0.971 -9.770 1.00 0.00 H new ATOM 121 N LEU A 9 81.566 -1.753 -8.855 1.00 0.00 N ATOM 122 CA LEU A 9 81.105 -2.572 -7.716 1.00 0.00 C ATOM 123 C LEU A 9 81.835 -3.906 -7.830 1.00 0.00 C ATOM 124 O LEU A 9 82.302 -4.461 -6.856 1.00 0.00 O ATOM 125 CB LEU A 9 79.589 -2.779 -7.790 1.00 0.00 C ATOM 126 CG LEU A 9 79.112 -3.634 -6.606 1.00 0.00 C ATOM 127 CD1 LEU A 9 79.349 -2.894 -5.280 1.00 0.00 C ATOM 128 CD2 LEU A 9 77.617 -3.923 -6.771 1.00 0.00 C ATOM 0 H LEU A 9 80.841 -1.449 -9.504 1.00 0.00 H new ATOM 0 HA LEU A 9 81.317 -2.087 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 9 79.082 -1.814 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 9 79.327 -3.266 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 9 79.674 -4.568 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 9 79.006 -3.513 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.413 -2.689 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 9 78.797 -1.954 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 9 77.269 -4.530 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 9 77.065 -2.983 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 9 77.451 -4.462 -7.704 1.00 0.00 H new ATOM 140 N ASP A 10 81.973 -4.402 -9.035 1.00 0.00 N ATOM 141 CA ASP A 10 82.718 -5.675 -9.224 1.00 0.00 C ATOM 142 C ASP A 10 84.184 -5.423 -8.884 1.00 0.00 C ATOM 143 O ASP A 10 84.861 -6.280 -8.358 1.00 0.00 O ATOM 144 CB ASP A 10 82.594 -6.165 -10.671 1.00 0.00 C ATOM 145 CG ASP A 10 83.152 -7.586 -10.775 1.00 0.00 C ATOM 146 OD1 ASP A 10 83.868 -7.988 -9.872 1.00 0.00 O ATOM 147 OD2 ASP A 10 82.857 -8.246 -11.757 1.00 0.00 O ATOM 0 H ASP A 10 81.603 -3.981 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 10 82.303 -6.444 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 10 81.550 -6.148 -10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 10 83.138 -5.499 -11.340 1.00 0.00 H new ATOM 152 N VAL A 11 84.688 -4.248 -9.178 1.00 0.00 N ATOM 153 CA VAL A 11 86.117 -3.974 -8.852 1.00 0.00 C ATOM 154 C VAL A 11 86.309 -4.126 -7.343 1.00 0.00 C ATOM 155 O VAL A 11 87.284 -4.684 -6.887 1.00 0.00 O ATOM 156 CB VAL A 11 86.492 -2.547 -9.269 1.00 0.00 C ATOM 157 CG1 VAL A 11 87.890 -2.211 -8.748 1.00 0.00 C ATOM 158 CG2 VAL A 11 86.477 -2.444 -10.792 1.00 0.00 C ATOM 0 H VAL A 11 84.181 -3.482 -9.621 1.00 0.00 H new ATOM 0 HA VAL A 11 86.754 -4.676 -9.390 1.00 0.00 H new ATOM 0 HB VAL A 11 85.772 -1.845 -8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 11 88.155 -1.196 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 11 87.901 -2.285 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 11 88.612 -2.912 -9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 11 86.743 -1.430 -11.091 1.00 0.00 H new ATOM 0 HG22 VAL A 11 87.197 -3.147 -11.211 1.00 0.00 H new ATOM 0 HG23 VAL A 11 85.480 -2.681 -11.163 1.00 0.00 H new ATOM 168 N MET A 12 85.374 -3.648 -6.568 1.00 0.00 N ATOM 169 CA MET A 12 85.495 -3.784 -5.090 1.00 0.00 C ATOM 170 C MET A 12 85.563 -5.270 -4.747 1.00 0.00 C ATOM 171 O MET A 12 86.332 -5.700 -3.915 1.00 0.00 O ATOM 172 CB MET A 12 84.259 -3.172 -4.429 1.00 0.00 C ATOM 173 CG MET A 12 84.282 -1.648 -4.589 1.00 0.00 C ATOM 174 SD MET A 12 82.606 -0.996 -4.381 1.00 0.00 S ATOM 175 CE MET A 12 82.199 -1.892 -2.865 1.00 0.00 C ATOM 0 H MET A 12 84.534 -3.170 -6.894 1.00 0.00 H new ATOM 0 HA MET A 12 86.390 -3.273 -4.734 1.00 0.00 H new ATOM 0 HB2 MET A 12 83.355 -3.580 -4.881 1.00 0.00 H new ATOM 0 HB3 MET A 12 84.234 -3.435 -3.371 1.00 0.00 H new ATOM 0 HG2 MET A 12 84.951 -1.204 -3.852 1.00 0.00 H new ATOM 0 HG3 MET A 12 84.669 -1.380 -5.572 1.00 0.00 H new ATOM 0 HE1 MET A 12 81.371 -1.395 -2.360 1.00 0.00 H new ATOM 0 HE2 MET A 12 81.912 -2.914 -3.112 1.00 0.00 H new ATOM 0 HE3 MET A 12 83.068 -1.908 -2.207 1.00 0.00 H new ATOM 185 N VAL A 13 84.751 -6.053 -5.393 1.00 0.00 N ATOM 186 CA VAL A 13 84.746 -7.516 -5.128 1.00 0.00 C ATOM 187 C VAL A 13 85.931 -8.186 -5.829 1.00 0.00 C ATOM 188 O VAL A 13 86.592 -9.035 -5.267 1.00 0.00 O ATOM 189 CB VAL A 13 83.433 -8.098 -5.637 1.00 0.00 C ATOM 190 CG1 VAL A 13 83.406 -9.611 -5.407 1.00 0.00 C ATOM 191 CG2 VAL A 13 82.292 -7.440 -4.869 1.00 0.00 C ATOM 0 H VAL A 13 84.085 -5.741 -6.099 1.00 0.00 H new ATOM 0 HA VAL A 13 84.839 -7.698 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 13 83.330 -7.909 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.464 -10.018 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.235 -10.075 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.500 -9.819 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.340 -7.841 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.405 -7.644 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.314 -6.363 -5.036 1.00 0.00 H new ATOM 201 N SER A 14 86.209 -7.824 -7.053 1.00 0.00 N ATOM 202 CA SER A 14 87.355 -8.464 -7.760 1.00 0.00 C ATOM 203 C SER A 14 88.642 -8.194 -6.977 1.00 0.00 C ATOM 204 O SER A 14 89.479 -9.062 -6.823 1.00 0.00 O ATOM 205 CB SER A 14 87.485 -7.881 -9.166 1.00 0.00 C ATOM 206 OG SER A 14 86.304 -8.167 -9.907 1.00 0.00 O ATOM 0 H SER A 14 85.699 -7.121 -7.588 1.00 0.00 H new ATOM 0 HA SER A 14 87.184 -9.538 -7.831 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.642 -6.804 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 14 88.354 -8.305 -9.668 1.00 0.00 H new ATOM 0 HG SER A 14 85.540 -7.717 -9.491 1.00 0.00 H new ATOM 212 N THR A 15 88.800 -7.003 -6.465 1.00 0.00 N ATOM 213 CA THR A 15 90.028 -6.693 -5.676 1.00 0.00 C ATOM 214 C THR A 15 90.009 -7.516 -4.377 1.00 0.00 C ATOM 215 O THR A 15 91.026 -7.979 -3.906 1.00 0.00 O ATOM 216 CB THR A 15 90.090 -5.173 -5.399 1.00 0.00 C ATOM 217 OG1 THR A 15 91.440 -4.740 -5.483 1.00 0.00 O ATOM 218 CG2 THR A 15 89.532 -4.815 -4.015 1.00 0.00 C ATOM 0 H THR A 15 88.136 -6.235 -6.558 1.00 0.00 H new ATOM 0 HA THR A 15 90.924 -6.964 -6.234 1.00 0.00 H new ATOM 0 HB THR A 15 89.474 -4.672 -6.146 1.00 0.00 H new ATOM 0 HG1 THR A 15 91.486 -3.776 -5.310 1.00 0.00 H new ATOM 0 HG21 THR A 15 89.596 -3.737 -3.865 1.00 0.00 H new ATOM 0 HG22 THR A 15 88.490 -5.129 -3.950 1.00 0.00 H new ATOM 0 HG23 THR A 15 90.113 -5.324 -3.246 1.00 0.00 H new ATOM 226 N PHE A 16 88.849 -7.695 -3.808 1.00 0.00 N ATOM 227 CA PHE A 16 88.729 -8.477 -2.538 1.00 0.00 C ATOM 228 C PHE A 16 89.238 -9.904 -2.760 1.00 0.00 C ATOM 229 O PHE A 16 89.976 -10.440 -1.955 1.00 0.00 O ATOM 230 CB PHE A 16 87.248 -8.532 -2.141 1.00 0.00 C ATOM 231 CG PHE A 16 87.065 -9.323 -0.866 1.00 0.00 C ATOM 232 CD1 PHE A 16 87.111 -8.681 0.375 1.00 0.00 C ATOM 233 CD2 PHE A 16 86.839 -10.704 -0.930 1.00 0.00 C ATOM 234 CE1 PHE A 16 86.930 -9.419 1.552 1.00 0.00 C ATOM 235 CE2 PHE A 16 86.660 -11.442 0.245 1.00 0.00 C ATOM 236 CZ PHE A 16 86.705 -10.799 1.487 1.00 0.00 C ATOM 0 H PHE A 16 87.968 -7.330 -4.170 1.00 0.00 H new ATOM 0 HA PHE A 16 89.319 -8.002 -1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 16 86.865 -7.521 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 16 86.668 -8.987 -2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 16 87.286 -7.617 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 16 86.803 -11.200 -1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 16 86.964 -8.923 2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 16 86.487 -12.507 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 16 86.566 -11.367 2.395 1.00 0.00 H new ATOM 246 N HIS A 17 88.859 -10.522 -3.841 1.00 0.00 N ATOM 247 CA HIS A 17 89.327 -11.910 -4.111 1.00 0.00 C ATOM 248 C HIS A 17 90.800 -11.883 -4.508 1.00 0.00 C ATOM 249 O HIS A 17 91.504 -12.859 -4.345 1.00 0.00 O ATOM 250 CB HIS A 17 88.489 -12.536 -5.229 1.00 0.00 C ATOM 251 CG HIS A 17 88.946 -13.949 -5.468 1.00 0.00 C ATOM 252 ND1 HIS A 17 89.733 -14.297 -6.557 1.00 0.00 N ATOM 253 CD2 HIS A 17 88.731 -15.114 -4.772 1.00 0.00 C ATOM 254 CE1 HIS A 17 89.960 -15.622 -6.486 1.00 0.00 C ATOM 255 NE2 HIS A 17 89.373 -16.164 -5.418 1.00 0.00 N ATOM 0 H HIS A 17 88.244 -10.126 -4.552 1.00 0.00 H new ATOM 0 HA HIS A 17 89.211 -12.512 -3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 17 87.434 -12.525 -4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 17 88.588 -11.951 -6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 17 88.153 -15.200 -3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 17 90.545 -16.177 -7.205 1.00 0.00 H new ATOM 0 HE2 HIS A 17 89.391 -17.144 -5.135 1.00 0.00 H new ATOM 264 N LYS A 18 91.295 -10.773 -5.001 1.00 0.00 N ATOM 265 CA LYS A 18 92.743 -10.729 -5.359 1.00 0.00 C ATOM 266 C LYS A 18 93.492 -11.147 -4.100 1.00 0.00 C ATOM 267 O LYS A 18 94.424 -11.927 -4.136 1.00 0.00 O ATOM 268 CB LYS A 18 93.152 -9.308 -5.763 1.00 0.00 C ATOM 269 CG LYS A 18 94.564 -9.330 -6.360 1.00 0.00 C ATOM 270 CD LYS A 18 94.977 -7.911 -6.765 1.00 0.00 C ATOM 271 CE LYS A 18 96.388 -7.937 -7.363 1.00 0.00 C ATOM 272 NZ LYS A 18 96.847 -6.543 -7.625 1.00 0.00 N ATOM 0 H LYS A 18 90.770 -9.914 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 18 92.965 -11.383 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 18 92.445 -8.908 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 18 93.123 -8.650 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 18 95.270 -9.731 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 18 94.592 -9.989 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 18 94.271 -7.509 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 18 94.951 -7.252 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 18 97.075 -8.434 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 18 96.391 -8.511 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 97.804 -6.563 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 96.197 -6.084 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 96.860 -6.008 -6.733 1.00 0.00 H new ATOM 286 N TYR A 19 93.023 -10.679 -2.975 1.00 0.00 N ATOM 287 CA TYR A 19 93.620 -11.088 -1.679 1.00 0.00 C ATOM 288 C TYR A 19 92.829 -12.296 -1.191 1.00 0.00 C ATOM 289 O TYR A 19 93.381 -13.311 -0.828 1.00 0.00 O ATOM 290 CB TYR A 19 93.487 -9.964 -0.647 1.00 0.00 C ATOM 291 CG TYR A 19 94.206 -8.730 -1.129 1.00 0.00 C ATOM 292 CD1 TYR A 19 95.561 -8.541 -0.831 1.00 0.00 C ATOM 293 CD2 TYR A 19 93.513 -7.773 -1.873 1.00 0.00 C ATOM 294 CE1 TYR A 19 96.222 -7.392 -1.280 1.00 0.00 C ATOM 295 CE2 TYR A 19 94.169 -6.624 -2.325 1.00 0.00 C ATOM 296 CZ TYR A 19 95.525 -6.432 -2.028 1.00 0.00 C ATOM 297 OH TYR A 19 96.173 -5.298 -2.473 1.00 0.00 O ATOM 0 H TYR A 19 92.244 -10.025 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 19 94.678 -11.316 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 19 92.434 -9.738 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 19 93.902 -10.286 0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 19 96.096 -9.282 -0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 19 92.467 -7.921 -2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 19 97.267 -7.245 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 19 93.632 -5.886 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 19 95.545 -4.739 -2.976 1.00 0.00 H new ATOM 307 N SER A 20 91.523 -12.182 -1.186 1.00 0.00 N ATOM 308 CA SER A 20 90.661 -13.308 -0.719 1.00 0.00 C ATOM 309 C SER A 20 90.890 -13.507 0.778 1.00 0.00 C ATOM 310 O SER A 20 89.967 -13.688 1.546 1.00 0.00 O ATOM 311 CB SER A 20 91.029 -14.592 -1.470 1.00 0.00 C ATOM 312 OG SER A 20 92.066 -15.268 -0.771 1.00 0.00 O ATOM 0 H SER A 20 91.016 -11.350 -1.488 1.00 0.00 H new ATOM 0 HA SER A 20 89.613 -13.076 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 20 90.155 -15.237 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 20 91.354 -14.354 -2.483 1.00 0.00 H new ATOM 0 HG SER A 20 92.904 -14.770 -0.867 1.00 0.00 H new ATOM 318 N GLY A 21 92.122 -13.462 1.187 1.00 0.00 N ATOM 319 CA GLY A 21 92.453 -13.639 2.631 1.00 0.00 C ATOM 320 C GLY A 21 93.912 -14.086 2.776 1.00 0.00 C ATOM 321 O GLY A 21 94.711 -13.417 3.399 1.00 0.00 O ATOM 0 H GLY A 21 92.926 -13.309 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 21 92.294 -12.704 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 21 91.790 -14.379 3.078 1.00 0.00 H new ATOM 325 N LYS A 22 94.248 -15.222 2.210 1.00 0.00 N ATOM 326 CA LYS A 22 95.648 -15.769 2.285 1.00 0.00 C ATOM 327 C LYS A 22 96.044 -16.052 3.735 1.00 0.00 C ATOM 328 O LYS A 22 96.996 -16.761 3.998 1.00 0.00 O ATOM 329 CB LYS A 22 96.642 -14.764 1.699 1.00 0.00 C ATOM 330 CG LYS A 22 96.295 -14.487 0.235 1.00 0.00 C ATOM 331 CD LYS A 22 97.357 -13.574 -0.392 1.00 0.00 C ATOM 332 CE LYS A 22 97.259 -12.158 0.190 1.00 0.00 C ATOM 333 NZ LYS A 22 97.960 -11.203 -0.715 1.00 0.00 N ATOM 0 H LYS A 22 93.598 -15.808 1.687 1.00 0.00 H new ATOM 0 HA LYS A 22 95.672 -16.696 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 22 96.615 -13.836 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 22 97.656 -15.156 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 22 96.238 -15.425 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 22 95.314 -14.017 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 22 98.351 -13.982 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 22 97.223 -13.539 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 22 96.214 -11.870 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 22 97.706 -12.129 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 97.895 -10.242 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 98.960 -11.476 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 97.514 -11.224 -1.654 1.00 0.00 H new ATOM 347 N GLU A 23 95.335 -15.497 4.675 1.00 0.00 N ATOM 348 CA GLU A 23 95.670 -15.718 6.118 1.00 0.00 C ATOM 349 C GLU A 23 94.704 -16.743 6.722 1.00 0.00 C ATOM 350 O GLU A 23 94.957 -17.310 7.767 1.00 0.00 O ATOM 351 CB GLU A 23 95.539 -14.377 6.854 1.00 0.00 C ATOM 352 CG GLU A 23 95.978 -14.517 8.317 1.00 0.00 C ATOM 353 CD GLU A 23 97.465 -14.871 8.379 1.00 0.00 C ATOM 354 OE1 GLU A 23 98.161 -14.597 7.414 1.00 0.00 O ATOM 355 OE2 GLU A 23 97.886 -15.403 9.393 1.00 0.00 O ATOM 0 H GLU A 23 94.530 -14.893 4.510 1.00 0.00 H new ATOM 0 HA GLU A 23 96.687 -16.099 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 23 96.148 -13.622 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.506 -14.032 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.794 -13.586 8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.390 -15.290 8.811 1.00 0.00 H new ATOM 362 N GLY A 24 93.601 -17.000 6.072 1.00 0.00 N ATOM 363 CA GLY A 24 92.635 -17.994 6.621 1.00 0.00 C ATOM 364 C GLY A 24 91.397 -18.065 5.725 1.00 0.00 C ATOM 365 O GLY A 24 91.466 -18.485 4.587 1.00 0.00 O ATOM 0 H GLY A 24 93.328 -16.567 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 24 93.106 -18.975 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 24 92.346 -17.713 7.634 1.00 0.00 H new ATOM 369 N ASP A 25 90.261 -17.663 6.229 1.00 0.00 N ATOM 370 CA ASP A 25 89.020 -17.713 5.405 1.00 0.00 C ATOM 371 C ASP A 25 89.194 -16.848 4.161 1.00 0.00 C ATOM 372 O ASP A 25 89.645 -15.721 4.229 1.00 0.00 O ATOM 373 CB ASP A 25 87.839 -17.191 6.225 1.00 0.00 C ATOM 374 CG ASP A 25 87.487 -18.200 7.319 1.00 0.00 C ATOM 375 OD1 ASP A 25 87.836 -19.358 7.163 1.00 0.00 O ATOM 376 OD2 ASP A 25 86.872 -17.797 8.293 1.00 0.00 O ATOM 0 H ASP A 25 90.139 -17.302 7.175 1.00 0.00 H new ATOM 0 HA ASP A 25 88.829 -18.744 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 25 88.090 -16.229 6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 25 86.978 -17.027 5.577 1.00 0.00 H new ATOM 381 N LYS A 26 88.835 -17.369 3.023 1.00 0.00 N ATOM 382 CA LYS A 26 88.968 -16.589 1.765 1.00 0.00 C ATOM 383 C LYS A 26 87.761 -15.661 1.619 1.00 0.00 C ATOM 384 O LYS A 26 87.722 -14.804 0.758 1.00 0.00 O ATOM 385 CB LYS A 26 89.039 -17.554 0.579 1.00 0.00 C ATOM 386 CG LYS A 26 90.378 -18.296 0.618 1.00 0.00 C ATOM 387 CD LYS A 26 90.477 -19.273 -0.564 1.00 0.00 C ATOM 388 CE LYS A 26 89.674 -20.549 -0.272 1.00 0.00 C ATOM 389 NZ LYS A 26 90.055 -21.607 -1.251 1.00 0.00 N ATOM 0 H LYS A 26 88.453 -18.308 2.910 1.00 0.00 H new ATOM 0 HA LYS A 26 89.878 -15.989 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 26 88.214 -18.265 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 26 88.939 -17.006 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 26 91.200 -17.581 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 26 90.474 -18.840 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 26 90.100 -18.798 -1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 26 91.521 -19.527 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 26 89.870 -20.891 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 26 88.606 -20.343 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 89.513 -22.472 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 89.847 -21.279 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 91.072 -21.809 -1.166 1.00 0.00 H new ATOM 403 N PHE A 27 86.773 -15.831 2.455 1.00 0.00 N ATOM 404 CA PHE A 27 85.556 -14.969 2.377 1.00 0.00 C ATOM 405 C PHE A 27 85.707 -13.770 3.317 1.00 0.00 C ATOM 406 O PHE A 27 84.802 -12.970 3.456 1.00 0.00 O ATOM 407 CB PHE A 27 84.331 -15.782 2.807 1.00 0.00 C ATOM 408 CG PHE A 27 84.146 -16.963 1.886 1.00 0.00 C ATOM 409 CD1 PHE A 27 83.374 -16.832 0.725 1.00 0.00 C ATOM 410 CD2 PHE A 27 84.737 -18.192 2.197 1.00 0.00 C ATOM 411 CE1 PHE A 27 83.196 -17.930 -0.124 1.00 0.00 C ATOM 412 CE2 PHE A 27 84.560 -19.290 1.348 1.00 0.00 C ATOM 413 CZ PHE A 27 83.789 -19.159 0.187 1.00 0.00 C ATOM 0 H PHE A 27 86.755 -16.534 3.194 1.00 0.00 H new ATOM 0 HA PHE A 27 85.433 -14.618 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 27 84.455 -16.127 3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 27 83.441 -15.152 2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 27 82.916 -15.884 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 27 85.331 -18.294 3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 27 82.601 -17.829 -1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 27 85.018 -20.238 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 27 83.652 -20.006 -0.469 1.00 0.00 H new ATOM 423 N LYS A 28 86.829 -13.650 3.986 1.00 0.00 N ATOM 424 CA LYS A 28 87.020 -12.510 4.942 1.00 0.00 C ATOM 425 C LYS A 28 88.441 -11.951 4.831 1.00 0.00 C ATOM 426 O LYS A 28 89.338 -12.601 4.331 1.00 0.00 O ATOM 427 CB LYS A 28 86.787 -13.010 6.370 1.00 0.00 C ATOM 428 CG LYS A 28 85.361 -13.551 6.489 1.00 0.00 C ATOM 429 CD LYS A 28 85.116 -14.053 7.912 1.00 0.00 C ATOM 430 CE LYS A 28 83.689 -14.590 8.016 1.00 0.00 C ATOM 431 NZ LYS A 28 83.533 -15.344 9.291 1.00 0.00 N ATOM 0 H LYS A 28 87.620 -14.290 3.913 1.00 0.00 H new ATOM 0 HA LYS A 28 86.310 -11.720 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 28 87.506 -13.791 6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 28 86.941 -12.199 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 28 84.643 -12.769 6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 28 85.209 -14.361 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 28 85.831 -14.836 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 28 85.266 -13.244 8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 28 82.976 -13.767 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 28 83.471 -15.239 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 82.562 -15.709 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 84.204 -16.138 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 83.724 -14.711 10.094 1.00 0.00 H new ATOM 445 N LEU A 29 88.649 -10.745 5.311 1.00 0.00 N ATOM 446 CA LEU A 29 90.000 -10.111 5.267 1.00 0.00 C ATOM 447 C LEU A 29 90.412 -9.849 6.714 1.00 0.00 C ATOM 448 O LEU A 29 89.588 -9.547 7.528 1.00 0.00 O ATOM 449 CB LEU A 29 89.896 -8.776 4.484 1.00 0.00 C ATOM 450 CG LEU A 29 90.573 -8.876 3.108 1.00 0.00 C ATOM 451 CD1 LEU A 29 90.057 -7.746 2.214 1.00 0.00 C ATOM 452 CD2 LEU A 29 92.083 -8.720 3.272 1.00 0.00 C ATOM 0 H LEU A 29 87.925 -10.167 5.738 1.00 0.00 H new ATOM 0 HA LEU A 29 90.735 -10.747 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 29 88.847 -8.509 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 29 90.360 -7.977 5.062 1.00 0.00 H new ATOM 0 HG LEU A 29 90.347 -9.844 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 29 90.533 -7.810 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 29 88.977 -7.837 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 29 90.293 -6.785 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 29 92.564 -8.791 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 29 92.302 -7.749 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 29 92.462 -9.509 3.922 1.00 0.00 H new ATOM 464 N ASN A 30 91.664 -9.967 7.051 1.00 0.00 N ATOM 465 CA ASN A 30 92.084 -9.709 8.461 1.00 0.00 C ATOM 466 C ASN A 30 92.542 -8.248 8.567 1.00 0.00 C ATOM 467 O ASN A 30 93.231 -7.744 7.706 1.00 0.00 O ATOM 468 CB ASN A 30 93.240 -10.639 8.831 1.00 0.00 C ATOM 469 CG ASN A 30 92.696 -12.049 9.079 1.00 0.00 C ATOM 470 OD1 ASN A 30 92.877 -12.972 8.178 1.00 0.00 O flip ATOM 471 ND2 ASN A 30 92.093 -12.309 10.101 1.00 0.00 N flip ATOM 0 H ASN A 30 92.416 -10.230 6.415 1.00 0.00 H new ATOM 0 HA ASN A 30 91.253 -9.893 9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 30 93.978 -10.657 8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 30 93.747 -10.270 9.723 1.00 0.00 H new ATOM 0 HD21 ASN A 30 91.951 -11.587 10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 30 91.729 -13.250 10.253 1.00 0.00 H new ATOM 478 N LYS A 31 92.151 -7.559 9.602 1.00 0.00 N ATOM 479 CA LYS A 31 92.543 -6.125 9.751 1.00 0.00 C ATOM 480 C LYS A 31 94.021 -5.938 9.418 1.00 0.00 C ATOM 481 O LYS A 31 94.421 -4.923 8.912 1.00 0.00 O ATOM 482 CB LYS A 31 92.318 -5.675 11.190 1.00 0.00 C ATOM 483 CG LYS A 31 90.841 -5.808 11.555 1.00 0.00 C ATOM 484 CD LYS A 31 90.609 -5.249 12.965 1.00 0.00 C ATOM 485 CE LYS A 31 91.214 -6.188 14.017 1.00 0.00 C ATOM 486 NZ LYS A 31 90.665 -5.853 15.361 1.00 0.00 N ATOM 0 H LYS A 31 91.573 -7.928 10.357 1.00 0.00 H new ATOM 0 HA LYS A 31 91.934 -5.533 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 31 92.924 -6.277 11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 31 92.639 -4.640 11.310 1.00 0.00 H new ATOM 0 HG2 LYS A 31 90.227 -5.269 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 31 90.538 -6.854 11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 31 91.058 -4.260 13.050 1.00 0.00 H new ATOM 0 HD3 LYS A 31 89.541 -5.130 13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 31 90.986 -7.224 13.768 1.00 0.00 H new ATOM 0 HE3 LYS A 31 92.300 -6.093 14.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 91.407 -5.409 15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 89.868 -5.194 15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 90.336 -6.722 15.828 1.00 0.00 H new ATOM 500 N SER A 32 94.842 -6.902 9.677 1.00 0.00 N ATOM 501 CA SER A 32 96.280 -6.723 9.338 1.00 0.00 C ATOM 502 C SER A 32 96.359 -6.491 7.847 1.00 0.00 C ATOM 503 O SER A 32 97.102 -5.660 7.364 1.00 0.00 O ATOM 504 CB SER A 32 97.080 -7.961 9.687 1.00 0.00 C ATOM 505 OG SER A 32 97.041 -8.169 11.093 1.00 0.00 O ATOM 0 H SER A 32 94.593 -7.795 10.102 1.00 0.00 H new ATOM 0 HA SER A 32 96.692 -5.886 9.902 1.00 0.00 H new ATOM 0 HB2 SER A 32 96.672 -8.829 9.169 1.00 0.00 H new ATOM 0 HB3 SER A 32 98.112 -7.846 9.354 1.00 0.00 H new ATOM 0 HG SER A 32 97.557 -8.971 11.320 1.00 0.00 H new ATOM 511 N GLU A 33 95.567 -7.211 7.117 1.00 0.00 N ATOM 512 CA GLU A 33 95.550 -7.031 5.652 1.00 0.00 C ATOM 513 C GLU A 33 95.099 -5.614 5.371 1.00 0.00 C ATOM 514 O GLU A 33 95.397 -5.061 4.339 1.00 0.00 O ATOM 515 CB GLU A 33 94.605 -8.045 5.016 1.00 0.00 C ATOM 516 CG GLU A 33 95.118 -9.461 5.305 1.00 0.00 C ATOM 517 CD GLU A 33 96.391 -9.718 4.498 1.00 0.00 C ATOM 518 OE1 GLU A 33 96.502 -9.173 3.413 1.00 0.00 O ATOM 519 OE2 GLU A 33 97.232 -10.462 4.977 1.00 0.00 O ATOM 0 H GLU A 33 94.928 -7.920 7.476 1.00 0.00 H new ATOM 0 HA GLU A 33 96.540 -7.194 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 33 93.598 -7.922 5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 33 94.545 -7.879 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 33 95.321 -9.575 6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 33 94.356 -10.195 5.045 1.00 0.00 H new ATOM 526 N LEU A 34 94.407 -4.987 6.284 1.00 0.00 N ATOM 527 CA LEU A 34 94.015 -3.579 6.003 1.00 0.00 C ATOM 528 C LEU A 34 95.306 -2.803 5.808 1.00 0.00 C ATOM 529 O LEU A 34 95.417 -1.981 4.929 1.00 0.00 O ATOM 530 CB LEU A 34 93.191 -2.976 7.169 1.00 0.00 C ATOM 531 CG LEU A 34 92.794 -1.498 6.912 1.00 0.00 C ATOM 532 CD1 LEU A 34 93.998 -0.536 7.118 1.00 0.00 C ATOM 533 CD2 LEU A 34 92.221 -1.337 5.498 1.00 0.00 C ATOM 0 H LEU A 34 94.106 -5.371 7.180 1.00 0.00 H new ATOM 0 HA LEU A 34 93.381 -3.529 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 34 92.290 -3.570 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.771 -3.039 8.090 1.00 0.00 H new ATOM 0 HG LEU A 34 92.028 -1.231 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 34 93.681 0.490 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 34 94.360 -0.621 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 34 94.798 -0.801 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 34 91.947 -0.295 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.971 -1.636 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 34 91.337 -1.966 5.390 1.00 0.00 H new ATOM 545 N LYS A 35 96.305 -3.082 6.602 1.00 0.00 N ATOM 546 CA LYS A 35 97.587 -2.359 6.415 1.00 0.00 C ATOM 547 C LYS A 35 98.239 -2.788 5.102 1.00 0.00 C ATOM 548 O LYS A 35 98.626 -1.969 4.291 1.00 0.00 O ATOM 549 CB LYS A 35 98.519 -2.694 7.575 1.00 0.00 C ATOM 550 CG LYS A 35 99.812 -1.890 7.457 1.00 0.00 C ATOM 551 CD LYS A 35 100.730 -2.241 8.627 1.00 0.00 C ATOM 552 CE LYS A 35 102.052 -1.494 8.473 1.00 0.00 C ATOM 553 NZ LYS A 35 101.828 -0.037 8.687 1.00 0.00 N ATOM 0 H LYS A 35 96.287 -3.767 7.358 1.00 0.00 H new ATOM 0 HA LYS A 35 97.398 -1.286 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 35 98.028 -2.471 8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 35 98.743 -3.761 7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 35 100.307 -2.111 6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 35 99.592 -0.822 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 35 100.255 -1.972 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 35 100.908 -3.316 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 102.780 -1.870 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 35 102.466 -1.667 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 102.742 0.437 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 101.359 0.369 7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 101.226 0.103 9.524 1.00 0.00 H new ATOM 567 N GLU A 36 98.381 -4.065 4.893 1.00 0.00 N ATOM 568 CA GLU A 36 99.027 -4.541 3.640 1.00 0.00 C ATOM 569 C GLU A 36 98.136 -4.265 2.436 1.00 0.00 C ATOM 570 O GLU A 36 98.604 -3.875 1.384 1.00 0.00 O ATOM 571 CB GLU A 36 99.292 -6.045 3.748 1.00 0.00 C ATOM 572 CG GLU A 36 99.941 -6.541 2.457 1.00 0.00 C ATOM 573 CD GLU A 36 100.382 -7.995 2.629 1.00 0.00 C ATOM 574 OE1 GLU A 36 100.275 -8.500 3.735 1.00 0.00 O ATOM 575 OE2 GLU A 36 100.816 -8.581 1.651 1.00 0.00 O ATOM 0 H GLU A 36 98.079 -4.799 5.534 1.00 0.00 H new ATOM 0 HA GLU A 36 99.967 -4.006 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 36 99.943 -6.250 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.358 -6.578 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 36 99.236 -6.460 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 36 100.799 -5.917 2.207 1.00 0.00 H new ATOM 582 N LEU A 37 96.863 -4.459 2.572 1.00 0.00 N ATOM 583 CA LEU A 37 95.955 -4.203 1.432 1.00 0.00 C ATOM 584 C LEU A 37 95.891 -2.704 1.190 1.00 0.00 C ATOM 585 O LEU A 37 95.780 -2.245 0.071 1.00 0.00 O ATOM 586 CB LEU A 37 94.558 -4.754 1.765 1.00 0.00 C ATOM 587 CG LEU A 37 93.632 -4.708 0.522 1.00 0.00 C ATOM 588 CD1 LEU A 37 92.533 -5.773 0.665 1.00 0.00 C ATOM 589 CD2 LEU A 37 92.976 -3.311 0.356 1.00 0.00 C ATOM 0 H LEU A 37 96.410 -4.785 3.426 1.00 0.00 H new ATOM 0 HA LEU A 37 96.321 -4.698 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 37 94.643 -5.780 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 37 94.117 -4.171 2.574 1.00 0.00 H new ATOM 0 HG LEU A 37 94.238 -4.907 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 37 91.881 -5.742 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 37 92.990 -6.760 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 37 91.948 -5.573 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 37 92.333 -3.313 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 37 92.380 -3.081 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 37 93.753 -2.556 0.236 1.00 0.00 H new ATOM 601 N LEU A 38 95.945 -1.933 2.236 1.00 0.00 N ATOM 602 CA LEU A 38 95.854 -0.452 2.046 1.00 0.00 C ATOM 603 C LEU A 38 97.107 0.117 1.375 1.00 0.00 C ATOM 604 O LEU A 38 97.024 1.010 0.554 1.00 0.00 O ATOM 605 CB LEU A 38 95.646 0.232 3.400 1.00 0.00 C ATOM 606 CG LEU A 38 95.592 1.756 3.230 1.00 0.00 C ATOM 607 CD1 LEU A 38 94.498 2.134 2.217 1.00 0.00 C ATOM 608 CD2 LEU A 38 95.278 2.380 4.589 1.00 0.00 C ATOM 0 H LEU A 38 96.046 -2.251 3.200 1.00 0.00 H new ATOM 0 HA LEU A 38 95.005 -0.256 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 38 94.721 -0.122 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 38 96.457 -0.036 4.078 1.00 0.00 H new ATOM 0 HG LEU A 38 96.549 2.124 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 38 94.467 3.218 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 38 94.719 1.674 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 38 93.532 1.779 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 38 95.235 3.465 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 38 94.317 2.010 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 38 96.058 2.111 5.302 1.00 0.00 H new ATOM 620 N THR A 39 98.262 -0.357 1.733 1.00 0.00 N ATOM 621 CA THR A 39 99.512 0.196 1.134 1.00 0.00 C ATOM 622 C THR A 39 99.758 -0.378 -0.243 1.00 0.00 C ATOM 623 O THR A 39 100.468 0.196 -1.044 1.00 0.00 O ATOM 624 CB THR A 39 100.699 -0.175 2.012 1.00 0.00 C ATOM 625 OG1 THR A 39 100.807 -1.590 2.088 1.00 0.00 O ATOM 626 CG2 THR A 39 100.482 0.391 3.398 1.00 0.00 C ATOM 0 H THR A 39 98.400 -1.104 2.414 1.00 0.00 H new ATOM 0 HA THR A 39 99.398 1.278 1.061 1.00 0.00 H new ATOM 0 HB THR A 39 101.616 0.234 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 39 100.177 -1.931 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 39 101.328 0.130 4.034 1.00 0.00 H new ATOM 0 HG22 THR A 39 100.394 1.476 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 39 99.568 -0.024 3.822 1.00 0.00 H new ATOM 634 N ARG A 40 99.214 -1.522 -0.525 1.00 0.00 N ATOM 635 CA ARG A 40 99.469 -2.136 -1.847 1.00 0.00 C ATOM 636 C ARG A 40 98.445 -1.651 -2.855 1.00 0.00 C ATOM 637 O ARG A 40 98.624 -1.801 -4.048 1.00 0.00 O ATOM 638 CB ARG A 40 99.402 -3.660 -1.744 1.00 0.00 C ATOM 639 CG ARG A 40 100.610 -4.176 -0.961 1.00 0.00 C ATOM 640 CD ARG A 40 100.582 -5.706 -0.956 1.00 0.00 C ATOM 641 NE ARG A 40 101.611 -6.243 -0.004 1.00 0.00 N ATOM 642 CZ ARG A 40 102.880 -5.947 -0.117 1.00 0.00 C ATOM 643 NH1 ARG A 40 103.323 -5.301 -1.159 1.00 0.00 N ATOM 644 NH2 ARG A 40 103.720 -6.351 0.797 1.00 0.00 N ATOM 0 H ARG A 40 98.608 -2.055 0.099 1.00 0.00 H new ATOM 0 HA ARG A 40 100.465 -1.843 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 40 98.479 -3.961 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 40 99.387 -4.101 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 40 101.534 -3.818 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 40 100.588 -3.795 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 40 99.591 -6.057 -0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 40 100.774 -6.083 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 40 101.312 -6.857 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 40 102.678 -5.021 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 40 104.315 -5.076 -1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 40 103.385 -6.894 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 40 104.711 -6.124 0.715 1.00 0.00 H new ATOM 658 N GLU A 41 97.363 -1.077 -2.394 1.00 0.00 N ATOM 659 CA GLU A 41 96.316 -0.590 -3.340 1.00 0.00 C ATOM 660 C GLU A 41 96.328 0.921 -3.376 1.00 0.00 C ATOM 661 O GLU A 41 95.996 1.515 -4.381 1.00 0.00 O ATOM 662 CB GLU A 41 94.943 -1.091 -2.886 1.00 0.00 C ATOM 663 CG GLU A 41 93.934 -0.934 -4.025 1.00 0.00 C ATOM 664 CD GLU A 41 94.253 -1.932 -5.139 1.00 0.00 C ATOM 665 OE1 GLU A 41 94.938 -2.903 -4.858 1.00 0.00 O ATOM 666 OE2 GLU A 41 93.808 -1.710 -6.252 1.00 0.00 O ATOM 0 H GLU A 41 97.160 -0.925 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 41 96.523 -0.972 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 41 95.008 -2.137 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 41 94.611 -0.529 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 41 92.923 -1.100 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 41 93.967 0.083 -4.415 1.00 0.00 H new ATOM 673 N LEU A 42 96.725 1.559 -2.307 1.00 0.00 N ATOM 674 CA LEU A 42 96.771 3.059 -2.318 1.00 0.00 C ATOM 675 C LEU A 42 98.065 3.533 -1.632 1.00 0.00 C ATOM 676 O LEU A 42 98.043 3.929 -0.484 1.00 0.00 O ATOM 677 CB LEU A 42 95.566 3.646 -1.562 1.00 0.00 C ATOM 678 CG LEU A 42 94.239 3.095 -2.108 1.00 0.00 C ATOM 679 CD1 LEU A 42 93.110 3.446 -1.132 1.00 0.00 C ATOM 680 CD2 LEU A 42 93.924 3.731 -3.470 1.00 0.00 C ATOM 0 H LEU A 42 97.017 1.118 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 42 96.742 3.399 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 42 95.650 3.411 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 42 95.574 4.732 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 42 94.323 2.014 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 42 92.166 3.058 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 42 93.319 3.001 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 42 93.042 4.529 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 42 92.982 3.334 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 42 93.843 4.812 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 42 94.724 3.499 -4.173 1.00 0.00 H new ATOM 692 N PRO A 43 99.190 3.484 -2.312 1.00 0.00 N ATOM 693 CA PRO A 43 100.484 3.913 -1.699 1.00 0.00 C ATOM 694 C PRO A 43 100.637 5.448 -1.602 1.00 0.00 C ATOM 695 O PRO A 43 100.217 6.059 -0.639 1.00 0.00 O ATOM 696 CB PRO A 43 101.509 3.288 -2.667 1.00 0.00 C ATOM 697 CG PRO A 43 100.782 2.965 -3.987 1.00 0.00 C ATOM 698 CD PRO A 43 99.264 2.997 -3.721 1.00 0.00 C ATOM 0 HA PRO A 43 100.592 3.593 -0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.334 3.977 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 43 101.937 2.383 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 43 101.049 3.691 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 43 101.083 1.985 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 43 98.746 3.666 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 43 98.812 2.012 -3.833 1.00 0.00 H new ATOM 706 N SER A 44 101.254 6.066 -2.576 1.00 0.00 N ATOM 707 CA SER A 44 101.456 7.549 -2.531 1.00 0.00 C ATOM 708 C SER A 44 100.128 8.280 -2.748 1.00 0.00 C ATOM 709 O SER A 44 100.014 9.461 -2.502 1.00 0.00 O ATOM 710 CB SER A 44 102.449 7.962 -3.620 1.00 0.00 C ATOM 711 OG SER A 44 102.617 9.373 -3.590 1.00 0.00 O ATOM 0 H SER A 44 101.629 5.606 -3.406 1.00 0.00 H new ATOM 0 HA SER A 44 101.848 7.819 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 44 103.407 7.466 -3.462 1.00 0.00 H new ATOM 0 HB3 SER A 44 102.085 7.648 -4.598 1.00 0.00 H new ATOM 0 HG SER A 44 101.791 9.794 -3.271 1.00 0.00 H new ATOM 717 N PHE A 45 99.134 7.593 -3.225 1.00 0.00 N ATOM 718 CA PHE A 45 97.816 8.244 -3.476 1.00 0.00 C ATOM 719 C PHE A 45 97.032 8.369 -2.167 1.00 0.00 C ATOM 720 O PHE A 45 96.006 9.018 -2.103 1.00 0.00 O ATOM 721 CB PHE A 45 97.029 7.363 -4.432 1.00 0.00 C ATOM 722 CG PHE A 45 97.661 7.413 -5.804 1.00 0.00 C ATOM 723 CD1 PHE A 45 98.660 6.496 -6.144 1.00 0.00 C ATOM 724 CD2 PHE A 45 97.244 8.372 -6.737 1.00 0.00 C ATOM 725 CE1 PHE A 45 99.245 6.534 -7.416 1.00 0.00 C ATOM 726 CE2 PHE A 45 97.829 8.411 -8.008 1.00 0.00 C ATOM 727 CZ PHE A 45 98.829 7.492 -8.348 1.00 0.00 C ATOM 0 H PHE A 45 99.175 6.600 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 45 97.971 9.238 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 45 97.012 6.337 -4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 45 95.994 7.700 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 45 98.981 5.757 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 45 96.472 9.080 -6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 45 100.016 5.825 -7.678 1.00 0.00 H new ATOM 0 HE2 PHE A 45 97.509 9.151 -8.727 1.00 0.00 H new ATOM 0 HZ PHE A 45 99.279 7.522 -9.329 1.00 0.00 H new ATOM 737 N LEU A 46 97.504 7.743 -1.129 1.00 0.00 N ATOM 738 CA LEU A 46 96.789 7.802 0.192 1.00 0.00 C ATOM 739 C LEU A 46 97.822 7.899 1.300 1.00 0.00 C ATOM 740 O LEU A 46 97.708 8.693 2.213 1.00 0.00 O ATOM 741 CB LEU A 46 95.954 6.528 0.377 1.00 0.00 C ATOM 742 CG LEU A 46 95.412 6.431 1.831 1.00 0.00 C ATOM 743 CD1 LEU A 46 93.962 5.923 1.821 1.00 0.00 C ATOM 744 CD2 LEU A 46 96.271 5.452 2.653 1.00 0.00 C ATOM 0 H LEU A 46 98.359 7.187 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 46 96.130 8.670 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.122 6.527 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.563 5.652 0.152 1.00 0.00 H new ATOM 0 HG LEU A 46 95.453 7.424 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 46 93.592 5.859 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 46 93.339 6.613 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 46 93.925 4.936 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 46 95.882 5.392 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 46 96.238 4.464 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 46 97.302 5.806 2.679 1.00 0.00 H new ATOM 756 N GLY A 47 98.860 7.124 1.194 1.00 0.00 N ATOM 757 CA GLY A 47 99.947 7.192 2.202 1.00 0.00 C ATOM 758 C GLY A 47 100.767 8.413 1.838 1.00 0.00 C ATOM 759 O GLY A 47 101.880 8.611 2.283 1.00 0.00 O ATOM 0 H GLY A 47 99.003 6.443 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 47 99.541 7.279 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 47 100.558 6.289 2.181 1.00 0.00 H new ATOM 763 N LYS A 48 100.193 9.221 0.990 1.00 0.00 N ATOM 764 CA LYS A 48 100.854 10.445 0.505 1.00 0.00 C ATOM 765 C LYS A 48 101.517 11.181 1.676 1.00 0.00 C ATOM 766 O LYS A 48 102.341 12.055 1.486 1.00 0.00 O ATOM 767 CB LYS A 48 99.786 11.341 -0.112 1.00 0.00 C ATOM 768 CG LYS A 48 100.441 12.478 -0.888 1.00 0.00 C ATOM 769 CD LYS A 48 99.364 13.207 -1.683 1.00 0.00 C ATOM 770 CE LYS A 48 99.955 14.469 -2.314 1.00 0.00 C ATOM 771 NZ LYS A 48 100.992 14.084 -3.312 1.00 0.00 N ATOM 0 H LYS A 48 99.260 9.069 0.606 1.00 0.00 H new ATOM 0 HA LYS A 48 101.619 10.192 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 48 99.149 10.757 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 48 99.144 11.746 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 48 100.937 13.166 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 48 101.207 12.087 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 48 98.966 12.553 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 48 98.532 13.471 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 48 99.169 15.050 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 48 100.394 15.103 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 101.249 14.914 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 101.835 13.730 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 100.617 13.339 -3.933 1.00 0.00 H new ATOM 785 N ARG A 49 101.155 10.831 2.884 1.00 0.00 N ATOM 786 CA ARG A 49 101.740 11.493 4.089 1.00 0.00 C ATOM 787 C ARG A 49 101.043 12.841 4.322 1.00 0.00 C ATOM 788 O ARG A 49 101.618 13.766 4.857 1.00 0.00 O ATOM 789 CB ARG A 49 103.265 11.697 3.894 1.00 0.00 C ATOM 790 CG ARG A 49 104.015 11.469 5.216 1.00 0.00 C ATOM 791 CD ARG A 49 103.621 12.549 6.228 1.00 0.00 C ATOM 792 NE ARG A 49 104.492 12.445 7.433 1.00 0.00 N ATOM 793 CZ ARG A 49 104.515 13.414 8.307 1.00 0.00 C ATOM 794 NH1 ARG A 49 103.760 14.465 8.139 1.00 0.00 N ATOM 795 NH2 ARG A 49 105.291 13.331 9.352 1.00 0.00 N ATOM 0 H ARG A 49 100.469 10.104 3.089 1.00 0.00 H new ATOM 0 HA ARG A 49 101.586 10.859 4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 49 103.636 11.007 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 49 103.459 12.706 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 49 103.779 10.482 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 49 105.091 11.494 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 49 103.721 13.537 5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 49 102.575 12.432 6.511 1.00 0.00 H new ATOM 0 HE ARG A 49 105.070 11.617 7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 49 103.151 14.530 7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 49 103.779 15.221 8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 49 105.880 12.509 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 49 105.309 14.088 10.035 1.00 0.00 H new ATOM 809 N THR A 50 99.802 12.957 3.934 1.00 0.00 N ATOM 810 CA THR A 50 99.076 14.241 4.151 1.00 0.00 C ATOM 811 C THR A 50 98.600 14.302 5.603 1.00 0.00 C ATOM 812 O THR A 50 99.101 15.074 6.396 1.00 0.00 O ATOM 813 CB THR A 50 97.868 14.324 3.215 1.00 0.00 C ATOM 814 OG1 THR A 50 98.299 14.153 1.871 1.00 0.00 O ATOM 815 CG2 THR A 50 97.191 15.690 3.367 1.00 0.00 C ATOM 0 H THR A 50 99.261 12.222 3.478 1.00 0.00 H new ATOM 0 HA THR A 50 99.744 15.076 3.942 1.00 0.00 H new ATOM 0 HB THR A 50 97.156 13.539 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 50 97.526 14.204 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 50 96.331 15.746 2.699 1.00 0.00 H new ATOM 0 HG22 THR A 50 96.859 15.819 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 50 97.900 16.478 3.113 1.00 0.00 H new ATOM 823 N ASP A 51 97.636 13.485 5.960 1.00 0.00 N ATOM 824 CA ASP A 51 97.122 13.484 7.367 1.00 0.00 C ATOM 825 C ASP A 51 97.665 12.254 8.101 1.00 0.00 C ATOM 826 O ASP A 51 97.211 11.145 7.900 1.00 0.00 O ATOM 827 CB ASP A 51 95.593 13.425 7.348 1.00 0.00 C ATOM 828 CG ASP A 51 95.040 14.741 6.795 1.00 0.00 C ATOM 829 OD1 ASP A 51 95.767 15.720 6.813 1.00 0.00 O ATOM 830 OD2 ASP A 51 93.899 14.745 6.363 1.00 0.00 O ATOM 0 H ASP A 51 97.183 12.818 5.336 1.00 0.00 H new ATOM 0 HA ASP A 51 97.447 14.391 7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.258 12.590 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.212 13.252 8.355 1.00 0.00 H new ATOM 835 N GLU A 52 98.634 12.447 8.951 1.00 0.00 N ATOM 836 CA GLU A 52 99.219 11.301 9.705 1.00 0.00 C ATOM 837 C GLU A 52 98.200 10.758 10.706 1.00 0.00 C ATOM 838 O GLU A 52 98.090 9.564 10.910 1.00 0.00 O ATOM 839 CB GLU A 52 100.474 11.773 10.446 1.00 0.00 C ATOM 840 CG GLU A 52 101.103 10.605 11.209 1.00 0.00 C ATOM 841 CD GLU A 52 102.403 11.071 11.870 1.00 0.00 C ATOM 842 OE1 GLU A 52 102.748 12.229 11.699 1.00 0.00 O ATOM 843 OE2 GLU A 52 103.031 10.262 12.532 1.00 0.00 O ATOM 0 H GLU A 52 99.049 13.355 9.158 1.00 0.00 H new ATOM 0 HA GLU A 52 99.483 10.506 9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 52 101.192 12.183 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 52 100.217 12.574 11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 52 100.410 10.235 11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 52 101.304 9.778 10.528 1.00 0.00 H new ATOM 850 N ALA A 53 97.469 11.621 11.350 1.00 0.00 N ATOM 851 CA ALA A 53 96.477 11.150 12.355 1.00 0.00 C ATOM 852 C ALA A 53 95.460 10.218 11.692 1.00 0.00 C ATOM 853 O ALA A 53 95.189 9.141 12.185 1.00 0.00 O ATOM 854 CB ALA A 53 95.747 12.356 12.945 1.00 0.00 C ATOM 0 H ALA A 53 97.515 12.632 11.225 1.00 0.00 H new ATOM 0 HA ALA A 53 96.997 10.607 13.144 1.00 0.00 H new ATOM 0 HB1 ALA A 53 95.019 12.016 13.682 1.00 0.00 H new ATOM 0 HB2 ALA A 53 96.467 13.018 13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 95.233 12.895 12.149 1.00 0.00 H new ATOM 860 N ALA A 54 94.890 10.611 10.586 1.00 0.00 N ATOM 861 CA ALA A 54 93.894 9.721 9.923 1.00 0.00 C ATOM 862 C ALA A 54 94.553 8.394 9.551 1.00 0.00 C ATOM 863 O ALA A 54 94.026 7.329 9.802 1.00 0.00 O ATOM 864 CB ALA A 54 93.373 10.366 8.653 1.00 0.00 C ATOM 0 H ALA A 54 95.067 11.499 10.117 1.00 0.00 H new ATOM 0 HA ALA A 54 93.070 9.554 10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.647 9.704 8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 54 92.895 11.315 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 54 94.202 10.543 7.968 1.00 0.00 H new ATOM 870 N PHE A 55 95.700 8.449 8.939 1.00 0.00 N ATOM 871 CA PHE A 55 96.386 7.191 8.546 1.00 0.00 C ATOM 872 C PHE A 55 96.660 6.366 9.796 1.00 0.00 C ATOM 873 O PHE A 55 96.497 5.162 9.817 1.00 0.00 O ATOM 874 CB PHE A 55 97.714 7.532 7.896 1.00 0.00 C ATOM 875 CG PHE A 55 98.395 6.260 7.458 1.00 0.00 C ATOM 876 CD1 PHE A 55 99.196 5.547 8.357 1.00 0.00 C ATOM 877 CD2 PHE A 55 98.215 5.785 6.153 1.00 0.00 C ATOM 878 CE1 PHE A 55 99.819 4.361 7.952 1.00 0.00 C ATOM 879 CE2 PHE A 55 98.837 4.599 5.747 1.00 0.00 C ATOM 880 CZ PHE A 55 99.640 3.887 6.647 1.00 0.00 C ATOM 0 H PHE A 55 96.191 9.309 8.694 1.00 0.00 H new ATOM 0 HA PHE A 55 95.759 6.632 7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 55 97.555 8.187 7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 55 98.347 8.074 8.598 1.00 0.00 H new ATOM 0 HD1 PHE A 55 99.334 5.912 9.364 1.00 0.00 H new ATOM 0 HD2 PHE A 55 97.596 6.334 5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 55 100.438 3.812 8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 55 98.698 4.233 4.740 1.00 0.00 H new ATOM 0 HZ PHE A 55 100.121 2.972 6.334 1.00 0.00 H new ATOM 890 N GLN A 56 97.077 7.019 10.842 1.00 0.00 N ATOM 891 CA GLN A 56 97.372 6.294 12.109 1.00 0.00 C ATOM 892 C GLN A 56 96.068 5.759 12.667 1.00 0.00 C ATOM 893 O GLN A 56 96.025 4.743 13.325 1.00 0.00 O ATOM 894 CB GLN A 56 98.016 7.243 13.124 1.00 0.00 C ATOM 895 CG GLN A 56 98.451 6.448 14.358 1.00 0.00 C ATOM 896 CD GLN A 56 99.099 7.388 15.379 1.00 0.00 C ATOM 897 OE1 GLN A 56 98.657 8.506 15.559 1.00 0.00 O ATOM 898 NE2 GLN A 56 100.135 6.979 16.059 1.00 0.00 N ATOM 0 H GLN A 56 97.227 8.027 10.875 1.00 0.00 H new ATOM 0 HA GLN A 56 98.065 5.476 11.913 1.00 0.00 H new ATOM 0 HB2 GLN A 56 98.876 7.742 12.677 1.00 0.00 H new ATOM 0 HB3 GLN A 56 97.309 8.022 13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 56 97.590 5.950 14.804 1.00 0.00 H new ATOM 0 HG3 GLN A 56 99.156 5.668 14.070 1.00 0.00 H new ATOM 0 HE21 GLN A 56 100.506 6.041 15.908 1.00 0.00 H new ATOM 0 HE22 GLN A 56 100.574 7.597 16.741 1.00 0.00 H new ATOM 907 N LYS A 57 95.004 6.441 12.389 1.00 0.00 N ATOM 908 CA LYS A 57 93.673 5.993 12.875 1.00 0.00 C ATOM 909 C LYS A 57 93.291 4.731 12.110 1.00 0.00 C ATOM 910 O LYS A 57 92.780 3.783 12.671 1.00 0.00 O ATOM 911 CB LYS A 57 92.656 7.133 12.675 1.00 0.00 C ATOM 912 CG LYS A 57 91.224 6.591 12.520 1.00 0.00 C ATOM 913 CD LYS A 57 90.198 7.665 12.908 1.00 0.00 C ATOM 914 CE LYS A 57 90.229 8.804 11.888 1.00 0.00 C ATOM 915 NZ LYS A 57 89.061 9.703 12.112 1.00 0.00 N ATOM 0 H LYS A 57 94.995 7.300 11.840 1.00 0.00 H new ATOM 0 HA LYS A 57 93.690 5.756 13.939 1.00 0.00 H new ATOM 0 HB2 LYS A 57 92.699 7.813 13.526 1.00 0.00 H new ATOM 0 HB3 LYS A 57 92.925 7.711 11.791 1.00 0.00 H new ATOM 0 HG2 LYS A 57 91.058 6.276 11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 57 91.092 5.710 13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 57 89.200 7.229 12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 57 90.420 8.050 13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 57 91.158 9.366 11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 57 90.202 8.401 10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 89.081 10.478 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 88.180 9.162 12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 89.106 10.097 13.073 1.00 0.00 H new ATOM 929 N LEU A 58 93.580 4.693 10.843 1.00 0.00 N ATOM 930 CA LEU A 58 93.281 3.466 10.070 1.00 0.00 C ATOM 931 C LEU A 58 94.234 2.411 10.601 1.00 0.00 C ATOM 932 O LEU A 58 93.884 1.276 10.821 1.00 0.00 O ATOM 933 CB LEU A 58 93.507 3.704 8.564 1.00 0.00 C ATOM 934 CG LEU A 58 92.204 4.179 7.897 1.00 0.00 C ATOM 935 CD1 LEU A 58 91.871 5.601 8.347 1.00 0.00 C ATOM 936 CD2 LEU A 58 92.372 4.165 6.381 1.00 0.00 C ATOM 0 H LEU A 58 94.007 5.453 10.314 1.00 0.00 H new ATOM 0 HA LEU A 58 92.241 3.159 10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 58 94.290 4.449 8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 58 93.851 2.784 8.091 1.00 0.00 H new ATOM 0 HG LEU A 58 91.395 3.509 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 58 90.947 5.927 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 58 91.746 5.620 9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 58 92.682 6.272 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 58 91.449 4.502 5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 58 93.187 4.831 6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 58 92.600 3.152 6.050 1.00 0.00 H new ATOM 948 N MET A 59 95.438 2.808 10.857 1.00 0.00 N ATOM 949 CA MET A 59 96.412 1.855 11.437 1.00 0.00 C ATOM 950 C MET A 59 95.899 1.488 12.821 1.00 0.00 C ATOM 951 O MET A 59 95.957 0.352 13.247 1.00 0.00 O ATOM 952 CB MET A 59 97.794 2.504 11.540 1.00 0.00 C ATOM 953 CG MET A 59 98.850 1.446 11.861 1.00 0.00 C ATOM 954 SD MET A 59 100.469 2.245 12.013 1.00 0.00 S ATOM 955 CE MET A 59 101.385 0.820 12.654 1.00 0.00 C ATOM 0 H MET A 59 95.792 3.750 10.691 1.00 0.00 H new ATOM 0 HA MET A 59 96.510 0.969 10.809 1.00 0.00 H new ATOM 0 HB2 MET A 59 98.041 3.002 10.603 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.788 3.270 12.316 1.00 0.00 H new ATOM 0 HG2 MET A 59 98.597 0.932 12.788 1.00 0.00 H new ATOM 0 HG3 MET A 59 98.876 0.691 11.075 1.00 0.00 H new ATOM 0 HE1 MET A 59 102.425 1.101 12.820 1.00 0.00 H new ATOM 0 HE2 MET A 59 100.942 0.496 13.596 1.00 0.00 H new ATOM 0 HE3 MET A 59 101.340 0.004 11.932 1.00 0.00 H new ATOM 965 N SER A 60 95.378 2.450 13.524 1.00 0.00 N ATOM 966 CA SER A 60 94.834 2.161 14.877 1.00 0.00 C ATOM 967 C SER A 60 93.696 1.152 14.739 1.00 0.00 C ATOM 968 O SER A 60 93.393 0.421 15.661 1.00 0.00 O ATOM 969 CB SER A 60 94.306 3.446 15.511 1.00 0.00 C ATOM 970 OG SER A 60 94.108 3.235 16.902 1.00 0.00 O ATOM 0 H SER A 60 95.305 3.422 13.222 1.00 0.00 H new ATOM 0 HA SER A 60 95.621 1.754 15.512 1.00 0.00 H new ATOM 0 HB2 SER A 60 95.012 4.261 15.352 1.00 0.00 H new ATOM 0 HB3 SER A 60 93.369 3.740 15.039 1.00 0.00 H new ATOM 0 HG SER A 60 93.771 4.058 17.313 1.00 0.00 H new ATOM 976 N ASN A 61 93.066 1.087 13.594 1.00 0.00 N ATOM 977 CA ASN A 61 91.964 0.093 13.445 1.00 0.00 C ATOM 978 C ASN A 61 92.584 -1.289 13.577 1.00 0.00 C ATOM 979 O ASN A 61 91.984 -2.209 14.096 1.00 0.00 O ATOM 980 CB ASN A 61 91.244 0.232 12.100 1.00 0.00 C ATOM 981 CG ASN A 61 90.438 1.532 12.094 1.00 0.00 C ATOM 982 OD1 ASN A 61 89.995 1.988 13.129 1.00 0.00 O ATOM 983 ND2 ASN A 61 90.226 2.150 10.966 1.00 0.00 N ATOM 0 H ASN A 61 93.261 1.664 12.775 1.00 0.00 H new ATOM 0 HA ASN A 61 91.211 0.262 14.215 1.00 0.00 H new ATOM 0 HB2 ASN A 61 91.968 0.235 11.285 1.00 0.00 H new ATOM 0 HB3 ASN A 61 90.584 -0.620 11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 61 89.688 3.017 10.952 1.00 0.00 H new ATOM 0 HD22 ASN A 61 90.598 1.767 10.097 1.00 0.00 H new ATOM 990 N LEU A 62 93.813 -1.428 13.150 1.00 0.00 N ATOM 991 CA LEU A 62 94.498 -2.737 13.296 1.00 0.00 C ATOM 992 C LEU A 62 94.502 -3.022 14.791 1.00 0.00 C ATOM 993 O LEU A 62 94.371 -4.144 15.239 1.00 0.00 O ATOM 994 CB LEU A 62 95.946 -2.640 12.793 1.00 0.00 C ATOM 995 CG LEU A 62 95.999 -1.954 11.428 1.00 0.00 C ATOM 996 CD1 LEU A 62 97.459 -1.681 11.064 1.00 0.00 C ATOM 997 CD2 LEU A 62 95.382 -2.863 10.369 1.00 0.00 C ATOM 0 H LEU A 62 94.366 -0.693 12.709 1.00 0.00 H new ATOM 0 HA LEU A 62 93.999 -3.518 12.722 1.00 0.00 H new ATOM 0 HB2 LEU A 62 96.549 -2.082 13.510 1.00 0.00 H new ATOM 0 HB3 LEU A 62 96.379 -3.638 12.721 1.00 0.00 H new ATOM 0 HG LEU A 62 95.442 -1.018 11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 62 97.506 -1.192 10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 62 97.907 -1.034 11.818 1.00 0.00 H new ATOM 0 HD13 LEU A 62 98.006 -2.623 11.023 1.00 0.00 H new ATOM 0 HD21 LEU A 62 95.422 -2.370 9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 62 95.939 -3.799 10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 62 94.344 -3.071 10.628 1.00 0.00 H new ATOM 1009 N ASP A 63 94.625 -1.973 15.562 1.00 0.00 N ATOM 1010 CA ASP A 63 94.609 -2.103 17.044 1.00 0.00 C ATOM 1011 C ASP A 63 93.164 -1.955 17.528 1.00 0.00 C ATOM 1012 O ASP A 63 92.911 -1.668 18.681 1.00 0.00 O ATOM 1013 CB ASP A 63 95.458 -0.997 17.671 1.00 0.00 C ATOM 1014 CG ASP A 63 95.652 -1.293 19.160 1.00 0.00 C ATOM 1015 OD1 ASP A 63 95.014 -2.212 19.648 1.00 0.00 O ATOM 1016 OD2 ASP A 63 96.439 -0.603 19.784 1.00 0.00 O ATOM 0 H ASP A 63 94.737 -1.019 15.219 1.00 0.00 H new ATOM 0 HA ASP A 63 95.013 -3.073 17.333 1.00 0.00 H new ATOM 0 HB2 ASP A 63 96.425 -0.937 17.171 1.00 0.00 H new ATOM 0 HB3 ASP A 63 94.971 -0.031 17.541 1.00 0.00 H new ATOM 1021 N SER A 64 92.212 -2.125 16.645 1.00 0.00 N ATOM 1022 CA SER A 64 90.784 -1.964 17.048 1.00 0.00 C ATOM 1023 C SER A 64 90.433 -2.957 18.156 1.00 0.00 C ATOM 1024 O SER A 64 89.866 -2.596 19.168 1.00 0.00 O ATOM 1025 CB SER A 64 89.878 -2.238 15.846 1.00 0.00 C ATOM 1026 OG SER A 64 88.526 -2.301 16.283 1.00 0.00 O ATOM 0 H SER A 64 92.362 -2.368 15.666 1.00 0.00 H new ATOM 0 HA SER A 64 90.637 -0.946 17.408 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.995 -1.451 15.101 1.00 0.00 H new ATOM 0 HB3 SER A 64 90.162 -3.175 15.368 1.00 0.00 H new ATOM 0 HG SER A 64 87.942 -2.475 15.516 1.00 0.00 H new ATOM 1032 N ASN A 65 90.759 -4.207 17.973 1.00 0.00 N ATOM 1033 CA ASN A 65 90.436 -5.223 19.015 1.00 0.00 C ATOM 1034 C ASN A 65 91.384 -6.415 18.872 1.00 0.00 C ATOM 1035 O ASN A 65 92.113 -6.526 17.905 1.00 0.00 O ATOM 1036 CB ASN A 65 88.988 -5.686 18.840 1.00 0.00 C ATOM 1037 CG ASN A 65 88.042 -4.549 19.232 1.00 0.00 C ATOM 1038 OD1 ASN A 65 87.255 -4.094 18.426 1.00 0.00 O ATOM 1039 ND2 ASN A 65 88.085 -4.070 20.445 1.00 0.00 N ATOM 0 H ASN A 65 91.235 -4.569 17.147 1.00 0.00 H new ATOM 0 HA ASN A 65 90.556 -4.786 20.006 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.811 -5.981 17.806 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.797 -6.563 19.459 1.00 0.00 H new ATOM 0 HD21 ASN A 65 87.458 -3.313 20.717 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.746 -4.452 21.121 1.00 0.00 H new ATOM 1046 N ARG A 66 91.390 -7.302 19.829 1.00 0.00 N ATOM 1047 CA ARG A 66 92.303 -8.478 19.744 1.00 0.00 C ATOM 1048 C ARG A 66 91.979 -9.292 18.489 1.00 0.00 C ATOM 1049 O ARG A 66 92.863 -9.781 17.815 1.00 0.00 O ATOM 1050 CB ARG A 66 92.137 -9.366 20.981 1.00 0.00 C ATOM 1051 CG ARG A 66 92.639 -8.619 22.219 1.00 0.00 C ATOM 1052 CD ARG A 66 92.550 -9.535 23.443 1.00 0.00 C ATOM 1053 NE ARG A 66 91.121 -9.829 23.742 1.00 0.00 N ATOM 1054 CZ ARG A 66 90.809 -10.799 24.559 1.00 0.00 C ATOM 1055 NH1 ARG A 66 91.748 -11.533 25.092 1.00 0.00 N ATOM 1056 NH2 ARG A 66 89.557 -11.035 24.842 1.00 0.00 N ATOM 0 H ARG A 66 90.805 -7.264 20.663 1.00 0.00 H new ATOM 0 HA ARG A 66 93.332 -8.122 19.695 1.00 0.00 H new ATOM 0 HB2 ARG A 66 91.089 -9.638 21.108 1.00 0.00 H new ATOM 0 HB3 ARG A 66 92.694 -10.294 20.853 1.00 0.00 H new ATOM 0 HG2 ARG A 66 93.669 -8.296 22.068 1.00 0.00 H new ATOM 0 HG3 ARG A 66 92.043 -7.721 22.380 1.00 0.00 H new ATOM 0 HD2 ARG A 66 93.092 -10.462 23.256 1.00 0.00 H new ATOM 0 HD3 ARG A 66 93.021 -9.058 24.302 1.00 0.00 H new ATOM 0 HE ARG A 66 90.385 -9.272 23.308 1.00 0.00 H new ATOM 0 HH11 ARG A 66 92.727 -11.349 24.870 1.00 0.00 H new ATOM 0 HH12 ARG A 66 91.503 -12.290 25.730 1.00 0.00 H new ATOM 0 HH21 ARG A 66 88.823 -10.462 24.425 1.00 0.00 H new ATOM 0 HH22 ARG A 66 89.312 -11.792 25.480 1.00 0.00 H new ATOM 1070 N ASP A 67 90.720 -9.450 18.171 1.00 0.00 N ATOM 1071 CA ASP A 67 90.348 -10.244 16.960 1.00 0.00 C ATOM 1072 C ASP A 67 89.065 -9.680 16.335 1.00 0.00 C ATOM 1073 O ASP A 67 87.990 -9.781 16.895 1.00 0.00 O ATOM 1074 CB ASP A 67 90.124 -11.704 17.364 1.00 0.00 C ATOM 1075 CG ASP A 67 89.882 -12.549 16.113 1.00 0.00 C ATOM 1076 OD1 ASP A 67 89.529 -11.978 15.095 1.00 0.00 O ATOM 1077 OD2 ASP A 67 90.053 -13.755 16.196 1.00 0.00 O ATOM 0 H ASP A 67 89.935 -9.065 18.696 1.00 0.00 H new ATOM 0 HA ASP A 67 91.153 -10.184 16.228 1.00 0.00 H new ATOM 0 HB2 ASP A 67 90.992 -12.079 17.907 1.00 0.00 H new ATOM 0 HB3 ASP A 67 89.270 -11.779 18.037 1.00 0.00 H new ATOM 1082 N ASN A 68 89.177 -9.099 15.171 1.00 0.00 N ATOM 1083 CA ASN A 68 87.982 -8.536 14.481 1.00 0.00 C ATOM 1084 C ASN A 68 88.306 -8.397 12.993 1.00 0.00 C ATOM 1085 O ASN A 68 88.485 -7.310 12.487 1.00 0.00 O ATOM 1086 CB ASN A 68 87.643 -7.159 15.059 1.00 0.00 C ATOM 1087 CG ASN A 68 86.311 -6.675 14.481 1.00 0.00 C ATOM 1088 OD1 ASN A 68 85.476 -7.472 14.099 1.00 0.00 O ATOM 1089 ND2 ASN A 68 86.076 -5.394 14.394 1.00 0.00 N ATOM 0 H ASN A 68 90.055 -8.990 14.664 1.00 0.00 H new ATOM 0 HA ASN A 68 87.127 -9.197 14.624 1.00 0.00 H new ATOM 0 HB2 ASN A 68 87.581 -7.215 16.146 1.00 0.00 H new ATOM 0 HB3 ASN A 68 88.434 -6.448 14.821 1.00 0.00 H new ATOM 0 HD21 ASN A 68 85.193 -5.063 14.006 1.00 0.00 H new ATOM 0 HD22 ASN A 68 86.776 -4.724 14.714 1.00 0.00 H new ATOM 1096 N GLU A 69 88.400 -9.501 12.302 1.00 0.00 N ATOM 1097 CA GLU A 69 88.731 -9.466 10.844 1.00 0.00 C ATOM 1098 C GLU A 69 87.862 -8.437 10.117 1.00 0.00 C ATOM 1099 O GLU A 69 87.062 -7.738 10.704 1.00 0.00 O ATOM 1100 CB GLU A 69 88.527 -10.850 10.214 1.00 0.00 C ATOM 1101 CG GLU A 69 87.258 -11.492 10.755 1.00 0.00 C ATOM 1102 CD GLU A 69 86.044 -10.630 10.402 1.00 0.00 C ATOM 1103 OE1 GLU A 69 85.874 -10.333 9.231 1.00 0.00 O ATOM 1104 OE2 GLU A 69 85.305 -10.280 11.308 1.00 0.00 O ATOM 0 H GLU A 69 88.261 -10.435 12.687 1.00 0.00 H new ATOM 0 HA GLU A 69 89.778 -9.179 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.463 -10.758 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 69 89.386 -11.486 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 69 87.139 -12.491 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 69 87.331 -11.606 11.837 1.00 0.00 H new ATOM 1111 N VAL A 70 88.044 -8.342 8.831 1.00 0.00 N ATOM 1112 CA VAL A 70 87.289 -7.367 8.008 1.00 0.00 C ATOM 1113 C VAL A 70 86.231 -8.083 7.186 1.00 0.00 C ATOM 1114 O VAL A 70 86.496 -8.603 6.120 1.00 0.00 O ATOM 1115 CB VAL A 70 88.289 -6.698 7.059 1.00 0.00 C ATOM 1116 CG1 VAL A 70 87.722 -5.389 6.538 1.00 0.00 C ATOM 1117 CG2 VAL A 70 89.607 -6.436 7.796 1.00 0.00 C ATOM 0 H VAL A 70 88.703 -8.916 8.305 1.00 0.00 H new ATOM 0 HA VAL A 70 86.797 -6.635 8.648 1.00 0.00 H new ATOM 0 HB VAL A 70 88.474 -7.363 6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 70 88.442 -4.923 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 70 86.794 -5.583 6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 70 87.523 -4.720 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 70 90.315 -5.960 7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 70 89.424 -5.780 8.647 1.00 0.00 H new ATOM 0 HG23 VAL A 70 90.021 -7.381 8.148 1.00 0.00 H new ATOM 1127 N ASP A 71 85.024 -8.057 7.640 1.00 0.00 N ATOM 1128 CA ASP A 71 83.941 -8.676 6.847 1.00 0.00 C ATOM 1129 C ASP A 71 83.757 -7.776 5.632 1.00 0.00 C ATOM 1130 O ASP A 71 84.176 -6.637 5.650 1.00 0.00 O ATOM 1131 CB ASP A 71 82.650 -8.722 7.667 1.00 0.00 C ATOM 1132 CG ASP A 71 82.801 -9.742 8.798 1.00 0.00 C ATOM 1133 OD1 ASP A 71 83.597 -10.654 8.643 1.00 0.00 O ATOM 1134 OD2 ASP A 71 82.118 -9.595 9.798 1.00 0.00 O ATOM 0 H ASP A 71 84.737 -7.636 8.524 1.00 0.00 H new ATOM 0 HA ASP A 71 84.183 -9.699 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 71 82.432 -7.736 8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 71 81.810 -8.993 7.028 1.00 0.00 H new ATOM 1139 N PHE A 72 83.167 -8.245 4.571 1.00 0.00 N ATOM 1140 CA PHE A 72 83.014 -7.362 3.388 1.00 0.00 C ATOM 1141 C PHE A 72 82.420 -6.028 3.840 1.00 0.00 C ATOM 1142 O PHE A 72 82.775 -4.975 3.349 1.00 0.00 O ATOM 1143 CB PHE A 72 82.079 -8.010 2.373 1.00 0.00 C ATOM 1144 CG PHE A 72 82.111 -7.192 1.114 1.00 0.00 C ATOM 1145 CD1 PHE A 72 81.305 -6.057 0.999 1.00 0.00 C ATOM 1146 CD2 PHE A 72 82.957 -7.563 0.066 1.00 0.00 C ATOM 1147 CE1 PHE A 72 81.346 -5.288 -0.167 1.00 0.00 C ATOM 1148 CE2 PHE A 72 82.997 -6.798 -1.100 1.00 0.00 C ATOM 1149 CZ PHE A 72 82.193 -5.657 -1.219 1.00 0.00 C ATOM 0 H PHE A 72 82.789 -9.187 4.473 1.00 0.00 H new ATOM 0 HA PHE A 72 83.988 -7.202 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 72 82.391 -9.034 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 72 81.064 -8.059 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 72 80.651 -5.774 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 72 83.579 -8.441 0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 72 80.725 -4.409 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 72 83.649 -7.086 -1.912 1.00 0.00 H new ATOM 0 HZ PHE A 72 82.226 -5.063 -2.120 1.00 0.00 H new ATOM 1159 N GLN A 73 81.517 -6.072 4.774 1.00 0.00 N ATOM 1160 CA GLN A 73 80.893 -4.819 5.267 1.00 0.00 C ATOM 1161 C GLN A 73 81.932 -3.941 5.979 1.00 0.00 C ATOM 1162 O GLN A 73 81.928 -2.737 5.828 1.00 0.00 O ATOM 1163 CB GLN A 73 79.768 -5.176 6.242 1.00 0.00 C ATOM 1164 CG GLN A 73 79.041 -3.904 6.678 1.00 0.00 C ATOM 1165 CD GLN A 73 77.811 -4.281 7.505 1.00 0.00 C ATOM 1166 OE1 GLN A 73 77.400 -5.424 7.516 1.00 0.00 O ATOM 1167 NE2 GLN A 73 77.205 -3.363 8.206 1.00 0.00 N ATOM 0 H GLN A 73 81.183 -6.927 5.219 1.00 0.00 H new ATOM 0 HA GLN A 73 80.494 -4.262 4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 73 79.067 -5.863 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 73 80.177 -5.689 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 73 79.709 -3.273 7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 73 78.742 -3.325 5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 73 77.550 -2.403 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 73 76.386 -3.605 8.764 1.00 0.00 H new ATOM 1176 N GLU A 74 82.823 -4.512 6.757 1.00 0.00 N ATOM 1177 CA GLU A 74 83.828 -3.668 7.456 1.00 0.00 C ATOM 1178 C GLU A 74 84.816 -3.100 6.445 1.00 0.00 C ATOM 1179 O GLU A 74 85.244 -1.968 6.550 1.00 0.00 O ATOM 1180 CB GLU A 74 84.563 -4.506 8.496 1.00 0.00 C ATOM 1181 CG GLU A 74 83.606 -4.840 9.640 1.00 0.00 C ATOM 1182 CD GLU A 74 84.334 -5.683 10.687 1.00 0.00 C ATOM 1183 OE1 GLU A 74 85.500 -5.974 10.477 1.00 0.00 O ATOM 1184 OE2 GLU A 74 83.714 -6.019 11.682 1.00 0.00 O ATOM 0 H GLU A 74 82.893 -5.514 6.933 1.00 0.00 H new ATOM 0 HA GLU A 74 83.323 -2.842 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 74 84.940 -5.422 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 74 85.427 -3.960 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 74 83.231 -3.923 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 74 82.742 -5.383 9.258 1.00 0.00 H new ATOM 1191 N TYR A 75 85.183 -3.868 5.462 1.00 0.00 N ATOM 1192 CA TYR A 75 86.140 -3.345 4.457 1.00 0.00 C ATOM 1193 C TYR A 75 85.513 -2.120 3.800 1.00 0.00 C ATOM 1194 O TYR A 75 86.170 -1.129 3.546 1.00 0.00 O ATOM 1195 CB TYR A 75 86.419 -4.409 3.392 1.00 0.00 C ATOM 1196 CG TYR A 75 87.363 -3.841 2.356 1.00 0.00 C ATOM 1197 CD1 TYR A 75 88.719 -3.666 2.662 1.00 0.00 C ATOM 1198 CD2 TYR A 75 86.880 -3.486 1.089 1.00 0.00 C ATOM 1199 CE1 TYR A 75 89.590 -3.136 1.701 1.00 0.00 C ATOM 1200 CE2 TYR A 75 87.751 -2.958 0.130 1.00 0.00 C ATOM 1201 CZ TYR A 75 89.106 -2.783 0.435 1.00 0.00 C ATOM 1202 OH TYR A 75 89.965 -2.260 -0.512 1.00 0.00 O ATOM 0 H TYR A 75 84.865 -4.826 5.312 1.00 0.00 H new ATOM 0 HA TYR A 75 87.081 -3.082 4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 75 86.856 -5.295 3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 75 85.487 -4.721 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.093 -3.939 3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 75 85.835 -3.620 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 75 90.635 -3.000 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.378 -2.685 -0.846 1.00 0.00 H new ATOM 0 HH TYR A 75 89.538 -2.291 -1.394 1.00 0.00 H new ATOM 1212 N CYS A 76 84.239 -2.181 3.536 1.00 0.00 N ATOM 1213 CA CYS A 76 83.546 -1.030 2.912 1.00 0.00 C ATOM 1214 C CYS A 76 83.462 0.105 3.927 1.00 0.00 C ATOM 1215 O CYS A 76 83.653 1.257 3.591 1.00 0.00 O ATOM 1216 CB CYS A 76 82.134 -1.459 2.492 1.00 0.00 C ATOM 1217 SG CYS A 76 81.516 -0.333 1.217 1.00 0.00 S ATOM 0 H CYS A 76 83.646 -2.988 3.729 1.00 0.00 H new ATOM 0 HA CYS A 76 84.095 -0.692 2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 76 82.150 -2.481 2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 76 81.468 -1.450 3.355 1.00 0.00 H new ATOM 0 HG CYS A 76 81.601 0.893 1.642 1.00 0.00 H new ATOM 1223 N VAL A 77 83.197 -0.199 5.173 1.00 0.00 N ATOM 1224 CA VAL A 77 83.133 0.894 6.173 1.00 0.00 C ATOM 1225 C VAL A 77 84.495 1.573 6.187 1.00 0.00 C ATOM 1226 O VAL A 77 84.602 2.782 6.240 1.00 0.00 O ATOM 1227 CB VAL A 77 82.807 0.324 7.557 1.00 0.00 C ATOM 1228 CG1 VAL A 77 82.985 1.418 8.617 1.00 0.00 C ATOM 1229 CG2 VAL A 77 81.357 -0.177 7.571 1.00 0.00 C ATOM 0 H VAL A 77 83.026 -1.139 5.530 1.00 0.00 H new ATOM 0 HA VAL A 77 82.351 1.609 5.916 1.00 0.00 H new ATOM 0 HB VAL A 77 83.480 -0.504 7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 77 82.753 1.012 9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 77 84.016 1.773 8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 77 82.313 2.248 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 77 81.122 -0.583 8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 77 80.684 0.651 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 77 81.234 -0.955 6.818 1.00 0.00 H new ATOM 1239 N PHE A 78 85.545 0.800 6.109 1.00 0.00 N ATOM 1240 CA PHE A 78 86.898 1.406 6.086 1.00 0.00 C ATOM 1241 C PHE A 78 87.087 2.122 4.749 1.00 0.00 C ATOM 1242 O PHE A 78 87.634 3.202 4.694 1.00 0.00 O ATOM 1243 CB PHE A 78 87.974 0.326 6.268 1.00 0.00 C ATOM 1244 CG PHE A 78 87.939 -0.213 7.689 1.00 0.00 C ATOM 1245 CD1 PHE A 78 88.132 0.649 8.783 1.00 0.00 C ATOM 1246 CD2 PHE A 78 87.710 -1.578 7.916 1.00 0.00 C ATOM 1247 CE1 PHE A 78 88.093 0.144 10.089 1.00 0.00 C ATOM 1248 CE2 PHE A 78 87.677 -2.079 9.224 1.00 0.00 C ATOM 1249 CZ PHE A 78 87.868 -1.218 10.308 1.00 0.00 C ATOM 0 H PHE A 78 85.520 -0.219 6.061 1.00 0.00 H new ATOM 0 HA PHE A 78 86.995 2.118 6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 78 87.809 -0.485 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.958 0.742 6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.310 1.701 8.616 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.559 -2.245 7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.237 0.808 10.928 1.00 0.00 H new ATOM 0 HE2 PHE A 78 87.504 -3.131 9.395 1.00 0.00 H new ATOM 0 HZ PHE A 78 87.842 -1.605 11.316 1.00 0.00 H new ATOM 1259 N LEU A 79 86.622 1.546 3.665 1.00 0.00 N ATOM 1260 CA LEU A 79 86.773 2.237 2.349 1.00 0.00 C ATOM 1261 C LEU A 79 85.873 3.472 2.352 1.00 0.00 C ATOM 1262 O LEU A 79 86.207 4.507 1.817 1.00 0.00 O ATOM 1263 CB LEU A 79 86.370 1.294 1.214 1.00 0.00 C ATOM 1264 CG LEU A 79 86.702 1.926 -0.147 1.00 0.00 C ATOM 1265 CD1 LEU A 79 88.232 2.077 -0.316 1.00 0.00 C ATOM 1266 CD2 LEU A 79 86.140 1.028 -1.259 1.00 0.00 C ATOM 0 H LEU A 79 86.152 0.641 3.636 1.00 0.00 H new ATOM 0 HA LEU A 79 87.811 2.532 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.893 0.343 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.303 1.079 1.272 1.00 0.00 H new ATOM 0 HG LEU A 79 86.253 2.917 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 79 88.448 2.526 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 79 88.624 2.716 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 79 88.703 1.096 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.369 1.466 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.592 0.039 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 79 85.059 0.942 -1.146 1.00 0.00 H new ATOM 1278 N SER A 80 84.738 3.374 2.976 1.00 0.00 N ATOM 1279 CA SER A 80 83.826 4.544 3.044 1.00 0.00 C ATOM 1280 C SER A 80 84.579 5.660 3.749 1.00 0.00 C ATOM 1281 O SER A 80 84.524 6.812 3.366 1.00 0.00 O ATOM 1282 CB SER A 80 82.572 4.179 3.841 1.00 0.00 C ATOM 1283 OG SER A 80 81.785 3.266 3.088 1.00 0.00 O ATOM 0 H SER A 80 84.401 2.532 3.443 1.00 0.00 H new ATOM 0 HA SER A 80 83.518 4.855 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 80 82.851 3.734 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 80 81.995 5.076 4.064 1.00 0.00 H new ATOM 0 HG SER A 80 81.771 3.544 2.148 1.00 0.00 H new ATOM 1289 N CYS A 81 85.317 5.309 4.765 1.00 0.00 N ATOM 1290 CA CYS A 81 86.116 6.326 5.485 1.00 0.00 C ATOM 1291 C CYS A 81 87.113 6.917 4.496 1.00 0.00 C ATOM 1292 O CYS A 81 87.456 8.082 4.566 1.00 0.00 O ATOM 1293 CB CYS A 81 86.866 5.673 6.649 1.00 0.00 C ATOM 1294 SG CYS A 81 85.678 4.890 7.768 1.00 0.00 S ATOM 0 H CYS A 81 85.398 4.358 5.125 1.00 0.00 H new ATOM 0 HA CYS A 81 85.468 7.104 5.887 1.00 0.00 H new ATOM 0 HB2 CYS A 81 87.570 4.931 6.272 1.00 0.00 H new ATOM 0 HB3 CYS A 81 87.449 6.421 7.186 1.00 0.00 H new ATOM 0 HG CYS A 81 85.249 3.783 7.239 1.00 0.00 H new ATOM 1300 N ILE A 82 87.575 6.127 3.557 1.00 0.00 N ATOM 1301 CA ILE A 82 88.542 6.683 2.560 1.00 0.00 C ATOM 1302 C ILE A 82 87.804 7.665 1.664 1.00 0.00 C ATOM 1303 O ILE A 82 88.305 8.720 1.336 1.00 0.00 O ATOM 1304 CB ILE A 82 89.135 5.569 1.689 1.00 0.00 C ATOM 1305 CG1 ILE A 82 89.907 4.563 2.560 1.00 0.00 C ATOM 1306 CG2 ILE A 82 90.067 6.180 0.637 1.00 0.00 C ATOM 1307 CD1 ILE A 82 91.004 5.265 3.369 1.00 0.00 C ATOM 0 H ILE A 82 87.331 5.144 3.438 1.00 0.00 H new ATOM 0 HA ILE A 82 89.354 7.176 3.095 1.00 0.00 H new ATOM 0 HB ILE A 82 88.324 5.041 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 82 89.218 4.058 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 82 90.352 3.795 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.488 5.387 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.504 6.870 0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.874 6.719 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.534 4.531 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 82 91.705 5.748 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 82 90.553 6.015 4.018 1.00 0.00 H new ATOM 1319 N ALA A 83 86.611 7.339 1.268 1.00 0.00 N ATOM 1320 CA ALA A 83 85.862 8.284 0.402 1.00 0.00 C ATOM 1321 C ALA A 83 85.684 9.599 1.153 1.00 0.00 C ATOM 1322 O ALA A 83 85.994 10.657 0.650 1.00 0.00 O ATOM 1323 CB ALA A 83 84.490 7.712 0.067 1.00 0.00 C ATOM 0 H ALA A 83 86.127 6.472 1.502 1.00 0.00 H new ATOM 0 HA ALA A 83 86.416 8.446 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 83 83.949 8.413 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 83 84.609 6.764 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 83 83.929 7.549 0.987 1.00 0.00 H new ATOM 1329 N MET A 84 85.200 9.537 2.365 1.00 0.00 N ATOM 1330 CA MET A 84 85.013 10.786 3.154 1.00 0.00 C ATOM 1331 C MET A 84 86.371 11.414 3.403 1.00 0.00 C ATOM 1332 O MET A 84 86.507 12.621 3.457 1.00 0.00 O ATOM 1333 CB MET A 84 84.318 10.472 4.479 1.00 0.00 C ATOM 1334 CG MET A 84 82.864 10.081 4.202 1.00 0.00 C ATOM 1335 SD MET A 84 82.026 9.706 5.763 1.00 0.00 S ATOM 1336 CE MET A 84 82.981 8.230 6.194 1.00 0.00 C ATOM 0 H MET A 84 84.927 8.677 2.841 1.00 0.00 H new ATOM 0 HA MET A 84 84.386 11.484 2.599 1.00 0.00 H new ATOM 0 HB2 MET A 84 84.835 9.660 4.991 1.00 0.00 H new ATOM 0 HB3 MET A 84 84.355 11.340 5.138 1.00 0.00 H new ATOM 0 HG2 MET A 84 82.350 10.893 3.688 1.00 0.00 H new ATOM 0 HG3 MET A 84 82.830 9.214 3.542 1.00 0.00 H new ATOM 0 HE1 MET A 84 82.375 7.574 6.819 1.00 0.00 H new ATOM 0 HE2 MET A 84 83.266 7.702 5.284 1.00 0.00 H new ATOM 0 HE3 MET A 84 83.878 8.523 6.739 1.00 0.00 H new ATOM 1346 N MET A 85 87.392 10.615 3.518 1.00 0.00 N ATOM 1347 CA MET A 85 88.740 11.193 3.718 1.00 0.00 C ATOM 1348 C MET A 85 88.992 12.097 2.517 1.00 0.00 C ATOM 1349 O MET A 85 89.677 13.095 2.602 1.00 0.00 O ATOM 1350 CB MET A 85 89.786 10.074 3.773 1.00 0.00 C ATOM 1351 CG MET A 85 91.147 10.646 4.179 1.00 0.00 C ATOM 1352 SD MET A 85 92.363 9.305 4.237 1.00 0.00 S ATOM 1353 CE MET A 85 93.806 10.316 4.647 1.00 0.00 C ATOM 0 H MET A 85 87.350 9.597 3.482 1.00 0.00 H new ATOM 0 HA MET A 85 88.806 11.749 4.653 1.00 0.00 H new ATOM 0 HB2 MET A 85 89.476 9.311 4.487 1.00 0.00 H new ATOM 0 HB3 MET A 85 89.862 9.589 2.800 1.00 0.00 H new ATOM 0 HG2 MET A 85 91.462 11.408 3.466 1.00 0.00 H new ATOM 0 HG3 MET A 85 91.075 11.131 5.153 1.00 0.00 H new ATOM 0 HE1 MET A 85 94.685 9.677 4.732 1.00 0.00 H new ATOM 0 HE2 MET A 85 93.968 11.054 3.861 1.00 0.00 H new ATOM 0 HE3 MET A 85 93.635 10.827 5.595 1.00 0.00 H new ATOM 1363 N CYS A 86 88.395 11.761 1.395 1.00 0.00 N ATOM 1364 CA CYS A 86 88.552 12.612 0.184 1.00 0.00 C ATOM 1365 C CYS A 86 87.331 12.445 -0.724 1.00 0.00 C ATOM 1366 O CYS A 86 87.429 11.947 -1.828 1.00 0.00 O ATOM 1367 CB CYS A 86 89.821 12.212 -0.572 1.00 0.00 C ATOM 1368 SG CYS A 86 90.161 13.428 -1.871 1.00 0.00 S ATOM 0 H CYS A 86 87.809 10.935 1.272 1.00 0.00 H new ATOM 0 HA CYS A 86 88.634 13.656 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 86 90.664 12.155 0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 86 89.699 11.221 -1.010 1.00 0.00 H new ATOM 0 HG CYS A 86 91.240 13.089 -2.511 1.00 0.00 H new ATOM 1374 N ASN A 87 86.178 12.865 -0.267 1.00 0.00 N ATOM 1375 CA ASN A 87 84.939 12.742 -1.099 1.00 0.00 C ATOM 1376 C ASN A 87 84.682 14.054 -1.842 1.00 0.00 C ATOM 1377 O ASN A 87 84.531 14.077 -3.047 1.00 0.00 O ATOM 1378 CB ASN A 87 83.734 12.445 -0.198 1.00 0.00 C ATOM 1379 CG ASN A 87 82.463 12.404 -1.050 1.00 0.00 C ATOM 1380 OD1 ASN A 87 82.515 12.111 -2.227 1.00 0.00 O ATOM 1381 ND2 ASN A 87 81.313 12.690 -0.500 1.00 0.00 N ATOM 0 H ASN A 87 86.040 13.290 0.650 1.00 0.00 H new ATOM 0 HA ASN A 87 85.076 11.931 -1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 87 83.874 11.493 0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 87 83.644 13.210 0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 87 80.460 12.667 -1.059 1.00 0.00 H new ATOM 0 HD22 ASN A 87 81.268 12.936 0.489 1.00 0.00 H new ATOM 1388 N GLU A 88 84.614 15.149 -1.128 1.00 0.00 N ATOM 1389 CA GLU A 88 84.348 16.464 -1.787 1.00 0.00 C ATOM 1390 C GLU A 88 85.667 17.167 -2.121 1.00 0.00 C ATOM 1391 O GLU A 88 86.465 17.483 -1.261 1.00 0.00 O ATOM 1392 CB GLU A 88 83.517 17.350 -0.848 1.00 0.00 C ATOM 1393 CG GLU A 88 84.024 17.198 0.589 1.00 0.00 C ATOM 1394 CD GLU A 88 83.463 15.915 1.218 1.00 0.00 C ATOM 1395 OE1 GLU A 88 82.382 15.505 0.828 1.00 0.00 O ATOM 1396 OE2 GLU A 88 84.127 15.366 2.082 1.00 0.00 O ATOM 0 H GLU A 88 84.731 15.189 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 88 83.797 16.291 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 88 83.586 18.392 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 88 82.465 17.070 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 88 85.114 17.169 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 88 83.724 18.063 1.181 1.00 0.00 H new ATOM 1403 N PHE A 89 85.882 17.424 -3.372 1.00 0.00 N ATOM 1404 CA PHE A 89 87.122 18.126 -3.808 1.00 0.00 C ATOM 1405 C PHE A 89 87.082 19.592 -3.369 1.00 0.00 C ATOM 1406 O PHE A 89 88.085 20.166 -2.993 1.00 0.00 O ATOM 1407 CB PHE A 89 87.235 18.046 -5.332 1.00 0.00 C ATOM 1408 CG PHE A 89 87.541 16.624 -5.737 1.00 0.00 C ATOM 1409 CD1 PHE A 89 86.499 15.725 -5.992 1.00 0.00 C ATOM 1410 CD2 PHE A 89 88.872 16.206 -5.861 1.00 0.00 C ATOM 1411 CE1 PHE A 89 86.788 14.407 -6.367 1.00 0.00 C ATOM 1412 CE2 PHE A 89 89.160 14.888 -6.237 1.00 0.00 C ATOM 1413 CZ PHE A 89 88.118 13.989 -6.489 1.00 0.00 C ATOM 0 H PHE A 89 85.244 17.176 -4.128 1.00 0.00 H new ATOM 0 HA PHE A 89 87.987 17.647 -3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 89 86.305 18.376 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 89 88.021 18.714 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 89 85.472 16.048 -5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 89 89.676 16.900 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 89 85.984 13.713 -6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 89 90.186 14.566 -6.332 1.00 0.00 H new ATOM 0 HZ PHE A 89 88.340 12.972 -6.778 1.00 0.00 H new ATOM 1423 N PHE A 90 85.933 20.208 -3.442 1.00 0.00 N ATOM 1424 CA PHE A 90 85.819 21.649 -3.062 1.00 0.00 C ATOM 1425 C PHE A 90 85.603 21.801 -1.554 1.00 0.00 C ATOM 1426 O PHE A 90 86.462 22.276 -0.839 1.00 0.00 O ATOM 1427 CB PHE A 90 84.625 22.259 -3.795 1.00 0.00 C ATOM 1428 CG PHE A 90 84.923 22.326 -5.270 1.00 0.00 C ATOM 1429 CD1 PHE A 90 85.537 23.461 -5.809 1.00 0.00 C ATOM 1430 CD2 PHE A 90 84.585 21.252 -6.100 1.00 0.00 C ATOM 1431 CE1 PHE A 90 85.814 23.523 -7.179 1.00 0.00 C ATOM 1432 CE2 PHE A 90 84.861 21.312 -7.469 1.00 0.00 C ATOM 1433 CZ PHE A 90 85.476 22.447 -8.010 1.00 0.00 C ATOM 0 H PHE A 90 85.063 19.774 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 90 86.743 22.158 -3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 90 83.732 21.659 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 90 84.419 23.257 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 90 85.797 24.290 -5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 90 84.111 20.376 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 90 86.288 24.400 -7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 90 84.600 20.483 -8.109 1.00 0.00 H new ATOM 0 HZ PHE A 90 85.690 22.493 -9.068 1.00 0.00 H new ATOM 1443 N GLU A 91 84.453 21.422 -1.074 1.00 0.00 N ATOM 1444 CA GLU A 91 84.169 21.567 0.384 1.00 0.00 C ATOM 1445 C GLU A 91 85.185 20.762 1.195 1.00 0.00 C ATOM 1446 O GLU A 91 85.603 19.691 0.801 1.00 0.00 O ATOM 1447 CB GLU A 91 82.751 21.071 0.685 1.00 0.00 C ATOM 1448 CG GLU A 91 82.447 21.249 2.175 1.00 0.00 C ATOM 1449 CD GLU A 91 81.005 20.824 2.458 1.00 0.00 C ATOM 1450 OE1 GLU A 91 80.275 20.604 1.506 1.00 0.00 O ATOM 1451 OE2 GLU A 91 80.655 20.727 3.623 1.00 0.00 O ATOM 0 H GLU A 91 83.696 21.018 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 91 84.248 22.618 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 91 82.027 21.625 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 91 82.656 20.021 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 91 83.137 20.652 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 91 82.594 22.289 2.465 1.00 0.00 H new ATOM 1458 N GLY A 92 85.595 21.283 2.323 1.00 0.00 N ATOM 1459 CA GLY A 92 86.595 20.566 3.166 1.00 0.00 C ATOM 1460 C GLY A 92 86.059 19.188 3.563 1.00 0.00 C ATOM 1461 O GLY A 92 85.306 18.573 2.837 1.00 0.00 O ATOM 0 H GLY A 92 85.278 22.178 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 92 87.531 20.456 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 92 86.814 21.150 4.060 1.00 0.00 H new ATOM 1465 N PHE A 93 86.460 18.690 4.707 1.00 0.00 N ATOM 1466 CA PHE A 93 85.994 17.340 5.162 1.00 0.00 C ATOM 1467 C PHE A 93 84.921 17.491 6.266 1.00 0.00 C ATOM 1468 O PHE A 93 85.256 17.804 7.391 1.00 0.00 O ATOM 1469 CB PHE A 93 87.196 16.594 5.748 1.00 0.00 C ATOM 1470 CG PHE A 93 88.373 16.733 4.812 1.00 0.00 C ATOM 1471 CD1 PHE A 93 88.454 15.938 3.662 1.00 0.00 C ATOM 1472 CD2 PHE A 93 89.381 17.664 5.091 1.00 0.00 C ATOM 1473 CE1 PHE A 93 89.544 16.074 2.792 1.00 0.00 C ATOM 1474 CE2 PHE A 93 90.468 17.802 4.222 1.00 0.00 C ATOM 1475 CZ PHE A 93 90.551 17.006 3.072 1.00 0.00 C ATOM 0 H PHE A 93 87.095 19.163 5.350 1.00 0.00 H new ATOM 0 HA PHE A 93 85.566 16.797 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 93 87.447 16.998 6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 93 86.952 15.541 5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 93 87.677 15.220 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 93 89.319 18.276 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 93 89.607 15.460 1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 93 91.243 18.522 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 93 91.391 17.111 2.402 1.00 0.00 H new ATOM 1485 N PRO A 94 83.647 17.260 5.986 1.00 0.00 N ATOM 1486 CA PRO A 94 82.603 17.379 7.051 1.00 0.00 C ATOM 1487 C PRO A 94 82.879 16.427 8.229 1.00 0.00 C ATOM 1488 O PRO A 94 84.012 16.200 8.600 1.00 0.00 O ATOM 1489 CB PRO A 94 81.309 17.002 6.297 1.00 0.00 C ATOM 1490 CG PRO A 94 81.626 16.963 4.793 1.00 0.00 C ATOM 1491 CD PRO A 94 83.152 16.885 4.628 1.00 0.00 C ATOM 0 HA PRO A 94 82.562 18.368 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 94 80.941 16.033 6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 94 80.524 17.730 6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 94 81.148 16.102 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 94 81.235 17.852 4.298 1.00 0.00 H new ATOM 0 HD2 PRO A 94 83.478 15.886 4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 94 83.512 17.571 3.862 1.00 0.00 H new ATOM 1499 N ASP A 95 81.854 15.863 8.814 1.00 0.00 N ATOM 1500 CA ASP A 95 82.077 14.926 9.951 1.00 0.00 C ATOM 1501 C ASP A 95 82.539 13.574 9.406 1.00 0.00 C ATOM 1502 O ASP A 95 81.839 12.924 8.655 1.00 0.00 O ATOM 1503 CB ASP A 95 80.771 14.739 10.730 1.00 0.00 C ATOM 1504 CG ASP A 95 80.428 16.028 11.479 1.00 0.00 C ATOM 1505 OD1 ASP A 95 81.331 16.820 11.697 1.00 0.00 O ATOM 1506 OD2 ASP A 95 79.272 16.198 11.829 1.00 0.00 O ATOM 0 H ASP A 95 80.879 16.010 8.554 1.00 0.00 H new ATOM 0 HA ASP A 95 82.838 15.336 10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 95 79.963 14.478 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 95 80.872 13.913 11.435 1.00 0.00 H new ATOM 1511 N LYS A 96 83.714 13.143 9.781 1.00 0.00 N ATOM 1512 CA LYS A 96 84.230 11.831 9.290 1.00 0.00 C ATOM 1513 C LYS A 96 83.849 10.736 10.289 1.00 0.00 C ATOM 1514 O LYS A 96 83.860 9.562 9.975 1.00 0.00 O ATOM 1515 CB LYS A 96 85.755 11.911 9.160 1.00 0.00 C ATOM 1516 CG LYS A 96 86.292 10.634 8.508 1.00 0.00 C ATOM 1517 CD LYS A 96 87.817 10.729 8.386 1.00 0.00 C ATOM 1518 CE LYS A 96 88.351 9.526 7.604 1.00 0.00 C ATOM 1519 NZ LYS A 96 89.809 9.372 7.867 1.00 0.00 N ATOM 0 H LYS A 96 84.342 13.645 10.409 1.00 0.00 H new ATOM 0 HA LYS A 96 83.796 11.597 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 96 86.032 12.779 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 96 86.206 12.044 10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 96 86.017 9.764 9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 96 85.845 10.499 7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 96 88.094 11.654 7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 96 88.269 10.760 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 96 87.820 8.621 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 96 88.175 9.665 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 90.173 8.555 7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 90.309 10.232 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 89.964 9.221 8.884 1.00 0.00 H new ATOM 1533 N GLN A 97 83.507 11.114 11.493 1.00 0.00 N ATOM 1534 CA GLN A 97 83.119 10.101 12.519 1.00 0.00 C ATOM 1535 C GLN A 97 81.611 9.809 12.397 1.00 0.00 C ATOM 1536 O GLN A 97 80.851 10.684 12.034 1.00 0.00 O ATOM 1537 CB GLN A 97 83.411 10.664 13.913 1.00 0.00 C ATOM 1538 CG GLN A 97 84.923 10.715 14.143 1.00 0.00 C ATOM 1539 CD GLN A 97 85.212 11.400 15.481 1.00 0.00 C ATOM 1540 OE1 GLN A 97 84.247 12.015 16.109 1.00 0.00 O flip ATOM 1541 NE2 GLN A 97 86.329 11.375 15.960 1.00 0.00 N flip ATOM 0 H GLN A 97 83.480 12.083 11.811 1.00 0.00 H new ATOM 0 HA GLN A 97 83.685 9.183 12.365 1.00 0.00 H new ATOM 0 HB2 GLN A 97 82.985 11.663 14.009 1.00 0.00 H new ATOM 0 HB3 GLN A 97 82.939 10.042 14.673 1.00 0.00 H new ATOM 0 HG2 GLN A 97 85.336 9.706 14.142 1.00 0.00 H new ATOM 0 HG3 GLN A 97 85.407 11.259 13.332 1.00 0.00 H new ATOM 0 HE21 GLN A 97 87.083 10.895 15.470 1.00 0.00 H new ATOM 0 HE22 GLN A 97 86.512 11.834 16.852 1.00 0.00 H new ATOM 1550 N PRO A 98 81.161 8.607 12.706 1.00 0.00 N ATOM 1551 CA PRO A 98 79.704 8.298 12.616 1.00 0.00 C ATOM 1552 C PRO A 98 78.884 9.165 13.586 1.00 0.00 C ATOM 1553 O PRO A 98 78.380 10.209 13.224 1.00 0.00 O ATOM 1554 CB PRO A 98 79.652 6.802 12.994 1.00 0.00 C ATOM 1555 CG PRO A 98 81.030 6.400 13.550 1.00 0.00 C ATOM 1556 CD PRO A 98 82.042 7.489 13.156 1.00 0.00 C ATOM 0 HA PRO A 98 79.275 8.506 11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 98 78.875 6.624 13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 98 79.403 6.198 12.122 1.00 0.00 H new ATOM 0 HG2 PRO A 98 80.987 6.295 14.634 1.00 0.00 H new ATOM 0 HG3 PRO A 98 81.335 5.434 13.148 1.00 0.00 H new ATOM 0 HD2 PRO A 98 82.670 7.782 13.997 1.00 0.00 H new ATOM 0 HD3 PRO A 98 82.709 7.154 12.362 1.00 0.00 H new ATOM 1564 N ARG A 99 78.758 8.746 14.816 1.00 0.00 N ATOM 1565 CA ARG A 99 77.984 9.550 15.805 1.00 0.00 C ATOM 1566 C ARG A 99 78.792 10.795 16.173 1.00 0.00 C ATOM 1567 O ARG A 99 79.998 10.741 16.310 1.00 0.00 O ATOM 1568 CB ARG A 99 77.735 8.712 17.061 1.00 0.00 C ATOM 1569 CG ARG A 99 76.734 7.596 16.744 1.00 0.00 C ATOM 1570 CD ARG A 99 76.492 6.759 18.001 1.00 0.00 C ATOM 1571 NE ARG A 99 75.876 7.614 19.055 1.00 0.00 N ATOM 1572 CZ ARG A 99 75.346 7.065 20.114 1.00 0.00 C ATOM 1573 NH1 ARG A 99 75.391 5.769 20.272 1.00 0.00 N ATOM 1574 NH2 ARG A 99 74.779 7.813 21.021 1.00 0.00 N ATOM 0 H ARG A 99 79.158 7.881 15.179 1.00 0.00 H new ATOM 0 HA ARG A 99 77.027 9.845 15.374 1.00 0.00 H new ATOM 0 HB2 ARG A 99 78.672 8.284 17.416 1.00 0.00 H new ATOM 0 HB3 ARG A 99 77.350 9.344 17.861 1.00 0.00 H new ATOM 0 HG2 ARG A 99 75.795 8.024 16.392 1.00 0.00 H new ATOM 0 HG3 ARG A 99 77.118 6.965 15.942 1.00 0.00 H new ATOM 0 HD2 ARG A 99 75.837 5.918 17.771 1.00 0.00 H new ATOM 0 HD3 ARG A 99 77.433 6.342 18.360 1.00 0.00 H new ATOM 0 HE ARG A 99 75.869 8.628 18.949 1.00 0.00 H new ATOM 0 HH11 ARG A 99 75.841 5.185 19.567 1.00 0.00 H new ATOM 0 HH12 ARG A 99 74.976 5.341 21.100 1.00 0.00 H new ATOM 0 HH21 ARG A 99 74.750 8.826 20.902 1.00 0.00 H new ATOM 0 HH22 ARG A 99 74.365 7.385 21.849 1.00 0.00 H new ATOM 1588 N LYS A 100 78.147 11.920 16.333 1.00 0.00 N ATOM 1589 CA LYS A 100 78.903 13.154 16.686 1.00 0.00 C ATOM 1590 C LYS A 100 79.600 12.948 18.032 1.00 0.00 C ATOM 1591 O LYS A 100 80.728 13.359 18.223 1.00 0.00 O ATOM 1592 CB LYS A 100 77.950 14.353 16.779 1.00 0.00 C ATOM 1593 CG LYS A 100 77.439 14.709 15.380 1.00 0.00 C ATOM 1594 CD LYS A 100 76.486 15.905 15.462 1.00 0.00 C ATOM 1595 CE LYS A 100 75.983 16.249 14.058 1.00 0.00 C ATOM 1596 NZ LYS A 100 75.192 15.103 13.525 1.00 0.00 N ATOM 0 H LYS A 100 77.138 12.037 16.235 1.00 0.00 H new ATOM 0 HA LYS A 100 79.644 13.354 15.912 1.00 0.00 H new ATOM 0 HB2 LYS A 100 77.112 14.115 17.434 1.00 0.00 H new ATOM 0 HB3 LYS A 100 78.465 15.207 17.218 1.00 0.00 H new ATOM 0 HG2 LYS A 100 78.278 14.946 14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 100 76.925 13.853 14.942 1.00 0.00 H new ATOM 0 HD2 LYS A 100 75.645 15.670 16.115 1.00 0.00 H new ATOM 0 HD3 LYS A 100 76.998 16.763 15.898 1.00 0.00 H new ATOM 0 HE2 LYS A 100 75.367 17.148 14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 100 76.825 16.463 13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 74.310 15.457 13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 75.748 14.604 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 74.965 14.447 14.300 1.00 0.00 H new ATOM 1610 N LYS A 101 78.938 12.311 18.968 1.00 0.00 N ATOM 1611 CA LYS A 101 79.552 12.068 20.313 1.00 0.00 C ATOM 1612 C LYS A 101 79.857 10.577 20.475 1.00 0.00 C ATOM 1613 O LYS A 101 79.835 10.106 21.600 1.00 0.00 O ATOM 1614 CB LYS A 101 78.570 12.507 21.399 1.00 0.00 C ATOM 1615 CG LYS A 101 78.428 14.030 21.364 1.00 0.00 C ATOM 1616 CD LYS A 101 77.447 14.485 22.447 1.00 0.00 C ATOM 1617 CE LYS A 101 77.308 16.011 22.410 1.00 0.00 C ATOM 1618 NZ LYS A 101 76.778 16.493 23.716 1.00 0.00 N ATOM 1619 OXT LYS A 101 80.111 9.932 19.471 1.00 0.00 O ATOM 0 H LYS A 101 77.992 11.946 18.857 1.00 0.00 H new ATOM 0 HA LYS A 101 80.477 12.637 20.401 1.00 0.00 H new ATOM 0 HB2 LYS A 101 77.600 12.036 21.241 1.00 0.00 H new ATOM 0 HB3 LYS A 101 78.925 12.185 22.378 1.00 0.00 H new ATOM 0 HG2 LYS A 101 79.400 14.499 21.521 1.00 0.00 H new ATOM 0 HG3 LYS A 101 78.075 14.349 20.383 1.00 0.00 H new ATOM 0 HD2 LYS A 101 76.475 14.018 22.290 1.00 0.00 H new ATOM 0 HD3 LYS A 101 77.799 14.166 23.428 1.00 0.00 H new ATOM 0 HE2 LYS A 101 78.275 16.470 22.206 1.00 0.00 H new ATOM 0 HE3 LYS A 101 76.638 16.306 21.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 76.683 17.528 23.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 75.847 16.064 23.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 77.433 16.223 24.477 1.00 0.00 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 98.085 -4.218 -11.537 1.00 0.00 N ATOM 1635 CA MET B 1 98.970 -3.130 -11.034 1.00 0.00 C ATOM 1636 C MET B 1 98.350 -1.776 -11.377 1.00 0.00 C ATOM 1637 O MET B 1 98.857 -0.736 -11.008 1.00 0.00 O ATOM 1638 CB MET B 1 100.346 -3.254 -11.690 1.00 0.00 C ATOM 1639 CG MET B 1 100.195 -3.242 -13.210 1.00 0.00 C ATOM 1640 SD MET B 1 101.827 -3.413 -13.973 1.00 0.00 S ATOM 1641 CE MET B 1 101.279 -3.382 -15.696 1.00 0.00 C ATOM 0 H1 MET B 1 98.596 -5.123 -11.506 1.00 0.00 H new ATOM 0 H2 MET B 1 97.236 -4.279 -10.939 1.00 0.00 H new ATOM 0 H3 MET B 1 97.804 -4.012 -12.517 1.00 0.00 H new ATOM 0 HA MET B 1 99.079 -3.212 -9.953 1.00 0.00 H new ATOM 0 HB2 MET B 1 100.987 -2.431 -11.372 1.00 0.00 H new ATOM 0 HB3 MET B 1 100.830 -4.177 -11.370 1.00 0.00 H new ATOM 0 HG2 MET B 1 99.544 -4.056 -13.529 1.00 0.00 H new ATOM 0 HG3 MET B 1 99.725 -2.313 -13.533 1.00 0.00 H new ATOM 0 HE1 MET B 1 102.143 -3.476 -16.354 1.00 0.00 H new ATOM 0 HE2 MET B 1 100.594 -4.211 -15.875 1.00 0.00 H new ATOM 0 HE3 MET B 1 100.769 -2.440 -15.899 1.00 0.00 H new ATOM 1653 N ALA B 2 97.250 -1.782 -12.078 1.00 0.00 N ATOM 1654 CA ALA B 2 96.591 -0.499 -12.442 1.00 0.00 C ATOM 1655 C ALA B 2 95.851 0.052 -11.222 1.00 0.00 C ATOM 1656 O ALA B 2 95.402 1.180 -11.212 1.00 0.00 O ATOM 1657 CB ALA B 2 95.592 -0.745 -13.575 1.00 0.00 C ATOM 0 H ALA B 2 96.779 -2.622 -12.414 1.00 0.00 H new ATOM 0 HA ALA B 2 97.343 0.219 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA B 2 95.108 0.194 -13.843 1.00 0.00 H new ATOM 0 HB2 ALA B 2 96.117 -1.144 -14.443 1.00 0.00 H new ATOM 0 HB3 ALA B 2 94.838 -1.461 -13.247 1.00 0.00 H new ATOM 1663 N CYS B 3 95.717 -0.739 -10.193 1.00 0.00 N ATOM 1664 CA CYS B 3 95.003 -0.264 -8.975 1.00 0.00 C ATOM 1665 C CYS B 3 93.651 0.348 -9.371 1.00 0.00 C ATOM 1666 O CYS B 3 93.401 1.509 -9.115 1.00 0.00 O ATOM 1667 CB CYS B 3 95.853 0.797 -8.272 1.00 0.00 C ATOM 1668 SG CYS B 3 94.935 1.465 -6.863 1.00 0.00 S ATOM 0 H CYS B 3 96.071 -1.694 -10.143 1.00 0.00 H new ATOM 0 HA CYS B 3 94.835 -1.106 -8.304 1.00 0.00 H new ATOM 0 HB2 CYS B 3 96.793 0.361 -7.934 1.00 0.00 H new ATOM 0 HB3 CYS B 3 96.105 1.597 -8.968 1.00 0.00 H new ATOM 0 HG CYS B 3 95.626 1.296 -5.775 1.00 0.00 H new ATOM 1674 N PRO B 4 92.782 -0.418 -9.994 1.00 0.00 N ATOM 1675 CA PRO B 4 91.450 0.111 -10.412 1.00 0.00 C ATOM 1676 C PRO B 4 90.550 0.480 -9.220 1.00 0.00 C ATOM 1677 O PRO B 4 89.567 1.174 -9.377 1.00 0.00 O ATOM 1678 CB PRO B 4 90.868 -1.060 -11.229 1.00 0.00 C ATOM 1679 CG PRO B 4 91.733 -2.307 -10.963 1.00 0.00 C ATOM 1680 CD PRO B 4 93.058 -1.846 -10.331 1.00 0.00 C ATOM 0 HA PRO B 4 91.525 1.043 -10.972 1.00 0.00 H new ATOM 0 HB2 PRO B 4 89.833 -1.247 -10.942 1.00 0.00 H new ATOM 0 HB3 PRO B 4 90.866 -0.818 -12.292 1.00 0.00 H new ATOM 0 HG2 PRO B 4 91.213 -2.995 -10.297 1.00 0.00 H new ATOM 0 HG3 PRO B 4 91.922 -2.844 -11.892 1.00 0.00 H new ATOM 0 HD2 PRO B 4 93.309 -2.430 -9.445 1.00 0.00 H new ATOM 0 HD3 PRO B 4 93.893 -1.944 -11.025 1.00 0.00 H new ATOM 1688 N LEU B 5 90.874 0.036 -8.034 1.00 0.00 N ATOM 1689 CA LEU B 5 90.021 0.389 -6.862 1.00 0.00 C ATOM 1690 C LEU B 5 90.017 1.912 -6.748 1.00 0.00 C ATOM 1691 O LEU B 5 89.010 2.530 -6.459 1.00 0.00 O ATOM 1692 CB LEU B 5 90.592 -0.235 -5.575 1.00 0.00 C ATOM 1693 CG LEU B 5 89.696 0.114 -4.367 1.00 0.00 C ATOM 1694 CD1 LEU B 5 88.341 -0.609 -4.484 1.00 0.00 C ATOM 1695 CD2 LEU B 5 90.395 -0.319 -3.069 1.00 0.00 C ATOM 0 H LEU B 5 91.683 -0.549 -7.827 1.00 0.00 H new ATOM 0 HA LEU B 5 89.009 0.006 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU B 5 90.659 -1.317 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU B 5 91.604 0.131 -5.403 1.00 0.00 H new ATOM 0 HG LEU B 5 89.525 1.190 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU B 5 87.718 -0.355 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU B 5 87.841 -0.298 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU B 5 88.504 -1.686 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU B 5 89.763 -0.073 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU B 5 90.571 -1.394 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU B 5 91.348 0.203 -2.977 1.00 0.00 H new ATOM 1707 N GLU B 6 91.149 2.513 -6.974 1.00 0.00 N ATOM 1708 CA GLU B 6 91.256 3.993 -6.889 1.00 0.00 C ATOM 1709 C GLU B 6 90.297 4.636 -7.906 1.00 0.00 C ATOM 1710 O GLU B 6 89.602 5.585 -7.604 1.00 0.00 O ATOM 1711 CB GLU B 6 92.696 4.381 -7.237 1.00 0.00 C ATOM 1712 CG GLU B 6 92.968 5.827 -6.826 1.00 0.00 C ATOM 1713 CD GLU B 6 94.387 6.213 -7.251 1.00 0.00 C ATOM 1714 OE1 GLU B 6 95.115 5.333 -7.680 1.00 0.00 O ATOM 1715 OE2 GLU B 6 94.721 7.381 -7.141 1.00 0.00 O ATOM 0 H GLU B 6 92.016 2.035 -7.217 1.00 0.00 H new ATOM 0 HA GLU B 6 90.996 4.337 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU B 6 93.393 3.714 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU B 6 92.864 4.262 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU B 6 92.242 6.493 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU B 6 92.856 5.938 -5.748 1.00 0.00 H new ATOM 1722 N LYS B 7 90.253 4.120 -9.108 1.00 0.00 N ATOM 1723 CA LYS B 7 89.338 4.688 -10.144 1.00 0.00 C ATOM 1724 C LYS B 7 87.920 4.255 -9.818 1.00 0.00 C ATOM 1725 O LYS B 7 86.991 5.033 -9.840 1.00 0.00 O ATOM 1726 CB LYS B 7 89.716 4.138 -11.518 1.00 0.00 C ATOM 1727 CG LYS B 7 91.225 4.247 -11.709 1.00 0.00 C ATOM 1728 CD LYS B 7 91.616 3.733 -13.107 1.00 0.00 C ATOM 1729 CE LYS B 7 93.057 3.223 -13.080 1.00 0.00 C ATOM 1730 NZ LYS B 7 93.424 2.691 -14.423 1.00 0.00 N ATOM 0 H LYS B 7 90.814 3.326 -9.418 1.00 0.00 H new ATOM 0 HA LYS B 7 89.417 5.775 -10.153 1.00 0.00 H new ATOM 0 HB2 LYS B 7 89.401 3.098 -11.605 1.00 0.00 H new ATOM 0 HB3 LYS B 7 89.198 4.694 -12.300 1.00 0.00 H new ATOM 0 HG2 LYS B 7 91.541 5.284 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS B 7 91.740 3.668 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS B 7 90.942 2.933 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS B 7 91.516 4.533 -13.841 1.00 0.00 H new ATOM 0 HE2 LYS B 7 93.734 4.030 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS B 7 93.163 2.442 -12.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 94.404 2.344 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 92.785 1.909 -14.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 93.339 3.448 -15.131 1.00 0.00 H new ATOM 1744 N ALA B 8 87.754 3.009 -9.494 1.00 0.00 N ATOM 1745 CA ALA B 8 86.397 2.527 -9.138 1.00 0.00 C ATOM 1746 C ALA B 8 85.958 3.348 -7.935 1.00 0.00 C ATOM 1747 O ALA B 8 84.827 3.769 -7.825 1.00 0.00 O ATOM 1748 CB ALA B 8 86.427 1.030 -8.805 1.00 0.00 C ATOM 0 H ALA B 8 88.493 2.307 -9.460 1.00 0.00 H new ATOM 0 HA ALA B 8 85.700 2.647 -9.967 1.00 0.00 H new ATOM 0 HB1 ALA B 8 85.423 0.695 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA B 8 86.784 0.472 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA B 8 87.095 0.858 -7.961 1.00 0.00 H new ATOM 1754 N LEU B 9 86.868 3.629 -7.054 1.00 0.00 N ATOM 1755 CA LEU B 9 86.506 4.481 -5.903 1.00 0.00 C ATOM 1756 C LEU B 9 86.042 5.807 -6.495 1.00 0.00 C ATOM 1757 O LEU B 9 85.066 6.388 -6.065 1.00 0.00 O ATOM 1758 CB LEU B 9 87.726 4.697 -5.001 1.00 0.00 C ATOM 1759 CG LEU B 9 87.345 5.583 -3.808 1.00 0.00 C ATOM 1760 CD1 LEU B 9 86.261 4.896 -2.956 1.00 0.00 C ATOM 1761 CD2 LEU B 9 88.596 5.836 -2.959 1.00 0.00 C ATOM 0 H LEU B 9 87.836 3.309 -7.081 1.00 0.00 H new ATOM 0 HA LEU B 9 85.728 4.023 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU B 9 88.101 3.737 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU B 9 88.531 5.164 -5.569 1.00 0.00 H new ATOM 0 HG LEU B 9 86.947 6.530 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU B 9 86.001 5.536 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU B 9 85.375 4.721 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU B 9 86.639 3.944 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU B 9 88.337 6.465 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU B 9 88.991 4.885 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU B 9 89.351 6.338 -3.564 1.00 0.00 H new ATOM 1773 N ASP B 10 86.717 6.265 -7.522 1.00 0.00 N ATOM 1774 CA ASP B 10 86.285 7.528 -8.181 1.00 0.00 C ATOM 1775 C ASP B 10 84.938 7.276 -8.856 1.00 0.00 C ATOM 1776 O ASP B 10 84.095 8.148 -8.911 1.00 0.00 O ATOM 1777 CB ASP B 10 87.312 7.976 -9.227 1.00 0.00 C ATOM 1778 CG ASP B 10 86.970 9.391 -9.698 1.00 0.00 C ATOM 1779 OD1 ASP B 10 85.849 9.817 -9.470 1.00 0.00 O ATOM 1780 OD2 ASP B 10 87.835 10.027 -10.280 1.00 0.00 O ATOM 0 H ASP B 10 87.541 5.820 -7.926 1.00 0.00 H new ATOM 0 HA ASP B 10 86.199 8.318 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP B 10 88.315 7.955 -8.801 1.00 0.00 H new ATOM 0 HB3 ASP B 10 87.310 7.288 -10.073 1.00 0.00 H new ATOM 1785 N VAL B 11 84.720 6.092 -9.373 1.00 0.00 N ATOM 1786 CA VAL B 11 83.412 5.817 -10.035 1.00 0.00 C ATOM 1787 C VAL B 11 82.298 6.014 -9.007 1.00 0.00 C ATOM 1788 O VAL B 11 81.264 6.578 -9.299 1.00 0.00 O ATOM 1789 CB VAL B 11 83.368 4.377 -10.555 1.00 0.00 C ATOM 1790 CG1 VAL B 11 81.952 4.038 -11.027 1.00 0.00 C ATOM 1791 CG2 VAL B 11 84.347 4.230 -11.719 1.00 0.00 C ATOM 0 H VAL B 11 85.382 5.316 -9.365 1.00 0.00 H new ATOM 0 HA VAL B 11 83.283 6.497 -10.877 1.00 0.00 H new ATOM 0 HB VAL B 11 83.649 3.694 -9.753 1.00 0.00 H new ATOM 0 HG11 VAL B 11 81.927 3.013 -11.396 1.00 0.00 H new ATOM 0 HG12 VAL B 11 81.256 4.141 -10.194 1.00 0.00 H new ATOM 0 HG13 VAL B 11 81.663 4.719 -11.828 1.00 0.00 H new ATOM 0 HG21 VAL B 11 84.318 3.206 -12.092 1.00 0.00 H new ATOM 0 HG22 VAL B 11 84.067 4.915 -12.519 1.00 0.00 H new ATOM 0 HG23 VAL B 11 85.356 4.464 -11.378 1.00 0.00 H new ATOM 1801 N MET B 12 82.510 5.568 -7.800 1.00 0.00 N ATOM 1802 CA MET B 12 81.470 5.746 -6.750 1.00 0.00 C ATOM 1803 C MET B 12 81.218 7.239 -6.571 1.00 0.00 C ATOM 1804 O MET B 12 80.100 7.688 -6.438 1.00 0.00 O ATOM 1805 CB MET B 12 81.984 5.160 -5.434 1.00 0.00 C ATOM 1806 CG MET B 12 82.040 3.631 -5.527 1.00 0.00 C ATOM 1807 SD MET B 12 83.188 2.996 -4.278 1.00 0.00 S ATOM 1808 CE MET B 12 82.551 3.944 -2.877 1.00 0.00 C ATOM 0 H MET B 12 83.358 5.089 -7.496 1.00 0.00 H new ATOM 0 HA MET B 12 80.548 5.241 -7.039 1.00 0.00 H new ATOM 0 HB2 MET B 12 82.975 5.556 -5.213 1.00 0.00 H new ATOM 0 HB3 MET B 12 81.331 5.459 -4.614 1.00 0.00 H new ATOM 0 HG2 MET B 12 81.047 3.209 -5.372 1.00 0.00 H new ATOM 0 HG3 MET B 12 82.364 3.327 -6.523 1.00 0.00 H new ATOM 0 HE1 MET B 12 82.859 3.468 -1.946 1.00 0.00 H new ATOM 0 HE2 MET B 12 82.947 4.959 -2.914 1.00 0.00 H new ATOM 0 HE3 MET B 12 81.463 3.977 -2.925 1.00 0.00 H new ATOM 1818 N VAL B 13 82.264 8.007 -6.562 1.00 0.00 N ATOM 1819 CA VAL B 13 82.119 9.477 -6.394 1.00 0.00 C ATOM 1820 C VAL B 13 81.673 10.120 -7.712 1.00 0.00 C ATOM 1821 O VAL B 13 80.819 10.983 -7.729 1.00 0.00 O ATOM 1822 CB VAL B 13 83.462 10.047 -5.955 1.00 0.00 C ATOM 1823 CG1 VAL B 13 83.365 11.567 -5.815 1.00 0.00 C ATOM 1824 CG2 VAL B 13 83.828 9.429 -4.609 1.00 0.00 C ATOM 0 H VAL B 13 83.224 7.678 -6.665 1.00 0.00 H new ATOM 0 HA VAL B 13 81.362 9.692 -5.640 1.00 0.00 H new ATOM 0 HB VAL B 13 84.225 9.815 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL B 13 84.330 11.966 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL B 13 83.087 12.004 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL B 13 82.609 11.816 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL B 13 84.788 9.824 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL B 13 83.060 9.674 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL B 13 83.898 8.346 -4.713 1.00 0.00 H new ATOM 1834 N SER B 14 82.241 9.717 -8.819 1.00 0.00 N ATOM 1835 CA SER B 14 81.828 10.330 -10.115 1.00 0.00 C ATOM 1836 C SER B 14 80.335 10.079 -10.335 1.00 0.00 C ATOM 1837 O SER B 14 79.608 10.947 -10.776 1.00 0.00 O ATOM 1838 CB SER B 14 82.623 9.703 -11.261 1.00 0.00 C ATOM 1839 OG SER B 14 84.007 9.968 -11.075 1.00 0.00 O ATOM 0 H SER B 14 82.963 9.000 -8.882 1.00 0.00 H new ATOM 0 HA SER B 14 82.023 11.402 -10.088 1.00 0.00 H new ATOM 0 HB2 SER B 14 82.448 8.628 -11.294 1.00 0.00 H new ATOM 0 HB3 SER B 14 82.289 10.109 -12.215 1.00 0.00 H new ATOM 0 HG SER B 14 84.330 9.483 -10.287 1.00 0.00 H new ATOM 1845 N THR B 15 79.866 8.902 -10.015 1.00 0.00 N ATOM 1846 CA THR B 15 78.414 8.608 -10.189 1.00 0.00 C ATOM 1847 C THR B 15 77.608 9.470 -9.204 1.00 0.00 C ATOM 1848 O THR B 15 76.534 9.940 -9.508 1.00 0.00 O ATOM 1849 CB THR B 15 78.164 7.099 -9.969 1.00 0.00 C ATOM 1850 OG1 THR B 15 77.185 6.649 -10.895 1.00 0.00 O ATOM 1851 CG2 THR B 15 77.684 6.800 -8.542 1.00 0.00 C ATOM 0 H THR B 15 80.424 8.134 -9.642 1.00 0.00 H new ATOM 0 HA THR B 15 78.091 8.854 -11.201 1.00 0.00 H new ATOM 0 HB THR B 15 79.108 6.576 -10.121 1.00 0.00 H new ATOM 0 HG1 THR B 15 77.024 5.692 -10.761 1.00 0.00 H new ATOM 0 HG21 THR B 15 77.520 5.728 -8.430 1.00 0.00 H new ATOM 0 HG22 THR B 15 78.439 7.128 -7.828 1.00 0.00 H new ATOM 0 HG23 THR B 15 76.751 7.331 -8.353 1.00 0.00 H new ATOM 1859 N PHE B 16 78.134 9.672 -8.027 1.00 0.00 N ATOM 1860 CA PHE B 16 77.422 10.493 -7.000 1.00 0.00 C ATOM 1861 C PHE B 16 77.194 11.909 -7.534 1.00 0.00 C ATOM 1862 O PHE B 16 76.121 12.464 -7.403 1.00 0.00 O ATOM 1863 CB PHE B 16 78.301 10.569 -5.745 1.00 0.00 C ATOM 1864 CG PHE B 16 77.632 11.401 -4.674 1.00 0.00 C ATOM 1865 CD1 PHE B 16 77.863 12.782 -4.617 1.00 0.00 C ATOM 1866 CD2 PHE B 16 76.793 10.792 -3.734 1.00 0.00 C ATOM 1867 CE1 PHE B 16 77.251 13.553 -3.620 1.00 0.00 C ATOM 1868 CE2 PHE B 16 76.184 11.564 -2.737 1.00 0.00 C ATOM 1869 CZ PHE B 16 76.412 12.943 -2.680 1.00 0.00 C ATOM 0 H PHE B 16 79.036 9.301 -7.728 1.00 0.00 H new ATOM 0 HA PHE B 16 76.459 10.038 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE B 16 78.491 9.565 -5.367 1.00 0.00 H new ATOM 0 HB3 PHE B 16 79.268 11.003 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE B 16 78.512 13.252 -5.341 1.00 0.00 H new ATOM 0 HD2 PHE B 16 76.615 9.728 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE B 16 77.427 14.618 -3.577 1.00 0.00 H new ATOM 0 HE2 PHE B 16 75.537 11.094 -2.011 1.00 0.00 H new ATOM 0 HZ PHE B 16 75.941 13.537 -1.911 1.00 0.00 H new ATOM 1879 N HIS B 17 78.187 12.494 -8.138 1.00 0.00 N ATOM 1880 CA HIS B 17 78.020 13.871 -8.683 1.00 0.00 C ATOM 1881 C HIS B 17 77.149 13.821 -9.933 1.00 0.00 C ATOM 1882 O HIS B 17 76.520 14.798 -10.289 1.00 0.00 O ATOM 1883 CB HIS B 17 79.388 14.470 -9.014 1.00 0.00 C ATOM 1884 CG HIS B 17 79.214 15.873 -9.530 1.00 0.00 C ATOM 1885 ND1 HIS B 17 79.319 16.182 -10.878 1.00 0.00 N ATOM 1886 CD2 HIS B 17 78.949 17.061 -8.891 1.00 0.00 C ATOM 1887 CE1 HIS B 17 79.123 17.507 -11.008 1.00 0.00 C ATOM 1888 NE2 HIS B 17 78.893 18.086 -9.829 1.00 0.00 N ATOM 0 H HIS B 17 79.108 12.080 -8.279 1.00 0.00 H new ATOM 0 HA HIS B 17 77.536 14.500 -7.936 1.00 0.00 H new ATOM 0 HB2 HIS B 17 80.019 14.474 -8.125 1.00 0.00 H new ATOM 0 HB3 HIS B 17 79.893 13.857 -9.761 1.00 0.00 H new ATOM 0 HD2 HIS B 17 78.807 17.180 -7.827 1.00 0.00 H new ATOM 0 HE1 HIS B 17 79.149 18.035 -11.950 1.00 0.00 H new ATOM 0 HE2 HIS B 17 78.713 19.074 -9.652 1.00 0.00 H new ATOM 1897 N LYS B 18 77.069 12.694 -10.598 1.00 0.00 N ATOM 1898 CA LYS B 18 76.191 12.633 -11.801 1.00 0.00 C ATOM 1899 C LYS B 18 74.816 13.085 -11.330 1.00 0.00 C ATOM 1900 O LYS B 18 74.136 13.859 -11.975 1.00 0.00 O ATOM 1901 CB LYS B 18 76.113 11.198 -12.334 1.00 0.00 C ATOM 1902 CG LYS B 18 75.418 11.196 -13.699 1.00 0.00 C ATOM 1903 CD LYS B 18 75.338 9.764 -14.234 1.00 0.00 C ATOM 1904 CE LYS B 18 74.647 9.763 -15.599 1.00 0.00 C ATOM 1905 NZ LYS B 18 74.439 8.358 -16.052 1.00 0.00 N ATOM 0 H LYS B 18 77.563 11.833 -10.365 1.00 0.00 H new ATOM 0 HA LYS B 18 76.574 13.260 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS B 18 77.115 10.777 -12.424 1.00 0.00 H new ATOM 0 HB3 LYS B 18 75.564 10.568 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS B 18 74.417 11.617 -13.609 1.00 0.00 H new ATOM 0 HG3 LYS B 18 75.967 11.826 -14.399 1.00 0.00 H new ATOM 0 HD2 LYS B 18 76.339 9.342 -14.322 1.00 0.00 H new ATOM 0 HD3 LYS B 18 74.786 9.135 -13.536 1.00 0.00 H new ATOM 0 HE2 LYS B 18 73.690 10.280 -15.534 1.00 0.00 H new ATOM 0 HE3 LYS B 18 75.253 10.304 -16.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 73.969 8.358 -16.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 75.359 7.879 -16.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 73.844 7.856 -15.363 1.00 0.00 H new ATOM 1919 N TYR B 19 74.447 12.653 -10.154 1.00 0.00 N ATOM 1920 CA TYR B 19 73.163 13.097 -9.555 1.00 0.00 C ATOM 1921 C TYR B 19 73.475 14.324 -8.704 1.00 0.00 C ATOM 1922 O TYR B 19 72.835 15.346 -8.810 1.00 0.00 O ATOM 1923 CB TYR B 19 72.584 12.006 -8.649 1.00 0.00 C ATOM 1924 CG TYR B 19 72.326 10.754 -9.448 1.00 0.00 C ATOM 1925 CD1 TYR B 19 71.094 10.567 -10.086 1.00 0.00 C ATOM 1926 CD2 TYR B 19 73.322 9.780 -9.547 1.00 0.00 C ATOM 1927 CE1 TYR B 19 70.858 9.401 -10.824 1.00 0.00 C ATOM 1928 CE2 TYR B 19 73.091 8.615 -10.283 1.00 0.00 C ATOM 1929 CZ TYR B 19 71.859 8.424 -10.923 1.00 0.00 C ATOM 1930 OH TYR B 19 71.629 7.275 -11.649 1.00 0.00 O ATOM 0 H TYR B 19 74.988 12.006 -9.580 1.00 0.00 H new ATOM 0 HA TYR B 19 72.437 13.314 -10.338 1.00 0.00 H new ATOM 0 HB2 TYR B 19 73.277 11.792 -7.836 1.00 0.00 H new ATOM 0 HB3 TYR B 19 71.657 12.354 -8.194 1.00 0.00 H new ATOM 0 HD1 TYR B 19 70.326 11.322 -10.009 1.00 0.00 H new ATOM 0 HD2 TYR B 19 74.272 9.927 -9.054 1.00 0.00 H new ATOM 0 HE1 TYR B 19 69.908 9.254 -11.316 1.00 0.00 H new ATOM 0 HE2 TYR B 19 73.862 7.862 -10.359 1.00 0.00 H new ATOM 0 HH TYR B 19 72.424 6.703 -11.617 1.00 0.00 H new ATOM 1940 N SER B 20 74.469 14.218 -7.855 1.00 0.00 N ATOM 1941 CA SER B 20 74.842 15.365 -6.976 1.00 0.00 C ATOM 1942 C SER B 20 73.707 15.607 -5.982 1.00 0.00 C ATOM 1943 O SER B 20 73.923 15.819 -4.806 1.00 0.00 O ATOM 1944 CB SER B 20 75.057 16.621 -7.828 1.00 0.00 C ATOM 1945 OG SER B 20 73.824 17.314 -7.969 1.00 0.00 O ATOM 0 H SER B 20 75.039 13.381 -7.735 1.00 0.00 H new ATOM 0 HA SER B 20 75.764 15.139 -6.441 1.00 0.00 H new ATOM 0 HB2 SER B 20 75.799 17.268 -7.360 1.00 0.00 H new ATOM 0 HB3 SER B 20 75.446 16.346 -8.808 1.00 0.00 H new ATOM 0 HG SER B 20 73.325 16.943 -8.727 1.00 0.00 H new ATOM 1951 N GLY B 21 72.499 15.559 -6.460 1.00 0.00 N ATOM 1952 CA GLY B 21 71.319 15.773 -5.571 1.00 0.00 C ATOM 1953 C GLY B 21 70.115 16.222 -6.411 1.00 0.00 C ATOM 1954 O GLY B 21 69.096 15.565 -6.439 1.00 0.00 O ATOM 0 H GLY B 21 72.272 15.379 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY B 21 71.081 14.852 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY B 21 71.551 16.526 -4.818 1.00 0.00 H new ATOM 1958 N LYS B 22 70.239 17.343 -7.083 1.00 0.00 N ATOM 1959 CA LYS B 22 69.129 17.888 -7.942 1.00 0.00 C ATOM 1960 C LYS B 22 67.897 18.210 -7.096 1.00 0.00 C ATOM 1961 O LYS B 22 67.009 18.920 -7.526 1.00 0.00 O ATOM 1962 CB LYS B 22 68.729 16.863 -9.006 1.00 0.00 C ATOM 1963 CG LYS B 22 69.934 16.534 -9.887 1.00 0.00 C ATOM 1964 CD LYS B 22 69.513 15.600 -11.031 1.00 0.00 C ATOM 1965 CE LYS B 22 69.202 14.197 -10.494 1.00 0.00 C ATOM 1966 NZ LYS B 22 69.185 13.230 -11.628 1.00 0.00 N ATOM 0 H LYS B 22 71.081 17.918 -7.074 1.00 0.00 H new ATOM 0 HA LYS B 22 69.495 18.798 -8.417 1.00 0.00 H new ATOM 0 HB2 LYS B 22 68.357 15.956 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS B 22 67.917 17.257 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS B 22 70.358 17.452 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS B 22 70.713 16.061 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS B 22 68.636 16.005 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS B 22 70.309 15.543 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS B 22 69.951 13.901 -9.760 1.00 0.00 H new ATOM 0 HE3 LYS B 22 68.238 14.195 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 68.974 12.277 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 68.454 13.511 -12.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 70.114 13.226 -12.095 1.00 0.00 H new ATOM 1980 N GLU B 23 67.828 17.688 -5.906 1.00 0.00 N ATOM 1981 CA GLU B 23 66.647 17.947 -5.024 1.00 0.00 C ATOM 1982 C GLU B 23 67.015 18.997 -3.967 1.00 0.00 C ATOM 1983 O GLU B 23 66.159 19.595 -3.346 1.00 0.00 O ATOM 1984 CB GLU B 23 66.255 16.631 -4.340 1.00 0.00 C ATOM 1985 CG GLU B 23 64.984 16.813 -3.504 1.00 0.00 C ATOM 1986 CD GLU B 23 63.807 17.152 -4.422 1.00 0.00 C ATOM 1987 OE1 GLU B 23 63.892 16.844 -5.599 1.00 0.00 O ATOM 1988 OE2 GLU B 23 62.839 17.708 -3.931 1.00 0.00 O ATOM 0 H GLU B 23 68.544 17.086 -5.498 1.00 0.00 H new ATOM 0 HA GLU B 23 65.811 18.322 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU B 23 66.094 15.858 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU B 23 67.070 16.290 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU B 23 64.771 15.902 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU B 23 65.129 17.609 -2.773 1.00 0.00 H new ATOM 1995 N GLY B 24 68.281 19.238 -3.763 1.00 0.00 N ATOM 1996 CA GLY B 24 68.684 20.254 -2.747 1.00 0.00 C ATOM 1997 C GLY B 24 70.209 20.307 -2.643 1.00 0.00 C ATOM 1998 O GLY B 24 70.892 20.694 -3.571 1.00 0.00 O ATOM 0 H GLY B 24 69.050 18.779 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY B 24 68.295 21.234 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY B 24 68.253 20.003 -1.778 1.00 0.00 H new ATOM 2002 N ASP B 25 70.751 19.924 -1.516 1.00 0.00 N ATOM 2003 CA ASP B 25 72.233 19.958 -1.353 1.00 0.00 C ATOM 2004 C ASP B 25 72.885 19.054 -2.394 1.00 0.00 C ATOM 2005 O ASP B 25 72.483 17.926 -2.599 1.00 0.00 O ATOM 2006 CB ASP B 25 72.607 19.468 0.047 1.00 0.00 C ATOM 2007 CG ASP B 25 72.180 20.507 1.086 1.00 0.00 C ATOM 2008 OD1 ASP B 25 72.029 21.660 0.715 1.00 0.00 O ATOM 2009 OD2 ASP B 25 72.020 20.134 2.236 1.00 0.00 O ATOM 0 H ASP B 25 70.232 19.590 -0.704 1.00 0.00 H new ATOM 0 HA ASP B 25 72.585 20.981 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP B 25 72.121 18.514 0.251 1.00 0.00 H new ATOM 0 HB3 ASP B 25 73.682 19.298 0.109 1.00 0.00 H new ATOM 2014 N LYS B 26 73.897 19.544 -3.050 1.00 0.00 N ATOM 2015 CA LYS B 26 74.592 18.726 -4.077 1.00 0.00 C ATOM 2016 C LYS B 26 75.597 17.802 -3.390 1.00 0.00 C ATOM 2017 O LYS B 26 76.170 16.921 -4.000 1.00 0.00 O ATOM 2018 CB LYS B 26 75.315 19.654 -5.057 1.00 0.00 C ATOM 2019 CG LYS B 26 74.274 20.388 -5.907 1.00 0.00 C ATOM 2020 CD LYS B 26 74.969 21.329 -6.901 1.00 0.00 C ATOM 2021 CE LYS B 26 75.424 22.617 -6.199 1.00 0.00 C ATOM 2022 NZ LYS B 26 75.764 23.643 -7.226 1.00 0.00 N ATOM 0 H LYS B 26 74.274 20.482 -2.917 1.00 0.00 H new ATOM 0 HA LYS B 26 73.868 18.122 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS B 26 75.930 20.371 -4.513 1.00 0.00 H new ATOM 0 HB3 LYS B 26 75.985 19.079 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS B 26 73.660 19.667 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS B 26 73.604 20.958 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS B 26 75.829 20.827 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS B 26 74.287 21.574 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS B 26 74.634 22.987 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS B 26 76.290 22.415 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 76.073 24.517 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 76.531 23.287 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 74.926 23.842 -7.809 1.00 0.00 H new ATOM 2036 N PHE B 27 75.818 18.004 -2.118 1.00 0.00 N ATOM 2037 CA PHE B 27 76.790 17.147 -1.373 1.00 0.00 C ATOM 2038 C PHE B 27 76.054 15.976 -0.717 1.00 0.00 C ATOM 2039 O PHE B 27 76.647 15.183 -0.011 1.00 0.00 O ATOM 2040 CB PHE B 27 77.465 17.979 -0.279 1.00 0.00 C ATOM 2041 CG PHE B 27 78.213 19.135 -0.897 1.00 0.00 C ATOM 2042 CD1 PHE B 27 79.547 18.974 -1.289 1.00 0.00 C ATOM 2043 CD2 PHE B 27 77.577 20.371 -1.068 1.00 0.00 C ATOM 2044 CE1 PHE B 27 80.244 20.047 -1.853 1.00 0.00 C ATOM 2045 CE2 PHE B 27 78.275 21.445 -1.634 1.00 0.00 C ATOM 2046 CZ PHE B 27 79.609 21.282 -2.025 1.00 0.00 C ATOM 0 H PHE B 27 75.366 18.728 -1.560 1.00 0.00 H new ATOM 0 HA PHE B 27 77.537 16.767 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE B 27 76.716 18.352 0.420 1.00 0.00 H new ATOM 0 HB3 PHE B 27 78.152 17.355 0.293 1.00 0.00 H new ATOM 0 HD1 PHE B 27 80.038 18.021 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE B 27 76.548 20.496 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE B 27 81.273 19.922 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE B 27 77.785 22.398 -1.769 1.00 0.00 H new ATOM 0 HZ PHE B 27 80.149 22.110 -2.460 1.00 0.00 H new ATOM 2056 N LYS B 28 74.763 15.870 -0.919 1.00 0.00 N ATOM 2057 CA LYS B 28 73.984 14.759 -0.278 1.00 0.00 C ATOM 2058 C LYS B 28 72.959 14.187 -1.263 1.00 0.00 C ATOM 2059 O LYS B 28 72.601 14.815 -2.239 1.00 0.00 O ATOM 2060 CB LYS B 28 73.251 15.311 0.944 1.00 0.00 C ATOM 2061 CG LYS B 28 74.273 15.852 1.943 1.00 0.00 C ATOM 2062 CD LYS B 28 73.550 16.405 3.170 1.00 0.00 C ATOM 2063 CE LYS B 28 74.581 16.943 4.161 1.00 0.00 C ATOM 2064 NZ LYS B 28 73.892 17.754 5.204 1.00 0.00 N ATOM 0 H LYS B 28 74.213 16.503 -1.499 1.00 0.00 H new ATOM 0 HA LYS B 28 74.670 13.965 0.017 1.00 0.00 H new ATOM 0 HB2 LYS B 28 72.564 16.102 0.644 1.00 0.00 H new ATOM 0 HB3 LYS B 28 72.651 14.528 1.408 1.00 0.00 H new ATOM 0 HG2 LYS B 28 74.960 15.060 2.240 1.00 0.00 H new ATOM 0 HG3 LYS B 28 74.871 16.635 1.478 1.00 0.00 H new ATOM 0 HD2 LYS B 28 72.863 17.198 2.875 1.00 0.00 H new ATOM 0 HD3 LYS B 28 72.952 15.623 3.638 1.00 0.00 H new ATOM 0 HE2 LYS B 28 75.121 16.117 4.625 1.00 0.00 H new ATOM 0 HE3 LYS B 28 75.319 17.553 3.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 74.594 18.120 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 73.396 18.550 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 73.204 17.159 5.709 1.00 0.00 H new ATOM 2078 N LEU B 29 72.476 12.994 -0.996 1.00 0.00 N ATOM 2079 CA LEU B 29 71.459 12.351 -1.881 1.00 0.00 C ATOM 2080 C LEU B 29 70.210 12.133 -1.030 1.00 0.00 C ATOM 2081 O LEU B 29 70.313 11.862 0.131 1.00 0.00 O ATOM 2082 CB LEU B 29 72.019 10.992 -2.376 1.00 0.00 C ATOM 2083 CG LEU B 29 72.395 11.049 -3.864 1.00 0.00 C ATOM 2084 CD1 LEU B 29 73.347 9.895 -4.188 1.00 0.00 C ATOM 2085 CD2 LEU B 29 71.134 10.899 -4.714 1.00 0.00 C ATOM 0 H LEU B 29 72.750 12.434 -0.189 1.00 0.00 H new ATOM 0 HA LEU B 29 71.225 12.966 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU B 29 72.896 10.722 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU B 29 71.276 10.211 -2.217 1.00 0.00 H new ATOM 0 HG LEU B 29 72.876 12.003 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU B 29 73.617 9.931 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU B 29 74.247 9.984 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU B 29 72.856 8.946 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU B 29 71.400 10.939 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU B 29 70.660 9.942 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU B 29 70.441 11.708 -4.483 1.00 0.00 H new ATOM 2097 N ASN B 30 69.038 12.251 -1.583 1.00 0.00 N ATOM 2098 CA ASN B 30 67.805 12.034 -0.768 1.00 0.00 C ATOM 2099 C ASN B 30 67.364 10.574 -0.942 1.00 0.00 C ATOM 2100 O ASN B 30 67.379 10.041 -2.030 1.00 0.00 O ATOM 2101 CB ASN B 30 66.699 12.971 -1.258 1.00 0.00 C ATOM 2102 CG ASN B 30 66.970 14.388 -0.748 1.00 0.00 C ATOM 2103 OD1 ASN B 30 67.412 15.292 -1.576 1.00 0.00 O flip ATOM 2104 ND2 ASN B 30 66.782 14.674 0.417 1.00 0.00 N flip ATOM 0 H ASN B 30 68.876 12.488 -2.562 1.00 0.00 H new ATOM 0 HA ASN B 30 68.003 12.242 0.283 1.00 0.00 H new ATOM 0 HB2 ASN B 30 66.659 12.966 -2.347 1.00 0.00 H new ATOM 0 HB3 ASN B 30 65.729 12.624 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN B 30 66.436 13.967 1.066 1.00 0.00 H new ATOM 0 HD22 ASN B 30 66.970 15.621 0.746 1.00 0.00 H new ATOM 2111 N LYS B 31 66.989 9.920 0.121 1.00 0.00 N ATOM 2112 CA LYS B 31 66.571 8.489 0.025 1.00 0.00 C ATOM 2113 C LYS B 31 65.649 8.281 -1.174 1.00 0.00 C ATOM 2114 O LYS B 31 65.653 7.247 -1.790 1.00 0.00 O ATOM 2115 CB LYS B 31 65.809 8.089 1.285 1.00 0.00 C ATOM 2116 CG LYS B 31 66.708 8.252 2.508 1.00 0.00 C ATOM 2117 CD LYS B 31 65.982 7.726 3.755 1.00 0.00 C ATOM 2118 CE LYS B 31 64.848 8.679 4.154 1.00 0.00 C ATOM 2119 NZ LYS B 31 64.393 8.353 5.535 1.00 0.00 N ATOM 0 H LYS B 31 66.953 10.316 1.060 1.00 0.00 H new ATOM 0 HA LYS B 31 67.468 7.880 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS B 31 64.917 8.707 1.393 1.00 0.00 H new ATOM 0 HB3 LYS B 31 65.473 7.055 1.205 1.00 0.00 H new ATOM 0 HG2 LYS B 31 67.641 7.708 2.361 1.00 0.00 H new ATOM 0 HG3 LYS B 31 66.969 9.302 2.643 1.00 0.00 H new ATOM 0 HD2 LYS B 31 65.579 6.733 3.557 1.00 0.00 H new ATOM 0 HD3 LYS B 31 66.688 7.625 4.579 1.00 0.00 H new ATOM 0 HE2 LYS B 31 65.192 9.712 4.107 1.00 0.00 H new ATOM 0 HE3 LYS B 31 64.017 8.587 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 63.450 7.917 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 65.063 7.690 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 64.348 9.225 6.101 1.00 0.00 H new ATOM 2133 N SER B 32 64.868 9.246 -1.531 1.00 0.00 N ATOM 2134 CA SER B 32 63.982 9.047 -2.709 1.00 0.00 C ATOM 2135 C SER B 32 64.876 8.770 -3.895 1.00 0.00 C ATOM 2136 O SER B 32 64.606 7.919 -4.719 1.00 0.00 O ATOM 2137 CB SER B 32 63.163 10.291 -2.986 1.00 0.00 C ATOM 2138 OG SER B 32 62.289 10.538 -1.892 1.00 0.00 O ATOM 0 H SER B 32 64.799 10.154 -1.071 1.00 0.00 H new ATOM 0 HA SER B 32 63.292 8.224 -2.521 1.00 0.00 H new ATOM 0 HB2 SER B 32 63.822 11.146 -3.139 1.00 0.00 H new ATOM 0 HB3 SER B 32 62.588 10.164 -3.903 1.00 0.00 H new ATOM 0 HG SER B 32 61.761 11.344 -2.071 1.00 0.00 H new ATOM 2144 N GLU B 33 65.963 9.473 -3.964 1.00 0.00 N ATOM 2145 CA GLU B 33 66.915 9.249 -5.070 1.00 0.00 C ATOM 2146 C GLU B 33 67.420 7.827 -4.958 1.00 0.00 C ATOM 2147 O GLU B 33 67.846 7.241 -5.923 1.00 0.00 O ATOM 2148 CB GLU B 33 68.063 10.247 -4.980 1.00 0.00 C ATOM 2149 CG GLU B 33 67.503 11.665 -5.121 1.00 0.00 C ATOM 2150 CD GLU B 33 67.052 11.896 -6.565 1.00 0.00 C ATOM 2151 OE1 GLU B 33 67.657 11.317 -7.452 1.00 0.00 O ATOM 2152 OE2 GLU B 33 66.112 12.649 -6.758 1.00 0.00 O ATOM 0 H GLU B 33 66.233 10.196 -3.297 1.00 0.00 H new ATOM 0 HA GLU B 33 66.431 9.395 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU B 33 68.581 10.140 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU B 33 68.794 10.051 -5.764 1.00 0.00 H new ATOM 0 HG2 GLU B 33 66.663 11.805 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU B 33 68.263 12.396 -4.845 1.00 0.00 H new ATOM 2159 N LEU B 34 67.353 7.235 -3.795 1.00 0.00 N ATOM 2160 CA LEU B 34 67.812 5.822 -3.717 1.00 0.00 C ATOM 2161 C LEU B 34 66.936 5.034 -4.674 1.00 0.00 C ATOM 2162 O LEU B 34 67.401 4.177 -5.390 1.00 0.00 O ATOM 2163 CB LEU B 34 67.684 5.260 -2.280 1.00 0.00 C ATOM 2164 CG LEU B 34 68.130 3.776 -2.186 1.00 0.00 C ATOM 2165 CD1 LEU B 34 67.057 2.818 -2.782 1.00 0.00 C ATOM 2166 CD2 LEU B 34 69.477 3.577 -2.899 1.00 0.00 C ATOM 0 H LEU B 34 67.014 7.650 -2.927 1.00 0.00 H new ATOM 0 HA LEU B 34 68.866 5.748 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU B 34 68.288 5.862 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU B 34 66.649 5.348 -1.949 1.00 0.00 H new ATOM 0 HG LEU B 34 68.246 3.530 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU B 34 67.403 1.788 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU B 34 66.122 2.932 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU B 34 66.894 3.063 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU B 34 69.777 2.532 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU B 34 69.377 3.852 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU B 34 70.234 4.206 -2.430 1.00 0.00 H new ATOM 2178 N LYS B 35 65.663 5.333 -4.721 1.00 0.00 N ATOM 2179 CA LYS B 35 64.793 4.594 -5.667 1.00 0.00 C ATOM 2180 C LYS B 35 65.143 4.981 -7.103 1.00 0.00 C ATOM 2181 O LYS B 35 65.356 4.137 -7.949 1.00 0.00 O ATOM 2182 CB LYS B 35 63.338 4.949 -5.384 1.00 0.00 C ATOM 2183 CG LYS B 35 62.414 4.148 -6.300 1.00 0.00 C ATOM 2184 CD LYS B 35 60.963 4.516 -5.993 1.00 0.00 C ATOM 2185 CE LYS B 35 60.036 3.758 -6.941 1.00 0.00 C ATOM 2186 NZ LYS B 35 60.058 2.307 -6.603 1.00 0.00 N ATOM 0 H LYS B 35 65.200 6.044 -4.155 1.00 0.00 H new ATOM 0 HA LYS B 35 64.944 3.522 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS B 35 63.101 4.739 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS B 35 63.179 6.016 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS B 35 62.643 4.361 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS B 35 62.571 3.080 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS B 35 60.725 4.269 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS B 35 60.817 5.590 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS B 35 59.020 4.146 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS B 35 60.353 3.907 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 59.256 1.831 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 60.948 1.886 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 59.986 2.190 -5.572 1.00 0.00 H new ATOM 2200 N GLU B 36 65.189 6.250 -7.387 1.00 0.00 N ATOM 2201 CA GLU B 36 65.506 6.682 -8.776 1.00 0.00 C ATOM 2202 C GLU B 36 66.959 6.373 -9.120 1.00 0.00 C ATOM 2203 O GLU B 36 67.268 5.952 -10.218 1.00 0.00 O ATOM 2204 CB GLU B 36 65.260 8.186 -8.905 1.00 0.00 C ATOM 2205 CG GLU B 36 65.587 8.636 -10.329 1.00 0.00 C ATOM 2206 CD GLU B 36 65.166 10.094 -10.515 1.00 0.00 C ATOM 2207 OE1 GLU B 36 64.550 10.633 -9.610 1.00 0.00 O ATOM 2208 OE2 GLU B 36 65.465 10.648 -11.561 1.00 0.00 O ATOM 0 H GLU B 36 65.022 7.005 -6.722 1.00 0.00 H new ATOM 0 HA GLU B 36 64.863 6.137 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU B 36 64.221 8.417 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU B 36 65.878 8.729 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU B 36 66.655 8.528 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU B 36 65.069 8.003 -11.049 1.00 0.00 H new ATOM 2215 N LEU B 37 67.850 6.575 -8.203 1.00 0.00 N ATOM 2216 CA LEU B 37 69.274 6.288 -8.489 1.00 0.00 C ATOM 2217 C LEU B 37 69.453 4.784 -8.590 1.00 0.00 C ATOM 2218 O LEU B 37 70.254 4.291 -9.359 1.00 0.00 O ATOM 2219 CB LEU B 37 70.143 6.865 -7.357 1.00 0.00 C ATOM 2220 CG LEU B 37 71.648 6.777 -7.715 1.00 0.00 C ATOM 2221 CD1 LEU B 37 72.422 7.849 -6.931 1.00 0.00 C ATOM 2222 CD2 LEU B 37 72.231 5.376 -7.389 1.00 0.00 C ATOM 0 H LEU B 37 67.655 6.927 -7.266 1.00 0.00 H new ATOM 0 HA LEU B 37 69.579 6.748 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU B 37 69.868 7.904 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU B 37 69.952 6.319 -6.433 1.00 0.00 H new ATOM 0 HG LEU B 37 71.752 6.944 -8.787 1.00 0.00 H new ATOM 0 HD11 LEU B 37 73.481 7.789 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU B 37 72.043 8.837 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU B 37 72.292 7.683 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU B 37 73.288 5.351 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU B 37 72.118 5.174 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU B 37 71.696 4.617 -7.961 1.00 0.00 H new ATOM 2234 N LEU B 38 68.726 4.046 -7.803 1.00 0.00 N ATOM 2235 CA LEU B 38 68.896 2.562 -7.848 1.00 0.00 C ATOM 2236 C LEU B 38 68.361 1.963 -9.153 1.00 0.00 C ATOM 2237 O LEU B 38 68.941 1.048 -9.704 1.00 0.00 O ATOM 2238 CB LEU B 38 68.177 1.920 -6.657 1.00 0.00 C ATOM 2239 CG LEU B 38 68.308 0.391 -6.711 1.00 0.00 C ATOM 2240 CD1 LEU B 38 69.790 -0.008 -6.778 1.00 0.00 C ATOM 2241 CD2 LEU B 38 67.670 -0.202 -5.450 1.00 0.00 C ATOM 0 H LEU B 38 68.033 4.393 -7.140 1.00 0.00 H new ATOM 0 HA LEU B 38 69.964 2.352 -7.797 1.00 0.00 H new ATOM 0 HB2 LEU B 38 68.599 2.294 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU B 38 67.124 2.201 -6.666 1.00 0.00 H new ATOM 0 HG LEU B 38 67.803 0.010 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU B 38 69.873 -1.094 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU B 38 70.243 0.422 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU B 38 70.307 0.365 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU B 38 67.756 -1.288 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU B 38 68.182 0.182 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU B 38 66.617 0.078 -5.409 1.00 0.00 H new ATOM 2253 N THR B 39 67.253 2.439 -9.636 1.00 0.00 N ATOM 2254 CA THR B 39 66.673 1.862 -10.885 1.00 0.00 C ATOM 2255 C THR B 39 67.378 2.394 -12.111 1.00 0.00 C ATOM 2256 O THR B 39 67.339 1.793 -13.166 1.00 0.00 O ATOM 2257 CB THR B 39 65.208 2.252 -10.984 1.00 0.00 C ATOM 2258 OG1 THR B 39 65.098 3.668 -11.019 1.00 0.00 O ATOM 2259 CG2 THR B 39 64.475 1.713 -9.774 1.00 0.00 C ATOM 0 H THR B 39 66.719 3.204 -9.223 1.00 0.00 H new ATOM 0 HA THR B 39 66.792 0.779 -10.841 1.00 0.00 H new ATOM 0 HB THR B 39 64.772 1.837 -11.893 1.00 0.00 H new ATOM 0 HG1 THR B 39 65.141 4.022 -10.106 1.00 0.00 H new ATOM 0 HG21 THR B 39 63.422 1.987 -9.835 1.00 0.00 H new ATOM 0 HG22 THR B 39 64.566 0.627 -9.747 1.00 0.00 H new ATOM 0 HG23 THR B 39 64.908 2.136 -8.868 1.00 0.00 H new ATOM 2267 N ARG B 40 67.990 3.531 -12.008 1.00 0.00 N ATOM 2268 CA ARG B 40 68.654 4.107 -13.200 1.00 0.00 C ATOM 2269 C ARG B 40 70.081 3.596 -13.302 1.00 0.00 C ATOM 2270 O ARG B 40 70.710 3.705 -14.336 1.00 0.00 O ATOM 2271 CB ARG B 40 68.662 5.635 -13.114 1.00 0.00 C ATOM 2272 CG ARG B 40 67.239 6.169 -13.305 1.00 0.00 C ATOM 2273 CD ARG B 40 67.281 7.700 -13.332 1.00 0.00 C ATOM 2274 NE ARG B 40 65.888 8.260 -13.275 1.00 0.00 N ATOM 2275 CZ ARG B 40 64.980 7.947 -14.164 1.00 0.00 C ATOM 2276 NH1 ARG B 40 65.297 7.262 -15.227 1.00 0.00 N ATOM 2277 NH2 ARG B 40 63.754 8.373 -14.013 1.00 0.00 N ATOM 0 H ARG B 40 68.060 4.085 -11.155 1.00 0.00 H new ATOM 0 HA ARG B 40 68.099 3.802 -14.087 1.00 0.00 H new ATOM 0 HB2 ARG B 40 69.054 5.953 -12.148 1.00 0.00 H new ATOM 0 HB3 ARG B 40 69.322 6.049 -13.877 1.00 0.00 H new ATOM 0 HG2 ARG B 40 66.815 5.787 -14.234 1.00 0.00 H new ATOM 0 HG3 ARG B 40 66.596 5.824 -12.496 1.00 0.00 H new ATOM 0 HD2 ARG B 40 67.864 8.070 -12.488 1.00 0.00 H new ATOM 0 HD3 ARG B 40 67.781 8.041 -14.239 1.00 0.00 H new ATOM 0 HE ARG B 40 65.643 8.903 -12.522 1.00 0.00 H new ATOM 0 HH11 ARG B 40 66.262 6.964 -15.373 1.00 0.00 H new ATOM 0 HH12 ARG B 40 64.580 7.024 -15.913 1.00 0.00 H new ATOM 0 HH21 ARG B 40 63.509 8.946 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG B 40 63.042 8.132 -14.703 1.00 0.00 H new ATOM 2291 N GLU B 41 70.606 3.045 -12.236 1.00 0.00 N ATOM 2292 CA GLU B 41 72.011 2.535 -12.274 1.00 0.00 C ATOM 2293 C GLU B 41 72.002 1.024 -12.268 1.00 0.00 C ATOM 2294 O GLU B 41 72.888 0.402 -12.810 1.00 0.00 O ATOM 2295 CB GLU B 41 72.776 3.059 -11.057 1.00 0.00 C ATOM 2296 CG GLU B 41 74.281 2.876 -11.270 1.00 0.00 C ATOM 2297 CD GLU B 41 74.767 3.842 -12.354 1.00 0.00 C ATOM 2298 OE1 GLU B 41 74.073 4.812 -12.610 1.00 0.00 O ATOM 2299 OE2 GLU B 41 75.823 3.593 -12.911 1.00 0.00 O ATOM 0 H GLU B 41 70.125 2.927 -11.345 1.00 0.00 H new ATOM 0 HA GLU B 41 72.502 2.884 -13.183 1.00 0.00 H new ATOM 0 HB2 GLU B 41 72.548 4.113 -10.899 1.00 0.00 H new ATOM 0 HB3 GLU B 41 72.459 2.526 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU B 41 74.816 3.060 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU B 41 74.495 1.848 -11.562 1.00 0.00 H new ATOM 2306 N LEU B 42 71.003 0.416 -11.685 1.00 0.00 N ATOM 2307 CA LEU B 42 70.955 -1.085 -11.683 1.00 0.00 C ATOM 2308 C LEU B 42 69.515 -1.546 -11.981 1.00 0.00 C ATOM 2309 O LEU B 42 68.788 -1.909 -11.078 1.00 0.00 O ATOM 2310 CB LEU B 42 71.380 -1.640 -10.313 1.00 0.00 C ATOM 2311 CG LEU B 42 72.753 -1.094 -9.889 1.00 0.00 C ATOM 2312 CD1 LEU B 42 72.983 -1.414 -8.408 1.00 0.00 C ATOM 2313 CD2 LEU B 42 73.863 -1.761 -10.712 1.00 0.00 C ATOM 0 H LEU B 42 70.226 0.881 -11.215 1.00 0.00 H new ATOM 0 HA LEU B 42 71.640 -1.457 -12.445 1.00 0.00 H new ATOM 0 HB2 LEU B 42 70.634 -1.375 -9.564 1.00 0.00 H new ATOM 0 HB3 LEU B 42 71.417 -2.729 -10.355 1.00 0.00 H new ATOM 0 HG LEU B 42 72.774 -0.017 -10.055 1.00 0.00 H new ATOM 0 HD11 LEU B 42 73.955 -1.030 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU B 42 72.201 -0.947 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU B 42 72.956 -2.494 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU B 42 74.831 -1.367 -10.404 1.00 0.00 H new ATOM 0 HD22 LEU B 42 73.841 -2.838 -10.548 1.00 0.00 H new ATOM 0 HD23 LEU B 42 73.707 -1.552 -11.770 1.00 0.00 H new ATOM 2325 N PRO B 43 69.091 -1.521 -13.226 1.00 0.00 N ATOM 2326 CA PRO B 43 67.701 -1.939 -13.578 1.00 0.00 C ATOM 2327 C PRO B 43 67.494 -3.471 -13.559 1.00 0.00 C ATOM 2328 O PRO B 43 67.184 -4.048 -12.536 1.00 0.00 O ATOM 2329 CB PRO B 43 67.547 -1.354 -14.996 1.00 0.00 C ATOM 2330 CG PRO B 43 68.957 -1.056 -15.543 1.00 0.00 C ATOM 2331 CD PRO B 43 69.947 -1.072 -14.362 1.00 0.00 C ATOM 0 HA PRO B 43 66.959 -1.586 -12.862 1.00 0.00 H new ATOM 0 HB2 PRO B 43 67.027 -2.059 -15.645 1.00 0.00 H new ATOM 0 HB3 PRO B 43 66.948 -0.444 -14.970 1.00 0.00 H new ATOM 0 HG2 PRO B 43 69.241 -1.800 -16.287 1.00 0.00 H new ATOM 0 HG3 PRO B 43 68.974 -0.086 -16.040 1.00 0.00 H new ATOM 0 HD2 PRO B 43 70.778 -1.755 -14.539 1.00 0.00 H new ATOM 0 HD3 PRO B 43 70.378 -0.087 -14.181 1.00 0.00 H new ATOM 2339 N SER B 44 67.641 -4.125 -14.683 1.00 0.00 N ATOM 2340 CA SER B 44 67.430 -5.605 -14.736 1.00 0.00 C ATOM 2341 C SER B 44 68.577 -6.333 -14.034 1.00 0.00 C ATOM 2342 O SER B 44 68.493 -7.507 -13.746 1.00 0.00 O ATOM 2343 CB SER B 44 67.355 -6.058 -16.196 1.00 0.00 C ATOM 2344 OG SER B 44 67.204 -7.472 -16.243 1.00 0.00 O ATOM 0 H SER B 44 67.899 -3.696 -15.571 1.00 0.00 H new ATOM 0 HA SER B 44 66.497 -5.846 -14.227 1.00 0.00 H new ATOM 0 HB2 SER B 44 66.516 -5.574 -16.696 1.00 0.00 H new ATOM 0 HB3 SER B 44 68.258 -5.759 -16.728 1.00 0.00 H new ATOM 0 HG SER B 44 67.471 -7.858 -15.383 1.00 0.00 H new ATOM 2350 N PHE B 45 69.654 -5.652 -13.776 1.00 0.00 N ATOM 2351 CA PHE B 45 70.816 -6.302 -13.105 1.00 0.00 C ATOM 2352 C PHE B 45 70.575 -6.384 -11.597 1.00 0.00 C ATOM 2353 O PHE B 45 71.311 -7.024 -10.872 1.00 0.00 O ATOM 2354 CB PHE B 45 72.046 -5.448 -13.355 1.00 0.00 C ATOM 2355 CG PHE B 45 72.441 -5.543 -14.811 1.00 0.00 C ATOM 2356 CD1 PHE B 45 71.911 -4.640 -15.739 1.00 0.00 C ATOM 2357 CD2 PHE B 45 73.343 -6.529 -15.231 1.00 0.00 C ATOM 2358 CE1 PHE B 45 72.280 -4.721 -17.087 1.00 0.00 C ATOM 2359 CE2 PHE B 45 73.712 -6.611 -16.579 1.00 0.00 C ATOM 2360 CZ PHE B 45 73.181 -5.706 -17.508 1.00 0.00 C ATOM 0 H PHE B 45 69.783 -4.666 -14.002 1.00 0.00 H new ATOM 0 HA PHE B 45 70.951 -7.309 -13.501 1.00 0.00 H new ATOM 0 HB2 PHE B 45 71.841 -4.411 -13.090 1.00 0.00 H new ATOM 0 HB3 PHE B 45 72.868 -5.782 -12.722 1.00 0.00 H new ATOM 0 HD1 PHE B 45 71.216 -3.879 -15.415 1.00 0.00 H new ATOM 0 HD2 PHE B 45 73.754 -7.226 -14.515 1.00 0.00 H new ATOM 0 HE1 PHE B 45 71.869 -4.023 -17.802 1.00 0.00 H new ATOM 0 HE2 PHE B 45 74.406 -7.372 -16.903 1.00 0.00 H new ATOM 0 HZ PHE B 45 73.467 -5.769 -18.548 1.00 0.00 H new ATOM 2370 N LEU B 46 69.555 -5.729 -11.122 1.00 0.00 N ATOM 2371 CA LEU B 46 69.254 -5.744 -9.650 1.00 0.00 C ATOM 2372 C LEU B 46 67.749 -5.813 -9.462 1.00 0.00 C ATOM 2373 O LEU B 46 67.240 -6.584 -8.670 1.00 0.00 O ATOM 2374 CB LEU B 46 69.798 -4.463 -9.003 1.00 0.00 C ATOM 2375 CG LEU B 46 69.276 -4.316 -7.545 1.00 0.00 C ATOM 2376 CD1 LEU B 46 70.404 -3.816 -6.628 1.00 0.00 C ATOM 2377 CD2 LEU B 46 68.115 -3.306 -7.497 1.00 0.00 C ATOM 0 H LEU B 46 68.908 -5.178 -11.687 1.00 0.00 H new ATOM 0 HA LEU B 46 69.726 -6.607 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU B 46 70.888 -4.484 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU B 46 69.496 -3.597 -9.591 1.00 0.00 H new ATOM 0 HG LEU B 46 68.929 -5.292 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU B 46 70.028 -3.717 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU B 46 71.228 -4.529 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU B 46 70.757 -2.847 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU B 46 67.757 -3.211 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU B 46 68.462 -2.336 -7.852 1.00 0.00 H new ATOM 0 HD23 LEU B 46 67.302 -3.655 -8.134 1.00 0.00 H new ATOM 2389 N GLY B 47 67.030 -5.047 -10.227 1.00 0.00 N ATOM 2390 CA GLY B 47 65.549 -5.096 -10.149 1.00 0.00 C ATOM 2391 C GLY B 47 65.140 -6.333 -10.926 1.00 0.00 C ATOM 2392 O GLY B 47 64.000 -6.523 -11.301 1.00 0.00 O ATOM 0 H GLY B 47 67.407 -4.386 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY B 47 65.213 -5.154 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY B 47 65.104 -4.198 -10.578 1.00 0.00 H new ATOM 2396 N LYS B 48 66.113 -7.162 -11.181 1.00 0.00 N ATOM 2397 CA LYS B 48 65.901 -8.404 -11.946 1.00 0.00 C ATOM 2398 C LYS B 48 64.631 -9.110 -11.457 1.00 0.00 C ATOM 2399 O LYS B 48 64.112 -9.997 -12.105 1.00 0.00 O ATOM 2400 CB LYS B 48 67.108 -9.309 -11.716 1.00 0.00 C ATOM 2401 CG LYS B 48 67.081 -10.477 -12.692 1.00 0.00 C ATOM 2402 CD LYS B 48 68.414 -11.213 -12.603 1.00 0.00 C ATOM 2403 CE LYS B 48 68.348 -12.501 -13.423 1.00 0.00 C ATOM 2404 NZ LYS B 48 68.161 -12.166 -14.862 1.00 0.00 N ATOM 0 H LYS B 48 67.076 -7.017 -10.877 1.00 0.00 H new ATOM 0 HA LYS B 48 65.787 -8.178 -13.006 1.00 0.00 H new ATOM 0 HB2 LYS B 48 68.029 -8.740 -11.844 1.00 0.00 H new ATOM 0 HB3 LYS B 48 67.103 -9.681 -10.692 1.00 0.00 H new ATOM 0 HG2 LYS B 48 66.259 -11.152 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS B 48 66.913 -10.118 -13.708 1.00 0.00 H new ATOM 0 HD2 LYS B 48 69.217 -10.576 -12.973 1.00 0.00 H new ATOM 0 HD3 LYS B 48 68.644 -11.444 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS B 48 69.264 -13.077 -13.289 1.00 0.00 H new ATOM 0 HE3 LYS B 48 67.525 -13.125 -13.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 68.318 -13.016 -15.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 67.193 -11.818 -15.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 68.841 -11.429 -15.138 1.00 0.00 H new ATOM 2418 N ARG B 49 64.137 -8.719 -10.310 1.00 0.00 N ATOM 2419 CA ARG B 49 62.905 -9.350 -9.745 1.00 0.00 C ATOM 2420 C ARG B 49 63.273 -10.687 -9.083 1.00 0.00 C ATOM 2421 O ARG B 49 62.474 -11.598 -9.017 1.00 0.00 O ATOM 2422 CB ARG B 49 61.857 -9.571 -10.867 1.00 0.00 C ATOM 2423 CG ARG B 49 60.436 -9.310 -10.342 1.00 0.00 C ATOM 2424 CD ARG B 49 60.073 -10.354 -9.283 1.00 0.00 C ATOM 2425 NE ARG B 49 58.632 -10.219 -8.925 1.00 0.00 N ATOM 2426 CZ ARG B 49 58.040 -11.162 -8.245 1.00 0.00 C ATOM 2427 NH1 ARG B 49 58.715 -12.208 -7.858 1.00 0.00 N ATOM 2428 NH2 ARG B 49 56.773 -11.057 -7.948 1.00 0.00 N ATOM 0 H ARG B 49 64.540 -7.980 -9.734 1.00 0.00 H new ATOM 0 HA ARG B 49 62.471 -8.689 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG B 49 62.068 -8.907 -11.705 1.00 0.00 H new ATOM 0 HB3 ARG B 49 61.929 -10.591 -11.243 1.00 0.00 H new ATOM 0 HG2 ARG B 49 60.375 -8.309 -9.915 1.00 0.00 H new ATOM 0 HG3 ARG B 49 59.722 -9.350 -11.164 1.00 0.00 H new ATOM 0 HD2 ARG B 49 60.272 -11.356 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG B 49 60.693 -10.219 -8.397 1.00 0.00 H new ATOM 0 HE ARG B 49 58.110 -9.391 -9.211 1.00 0.00 H new ATOM 0 HH11 ARG B 49 59.706 -12.289 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG B 49 58.252 -12.945 -7.326 1.00 0.00 H new ATOM 0 HH21 ARG B 49 56.245 -10.237 -8.248 1.00 0.00 H new ATOM 0 HH22 ARG B 49 56.311 -11.795 -7.416 1.00 0.00 H new ATOM 2442 N THR B 50 64.471 -10.806 -8.579 1.00 0.00 N ATOM 2443 CA THR B 50 64.868 -12.079 -7.911 1.00 0.00 C ATOM 2444 C THR B 50 64.299 -12.092 -6.491 1.00 0.00 C ATOM 2445 O THR B 50 63.397 -12.847 -6.184 1.00 0.00 O ATOM 2446 CB THR B 50 66.395 -12.181 -7.851 1.00 0.00 C ATOM 2447 OG1 THR B 50 66.928 -12.050 -9.161 1.00 0.00 O ATOM 2448 CG2 THR B 50 66.794 -13.538 -7.266 1.00 0.00 C ATOM 0 H THR B 50 65.189 -10.082 -8.600 1.00 0.00 H new ATOM 0 HA THR B 50 64.478 -12.926 -8.476 1.00 0.00 H new ATOM 0 HB THR B 50 66.789 -11.386 -7.218 1.00 0.00 H new ATOM 0 HG1 THR B 50 67.905 -12.113 -9.124 1.00 0.00 H new ATOM 0 HG21 THR B 50 67.881 -13.610 -7.223 1.00 0.00 H new ATOM 0 HG22 THR B 50 66.384 -13.636 -6.261 1.00 0.00 H new ATOM 0 HG23 THR B 50 66.402 -14.336 -7.897 1.00 0.00 H new ATOM 2456 N ASP B 51 64.818 -11.258 -5.622 1.00 0.00 N ATOM 2457 CA ASP B 51 64.309 -11.209 -4.215 1.00 0.00 C ATOM 2458 C ASP B 51 63.439 -9.963 -4.036 1.00 0.00 C ATOM 2459 O ASP B 51 63.931 -8.857 -3.932 1.00 0.00 O ATOM 2460 CB ASP B 51 65.496 -11.141 -3.254 1.00 0.00 C ATOM 2461 CG ASP B 51 66.252 -12.470 -3.287 1.00 0.00 C ATOM 2462 OD1 ASP B 51 65.665 -13.454 -3.708 1.00 0.00 O ATOM 2463 OD2 ASP B 51 67.407 -12.482 -2.893 1.00 0.00 O ATOM 0 H ASP B 51 65.575 -10.607 -5.828 1.00 0.00 H new ATOM 0 HA ASP B 51 63.718 -12.100 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP B 51 66.161 -10.325 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP B 51 65.148 -10.933 -2.242 1.00 0.00 H new ATOM 2468 N GLU B 52 62.149 -10.137 -4.002 1.00 0.00 N ATOM 2469 CA GLU B 52 61.230 -8.975 -3.832 1.00 0.00 C ATOM 2470 C GLU B 52 61.375 -8.396 -2.424 1.00 0.00 C ATOM 2471 O GLU B 52 61.337 -7.197 -2.230 1.00 0.00 O ATOM 2472 CB GLU B 52 59.786 -9.434 -4.058 1.00 0.00 C ATOM 2473 CG GLU B 52 58.829 -8.250 -3.899 1.00 0.00 C ATOM 2474 CD GLU B 52 57.402 -8.699 -4.221 1.00 0.00 C ATOM 2475 OE1 GLU B 52 57.228 -9.863 -4.546 1.00 0.00 O ATOM 2476 OE2 GLU B 52 56.509 -7.873 -4.140 1.00 0.00 O ATOM 0 H GLU B 52 61.686 -11.042 -4.085 1.00 0.00 H new ATOM 0 HA GLU B 52 61.485 -8.203 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU B 52 59.684 -9.863 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU B 52 59.529 -10.218 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU B 52 58.879 -7.863 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU B 52 59.125 -7.438 -4.564 1.00 0.00 H new ATOM 2483 N ALA B 53 61.516 -9.235 -1.438 1.00 0.00 N ATOM 2484 CA ALA B 53 61.634 -8.727 -0.044 1.00 0.00 C ATOM 2485 C ALA B 53 62.852 -7.808 0.080 1.00 0.00 C ATOM 2486 O ALA B 53 62.756 -6.714 0.601 1.00 0.00 O ATOM 2487 CB ALA B 53 61.796 -9.913 0.907 1.00 0.00 C ATOM 0 H ALA B 53 61.555 -10.250 -1.536 1.00 0.00 H new ATOM 0 HA ALA B 53 60.737 -8.163 0.211 1.00 0.00 H new ATOM 0 HB1 ALA B 53 61.883 -9.549 1.931 1.00 0.00 H new ATOM 0 HB2 ALA B 53 60.926 -10.565 0.827 1.00 0.00 H new ATOM 0 HB3 ALA B 53 62.694 -10.471 0.643 1.00 0.00 H new ATOM 2493 N ALA B 54 63.993 -8.229 -0.388 1.00 0.00 N ATOM 2494 CA ALA B 54 65.193 -7.353 -0.279 1.00 0.00 C ATOM 2495 C ALA B 54 64.947 -6.044 -1.026 1.00 0.00 C ATOM 2496 O ALA B 54 65.203 -4.968 -0.525 1.00 0.00 O ATOM 2497 CB ALA B 54 66.398 -8.036 -0.895 1.00 0.00 C ATOM 0 H ALA B 54 64.147 -9.132 -0.837 1.00 0.00 H new ATOM 0 HA ALA B 54 65.380 -7.155 0.776 1.00 0.00 H new ATOM 0 HB1 ALA B 54 67.268 -7.386 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA B 54 66.592 -8.973 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA B 54 66.201 -8.242 -1.947 1.00 0.00 H new ATOM 2503 N PHE B 55 64.460 -6.126 -2.231 1.00 0.00 N ATOM 2504 CA PHE B 55 64.207 -4.887 -3.009 1.00 0.00 C ATOM 2505 C PHE B 55 63.205 -4.025 -2.252 1.00 0.00 C ATOM 2506 O PHE B 55 63.332 -2.819 -2.170 1.00 0.00 O ATOM 2507 CB PHE B 55 63.604 -5.255 -4.353 1.00 0.00 C ATOM 2508 CG PHE B 55 63.382 -3.999 -5.159 1.00 0.00 C ATOM 2509 CD1 PHE B 55 62.200 -3.267 -5.002 1.00 0.00 C ATOM 2510 CD2 PHE B 55 64.364 -3.561 -6.053 1.00 0.00 C ATOM 2511 CE1 PHE B 55 61.999 -2.097 -5.743 1.00 0.00 C ATOM 2512 CE2 PHE B 55 64.164 -2.391 -6.795 1.00 0.00 C ATOM 2513 CZ PHE B 55 62.982 -1.659 -6.639 1.00 0.00 C ATOM 0 H PHE B 55 64.227 -6.996 -2.709 1.00 0.00 H new ATOM 0 HA PHE B 55 65.143 -4.347 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE B 55 64.268 -5.933 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE B 55 62.660 -5.781 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE B 55 61.443 -3.605 -4.309 1.00 0.00 H new ATOM 0 HD2 PHE B 55 65.277 -4.126 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE B 55 61.086 -1.532 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE B 55 64.921 -2.054 -7.487 1.00 0.00 H new ATOM 0 HZ PHE B 55 62.828 -0.755 -7.210 1.00 0.00 H new ATOM 2523 N GLN B 56 62.204 -4.647 -1.697 1.00 0.00 N ATOM 2524 CA GLN B 56 61.176 -3.884 -0.939 1.00 0.00 C ATOM 2525 C GLN B 56 61.822 -3.328 0.315 1.00 0.00 C ATOM 2526 O GLN B 56 61.449 -2.292 0.818 1.00 0.00 O ATOM 2527 CB GLN B 56 60.007 -4.800 -0.565 1.00 0.00 C ATOM 2528 CG GLN B 56 58.914 -3.981 0.127 1.00 0.00 C ATOM 2529 CD GLN B 56 57.741 -4.893 0.497 1.00 0.00 C ATOM 2530 OE1 GLN B 56 57.939 -6.011 0.928 1.00 0.00 O ATOM 2531 NE2 GLN B 56 56.518 -4.459 0.345 1.00 0.00 N ATOM 0 H GLN B 56 62.053 -5.655 -1.736 1.00 0.00 H new ATOM 0 HA GLN B 56 60.789 -3.071 -1.553 1.00 0.00 H new ATOM 0 HB2 GLN B 56 59.606 -5.278 -1.459 1.00 0.00 H new ATOM 0 HB3 GLN B 56 60.352 -5.596 0.095 1.00 0.00 H new ATOM 0 HG2 GLN B 56 59.314 -3.506 1.023 1.00 0.00 H new ATOM 0 HG3 GLN B 56 58.573 -3.183 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN B 56 56.351 -3.520 -0.017 1.00 0.00 H new ATOM 0 HE22 GLN B 56 55.730 -5.059 0.588 1.00 0.00 H new ATOM 2540 N LYS B 57 62.805 -4.013 0.804 1.00 0.00 N ATOM 2541 CA LYS B 57 63.520 -3.542 2.020 1.00 0.00 C ATOM 2542 C LYS B 57 64.323 -2.302 1.643 1.00 0.00 C ATOM 2543 O LYS B 57 64.366 -1.332 2.374 1.00 0.00 O ATOM 2544 CB LYS B 57 64.413 -4.680 2.552 1.00 0.00 C ATOM 2545 CG LYS B 57 65.619 -4.131 3.335 1.00 0.00 C ATOM 2546 CD LYS B 57 66.144 -5.185 4.322 1.00 0.00 C ATOM 2547 CE LYS B 57 66.750 -6.359 3.548 1.00 0.00 C ATOM 2548 NZ LYS B 57 67.499 -7.243 4.489 1.00 0.00 N ATOM 0 H LYS B 57 63.151 -4.889 0.413 1.00 0.00 H new ATOM 0 HA LYS B 57 62.827 -3.274 2.818 1.00 0.00 H new ATOM 0 HB2 LYS B 57 63.826 -5.333 3.197 1.00 0.00 H new ATOM 0 HB3 LYS B 57 64.765 -5.288 1.718 1.00 0.00 H new ATOM 0 HG2 LYS B 57 66.411 -3.846 2.642 1.00 0.00 H new ATOM 0 HG3 LYS B 57 65.330 -3.230 3.876 1.00 0.00 H new ATOM 0 HD2 LYS B 57 66.895 -4.742 4.977 1.00 0.00 H new ATOM 0 HD3 LYS B 57 65.333 -5.537 4.959 1.00 0.00 H new ATOM 0 HE2 LYS B 57 65.963 -6.925 3.050 1.00 0.00 H new ATOM 0 HE3 LYS B 57 67.418 -5.989 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 67.911 -8.040 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 68.260 -6.700 4.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 66.850 -7.606 5.216 1.00 0.00 H new ATOM 2562 N LEU B 58 64.915 -2.304 0.485 1.00 0.00 N ATOM 2563 CA LEU B 58 65.657 -1.098 0.051 1.00 0.00 C ATOM 2564 C LEU B 58 64.600 -0.035 -0.181 1.00 0.00 C ATOM 2565 O LEU B 58 64.744 1.109 0.181 1.00 0.00 O ATOM 2566 CB LEU B 58 66.445 -1.382 -1.244 1.00 0.00 C ATOM 2567 CG LEU B 58 67.870 -1.855 -0.908 1.00 0.00 C ATOM 2568 CD1 LEU B 58 67.829 -3.255 -0.297 1.00 0.00 C ATOM 2569 CD2 LEU B 58 68.711 -1.893 -2.182 1.00 0.00 C ATOM 0 H LEU B 58 64.916 -3.083 -0.174 1.00 0.00 H new ATOM 0 HA LEU B 58 66.388 -0.781 0.795 1.00 0.00 H new ATOM 0 HB2 LEU B 58 65.931 -2.143 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU B 58 66.488 -0.481 -1.857 1.00 0.00 H new ATOM 0 HG LEU B 58 68.311 -1.161 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU B 58 68.843 -3.580 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU B 58 67.234 -3.236 0.616 1.00 0.00 H new ATOM 0 HD13 LEU B 58 67.381 -3.949 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU B 58 69.720 -2.228 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU B 58 68.260 -2.582 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU B 58 68.754 -0.895 -2.619 1.00 0.00 H new ATOM 2581 N MET B 59 63.506 -0.430 -0.746 1.00 0.00 N ATOM 2582 CA MET B 59 62.403 0.534 -0.951 1.00 0.00 C ATOM 2583 C MET B 59 61.916 0.949 0.427 1.00 0.00 C ATOM 2584 O MET B 59 61.614 2.097 0.683 1.00 0.00 O ATOM 2585 CB MET B 59 61.265 -0.121 -1.735 1.00 0.00 C ATOM 2586 CG MET B 59 60.271 0.940 -2.202 1.00 0.00 C ATOM 2587 SD MET B 59 58.926 0.137 -3.111 1.00 0.00 S ATOM 2588 CE MET B 59 57.862 1.590 -3.283 1.00 0.00 C ATOM 0 H MET B 59 63.326 -1.378 -1.075 1.00 0.00 H new ATOM 0 HA MET B 59 62.744 1.398 -1.521 1.00 0.00 H new ATOM 0 HB2 MET B 59 61.667 -0.657 -2.595 1.00 0.00 H new ATOM 0 HB3 MET B 59 60.758 -0.856 -1.110 1.00 0.00 H new ATOM 0 HG2 MET B 59 59.873 1.484 -1.346 1.00 0.00 H new ATOM 0 HG3 MET B 59 60.772 1.669 -2.839 1.00 0.00 H new ATOM 0 HE1 MET B 59 56.957 1.316 -3.825 1.00 0.00 H new ATOM 0 HE2 MET B 59 57.594 1.964 -2.295 1.00 0.00 H new ATOM 0 HE3 MET B 59 58.393 2.367 -3.833 1.00 0.00 H new ATOM 2598 N SER B 60 61.853 0.012 1.326 1.00 0.00 N ATOM 2599 CA SER B 60 61.409 0.347 2.704 1.00 0.00 C ATOM 2600 C SER B 60 62.381 1.360 3.299 1.00 0.00 C ATOM 2601 O SER B 60 62.031 2.123 4.177 1.00 0.00 O ATOM 2602 CB SER B 60 61.392 -0.915 3.567 1.00 0.00 C ATOM 2603 OG SER B 60 60.635 -0.667 4.743 1.00 0.00 O ATOM 0 H SER B 60 62.089 -0.968 1.168 1.00 0.00 H new ATOM 0 HA SER B 60 60.404 0.767 2.674 1.00 0.00 H new ATOM 0 HB2 SER B 60 60.958 -1.745 3.010 1.00 0.00 H new ATOM 0 HB3 SER B 60 62.410 -1.204 3.829 1.00 0.00 H new ATOM 0 HG SER B 60 60.620 -1.474 5.299 1.00 0.00 H new ATOM 2609 N ASN B 61 63.600 1.391 2.826 1.00 0.00 N ATOM 2610 CA ASN B 61 64.554 2.388 3.391 1.00 0.00 C ATOM 2611 C ASN B 61 64.013 3.767 3.055 1.00 0.00 C ATOM 2612 O ASN B 61 64.154 4.708 3.810 1.00 0.00 O ATOM 2613 CB ASN B 61 65.966 2.212 2.829 1.00 0.00 C ATOM 2614 CG ASN B 61 66.567 0.918 3.379 1.00 0.00 C ATOM 2615 OD1 ASN B 61 66.232 0.496 4.469 1.00 0.00 O ATOM 2616 ND2 ASN B 61 67.448 0.266 2.673 1.00 0.00 N ATOM 0 H ASN B 61 63.969 0.786 2.092 1.00 0.00 H new ATOM 0 HA ASN B 61 64.635 2.250 4.469 1.00 0.00 H new ATOM 0 HB2 ASN B 61 65.936 2.179 1.740 1.00 0.00 H new ATOM 0 HB3 ASN B 61 66.589 3.063 3.105 1.00 0.00 H new ATOM 0 HD21 ASN B 61 67.855 -0.596 3.035 1.00 0.00 H new ATOM 0 HD22 ASN B 61 67.730 0.618 1.758 1.00 0.00 H new ATOM 2623 N LEU B 62 63.345 3.882 1.937 1.00 0.00 N ATOM 2624 CA LEU B 62 62.743 5.188 1.573 1.00 0.00 C ATOM 2625 C LEU B 62 61.786 5.519 2.709 1.00 0.00 C ATOM 2626 O LEU B 62 61.616 6.655 3.105 1.00 0.00 O ATOM 2627 CB LEU B 62 61.950 5.058 0.267 1.00 0.00 C ATOM 2628 CG LEU B 62 62.788 4.347 -0.799 1.00 0.00 C ATOM 2629 CD1 LEU B 62 61.905 4.057 -2.015 1.00 0.00 C ATOM 2630 CD2 LEU B 62 63.954 5.240 -1.218 1.00 0.00 C ATOM 0 H LEU B 62 63.193 3.129 1.266 1.00 0.00 H new ATOM 0 HA LEU B 62 63.503 5.956 1.429 1.00 0.00 H new ATOM 0 HB2 LEU B 62 61.030 4.501 0.447 1.00 0.00 H new ATOM 0 HB3 LEU B 62 61.660 6.046 -0.089 1.00 0.00 H new ATOM 0 HG LEU B 62 63.180 3.414 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU B 62 62.494 3.550 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU B 62 61.073 3.420 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU B 62 61.519 4.994 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU B 62 64.548 4.731 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU B 62 63.568 6.174 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU B 62 64.579 5.453 -0.351 1.00 0.00 H new ATOM 2642 N ASP B 63 61.182 4.493 3.250 1.00 0.00 N ATOM 2643 CA ASP B 63 60.247 4.670 4.392 1.00 0.00 C ATOM 2644 C ASP B 63 61.041 4.541 5.696 1.00 0.00 C ATOM 2645 O ASP B 63 60.489 4.288 6.750 1.00 0.00 O ATOM 2646 CB ASP B 63 59.172 3.582 4.351 1.00 0.00 C ATOM 2647 CG ASP B 63 58.076 3.916 5.364 1.00 0.00 C ATOM 2648 OD1 ASP B 63 58.262 4.855 6.121 1.00 0.00 O ATOM 2649 OD2 ASP B 63 57.064 3.234 5.360 1.00 0.00 O ATOM 0 H ASP B 63 61.301 3.528 2.942 1.00 0.00 H new ATOM 0 HA ASP B 63 59.771 5.649 4.332 1.00 0.00 H new ATOM 0 HB2 ASP B 63 58.748 3.511 3.349 1.00 0.00 H new ATOM 0 HB3 ASP B 63 59.612 2.611 4.580 1.00 0.00 H new ATOM 2654 N SER B 64 62.340 4.694 5.629 1.00 0.00 N ATOM 2655 CA SER B 64 63.176 4.556 6.858 1.00 0.00 C ATOM 2656 C SER B 64 62.743 5.582 7.905 1.00 0.00 C ATOM 2657 O SER B 64 62.516 5.253 9.053 1.00 0.00 O ATOM 2658 CB SER B 64 64.642 4.813 6.509 1.00 0.00 C ATOM 2659 OG SER B 64 65.402 4.877 7.710 1.00 0.00 O ATOM 0 H SER B 64 62.856 4.908 4.776 1.00 0.00 H new ATOM 0 HA SER B 64 63.051 3.548 7.254 1.00 0.00 H new ATOM 0 HB2 SER B 64 65.020 4.018 5.866 1.00 0.00 H new ATOM 0 HB3 SER B 64 64.738 5.746 5.953 1.00 0.00 H new ATOM 0 HG SER B 64 66.344 5.040 7.493 1.00 0.00 H new ATOM 2665 N ASN B 65 62.634 6.825 7.523 1.00 0.00 N ATOM 2666 CA ASN B 65 62.222 7.874 8.499 1.00 0.00 C ATOM 2667 C ASN B 65 61.603 9.055 7.749 1.00 0.00 C ATOM 2668 O ASN B 65 61.663 9.132 6.538 1.00 0.00 O ATOM 2669 CB ASN B 65 63.447 8.344 9.286 1.00 0.00 C ATOM 2670 CG ASN B 65 63.908 7.223 10.221 1.00 0.00 C ATOM 2671 OD1 ASN B 65 65.022 6.750 10.117 1.00 0.00 O ATOM 2672 ND2 ASN B 65 63.091 6.778 11.137 1.00 0.00 N ATOM 0 H ASN B 65 62.813 7.160 6.576 1.00 0.00 H new ATOM 0 HA ASN B 65 61.486 7.463 9.189 1.00 0.00 H new ATOM 0 HB2 ASN B 65 64.251 8.616 8.602 1.00 0.00 H new ATOM 0 HB3 ASN B 65 63.203 9.237 9.862 1.00 0.00 H new ATOM 0 HD21 ASN B 65 63.388 6.032 11.766 1.00 0.00 H new ATOM 0 HD22 ASN B 65 62.156 7.176 11.223 1.00 0.00 H new ATOM 2679 N ARG B 66 61.000 9.969 8.457 1.00 0.00 N ATOM 2680 CA ARG B 66 60.371 11.139 7.781 1.00 0.00 C ATOM 2681 C ARG B 66 61.434 11.918 7.002 1.00 0.00 C ATOM 2682 O ARG B 66 61.194 12.386 5.906 1.00 0.00 O ATOM 2683 CB ARG B 66 59.729 12.057 8.824 1.00 0.00 C ATOM 2684 CG ARG B 66 58.499 11.368 9.420 1.00 0.00 C ATOM 2685 CD ARG B 66 57.808 12.306 10.414 1.00 0.00 C ATOM 2686 NE ARG B 66 58.726 12.612 11.549 1.00 0.00 N ATOM 2687 CZ ARG B 66 58.458 13.608 12.352 1.00 0.00 C ATOM 2688 NH1 ARG B 66 57.410 14.356 12.137 1.00 0.00 N ATOM 2689 NH2 ARG B 66 59.240 13.858 13.366 1.00 0.00 N ATOM 0 H ARG B 66 60.915 9.957 9.473 1.00 0.00 H new ATOM 0 HA ARG B 66 59.605 10.783 7.092 1.00 0.00 H new ATOM 0 HB2 ARG B 66 60.446 12.289 9.611 1.00 0.00 H new ATOM 0 HB3 ARG B 66 59.443 13.003 8.365 1.00 0.00 H new ATOM 0 HG2 ARG B 66 57.806 11.091 8.626 1.00 0.00 H new ATOM 0 HG3 ARG B 66 58.795 10.446 9.921 1.00 0.00 H new ATOM 0 HD2 ARG B 66 57.516 13.229 9.913 1.00 0.00 H new ATOM 0 HD3 ARG B 66 56.895 11.844 10.789 1.00 0.00 H new ATOM 0 HE ARG B 66 59.561 12.045 11.698 1.00 0.00 H new ATOM 0 HH11 ARG B 66 56.800 14.163 11.342 1.00 0.00 H new ATOM 0 HH12 ARG B 66 57.201 15.133 12.764 1.00 0.00 H new ATOM 0 HH21 ARG B 66 60.061 13.276 13.532 1.00 0.00 H new ATOM 0 HH22 ARG B 66 59.030 14.635 13.992 1.00 0.00 H new ATOM 2703 N ASP B 67 62.608 12.070 7.560 1.00 0.00 N ATOM 2704 CA ASP B 67 63.683 12.831 6.850 1.00 0.00 C ATOM 2705 C ASP B 67 65.057 12.256 7.210 1.00 0.00 C ATOM 2706 O ASP B 67 65.524 12.380 8.325 1.00 0.00 O ATOM 2707 CB ASP B 67 63.621 14.302 7.270 1.00 0.00 C ATOM 2708 CG ASP B 67 64.618 15.112 6.440 1.00 0.00 C ATOM 2709 OD1 ASP B 67 65.529 14.513 5.895 1.00 0.00 O ATOM 2710 OD2 ASP B 67 64.450 16.318 6.361 1.00 0.00 O ATOM 0 H ASP B 67 62.869 11.701 8.474 1.00 0.00 H new ATOM 0 HA ASP B 67 63.532 12.747 5.774 1.00 0.00 H new ATOM 0 HB2 ASP B 67 62.612 14.690 7.127 1.00 0.00 H new ATOM 0 HB3 ASP B 67 63.852 14.398 8.331 1.00 0.00 H new ATOM 2715 N ASN B 68 65.710 11.641 6.261 1.00 0.00 N ATOM 2716 CA ASN B 68 67.060 11.066 6.515 1.00 0.00 C ATOM 2717 C ASN B 68 67.765 10.880 5.171 1.00 0.00 C ATOM 2718 O ASN B 68 67.937 9.774 4.699 1.00 0.00 O ATOM 2719 CB ASN B 68 66.927 9.712 7.214 1.00 0.00 C ATOM 2720 CG ASN B 68 68.315 9.215 7.630 1.00 0.00 C ATOM 2721 OD1 ASN B 68 69.214 10.002 7.847 1.00 0.00 O ATOM 2722 ND2 ASN B 68 68.527 7.933 7.751 1.00 0.00 N ATOM 0 H ASN B 68 65.361 11.512 5.311 1.00 0.00 H new ATOM 0 HA ASN B 68 67.635 11.736 7.155 1.00 0.00 H new ATOM 0 HB2 ASN B 68 66.284 9.804 8.089 1.00 0.00 H new ATOM 0 HB3 ASN B 68 66.455 8.991 6.547 1.00 0.00 H new ATOM 0 HD21 ASN B 68 69.448 7.592 8.028 1.00 0.00 H new ATOM 0 HD22 ASN B 68 67.772 7.272 7.569 1.00 0.00 H new ATOM 2729 N GLU B 69 68.152 11.961 4.551 1.00 0.00 N ATOM 2730 CA GLU B 69 68.835 11.881 3.222 1.00 0.00 C ATOM 2731 C GLU B 69 69.953 10.837 3.251 1.00 0.00 C ATOM 2732 O GLU B 69 70.178 10.158 4.232 1.00 0.00 O ATOM 2733 CB GLU B 69 69.418 13.247 2.834 1.00 0.00 C ATOM 2734 CG GLU B 69 70.053 13.912 4.046 1.00 0.00 C ATOM 2735 CD GLU B 69 71.202 13.050 4.571 1.00 0.00 C ATOM 2736 OE1 GLU B 69 72.078 12.724 3.788 1.00 0.00 O ATOM 2737 OE2 GLU B 69 71.185 12.729 5.749 1.00 0.00 O ATOM 0 H GLU B 69 68.024 12.907 4.910 1.00 0.00 H new ATOM 0 HA GLU B 69 68.093 11.585 2.480 1.00 0.00 H new ATOM 0 HB2 GLU B 69 70.162 13.123 2.047 1.00 0.00 H new ATOM 0 HB3 GLU B 69 68.631 13.885 2.431 1.00 0.00 H new ATOM 0 HG2 GLU B 69 70.423 14.901 3.777 1.00 0.00 H new ATOM 0 HG3 GLU B 69 69.306 14.053 4.827 1.00 0.00 H new ATOM 2744 N VAL B 70 70.640 10.702 2.153 1.00 0.00 N ATOM 2745 CA VAL B 70 71.733 9.707 2.034 1.00 0.00 C ATOM 2746 C VAL B 70 73.084 10.404 2.066 1.00 0.00 C ATOM 2747 O VAL B 70 73.573 10.890 1.067 1.00 0.00 O ATOM 2748 CB VAL B 70 71.569 9.008 0.681 1.00 0.00 C ATOM 2749 CG1 VAL B 70 72.318 7.688 0.679 1.00 0.00 C ATOM 2750 CG2 VAL B 70 70.090 8.755 0.411 1.00 0.00 C ATOM 0 H VAL B 70 70.483 11.257 1.312 1.00 0.00 H new ATOM 0 HA VAL B 70 71.686 8.997 2.859 1.00 0.00 H new ATOM 0 HB VAL B 70 71.978 9.649 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL B 70 72.194 7.201 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL B 70 73.377 7.870 0.860 1.00 0.00 H new ATOM 0 HG13 VAL B 70 71.922 7.044 1.464 1.00 0.00 H new ATOM 0 HG21 VAL B 70 69.976 8.258 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL B 70 69.680 8.121 1.197 1.00 0.00 H new ATOM 0 HG23 VAL B 70 69.555 9.705 0.394 1.00 0.00 H new ATOM 2760 N ASP B 71 73.717 10.400 3.190 1.00 0.00 N ATOM 2761 CA ASP B 71 75.065 11.002 3.260 1.00 0.00 C ATOM 2762 C ASP B 71 75.973 10.069 2.470 1.00 0.00 C ATOM 2763 O ASP B 71 75.625 8.927 2.247 1.00 0.00 O ATOM 2764 CB ASP B 71 75.530 11.083 4.716 1.00 0.00 C ATOM 2765 CG ASP B 71 74.705 12.136 5.460 1.00 0.00 C ATOM 2766 OD1 ASP B 71 74.204 13.037 4.806 1.00 0.00 O ATOM 2767 OD2 ASP B 71 74.589 12.024 6.669 1.00 0.00 O ATOM 0 H ASP B 71 73.364 10.008 4.063 1.00 0.00 H new ATOM 0 HA ASP B 71 75.078 12.015 2.857 1.00 0.00 H new ATOM 0 HB2 ASP B 71 75.419 10.112 5.198 1.00 0.00 H new ATOM 0 HB3 ASP B 71 76.588 11.340 4.757 1.00 0.00 H new ATOM 2772 N PHE B 72 77.113 10.511 2.023 1.00 0.00 N ATOM 2773 CA PHE B 72 77.977 9.593 1.240 1.00 0.00 C ATOM 2774 C PHE B 72 78.121 8.278 2.004 1.00 0.00 C ATOM 2775 O PHE B 72 78.148 7.207 1.430 1.00 0.00 O ATOM 2776 CB PHE B 72 79.355 10.216 1.043 1.00 0.00 C ATOM 2777 CG PHE B 72 80.128 9.360 0.081 1.00 0.00 C ATOM 2778 CD1 PHE B 72 80.796 8.226 0.543 1.00 0.00 C ATOM 2779 CD2 PHE B 72 80.162 9.694 -1.276 1.00 0.00 C ATOM 2780 CE1 PHE B 72 81.502 7.419 -0.351 1.00 0.00 C ATOM 2781 CE2 PHE B 72 80.871 8.891 -2.171 1.00 0.00 C ATOM 2782 CZ PHE B 72 81.542 7.751 -1.711 1.00 0.00 C ATOM 0 H PHE B 72 77.478 11.453 2.163 1.00 0.00 H new ATOM 0 HA PHE B 72 77.526 9.412 0.264 1.00 0.00 H new ATOM 0 HB2 PHE B 72 79.261 11.231 0.657 1.00 0.00 H new ATOM 0 HB3 PHE B 72 79.880 10.285 1.996 1.00 0.00 H new ATOM 0 HD1 PHE B 72 80.767 7.972 1.592 1.00 0.00 H new ATOM 0 HD2 PHE B 72 79.641 10.571 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE B 72 82.017 6.539 0.006 1.00 0.00 H new ATOM 0 HE2 PHE B 72 80.902 9.149 -3.219 1.00 0.00 H new ATOM 0 HZ PHE B 72 82.089 7.129 -2.404 1.00 0.00 H new ATOM 2792 N GLN B 73 78.216 8.356 3.299 1.00 0.00 N ATOM 2793 CA GLN B 73 78.359 7.121 4.111 1.00 0.00 C ATOM 2794 C GLN B 73 77.091 6.258 4.011 1.00 0.00 C ATOM 2795 O GLN B 73 77.174 5.050 3.931 1.00 0.00 O ATOM 2796 CB GLN B 73 78.605 7.510 5.571 1.00 0.00 C ATOM 2797 CG GLN B 73 78.863 6.254 6.405 1.00 0.00 C ATOM 2798 CD GLN B 73 79.277 6.664 7.818 1.00 0.00 C ATOM 2799 OE1 GLN B 73 79.603 7.810 8.060 1.00 0.00 O ATOM 2800 NE2 GLN B 73 79.272 5.774 8.771 1.00 0.00 N ATOM 0 H GLN B 73 78.201 9.226 3.832 1.00 0.00 H new ATOM 0 HA GLN B 73 79.201 6.541 3.733 1.00 0.00 H new ATOM 0 HB2 GLN B 73 79.459 8.184 5.638 1.00 0.00 H new ATOM 0 HB3 GLN B 73 77.742 8.048 5.964 1.00 0.00 H new ATOM 0 HG2 GLN B 73 77.966 5.636 6.441 1.00 0.00 H new ATOM 0 HG3 GLN B 73 79.646 5.652 5.944 1.00 0.00 H new ATOM 0 HE21 GLN B 73 78.999 4.812 8.569 1.00 0.00 H new ATOM 0 HE22 GLN B 73 79.541 6.040 9.718 1.00 0.00 H new ATOM 2809 N GLU B 74 75.916 6.846 4.019 1.00 0.00 N ATOM 2810 CA GLU B 74 74.686 6.016 3.932 1.00 0.00 C ATOM 2811 C GLU B 74 74.569 5.410 2.539 1.00 0.00 C ATOM 2812 O GLU B 74 74.155 4.280 2.377 1.00 0.00 O ATOM 2813 CB GLU B 74 73.466 6.879 4.233 1.00 0.00 C ATOM 2814 CG GLU B 74 73.467 7.254 5.715 1.00 0.00 C ATOM 2815 CD GLU B 74 72.254 8.131 6.025 1.00 0.00 C ATOM 2816 OE1 GLU B 74 71.497 8.404 5.109 1.00 0.00 O ATOM 2817 OE2 GLU B 74 72.101 8.509 7.174 1.00 0.00 O ATOM 0 H GLU B 74 75.763 7.853 4.081 1.00 0.00 H new ATOM 0 HA GLU B 74 74.741 5.209 4.663 1.00 0.00 H new ATOM 0 HB2 GLU B 74 73.482 7.779 3.618 1.00 0.00 H new ATOM 0 HB3 GLU B 74 72.553 6.338 3.983 1.00 0.00 H new ATOM 0 HG2 GLU B 74 73.443 6.353 6.328 1.00 0.00 H new ATOM 0 HG3 GLU B 74 74.385 7.785 5.965 1.00 0.00 H new ATOM 2824 N TYR B 75 74.931 6.145 1.527 1.00 0.00 N ATOM 2825 CA TYR B 75 74.836 5.586 0.158 1.00 0.00 C ATOM 2826 C TYR B 75 75.721 4.347 0.093 1.00 0.00 C ATOM 2827 O TYR B 75 75.368 3.343 -0.494 1.00 0.00 O ATOM 2828 CB TYR B 75 75.325 6.615 -0.865 1.00 0.00 C ATOM 2829 CG TYR B 75 75.259 6.011 -2.247 1.00 0.00 C ATOM 2830 CD1 TYR B 75 74.021 5.834 -2.878 1.00 0.00 C ATOM 2831 CD2 TYR B 75 76.438 5.626 -2.901 1.00 0.00 C ATOM 2832 CE1 TYR B 75 73.961 5.272 -4.158 1.00 0.00 C ATOM 2833 CE2 TYR B 75 76.377 5.064 -4.181 1.00 0.00 C ATOM 2834 CZ TYR B 75 75.140 4.887 -4.810 1.00 0.00 C ATOM 2835 OH TYR B 75 75.082 4.332 -6.073 1.00 0.00 O ATOM 0 H TYR B 75 75.285 7.100 1.590 1.00 0.00 H new ATOM 0 HA TYR B 75 73.801 5.332 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR B 75 74.709 7.513 -0.818 1.00 0.00 H new ATOM 0 HB3 TYR B 75 76.347 6.917 -0.635 1.00 0.00 H new ATOM 0 HD1 TYR B 75 73.112 6.132 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR B 75 77.393 5.763 -2.417 1.00 0.00 H new ATOM 0 HE1 TYR B 75 73.006 5.135 -4.643 1.00 0.00 H new ATOM 0 HE2 TYR B 75 77.285 4.767 -4.684 1.00 0.00 H new ATOM 0 HH TYR B 75 75.975 4.343 -6.476 1.00 0.00 H new ATOM 2845 N CYS B 76 76.867 4.411 0.710 1.00 0.00 N ATOM 2846 CA CYS B 76 77.783 3.246 0.708 1.00 0.00 C ATOM 2847 C CYS B 76 77.179 2.142 1.570 1.00 0.00 C ATOM 2848 O CYS B 76 77.230 0.979 1.220 1.00 0.00 O ATOM 2849 CB CYS B 76 79.141 3.670 1.283 1.00 0.00 C ATOM 2850 SG CYS B 76 80.420 2.511 0.735 1.00 0.00 S ATOM 0 H CYS B 76 77.207 5.227 1.218 1.00 0.00 H new ATOM 0 HA CYS B 76 77.922 2.880 -0.309 1.00 0.00 H new ATOM 0 HB2 CYS B 76 79.387 4.680 0.956 1.00 0.00 H new ATOM 0 HB3 CYS B 76 79.096 3.690 2.372 1.00 0.00 H new ATOM 0 HG CYS B 76 80.098 1.305 1.099 1.00 0.00 H new ATOM 2856 N VAL B 77 76.585 2.484 2.686 1.00 0.00 N ATOM 2857 CA VAL B 77 75.976 1.422 3.520 1.00 0.00 C ATOM 2858 C VAL B 77 74.915 0.735 2.672 1.00 0.00 C ATOM 2859 O VAL B 77 74.778 -0.471 2.679 1.00 0.00 O ATOM 2860 CB VAL B 77 75.339 2.033 4.771 1.00 0.00 C ATOM 2861 CG1 VAL B 77 74.521 0.963 5.504 1.00 0.00 C ATOM 2862 CG2 VAL B 77 76.442 2.568 5.698 1.00 0.00 C ATOM 0 H VAL B 77 76.500 3.435 3.045 1.00 0.00 H new ATOM 0 HA VAL B 77 76.731 0.707 3.846 1.00 0.00 H new ATOM 0 HB VAL B 77 74.682 2.853 4.482 1.00 0.00 H new ATOM 0 HG11 VAL B 77 74.068 1.398 6.395 1.00 0.00 H new ATOM 0 HG12 VAL B 77 73.738 0.588 4.845 1.00 0.00 H new ATOM 0 HG13 VAL B 77 75.175 0.141 5.795 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.989 3.003 6.589 1.00 0.00 H new ATOM 0 HG22 VAL B 77 77.101 1.750 5.989 1.00 0.00 H new ATOM 0 HG23 VAL B 77 77.019 3.331 5.175 1.00 0.00 H new ATOM 2872 N PHE B 78 74.173 1.501 1.918 1.00 0.00 N ATOM 2873 CA PHE B 78 73.144 0.887 1.049 1.00 0.00 C ATOM 2874 C PHE B 78 73.849 0.129 -0.077 1.00 0.00 C ATOM 2875 O PHE B 78 73.450 -0.955 -0.442 1.00 0.00 O ATOM 2876 CB PHE B 78 72.217 1.963 0.466 1.00 0.00 C ATOM 2877 CG PHE B 78 71.338 2.544 1.563 1.00 0.00 C ATOM 2878 CD1 PHE B 78 70.475 1.713 2.301 1.00 0.00 C ATOM 2879 CD2 PHE B 78 71.387 3.917 1.846 1.00 0.00 C ATOM 2880 CE1 PHE B 78 69.673 2.258 3.310 1.00 0.00 C ATOM 2881 CE2 PHE B 78 70.580 4.456 2.855 1.00 0.00 C ATOM 2882 CZ PHE B 78 69.724 3.628 3.587 1.00 0.00 C ATOM 0 H PHE B 78 74.238 2.518 1.870 1.00 0.00 H new ATOM 0 HA PHE B 78 72.533 0.200 1.635 1.00 0.00 H new ATOM 0 HB2 PHE B 78 72.809 2.754 0.006 1.00 0.00 H new ATOM 0 HB3 PHE B 78 71.596 1.532 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE B 78 70.432 0.655 2.089 1.00 0.00 H new ATOM 0 HD2 PHE B 78 72.049 4.560 1.284 1.00 0.00 H new ATOM 0 HE1 PHE B 78 69.012 1.619 3.877 1.00 0.00 H new ATOM 0 HE2 PHE B 78 70.619 5.514 3.068 1.00 0.00 H new ATOM 0 HZ PHE B 78 69.103 4.046 4.365 1.00 0.00 H new ATOM 2892 N LEU B 79 74.909 0.676 -0.623 1.00 0.00 N ATOM 2893 CA LEU B 79 75.627 -0.055 -1.710 1.00 0.00 C ATOM 2894 C LEU B 79 76.295 -1.284 -1.096 1.00 0.00 C ATOM 2895 O LEU B 79 76.370 -2.336 -1.693 1.00 0.00 O ATOM 2896 CB LEU B 79 76.680 0.854 -2.350 1.00 0.00 C ATOM 2897 CG LEU B 79 77.288 0.172 -3.588 1.00 0.00 C ATOM 2898 CD1 LEU B 79 76.225 0.022 -4.700 1.00 0.00 C ATOM 2899 CD2 LEU B 79 78.456 1.027 -4.101 1.00 0.00 C ATOM 0 H LEU B 79 75.302 1.582 -0.367 1.00 0.00 H new ATOM 0 HA LEU B 79 74.924 -0.359 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU B 79 76.227 1.804 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU B 79 77.465 1.079 -1.627 1.00 0.00 H new ATOM 0 HG LEU B 79 77.643 -0.822 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU B 79 76.672 -0.462 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU B 79 75.397 -0.585 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU B 79 75.855 1.007 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU B 79 78.895 0.553 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU B 79 78.091 2.019 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU B 79 79.212 1.116 -3.321 1.00 0.00 H new ATOM 2911 N SER B 80 76.763 -1.160 0.109 1.00 0.00 N ATOM 2912 CA SER B 80 77.402 -2.322 0.779 1.00 0.00 C ATOM 2913 C SER B 80 76.357 -3.422 0.865 1.00 0.00 C ATOM 2914 O SER B 80 76.630 -4.584 0.634 1.00 0.00 O ATOM 2915 CB SER B 80 77.855 -1.927 2.185 1.00 0.00 C ATOM 2916 OG SER B 80 78.950 -1.026 2.090 1.00 0.00 O ATOM 0 H SER B 80 76.731 -0.303 0.661 1.00 0.00 H new ATOM 0 HA SER B 80 78.275 -2.659 0.221 1.00 0.00 H new ATOM 0 HB2 SER B 80 77.032 -1.461 2.727 1.00 0.00 H new ATOM 0 HB3 SER B 80 78.147 -2.814 2.748 1.00 0.00 H new ATOM 0 HG SER B 80 79.600 -1.368 1.441 1.00 0.00 H new ATOM 2922 N CYS B 81 75.143 -3.047 1.159 1.00 0.00 N ATOM 2923 CA CYS B 81 74.053 -4.045 1.222 1.00 0.00 C ATOM 2924 C CYS B 81 73.916 -4.672 -0.160 1.00 0.00 C ATOM 2925 O CYS B 81 73.589 -5.835 -0.296 1.00 0.00 O ATOM 2926 CB CYS B 81 72.739 -3.363 1.612 1.00 0.00 C ATOM 2927 SG CYS B 81 72.942 -2.538 3.212 1.00 0.00 S ATOM 0 H CYS B 81 74.863 -2.087 1.358 1.00 0.00 H new ATOM 0 HA CYS B 81 74.280 -4.806 1.968 1.00 0.00 H new ATOM 0 HB2 CYS B 81 72.453 -2.638 0.850 1.00 0.00 H new ATOM 0 HB3 CYS B 81 71.937 -4.099 1.669 1.00 0.00 H new ATOM 0 HG CYS B 81 74.006 -1.792 3.184 1.00 0.00 H new ATOM 2933 N ILE B 82 74.180 -3.914 -1.198 1.00 0.00 N ATOM 2934 CA ILE B 82 74.072 -4.505 -2.567 1.00 0.00 C ATOM 2935 C ILE B 82 75.198 -5.510 -2.753 1.00 0.00 C ATOM 2936 O ILE B 82 75.008 -6.577 -3.300 1.00 0.00 O ATOM 2937 CB ILE B 82 74.193 -3.422 -3.643 1.00 0.00 C ATOM 2938 CG1 ILE B 82 73.059 -2.393 -3.496 1.00 0.00 C ATOM 2939 CG2 ILE B 82 74.142 -4.071 -5.027 1.00 0.00 C ATOM 2940 CD1 ILE B 82 71.688 -3.075 -3.568 1.00 0.00 C ATOM 0 H ILE B 82 74.459 -2.934 -1.159 1.00 0.00 H new ATOM 0 HA ILE B 82 73.099 -4.987 -2.666 1.00 0.00 H new ATOM 0 HB ILE B 82 75.145 -2.904 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE B 82 73.159 -1.869 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE B 82 73.138 -1.643 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE B 82 74.228 -3.301 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE B 82 74.966 -4.777 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE B 82 73.196 -4.598 -5.147 1.00 0.00 H new ATOM 0 HD11 ILE B 82 70.903 -2.326 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE B 82 71.582 -3.578 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE B 82 71.603 -3.807 -2.764 1.00 0.00 H new ATOM 2952 N ALA B 83 76.371 -5.189 -2.298 1.00 0.00 N ATOM 2953 CA ALA B 83 77.490 -6.153 -2.453 1.00 0.00 C ATOM 2954 C ALA B 83 77.126 -7.445 -1.730 1.00 0.00 C ATOM 2955 O ALA B 83 77.199 -8.518 -2.286 1.00 0.00 O ATOM 2956 CB ALA B 83 78.761 -5.581 -1.838 1.00 0.00 C ATOM 0 H ALA B 83 76.603 -4.313 -1.831 1.00 0.00 H new ATOM 0 HA ALA B 83 77.660 -6.344 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA B 83 79.576 -6.295 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA B 83 79.020 -4.648 -2.339 1.00 0.00 H new ATOM 0 HB3 ALA B 83 78.598 -5.390 -0.777 1.00 0.00 H new ATOM 2962 N MET B 84 76.714 -7.344 -0.495 1.00 0.00 N ATOM 2963 CA MET B 84 76.333 -8.566 0.266 1.00 0.00 C ATOM 2964 C MET B 84 75.122 -9.198 -0.396 1.00 0.00 C ATOM 2965 O MET B 84 74.966 -10.402 -0.403 1.00 0.00 O ATOM 2966 CB MET B 84 76.022 -8.205 1.719 1.00 0.00 C ATOM 2967 CG MET B 84 77.318 -7.813 2.430 1.00 0.00 C ATOM 2968 SD MET B 84 76.965 -7.391 4.155 1.00 0.00 S ATOM 2969 CE MET B 84 75.969 -5.913 3.838 1.00 0.00 C ATOM 0 H MET B 84 76.625 -6.467 0.019 1.00 0.00 H new ATOM 0 HA MET B 84 77.160 -9.276 0.263 1.00 0.00 H new ATOM 0 HB2 MET B 84 75.309 -7.381 1.757 1.00 0.00 H new ATOM 0 HB3 MET B 84 75.558 -9.052 2.225 1.00 0.00 H new ATOM 0 HG2 MET B 84 78.032 -8.636 2.386 1.00 0.00 H new ATOM 0 HG3 MET B 84 77.779 -6.964 1.925 1.00 0.00 H new ATOM 0 HE1 MET B 84 76.069 -5.221 4.674 1.00 0.00 H new ATOM 0 HE2 MET B 84 76.315 -5.430 2.924 1.00 0.00 H new ATOM 0 HE3 MET B 84 74.923 -6.197 3.725 1.00 0.00 H new ATOM 2979 N MET B 85 74.278 -8.402 -0.988 1.00 0.00 N ATOM 2980 CA MET B 85 73.108 -8.982 -1.685 1.00 0.00 C ATOM 2981 C MET B 85 73.674 -9.923 -2.741 1.00 0.00 C ATOM 2982 O MET B 85 73.080 -10.925 -3.090 1.00 0.00 O ATOM 2983 CB MET B 85 72.289 -7.869 -2.349 1.00 0.00 C ATOM 2984 CG MET B 85 70.975 -8.435 -2.894 1.00 0.00 C ATOM 2985 SD MET B 85 70.032 -7.098 -3.670 1.00 0.00 S ATOM 2986 CE MET B 85 68.642 -8.099 -4.252 1.00 0.00 C ATOM 0 H MET B 85 74.349 -7.385 -1.018 1.00 0.00 H new ATOM 0 HA MET B 85 72.448 -9.508 -0.996 1.00 0.00 H new ATOM 0 HB2 MET B 85 72.082 -7.079 -1.627 1.00 0.00 H new ATOM 0 HB3 MET B 85 72.863 -7.418 -3.158 1.00 0.00 H new ATOM 0 HG2 MET B 85 71.177 -9.223 -3.619 1.00 0.00 H new ATOM 0 HG3 MET B 85 70.396 -8.885 -2.088 1.00 0.00 H new ATOM 0 HE1 MET B 85 67.926 -7.461 -4.770 1.00 0.00 H new ATOM 0 HE2 MET B 85 69.007 -8.865 -4.936 1.00 0.00 H new ATOM 0 HE3 MET B 85 68.155 -8.575 -3.401 1.00 0.00 H new ATOM 2996 N CYS B 86 74.857 -9.616 -3.227 1.00 0.00 N ATOM 2997 CA CYS B 86 75.504 -10.503 -4.232 1.00 0.00 C ATOM 2998 C CYS B 86 77.026 -10.354 -4.150 1.00 0.00 C ATOM 2999 O CYS B 86 77.666 -9.889 -5.073 1.00 0.00 O ATOM 3000 CB CYS B 86 75.021 -10.136 -5.637 1.00 0.00 C ATOM 3001 SG CYS B 86 75.588 -11.391 -6.812 1.00 0.00 S ATOM 0 H CYS B 86 75.396 -8.790 -2.967 1.00 0.00 H new ATOM 0 HA CYS B 86 75.234 -11.538 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS B 86 73.933 -10.070 -5.654 1.00 0.00 H new ATOM 0 HB3 CYS B 86 75.404 -9.156 -5.921 1.00 0.00 H new ATOM 0 HG CYS B 86 75.178 -11.084 -8.007 1.00 0.00 H new ATOM 3007 N ASN B 87 77.610 -10.754 -3.048 1.00 0.00 N ATOM 3008 CA ASN B 87 79.096 -10.648 -2.893 1.00 0.00 C ATOM 3009 C ASN B 87 79.750 -11.982 -3.259 1.00 0.00 C ATOM 3010 O ASN B 87 80.639 -12.041 -4.086 1.00 0.00 O ATOM 3011 CB ASN B 87 79.444 -10.321 -1.436 1.00 0.00 C ATOM 3012 CG ASN B 87 80.964 -10.294 -1.269 1.00 0.00 C ATOM 3013 OD1 ASN B 87 81.685 -10.042 -2.214 1.00 0.00 O ATOM 3014 ND2 ASN B 87 81.484 -10.545 -0.100 1.00 0.00 N ATOM 0 H ASN B 87 77.121 -11.151 -2.246 1.00 0.00 H new ATOM 0 HA ASN B 87 79.461 -9.859 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN B 87 79.020 -9.357 -1.157 1.00 0.00 H new ATOM 0 HB3 ASN B 87 79.007 -11.066 -0.771 1.00 0.00 H new ATOM 0 HD21 ASN B 87 82.497 -10.530 0.022 1.00 0.00 H new ATOM 0 HD22 ASN B 87 80.878 -10.756 0.693 1.00 0.00 H new ATOM 3021 N GLU B 88 79.326 -13.054 -2.639 1.00 0.00 N ATOM 3022 CA GLU B 88 79.934 -14.387 -2.938 1.00 0.00 C ATOM 3023 C GLU B 88 79.125 -15.108 -4.020 1.00 0.00 C ATOM 3024 O GLU B 88 77.958 -15.404 -3.864 1.00 0.00 O ATOM 3025 CB GLU B 88 79.957 -15.238 -1.662 1.00 0.00 C ATOM 3026 CG GLU B 88 78.648 -15.048 -0.889 1.00 0.00 C ATOM 3027 CD GLU B 88 78.690 -13.746 -0.081 1.00 0.00 C ATOM 3028 OE1 GLU B 88 79.773 -13.344 0.312 1.00 0.00 O ATOM 3029 OE2 GLU B 88 77.634 -13.173 0.133 1.00 0.00 O ATOM 0 H GLU B 88 78.585 -13.064 -1.938 1.00 0.00 H new ATOM 0 HA GLU B 88 80.952 -14.239 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU B 88 80.090 -16.289 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU B 88 80.804 -14.952 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU B 88 77.808 -15.026 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU B 88 78.487 -15.894 -0.220 1.00 0.00 H new ATOM 3036 N PHE B 89 79.760 -15.402 -5.109 1.00 0.00 N ATOM 3037 CA PHE B 89 79.080 -16.123 -6.220 1.00 0.00 C ATOM 3038 C PHE B 89 78.806 -17.576 -5.815 1.00 0.00 C ATOM 3039 O PHE B 89 77.786 -18.144 -6.148 1.00 0.00 O ATOM 3040 CB PHE B 89 79.974 -16.091 -7.461 1.00 0.00 C ATOM 3041 CG PHE B 89 80.021 -14.684 -8.006 1.00 0.00 C ATOM 3042 CD1 PHE B 89 81.000 -13.788 -7.562 1.00 0.00 C ATOM 3043 CD2 PHE B 89 79.082 -14.276 -8.962 1.00 0.00 C ATOM 3044 CE1 PHE B 89 81.039 -12.484 -8.071 1.00 0.00 C ATOM 3045 CE2 PHE B 89 79.122 -12.973 -9.472 1.00 0.00 C ATOM 3046 CZ PHE B 89 80.101 -12.077 -9.026 1.00 0.00 C ATOM 0 H PHE B 89 80.738 -15.172 -5.285 1.00 0.00 H new ATOM 0 HA PHE B 89 78.130 -15.636 -6.439 1.00 0.00 H new ATOM 0 HB2 PHE B 89 80.979 -16.429 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE B 89 79.589 -16.774 -8.218 1.00 0.00 H new ATOM 0 HD1 PHE B 89 81.726 -14.102 -6.827 1.00 0.00 H new ATOM 0 HD2 PHE B 89 78.327 -14.967 -9.306 1.00 0.00 H new ATOM 0 HE1 PHE B 89 81.793 -11.792 -7.726 1.00 0.00 H new ATOM 0 HE2 PHE B 89 78.398 -12.659 -10.209 1.00 0.00 H new ATOM 0 HZ PHE B 89 80.132 -11.072 -9.419 1.00 0.00 H new ATOM 3056 N PHE B 90 79.729 -18.186 -5.123 1.00 0.00 N ATOM 3057 CA PHE B 90 79.553 -19.615 -4.717 1.00 0.00 C ATOM 3058 C PHE B 90 78.747 -19.720 -3.420 1.00 0.00 C ATOM 3059 O PHE B 90 77.624 -20.182 -3.410 1.00 0.00 O ATOM 3060 CB PHE B 90 80.930 -20.237 -4.494 1.00 0.00 C ATOM 3061 CG PHE B 90 81.647 -20.353 -5.815 1.00 0.00 C ATOM 3062 CD1 PHE B 90 81.507 -21.510 -6.588 1.00 0.00 C ATOM 3063 CD2 PHE B 90 82.450 -19.301 -6.267 1.00 0.00 C ATOM 3064 CE1 PHE B 90 82.172 -21.616 -7.815 1.00 0.00 C ATOM 3065 CE2 PHE B 90 83.115 -19.405 -7.492 1.00 0.00 C ATOM 3066 CZ PHE B 90 82.976 -20.564 -8.268 1.00 0.00 C ATOM 0 H PHE B 90 80.603 -17.756 -4.819 1.00 0.00 H new ATOM 0 HA PHE B 90 79.014 -20.139 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE B 90 81.511 -19.624 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE B 90 80.827 -21.221 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE B 90 80.886 -22.321 -6.238 1.00 0.00 H new ATOM 0 HD2 PHE B 90 82.556 -18.408 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE B 90 82.065 -22.510 -8.412 1.00 0.00 H new ATOM 0 HE2 PHE B 90 83.736 -18.593 -7.840 1.00 0.00 H new ATOM 0 HZ PHE B 90 83.489 -20.645 -9.215 1.00 0.00 H new ATOM 3076 N GLU B 91 79.324 -19.318 -2.323 1.00 0.00 N ATOM 3077 CA GLU B 91 78.603 -19.416 -1.019 1.00 0.00 C ATOM 3078 C GLU B 91 77.314 -18.593 -1.075 1.00 0.00 C ATOM 3079 O GLU B 91 77.267 -17.535 -1.670 1.00 0.00 O ATOM 3080 CB GLU B 91 79.504 -18.901 0.107 1.00 0.00 C ATOM 3081 CG GLU B 91 78.773 -19.020 1.448 1.00 0.00 C ATOM 3082 CD GLU B 91 79.709 -18.597 2.580 1.00 0.00 C ATOM 3083 OE1 GLU B 91 80.885 -18.412 2.312 1.00 0.00 O ATOM 3084 OE2 GLU B 91 79.235 -18.465 3.697 1.00 0.00 O ATOM 0 H GLU B 91 80.264 -18.925 -2.270 1.00 0.00 H new ATOM 0 HA GLU B 91 78.349 -20.458 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU B 91 80.431 -19.474 0.135 1.00 0.00 H new ATOM 0 HB3 GLU B 91 79.777 -17.862 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU B 91 77.882 -18.392 1.445 1.00 0.00 H new ATOM 0 HG3 GLU B 91 78.439 -20.046 1.602 1.00 0.00 H new ATOM 3091 N GLY B 92 76.266 -19.084 -0.467 1.00 0.00 N ATOM 3092 CA GLY B 92 74.969 -18.349 -0.482 1.00 0.00 C ATOM 3093 C GLY B 92 75.145 -16.959 0.136 1.00 0.00 C ATOM 3094 O GLY B 92 76.201 -16.367 0.059 1.00 0.00 O ATOM 0 H GLY B 92 76.254 -19.968 0.042 1.00 0.00 H new ATOM 0 HA2 GLY B 92 74.606 -18.257 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY B 92 74.218 -18.910 0.074 1.00 0.00 H new ATOM 3098 N PHE B 93 74.107 -16.427 0.735 1.00 0.00 N ATOM 3099 CA PHE B 93 74.195 -15.064 1.350 1.00 0.00 C ATOM 3100 C PHE B 93 74.305 -15.179 2.890 1.00 0.00 C ATOM 3101 O PHE B 93 73.321 -15.463 3.543 1.00 0.00 O ATOM 3102 CB PHE B 93 72.910 -14.305 1.007 1.00 0.00 C ATOM 3103 CG PHE B 93 72.606 -14.483 -0.461 1.00 0.00 C ATOM 3104 CD1 PHE B 93 73.291 -13.722 -1.416 1.00 0.00 C ATOM 3105 CD2 PHE B 93 71.643 -15.415 -0.869 1.00 0.00 C ATOM 3106 CE1 PHE B 93 73.013 -13.890 -2.777 1.00 0.00 C ATOM 3107 CE2 PHE B 93 71.366 -15.585 -2.232 1.00 0.00 C ATOM 3108 CZ PHE B 93 72.050 -14.822 -3.186 1.00 0.00 C ATOM 0 H PHE B 93 73.198 -16.880 0.825 1.00 0.00 H new ATOM 0 HA PHE B 93 75.074 -14.545 0.967 1.00 0.00 H new ATOM 0 HB2 PHE B 93 72.082 -14.677 1.610 1.00 0.00 H new ATOM 0 HB3 PHE B 93 73.025 -13.247 1.241 1.00 0.00 H new ATOM 0 HD1 PHE B 93 74.035 -13.005 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE B 93 71.114 -16.002 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE B 93 73.541 -13.301 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE B 93 70.625 -16.305 -2.547 1.00 0.00 H new ATOM 0 HZ PHE B 93 71.836 -14.952 -4.237 1.00 0.00 H new ATOM 3118 N PRO B 94 75.465 -14.948 3.489 1.00 0.00 N ATOM 3119 CA PRO B 94 75.578 -15.036 4.977 1.00 0.00 C ATOM 3120 C PRO B 94 74.628 -14.046 5.678 1.00 0.00 C ATOM 3121 O PRO B 94 73.524 -13.813 5.228 1.00 0.00 O ATOM 3122 CB PRO B 94 77.063 -14.687 5.225 1.00 0.00 C ATOM 3123 CG PRO B 94 77.784 -14.654 3.865 1.00 0.00 C ATOM 3124 CD PRO B 94 76.720 -14.603 2.759 1.00 0.00 C ATOM 0 HA PRO B 94 75.296 -16.010 5.376 1.00 0.00 H new ATOM 0 HB2 PRO B 94 77.148 -13.722 5.724 1.00 0.00 H new ATOM 0 HB3 PRO B 94 77.523 -15.426 5.881 1.00 0.00 H new ATOM 0 HG2 PRO B 94 78.439 -13.785 3.803 1.00 0.00 H new ATOM 0 HG3 PRO B 94 78.413 -15.536 3.747 1.00 0.00 H new ATOM 0 HD2 PRO B 94 76.662 -13.616 2.299 1.00 0.00 H new ATOM 0 HD3 PRO B 94 76.932 -15.315 1.961 1.00 0.00 H new ATOM 3132 N ASP B 95 75.047 -13.457 6.768 1.00 0.00 N ATOM 3133 CA ASP B 95 74.161 -12.487 7.472 1.00 0.00 C ATOM 3134 C ASP B 95 74.175 -11.154 6.720 1.00 0.00 C ATOM 3135 O ASP B 95 75.201 -10.522 6.574 1.00 0.00 O ATOM 3136 CB ASP B 95 74.671 -12.268 8.899 1.00 0.00 C ATOM 3137 CG ASP B 95 74.422 -13.527 9.734 1.00 0.00 C ATOM 3138 OD1 ASP B 95 73.580 -14.316 9.341 1.00 0.00 O ATOM 3139 OD2 ASP B 95 75.077 -13.676 10.752 1.00 0.00 O ATOM 0 H ASP B 95 75.960 -13.606 7.198 1.00 0.00 H new ATOM 0 HA ASP B 95 73.145 -12.881 7.506 1.00 0.00 H new ATOM 0 HB2 ASP B 95 75.736 -12.035 8.883 1.00 0.00 H new ATOM 0 HB3 ASP B 95 74.164 -11.415 9.350 1.00 0.00 H new ATOM 3144 N LYS B 96 73.037 -10.722 6.241 1.00 0.00 N ATOM 3145 CA LYS B 96 72.977 -9.428 5.498 1.00 0.00 C ATOM 3146 C LYS B 96 72.646 -8.300 6.478 1.00 0.00 C ATOM 3147 O LYS B 96 72.865 -7.138 6.201 1.00 0.00 O ATOM 3148 CB LYS B 96 71.889 -9.519 4.423 1.00 0.00 C ATOM 3149 CG LYS B 96 71.914 -8.264 3.546 1.00 0.00 C ATOM 3150 CD LYS B 96 70.828 -8.372 2.470 1.00 0.00 C ATOM 3151 CE LYS B 96 70.934 -7.187 1.505 1.00 0.00 C ATOM 3152 NZ LYS B 96 69.661 -7.050 0.741 1.00 0.00 N ATOM 0 H LYS B 96 72.146 -11.210 6.332 1.00 0.00 H new ATOM 0 HA LYS B 96 73.938 -9.223 5.025 1.00 0.00 H new ATOM 0 HB2 LYS B 96 72.046 -10.405 3.809 1.00 0.00 H new ATOM 0 HB3 LYS B 96 70.911 -9.626 4.892 1.00 0.00 H new ATOM 0 HG2 LYS B 96 71.749 -7.377 4.157 1.00 0.00 H new ATOM 0 HG3 LYS B 96 72.893 -8.152 3.080 1.00 0.00 H new ATOM 0 HD2 LYS B 96 70.937 -9.309 1.923 1.00 0.00 H new ATOM 0 HD3 LYS B 96 69.842 -8.387 2.935 1.00 0.00 H new ATOM 0 HE2 LYS B 96 71.138 -6.271 2.059 1.00 0.00 H new ATOM 0 HE3 LYS B 96 71.768 -7.337 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 69.734 -6.245 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 69.485 -7.921 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 68.875 -6.888 1.402 1.00 0.00 H new ATOM 3166 N GLN B 97 72.123 -8.636 7.629 1.00 0.00 N ATOM 3167 CA GLN B 97 71.778 -7.589 8.636 1.00 0.00 C ATOM 3168 C GLN B 97 73.017 -7.292 9.503 1.00 0.00 C ATOM 3169 O GLN B 97 73.820 -8.173 9.737 1.00 0.00 O ATOM 3170 CB GLN B 97 70.654 -8.110 9.534 1.00 0.00 C ATOM 3171 CG GLN B 97 69.348 -8.172 8.739 1.00 0.00 C ATOM 3172 CD GLN B 97 68.256 -8.819 9.593 1.00 0.00 C ATOM 3173 OE1 GLN B 97 68.582 -9.416 10.708 1.00 0.00 O flip ATOM 3174 NE2 GLN B 97 67.093 -8.784 9.243 1.00 0.00 N flip ATOM 0 H GLN B 97 71.920 -9.594 7.915 1.00 0.00 H new ATOM 0 HA GLN B 97 71.456 -6.680 8.127 1.00 0.00 H new ATOM 0 HB2 GLN B 97 70.908 -9.100 9.914 1.00 0.00 H new ATOM 0 HB3 GLN B 97 70.534 -7.458 10.399 1.00 0.00 H new ATOM 0 HG2 GLN B 97 69.044 -7.168 8.441 1.00 0.00 H new ATOM 0 HG3 GLN B 97 69.495 -8.745 7.824 1.00 0.00 H new ATOM 0 HE21 GLN B 97 66.836 -8.318 8.373 1.00 0.00 H new ATOM 0 HE22 GLN B 97 66.374 -9.220 9.820 1.00 0.00 H new ATOM 3183 N PRO B 98 73.181 -6.077 9.999 1.00 0.00 N ATOM 3184 CA PRO B 98 74.360 -5.764 10.857 1.00 0.00 C ATOM 3185 C PRO B 98 74.349 -6.597 12.150 1.00 0.00 C ATOM 3186 O PRO B 98 74.953 -7.648 12.223 1.00 0.00 O ATOM 3187 CB PRO B 98 74.180 -4.255 11.138 1.00 0.00 C ATOM 3188 CG PRO B 98 72.773 -3.844 10.668 1.00 0.00 C ATOM 3189 CD PRO B 98 72.232 -4.953 9.749 1.00 0.00 C ATOM 0 HA PRO B 98 75.316 -5.999 10.389 1.00 0.00 H new ATOM 0 HB2 PRO B 98 74.301 -4.049 12.202 1.00 0.00 H new ATOM 0 HB3 PRO B 98 74.940 -3.677 10.613 1.00 0.00 H new ATOM 0 HG2 PRO B 98 72.112 -3.703 11.523 1.00 0.00 H new ATOM 0 HG3 PRO B 98 72.812 -2.894 10.135 1.00 0.00 H new ATOM 0 HD2 PRO B 98 71.207 -5.224 10.002 1.00 0.00 H new ATOM 0 HD3 PRO B 98 72.232 -4.648 8.703 1.00 0.00 H new ATOM 3197 N ARG B 99 73.663 -6.140 13.161 1.00 0.00 N ATOM 3198 CA ARG B 99 73.611 -6.911 14.438 1.00 0.00 C ATOM 3199 C ARG B 99 72.735 -8.150 14.240 1.00 0.00 C ATOM 3200 O ARG B 99 71.712 -8.096 13.585 1.00 0.00 O ATOM 3201 CB ARG B 99 73.011 -6.033 15.539 1.00 0.00 C ATOM 3202 CG ARG B 99 74.000 -4.923 15.904 1.00 0.00 C ATOM 3203 CD ARG B 99 73.397 -4.042 17.001 1.00 0.00 C ATOM 3204 NE ARG B 99 73.170 -4.862 18.225 1.00 0.00 N ATOM 3205 CZ ARG B 99 72.897 -4.281 19.362 1.00 0.00 C ATOM 3206 NH1 ARG B 99 72.775 -2.982 19.422 1.00 0.00 N ATOM 3207 NH2 ARG B 99 72.735 -5.001 20.439 1.00 0.00 N ATOM 0 H ARG B 99 73.136 -5.267 13.159 1.00 0.00 H new ATOM 0 HA ARG B 99 74.618 -7.215 14.726 1.00 0.00 H new ATOM 0 HB2 ARG B 99 72.070 -5.599 15.200 1.00 0.00 H new ATOM 0 HB3 ARG B 99 72.786 -6.637 16.418 1.00 0.00 H new ATOM 0 HG2 ARG B 99 74.940 -5.357 16.247 1.00 0.00 H new ATOM 0 HG3 ARG B 99 74.229 -4.321 15.024 1.00 0.00 H new ATOM 0 HD2 ARG B 99 74.067 -3.212 17.225 1.00 0.00 H new ATOM 0 HD3 ARG B 99 72.456 -3.610 16.660 1.00 0.00 H new ATOM 0 HE ARG B 99 73.228 -5.879 18.174 1.00 0.00 H new ATOM 0 HH11 ARG B 99 72.893 -2.419 18.580 1.00 0.00 H new ATOM 0 HH12 ARG B 99 72.562 -2.530 20.311 1.00 0.00 H new ATOM 0 HH21 ARG B 99 72.822 -6.016 20.392 1.00 0.00 H new ATOM 0 HH22 ARG B 99 72.522 -4.548 21.328 1.00 0.00 H new ATOM 3221 N LYS B 100 73.119 -9.270 14.793 1.00 0.00 N ATOM 3222 CA LYS B 100 72.289 -10.494 14.621 1.00 0.00 C ATOM 3223 C LYS B 100 70.892 -10.251 15.196 1.00 0.00 C ATOM 3224 O LYS B 100 69.901 -10.668 14.632 1.00 0.00 O ATOM 3225 CB LYS B 100 72.942 -11.681 15.336 1.00 0.00 C ATOM 3226 CG LYS B 100 74.230 -12.074 14.604 1.00 0.00 C ATOM 3227 CD LYS B 100 74.886 -13.262 15.317 1.00 0.00 C ATOM 3228 CE LYS B 100 76.172 -13.653 14.585 1.00 0.00 C ATOM 3229 NZ LYS B 100 77.128 -12.511 14.616 1.00 0.00 N ATOM 0 H LYS B 100 73.964 -9.388 15.351 1.00 0.00 H new ATOM 0 HA LYS B 100 72.210 -10.723 13.558 1.00 0.00 H new ATOM 0 HB2 LYS B 100 73.165 -11.418 16.370 1.00 0.00 H new ATOM 0 HB3 LYS B 100 72.254 -12.526 15.363 1.00 0.00 H new ATOM 0 HG2 LYS B 100 74.007 -12.336 13.570 1.00 0.00 H new ATOM 0 HG3 LYS B 100 74.917 -11.228 14.577 1.00 0.00 H new ATOM 0 HD2 LYS B 100 75.109 -13.000 16.351 1.00 0.00 H new ATOM 0 HD3 LYS B 100 74.199 -14.108 15.344 1.00 0.00 H new ATOM 0 HE2 LYS B 100 76.619 -14.528 15.056 1.00 0.00 H new ATOM 0 HE3 LYS B 100 75.948 -13.925 13.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 100 78.093 -12.862 14.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 100 76.878 -11.828 13.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 100 77.081 -12.044 15.544 1.00 0.00 H new ATOM 3243 N LYS B 101 70.808 -9.576 16.319 1.00 0.00 N ATOM 3244 CA LYS B 101 69.476 -9.297 16.946 1.00 0.00 C ATOM 3245 C LYS B 101 69.163 -7.804 16.836 1.00 0.00 C ATOM 3246 O LYS B 101 68.472 -7.298 17.705 1.00 0.00 O ATOM 3247 CB LYS B 101 69.518 -9.699 18.420 1.00 0.00 C ATOM 3248 CG LYS B 101 69.634 -11.221 18.524 1.00 0.00 C ATOM 3249 CD LYS B 101 69.676 -11.634 19.997 1.00 0.00 C ATOM 3250 CE LYS B 101 69.793 -13.158 20.104 1.00 0.00 C ATOM 3251 NZ LYS B 101 69.358 -13.597 21.460 1.00 0.00 N ATOM 3252 OXT LYS B 101 69.618 -7.193 15.884 1.00 0.00 O ATOM 0 H LYS B 101 71.609 -9.205 16.830 1.00 0.00 H new ATOM 0 HA LYS B 101 68.704 -9.869 16.432 1.00 0.00 H new ATOM 0 HB2 LYS B 101 70.365 -9.223 18.915 1.00 0.00 H new ATOM 0 HB3 LYS B 101 68.617 -9.355 18.929 1.00 0.00 H new ATOM 0 HG2 LYS B 101 68.787 -11.695 18.027 1.00 0.00 H new ATOM 0 HG3 LYS B 101 70.535 -11.563 18.014 1.00 0.00 H new ATOM 0 HD2 LYS B 101 70.522 -11.159 20.494 1.00 0.00 H new ATOM 0 HD3 LYS B 101 68.775 -11.292 20.506 1.00 0.00 H new ATOM 0 HE2 LYS B 101 69.178 -13.635 19.341 1.00 0.00 H new ATOM 0 HE3 LYS B 101 70.822 -13.468 19.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 69.438 -14.631 21.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 69.963 -13.152 22.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 68.369 -13.314 21.616 1.00 0.00 H new TER 3266 LYS B 101