USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 935 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 101 SER OG : rot -92:sc= 0.769 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 80 THR OG1 : rot -160:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot -100:sc= 1.24 USER MOD Set 3.1: A 43 THR OG1 : rot -57:sc= -1.78! USER MOD Set 3.2: A 57 ASN : amide:sc= 0 K(o=-1.8,f=-2.9) USER MOD Set 4.1: A 28 THR OG1 : rot -18:sc= 0.773 USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 17 THR OG1 : rot 37:sc= 0.467 USER MOD Set 5.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -10.6! K(o=-11!,f=-4) USER MOD Single : A 1 ASN N :NH3+ 134:sc= 0.0169 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00946 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= -0.0202 (180deg=-0.169) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 37 TYR OH : rot 150:sc= 0 USER MOD Single : A 40 SER OG : rot -32:sc= 0.819 USER MOD Single : A 41 HIS : no HE2:sc= -0.87 K(o=-0.87,f=-2) USER MOD Single : A 42 SER OG : rot 5:sc= 1.09 USER MOD Single : A 44 GLN : amide:sc= -0.493 K(o=-0.49,f=-5.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -16.3! C(o=-16!,f=-12!) USER MOD Single : A 50 SER OG : rot -61:sc= 0.204 USER MOD Single : A 56 TYR OH : rot 80:sc= -0.588 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -1.03 (180deg=-1.92!) USER MOD Single : A 67 HIS : no HD1:sc= -0.487 K(o=-0.49,f=-1.4) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 75 GLN : amide:sc= -0.755 K(o=-0.76,f=-5!) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= 0.141 (180deg=-2.71) USER MOD Single : A 83 SER OG : rot -80:sc= 0.457 USER MOD Single : A 87 GLN : amide:sc= -4.26! C(o=-4.3!,f=-7.8!) USER MOD Single : A 91 SER OG : rot -178:sc= -3.51! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -97:sc= 1.46 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.7) USER MOD Single : A 121 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.466 -0.931 -0.644 1.00 0.00 N ATOM 21 CA ASN A 1 31.395 -0.019 -1.029 1.00 0.00 C ATOM 22 C ASN A 1 30.566 -0.595 -2.168 1.00 0.00 C ATOM 23 O ASN A 1 31.095 -1.240 -3.073 1.00 0.00 O ATOM 24 CB ASN A 1 31.970 1.338 -1.438 1.00 0.00 C ATOM 25 CG ASN A 1 32.099 2.282 -0.261 1.00 0.00 C ATOM 26 OD1 ASN A 1 33.137 2.342 0.396 1.00 0.00 O ATOM 27 ND2 ASN A 1 31.033 3.026 0.008 1.00 0.00 N ATOM 0 H1 ASN A 1 33.355 -0.400 -0.543 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.228 -1.383 0.262 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.580 -1.661 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 1 30.745 0.115 -0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.949 1.193 -1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.329 1.789 -2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 1 31.053 3.683 0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 1 30.194 2.941 -0.566 1.00 0.00 H new ATOM 34 N CYS A 2 29.260 -0.356 -2.113 1.00 0.00 N ATOM 35 CA CYS A 2 28.349 -0.843 -3.136 1.00 0.00 C ATOM 36 C CYS A 2 28.102 0.236 -4.182 1.00 0.00 C ATOM 37 O CYS A 2 28.497 1.388 -3.997 1.00 0.00 O ATOM 38 CB CYS A 2 27.025 -1.282 -2.509 1.00 0.00 C ATOM 39 SG CYS A 2 27.148 -2.790 -1.493 1.00 0.00 S ATOM 0 H CYS A 2 28.810 0.174 -1.367 1.00 0.00 H new ATOM 0 HA CYS A 2 28.806 -1.705 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.641 -0.470 -1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.297 -1.450 -3.303 1.00 0.00 H new ATOM 44 N GLY A 3 27.452 -0.132 -5.277 1.00 0.00 N ATOM 45 CA GLY A 3 27.147 0.842 -6.305 1.00 0.00 C ATOM 46 C GLY A 3 26.126 1.852 -5.809 1.00 0.00 C ATOM 47 O GLY A 3 25.353 1.543 -4.905 1.00 0.00 O ATOM 0 H GLY A 3 27.132 -1.081 -5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.059 1.358 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.762 0.335 -7.190 1.00 0.00 H new ATOM 51 N PRO A 4 26.103 3.072 -6.369 1.00 0.00 N ATOM 52 CA PRO A 4 25.153 4.112 -5.951 1.00 0.00 C ATOM 53 C PRO A 4 23.725 3.581 -5.834 1.00 0.00 C ATOM 54 O PRO A 4 23.231 2.912 -6.741 1.00 0.00 O ATOM 55 CB PRO A 4 25.269 5.147 -7.068 1.00 0.00 C ATOM 56 CG PRO A 4 26.676 5.008 -7.540 1.00 0.00 C ATOM 57 CD PRO A 4 26.994 3.540 -7.446 1.00 0.00 C ATOM 0 HA PRO A 4 25.376 4.510 -4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.557 4.951 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.068 6.154 -6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.783 5.367 -8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.356 5.596 -6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.796 3.024 -8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.043 3.370 -7.204 1.00 0.00 H new ATOM 65 N PRO A 5 23.045 3.875 -4.706 1.00 0.00 N ATOM 66 CA PRO A 5 21.675 3.412 -4.463 1.00 0.00 C ATOM 67 C PRO A 5 20.753 3.620 -5.661 1.00 0.00 C ATOM 68 O PRO A 5 20.383 4.749 -5.982 1.00 0.00 O ATOM 69 CB PRO A 5 21.221 4.272 -3.285 1.00 0.00 C ATOM 70 CG PRO A 5 22.474 4.569 -2.540 1.00 0.00 C ATOM 71 CD PRO A 5 23.556 4.686 -3.581 1.00 0.00 C ATOM 0 HA PRO A 5 21.640 2.339 -4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.734 5.186 -3.625 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.503 3.742 -2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.379 5.493 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.702 3.776 -1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.719 5.723 -3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.509 4.306 -3.213 1.00 0.00 H new ATOM 79 N PRO A 6 20.375 2.522 -6.341 1.00 0.00 N ATOM 80 CA PRO A 6 19.480 2.578 -7.502 1.00 0.00 C ATOM 81 C PRO A 6 18.132 3.196 -7.148 1.00 0.00 C ATOM 82 O PRO A 6 17.895 3.660 -6.032 1.00 0.00 O ATOM 83 CB PRO A 6 19.297 1.106 -7.897 1.00 0.00 C ATOM 84 CG PRO A 6 19.745 0.316 -6.713 1.00 0.00 C ATOM 85 CD PRO A 6 20.791 1.145 -6.033 1.00 0.00 C ATOM 0 HA PRO A 6 19.890 3.195 -8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.256 0.892 -8.141 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.888 0.860 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.911 0.113 -6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.150 -0.649 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.816 0.962 -4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.788 0.930 -6.416 1.00 0.00 H new ATOM 93 N THR A 7 17.261 3.182 -8.154 1.00 0.00 N ATOM 94 CA THR A 7 15.915 3.722 -8.025 1.00 0.00 C ATOM 95 C THR A 7 14.945 2.591 -7.718 1.00 0.00 C ATOM 96 O THR A 7 14.976 1.551 -8.377 1.00 0.00 O ATOM 97 CB THR A 7 15.462 4.446 -9.307 1.00 0.00 C ATOM 98 OG1 THR A 7 16.418 5.448 -9.667 1.00 0.00 O ATOM 99 CG2 THR A 7 14.096 5.091 -9.112 1.00 0.00 C ATOM 0 H THR A 7 17.469 2.798 -9.076 1.00 0.00 H new ATOM 0 HA THR A 7 15.923 4.449 -7.213 1.00 0.00 H new ATOM 0 HB THR A 7 15.388 3.709 -10.106 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.124 5.902 -10.484 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.798 5.596 -10.031 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.363 4.323 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.149 5.816 -8.300 1.00 0.00 H new ATOM 107 N LEU A 8 14.085 2.784 -6.729 1.00 0.00 N ATOM 108 CA LEU A 8 13.131 1.752 -6.361 1.00 0.00 C ATOM 109 C LEU A 8 11.696 2.166 -6.662 1.00 0.00 C ATOM 110 O LEU A 8 11.439 3.213 -7.256 1.00 0.00 O ATOM 111 CB LEU A 8 13.262 1.425 -4.872 1.00 0.00 C ATOM 112 CG LEU A 8 14.690 1.167 -4.386 1.00 0.00 C ATOM 113 CD1 LEU A 8 14.704 0.929 -2.884 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.300 -0.016 -5.121 1.00 0.00 C ATOM 0 H LEU A 8 14.029 3.637 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 8 13.360 0.871 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.843 2.250 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.657 0.545 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 8 15.292 2.050 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.727 0.747 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.308 1.807 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.087 0.062 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.315 -0.183 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.699 -0.907 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.324 0.193 -6.190 1.00 0.00 H new ATOM 126 N SER A 9 10.774 1.314 -6.238 1.00 0.00 N ATOM 127 CA SER A 9 9.352 1.557 -6.424 1.00 0.00 C ATOM 128 C SER A 9 8.619 1.386 -5.103 1.00 0.00 C ATOM 129 O SER A 9 7.861 2.259 -4.681 1.00 0.00 O ATOM 130 CB SER A 9 8.780 0.606 -7.477 1.00 0.00 C ATOM 131 OG SER A 9 9.390 0.815 -8.739 1.00 0.00 O ATOM 0 H SER A 9 10.989 0.440 -5.758 1.00 0.00 H new ATOM 0 HA SER A 9 9.214 2.580 -6.774 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.934 -0.426 -7.162 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.704 0.756 -7.561 1.00 0.00 H new ATOM 0 HG SER A 9 9.008 0.194 -9.394 1.00 0.00 H new ATOM 137 N PHE A 10 8.861 0.253 -4.452 1.00 0.00 N ATOM 138 CA PHE A 10 8.242 -0.035 -3.166 1.00 0.00 C ATOM 139 C PHE A 10 8.660 1.002 -2.136 1.00 0.00 C ATOM 140 O PHE A 10 8.024 1.153 -1.093 1.00 0.00 O ATOM 141 CB PHE A 10 8.619 -1.441 -2.691 1.00 0.00 C ATOM 142 CG PHE A 10 10.025 -1.840 -3.037 1.00 0.00 C ATOM 143 CD1 PHE A 10 11.091 -1.435 -2.251 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.279 -2.624 -4.153 1.00 0.00 C ATOM 145 CE1 PHE A 10 12.384 -1.802 -2.570 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.570 -2.994 -4.476 1.00 0.00 C ATOM 147 CZ PHE A 10 12.625 -2.582 -3.685 1.00 0.00 C ATOM 0 H PHE A 10 9.482 -0.480 -4.795 1.00 0.00 H new ATOM 0 HA PHE A 10 7.159 0.009 -3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.491 -1.496 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.928 -2.161 -3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.909 -0.825 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.459 -2.948 -4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.206 -1.479 -1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.755 -3.605 -5.347 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.635 -2.869 -3.937 1.00 0.00 H new ATOM 157 N ALA A 11 9.735 1.718 -2.442 1.00 0.00 N ATOM 158 CA ALA A 11 10.238 2.747 -1.548 1.00 0.00 C ATOM 159 C ALA A 11 10.951 3.858 -2.312 1.00 0.00 C ATOM 160 O ALA A 11 11.451 3.659 -3.419 1.00 0.00 O ATOM 161 CB ALA A 11 11.179 2.119 -0.536 1.00 0.00 C ATOM 0 H ALA A 11 10.273 1.604 -3.301 1.00 0.00 H new ATOM 0 HA ALA A 11 9.389 3.198 -1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.558 2.889 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.643 1.366 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.014 1.650 -1.057 1.00 0.00 H new ATOM 167 N ALA A 12 10.983 5.033 -1.690 1.00 0.00 N ATOM 168 CA ALA A 12 11.670 6.176 -2.282 1.00 0.00 C ATOM 169 C ALA A 12 12.662 6.795 -1.298 1.00 0.00 C ATOM 170 O ALA A 12 12.454 6.740 -0.087 1.00 0.00 O ATOM 171 CB ALA A 12 10.660 7.218 -2.743 1.00 0.00 C ATOM 0 H ALA A 12 10.547 5.218 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 12 12.231 5.822 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.186 8.065 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.996 6.777 -3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.073 7.558 -1.890 1.00 0.00 H new ATOM 177 N PRO A 13 13.754 7.398 -1.806 1.00 0.00 N ATOM 178 CA PRO A 13 14.775 8.023 -0.958 1.00 0.00 C ATOM 179 C PRO A 13 14.161 8.963 0.074 1.00 0.00 C ATOM 180 O PRO A 13 13.238 9.717 -0.237 1.00 0.00 O ATOM 181 CB PRO A 13 15.634 8.805 -1.954 1.00 0.00 C ATOM 182 CG PRO A 13 15.472 8.078 -3.245 1.00 0.00 C ATOM 183 CD PRO A 13 14.072 7.525 -3.242 1.00 0.00 C ATOM 0 HA PRO A 13 15.337 7.289 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.301 9.840 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.678 8.830 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.624 8.748 -4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.207 7.278 -3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.376 8.193 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.020 6.563 -3.751 1.00 0.00 H new ATOM 191 N MET A 14 14.675 8.919 1.302 1.00 0.00 N ATOM 192 CA MET A 14 14.150 9.770 2.364 1.00 0.00 C ATOM 193 C MET A 14 15.213 10.098 3.410 1.00 0.00 C ATOM 194 O MET A 14 15.044 11.012 4.217 1.00 0.00 O ATOM 195 CB MET A 14 12.949 9.086 3.025 1.00 0.00 C ATOM 196 CG MET A 14 12.311 9.894 4.145 1.00 0.00 C ATOM 197 SD MET A 14 13.058 9.571 5.754 1.00 0.00 S ATOM 198 CE MET A 14 12.085 10.650 6.800 1.00 0.00 C ATOM 0 H MET A 14 15.444 8.311 1.582 1.00 0.00 H new ATOM 0 HA MET A 14 13.835 10.712 1.915 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.196 8.883 2.264 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.267 8.122 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.398 10.956 3.916 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.246 9.664 4.191 1.00 0.00 H new ATOM 0 HE1 MET A 14 12.428 10.563 7.831 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.199 11.681 6.465 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.035 10.364 6.741 1.00 0.00 H new ATOM 208 N ASP A 15 16.318 9.361 3.377 1.00 0.00 N ATOM 209 CA ASP A 15 17.409 9.576 4.322 1.00 0.00 C ATOM 210 C ASP A 15 18.741 9.192 3.693 1.00 0.00 C ATOM 211 O ASP A 15 19.293 8.128 3.977 1.00 0.00 O ATOM 212 CB ASP A 15 17.179 8.770 5.599 1.00 0.00 C ATOM 213 CG ASP A 15 18.196 9.089 6.676 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.009 10.096 7.391 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.183 8.333 6.805 1.00 0.00 O ATOM 0 H ASP A 15 16.482 8.610 2.707 1.00 0.00 H new ATOM 0 HA ASP A 15 17.435 10.635 4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.177 8.973 5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.222 7.706 5.366 1.00 0.00 H new ATOM 220 N ILE A 16 19.243 10.065 2.830 1.00 0.00 N ATOM 221 CA ILE A 16 20.498 9.832 2.145 1.00 0.00 C ATOM 222 C ILE A 16 20.953 11.073 1.398 1.00 0.00 C ATOM 223 O ILE A 16 20.518 11.324 0.276 1.00 0.00 O ATOM 224 CB ILE A 16 20.368 8.669 1.146 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.575 8.616 0.204 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.073 8.788 0.357 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.521 7.476 -0.791 1.00 0.00 C ATOM 0 H ILE A 16 18.792 10.948 2.589 1.00 0.00 H new ATOM 0 HA ILE A 16 21.238 9.579 2.905 1.00 0.00 H new ATOM 0 HB ILE A 16 20.344 7.737 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.642 9.558 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.484 8.525 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.997 7.958 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.226 8.763 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.067 9.729 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.408 7.503 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.486 6.527 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.630 7.576 -1.411 1.00 0.00 H new ATOM 239 N THR A 17 21.802 11.869 2.029 1.00 0.00 N ATOM 240 CA THR A 17 22.321 13.053 1.374 1.00 0.00 C ATOM 241 C THR A 17 22.972 12.646 0.064 1.00 0.00 C ATOM 242 O THR A 17 23.950 11.898 0.056 1.00 0.00 O ATOM 243 CB THR A 17 23.354 13.791 2.238 1.00 0.00 C ATOM 244 OG1 THR A 17 24.377 12.882 2.665 1.00 0.00 O ATOM 245 CG2 THR A 17 22.693 14.428 3.451 1.00 0.00 C ATOM 0 H THR A 17 22.141 11.718 2.979 1.00 0.00 H new ATOM 0 HA THR A 17 21.486 13.732 1.203 1.00 0.00 H new ATOM 0 HB THR A 17 23.801 14.581 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.565 12.241 1.948 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.446 14.944 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.939 15.142 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.220 13.654 4.056 1.00 0.00 H new ATOM 253 N LEU A 18 22.425 13.125 -1.041 1.00 0.00 N ATOM 254 CA LEU A 18 22.946 12.779 -2.346 1.00 0.00 C ATOM 255 C LEU A 18 24.228 13.543 -2.655 1.00 0.00 C ATOM 256 O LEU A 18 24.506 13.877 -3.807 1.00 0.00 O ATOM 257 CB LEU A 18 21.894 13.051 -3.417 1.00 0.00 C ATOM 258 CG LEU A 18 20.978 11.868 -3.743 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.798 10.663 -4.177 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.112 11.514 -2.546 1.00 0.00 C ATOM 0 H LEU A 18 21.622 13.753 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 18 23.187 11.716 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.277 13.890 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.400 13.361 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 18 20.325 12.159 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.131 9.832 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.377 10.917 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.475 10.375 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.469 10.671 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.749 11.245 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.496 12.372 -2.276 1.00 0.00 H new ATOM 272 N THR A 19 25.007 13.807 -1.616 1.00 0.00 N ATOM 273 CA THR A 19 26.264 14.525 -1.760 1.00 0.00 C ATOM 274 C THR A 19 27.396 13.549 -2.054 1.00 0.00 C ATOM 275 O THR A 19 28.430 13.922 -2.610 1.00 0.00 O ATOM 276 CB THR A 19 26.591 15.331 -0.492 1.00 0.00 C ATOM 277 OG1 THR A 19 26.930 14.443 0.582 1.00 0.00 O ATOM 278 CG2 THR A 19 25.401 16.190 -0.086 1.00 0.00 C ATOM 0 H THR A 19 24.788 13.532 -0.658 1.00 0.00 H new ATOM 0 HA THR A 19 26.159 15.220 -2.593 1.00 0.00 H new ATOM 0 HB THR A 19 27.440 15.980 -0.706 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.138 14.965 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.649 16.754 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.159 16.882 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.541 15.550 0.113 1.00 0.00 H new ATOM 286 N GLU A 20 27.184 12.293 -1.674 1.00 0.00 N ATOM 287 CA GLU A 20 28.164 11.239 -1.902 1.00 0.00 C ATOM 288 C GLU A 20 27.644 10.264 -2.953 1.00 0.00 C ATOM 289 O GLU A 20 26.503 10.378 -3.401 1.00 0.00 O ATOM 290 CB GLU A 20 28.469 10.502 -0.597 1.00 0.00 C ATOM 291 CG GLU A 20 29.039 11.400 0.489 1.00 0.00 C ATOM 292 CD GLU A 20 30.277 12.150 0.037 1.00 0.00 C ATOM 293 OE1 GLU A 20 31.388 11.595 0.168 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.135 13.291 -0.451 1.00 0.00 O ATOM 0 H GLU A 20 26.335 11.980 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 20 29.087 11.690 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.554 10.037 -0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 20 29.176 9.698 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.278 12.116 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 20 29.284 10.796 1.363 1.00 0.00 H new ATOM 301 N THR A 21 28.476 9.304 -3.343 1.00 0.00 N ATOM 302 CA THR A 21 28.080 8.327 -4.352 1.00 0.00 C ATOM 303 C THR A 21 28.372 6.901 -3.897 1.00 0.00 C ATOM 304 O THR A 21 27.995 5.937 -4.563 1.00 0.00 O ATOM 305 CB THR A 21 28.809 8.578 -5.683 1.00 0.00 C ATOM 306 OG1 THR A 21 28.891 9.984 -5.944 1.00 0.00 O ATOM 307 CG2 THR A 21 28.091 7.891 -6.834 1.00 0.00 C ATOM 0 H THR A 21 29.421 9.181 -2.980 1.00 0.00 H new ATOM 0 HA THR A 21 27.006 8.444 -4.495 1.00 0.00 H new ATOM 0 HB THR A 21 29.814 8.164 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 21 29.358 10.132 -6.793 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.626 8.084 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.056 6.817 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.075 8.279 -6.913 1.00 0.00 H new ATOM 315 N ARG A 22 29.049 6.771 -2.762 1.00 0.00 N ATOM 316 CA ARG A 22 29.398 5.458 -2.229 1.00 0.00 C ATOM 317 C ARG A 22 28.879 5.291 -0.804 1.00 0.00 C ATOM 318 O ARG A 22 28.729 6.268 -0.071 1.00 0.00 O ATOM 319 CB ARG A 22 30.906 5.268 -2.240 1.00 0.00 C ATOM 320 CG ARG A 22 31.524 5.368 -3.624 1.00 0.00 C ATOM 321 CD ARG A 22 33.041 5.300 -3.565 1.00 0.00 C ATOM 322 NE ARG A 22 33.511 4.100 -2.877 1.00 0.00 N ATOM 323 CZ ARG A 22 34.792 3.852 -2.622 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.725 4.712 -3.005 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.141 2.743 -1.984 1.00 0.00 N ATOM 0 H ARG A 22 29.367 7.556 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 22 28.931 4.705 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.362 6.017 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.144 4.293 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.147 4.560 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.219 6.304 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.444 5.318 -4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.423 6.184 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 22 32.818 3.415 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.461 5.566 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.707 4.520 -2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.426 2.078 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.124 2.555 -1.789 1.00 0.00 H new ATOM 339 N PHE A 23 28.608 4.047 -0.417 1.00 0.00 N ATOM 340 CA PHE A 23 28.102 3.730 0.917 1.00 0.00 C ATOM 341 C PHE A 23 28.647 2.380 1.372 1.00 0.00 C ATOM 342 O PHE A 23 28.118 1.332 1.000 1.00 0.00 O ATOM 343 CB PHE A 23 26.569 3.717 0.907 1.00 0.00 C ATOM 344 CG PHE A 23 25.967 5.010 0.429 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.928 5.307 -0.924 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.456 5.933 1.327 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.395 6.496 -1.373 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.920 7.129 0.882 1.00 0.00 C ATOM 349 CZ PHE A 23 24.891 7.410 -0.469 1.00 0.00 C ATOM 0 H PHE A 23 28.732 3.232 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 23 28.437 4.494 1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.223 2.905 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.208 3.506 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.321 4.597 -1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.476 5.717 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.372 6.713 -2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.525 7.841 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.475 8.343 -0.819 1.00 0.00 H new ATOM 359 N LYS A 24 29.729 2.421 2.156 1.00 0.00 N ATOM 360 CA LYS A 24 30.371 1.212 2.677 1.00 0.00 C ATOM 361 C LYS A 24 29.351 0.191 3.134 1.00 0.00 C ATOM 362 O LYS A 24 28.177 0.502 3.320 1.00 0.00 O ATOM 363 CB LYS A 24 31.279 1.551 3.856 1.00 0.00 C ATOM 364 CG LYS A 24 30.699 2.595 4.797 1.00 0.00 C ATOM 365 CD LYS A 24 31.630 2.873 5.966 1.00 0.00 C ATOM 366 CE LYS A 24 31.073 3.953 6.879 1.00 0.00 C ATOM 367 NZ LYS A 24 32.010 4.277 7.990 1.00 0.00 N ATOM 0 H LYS A 24 30.182 3.288 2.445 1.00 0.00 H new ATOM 0 HA LYS A 24 30.958 0.789 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.482 0.640 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.235 1.910 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.517 3.519 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.735 2.252 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.783 1.957 6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.606 3.181 5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.874 4.853 6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.120 3.623 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.594 5.018 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.180 3.424 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.911 4.616 7.597 1.00 0.00 H new ATOM 381 N THR A 25 29.815 -1.032 3.341 1.00 0.00 N ATOM 382 CA THR A 25 28.948 -2.078 3.819 1.00 0.00 C ATOM 383 C THR A 25 28.443 -1.696 5.199 1.00 0.00 C ATOM 384 O THR A 25 28.969 -0.771 5.820 1.00 0.00 O ATOM 385 CB THR A 25 29.664 -3.436 3.888 1.00 0.00 C ATOM 386 OG1 THR A 25 30.973 -3.275 4.448 1.00 0.00 O ATOM 387 CG2 THR A 25 29.767 -4.083 2.509 1.00 0.00 C ATOM 0 H THR A 25 30.782 -1.316 3.184 1.00 0.00 H new ATOM 0 HA THR A 25 28.120 -2.184 3.118 1.00 0.00 H new ATOM 0 HB THR A 25 29.073 -4.092 4.527 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.420 -4.146 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.279 -5.042 2.594 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.767 -4.240 2.105 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.329 -3.430 1.842 1.00 0.00 H new ATOM 395 N GLY A 26 27.439 -2.398 5.689 1.00 0.00 N ATOM 396 CA GLY A 26 26.896 -2.083 6.991 1.00 0.00 C ATOM 397 C GLY A 26 26.075 -0.805 6.973 1.00 0.00 C ATOM 398 O GLY A 26 25.214 -0.609 7.830 1.00 0.00 O ATOM 0 H GLY A 26 26.990 -3.179 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.273 -2.909 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 26 27.711 -1.980 7.708 1.00 0.00 H new ATOM 402 N THR A 27 26.340 0.073 5.998 1.00 0.00 N ATOM 403 CA THR A 27 25.609 1.330 5.871 1.00 0.00 C ATOM 404 C THR A 27 24.126 1.032 5.690 1.00 0.00 C ATOM 405 O THR A 27 23.765 -0.083 5.318 1.00 0.00 O ATOM 406 CB THR A 27 26.127 2.151 4.674 1.00 0.00 C ATOM 407 OG1 THR A 27 25.876 3.545 4.891 1.00 0.00 O ATOM 408 CG2 THR A 27 25.467 1.714 3.373 1.00 0.00 C ATOM 0 H THR A 27 27.057 -0.068 5.287 1.00 0.00 H new ATOM 0 HA THR A 27 25.762 1.917 6.777 1.00 0.00 H new ATOM 0 HB THR A 27 27.200 1.977 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.209 4.060 4.127 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.855 2.313 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.685 0.662 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.389 1.854 3.447 1.00 0.00 H new ATOM 416 N THR A 28 23.259 2.006 5.937 1.00 0.00 N ATOM 417 CA THR A 28 21.832 1.755 5.790 1.00 0.00 C ATOM 418 C THR A 28 21.022 3.019 5.525 1.00 0.00 C ATOM 419 O THR A 28 21.077 3.983 6.288 1.00 0.00 O ATOM 420 CB THR A 28 21.263 1.054 7.038 1.00 0.00 C ATOM 421 OG1 THR A 28 21.914 -0.206 7.236 1.00 0.00 O ATOM 422 CG2 THR A 28 19.764 0.837 6.904 1.00 0.00 C ATOM 0 H THR A 28 23.508 2.950 6.231 1.00 0.00 H new ATOM 0 HA THR A 28 21.738 1.108 4.917 1.00 0.00 H new ATOM 0 HB THR A 28 21.446 1.697 7.899 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.362 -0.476 6.408 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.387 0.340 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.266 1.799 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.563 0.215 6.032 1.00 0.00 H new ATOM 430 N LEU A 29 20.266 2.993 4.431 1.00 0.00 N ATOM 431 CA LEU A 29 19.428 4.121 4.050 1.00 0.00 C ATOM 432 C LEU A 29 18.127 4.090 4.852 1.00 0.00 C ATOM 433 O LEU A 29 18.117 3.680 6.014 1.00 0.00 O ATOM 434 CB LEU A 29 19.115 4.083 2.546 1.00 0.00 C ATOM 435 CG LEU A 29 20.321 4.197 1.603 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.218 5.360 1.999 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.107 2.896 1.574 1.00 0.00 C ATOM 0 H LEU A 29 20.218 2.199 3.792 1.00 0.00 H new ATOM 0 HA LEU A 29 19.967 5.043 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.595 3.150 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.424 4.894 2.319 1.00 0.00 H new ATOM 0 HG LEU A 29 19.944 4.391 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.064 5.417 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.650 6.289 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.583 5.208 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.957 2.999 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.466 2.665 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.463 2.089 1.225 1.00 0.00 H new ATOM 449 N LYS A 30 17.031 4.525 4.235 1.00 0.00 N ATOM 450 CA LYS A 30 15.729 4.522 4.897 1.00 0.00 C ATOM 451 C LYS A 30 14.633 4.121 3.918 1.00 0.00 C ATOM 452 O LYS A 30 14.076 3.027 4.010 1.00 0.00 O ATOM 453 CB LYS A 30 15.424 5.895 5.500 1.00 0.00 C ATOM 454 CG LYS A 30 14.094 5.958 6.240 1.00 0.00 C ATOM 455 CD LYS A 30 13.974 4.853 7.279 1.00 0.00 C ATOM 456 CE LYS A 30 12.748 5.046 8.158 1.00 0.00 C ATOM 457 NZ LYS A 30 11.503 5.191 7.354 1.00 0.00 N ATOM 0 H LYS A 30 17.018 4.883 3.280 1.00 0.00 H new ATOM 0 HA LYS A 30 15.761 3.790 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.225 6.166 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.422 6.639 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.995 6.928 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.276 5.875 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.916 3.886 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.870 4.837 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.647 4.195 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.883 5.931 8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.676 5.150 7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.515 6.104 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.447 4.419 6.659 1.00 0.00 H new ATOM 471 N TYR A 31 14.329 5.017 2.983 1.00 0.00 N ATOM 472 CA TYR A 31 13.311 4.764 1.969 1.00 0.00 C ATOM 473 C TYR A 31 11.908 4.665 2.573 1.00 0.00 C ATOM 474 O TYR A 31 11.677 3.934 3.536 1.00 0.00 O ATOM 475 CB TYR A 31 13.643 3.492 1.188 1.00 0.00 C ATOM 476 CG TYR A 31 14.794 3.657 0.221 1.00 0.00 C ATOM 477 CD1 TYR A 31 14.579 4.127 -1.068 1.00 0.00 C ATOM 478 CD2 TYR A 31 16.093 3.340 0.595 1.00 0.00 C ATOM 479 CE1 TYR A 31 15.627 4.280 -1.956 1.00 0.00 C ATOM 480 CE2 TYR A 31 17.147 3.490 -0.287 1.00 0.00 C ATOM 481 CZ TYR A 31 16.908 3.960 -1.561 1.00 0.00 C ATOM 482 OH TYR A 31 17.954 4.110 -2.443 1.00 0.00 O ATOM 0 H TYR A 31 14.777 5.930 2.907 1.00 0.00 H new ATOM 0 HA TYR A 31 13.313 5.615 1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.883 2.696 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.759 3.174 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.576 4.377 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 31 16.283 2.970 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 31 15.443 4.648 -2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 31 18.152 3.240 0.020 1.00 0.00 H new ATOM 0 HH TYR A 31 17.756 4.842 -3.064 1.00 0.00 H new ATOM 492 N THR A 32 10.982 5.416 1.985 1.00 0.00 N ATOM 493 CA THR A 32 9.594 5.430 2.444 1.00 0.00 C ATOM 494 C THR A 32 8.804 4.252 1.878 1.00 0.00 C ATOM 495 O THR A 32 9.381 3.273 1.411 1.00 0.00 O ATOM 496 CB THR A 32 8.888 6.735 2.030 1.00 0.00 C ATOM 497 OG1 THR A 32 8.419 6.632 0.680 1.00 0.00 O ATOM 498 CG2 THR A 32 9.834 7.918 2.145 1.00 0.00 C ATOM 0 H THR A 32 11.167 6.025 1.188 1.00 0.00 H new ATOM 0 HA THR A 32 9.624 5.354 3.531 1.00 0.00 H new ATOM 0 HB THR A 32 8.043 6.892 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.970 7.465 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.315 8.829 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.173 8.014 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.694 7.761 1.493 1.00 0.00 H new ATOM 506 N CYS A 33 7.479 4.356 1.937 1.00 0.00 N ATOM 507 CA CYS A 33 6.600 3.313 1.421 1.00 0.00 C ATOM 508 C CYS A 33 5.262 3.899 0.988 1.00 0.00 C ATOM 509 O CYS A 33 4.422 4.275 1.808 1.00 0.00 O ATOM 510 CB CYS A 33 6.377 2.222 2.469 1.00 0.00 C ATOM 511 SG CYS A 33 7.412 0.741 2.236 1.00 0.00 S ATOM 0 H CYS A 33 6.990 5.156 2.339 1.00 0.00 H new ATOM 0 HA CYS A 33 7.085 2.868 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.574 2.637 3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.328 1.925 2.451 1.00 0.00 H new ATOM 516 N LEU A 34 5.106 3.972 -0.332 1.00 0.00 N ATOM 517 CA LEU A 34 3.905 4.527 -0.934 1.00 0.00 C ATOM 518 C LEU A 34 2.661 3.984 -0.230 1.00 0.00 C ATOM 519 O LEU A 34 2.602 2.805 0.119 1.00 0.00 O ATOM 520 CB LEU A 34 3.870 4.228 -2.434 1.00 0.00 C ATOM 521 CG LEU A 34 5.184 4.512 -3.177 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.010 4.280 -4.670 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.666 5.932 -2.910 1.00 0.00 C ATOM 0 H LEU A 34 5.802 3.651 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 34 3.917 5.610 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.608 3.179 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.076 4.819 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 34 5.941 3.823 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.950 4.486 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.720 3.244 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.235 4.944 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.598 6.107 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.912 6.642 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.833 6.064 -1.841 1.00 0.00 H new ATOM 535 N PRO A 35 1.663 4.853 0.000 1.00 0.00 N ATOM 536 CA PRO A 35 0.420 4.507 0.689 1.00 0.00 C ATOM 537 C PRO A 35 -0.044 3.066 0.488 1.00 0.00 C ATOM 538 O PRO A 35 -0.009 2.257 1.417 1.00 0.00 O ATOM 539 CB PRO A 35 -0.570 5.482 0.063 1.00 0.00 C ATOM 540 CG PRO A 35 0.233 6.713 -0.203 1.00 0.00 C ATOM 541 CD PRO A 35 1.663 6.271 -0.411 1.00 0.00 C ATOM 0 HA PRO A 35 0.531 4.579 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.996 5.080 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.402 5.689 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.141 7.235 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.162 7.408 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.969 6.385 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.354 6.861 0.191 1.00 0.00 H new ATOM 549 N GLY A 36 -0.477 2.757 -0.721 1.00 0.00 N ATOM 550 CA GLY A 36 -0.981 1.426 -1.020 1.00 0.00 C ATOM 551 C GLY A 36 0.059 0.332 -0.872 1.00 0.00 C ATOM 552 O GLY A 36 -0.285 -0.823 -0.624 1.00 0.00 O ATOM 0 H GLY A 36 -0.491 3.405 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.821 1.208 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.366 1.414 -2.040 1.00 0.00 H new ATOM 556 N TYR A 37 1.327 0.694 -1.033 1.00 0.00 N ATOM 557 CA TYR A 37 2.399 -0.291 -0.914 1.00 0.00 C ATOM 558 C TYR A 37 2.332 -0.968 0.444 1.00 0.00 C ATOM 559 O TYR A 37 2.931 -0.491 1.409 1.00 0.00 O ATOM 560 CB TYR A 37 3.774 0.363 -1.097 1.00 0.00 C ATOM 561 CG TYR A 37 4.410 0.070 -2.435 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.706 -1.232 -2.818 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.696 1.096 -3.325 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.271 -1.504 -4.049 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.263 0.834 -4.558 1.00 0.00 C ATOM 566 CZ TYR A 37 5.548 -0.467 -4.916 1.00 0.00 C ATOM 567 OH TYR A 37 6.111 -0.731 -6.142 1.00 0.00 O ATOM 0 H TYR A 37 1.636 1.643 -1.242 1.00 0.00 H new ATOM 0 HA TYR A 37 2.265 -1.034 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.672 1.442 -0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.439 0.019 -0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.491 -2.046 -2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.472 2.116 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.495 -2.522 -4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.482 1.644 -5.238 1.00 0.00 H new ATOM 0 HH TYR A 37 5.820 -0.054 -6.788 1.00 0.00 H new ATOM 577 N VAL A 38 1.599 -2.076 0.532 1.00 0.00 N ATOM 578 CA VAL A 38 1.426 -2.845 1.752 1.00 0.00 C ATOM 579 C VAL A 38 2.607 -3.775 2.003 1.00 0.00 C ATOM 580 O VAL A 38 2.931 -4.622 1.175 1.00 0.00 O ATOM 581 CB VAL A 38 0.124 -3.672 1.641 1.00 0.00 C ATOM 582 CG1 VAL A 38 0.245 -5.022 2.322 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.058 -2.894 2.185 1.00 0.00 C ATOM 0 H VAL A 38 1.099 -2.469 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 38 1.367 -2.153 2.592 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.047 -3.862 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.693 -5.567 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.050 -5.593 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.466 -4.878 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.962 -3.496 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.884 -2.654 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.179 -1.972 1.617 1.00 0.00 H new ATOM 593 N ARG A 39 3.236 -3.613 3.160 1.00 0.00 N ATOM 594 CA ARG A 39 4.400 -4.412 3.515 1.00 0.00 C ATOM 595 C ARG A 39 4.026 -5.803 4.012 1.00 0.00 C ATOM 596 O ARG A 39 2.966 -6.009 4.603 1.00 0.00 O ATOM 597 CB ARG A 39 5.216 -3.691 4.589 1.00 0.00 C ATOM 598 CG ARG A 39 4.467 -3.520 5.900 1.00 0.00 C ATOM 599 CD ARG A 39 5.417 -3.345 7.074 1.00 0.00 C ATOM 600 NE ARG A 39 6.173 -2.099 6.994 1.00 0.00 N ATOM 601 CZ ARG A 39 7.316 -1.886 7.641 1.00 0.00 C ATOM 602 NH1 ARG A 39 7.842 -2.842 8.396 1.00 0.00 N ATOM 603 NH2 ARG A 39 7.934 -0.720 7.529 1.00 0.00 N ATOM 0 H ARG A 39 2.959 -2.934 3.869 1.00 0.00 H new ATOM 0 HA ARG A 39 4.991 -4.536 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.134 -4.249 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.509 -2.710 4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.809 -2.654 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.832 -4.389 6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.849 -3.364 8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.110 -4.186 7.107 1.00 0.00 H new ATOM 0 HE ARG A 39 5.804 -1.349 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.370 -3.742 8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.718 -2.677 8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.534 0.015 6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.810 -0.557 8.025 1.00 0.00 H new ATOM 617 N SER A 40 4.923 -6.751 3.759 1.00 0.00 N ATOM 618 CA SER A 40 4.743 -8.131 4.189 1.00 0.00 C ATOM 619 C SER A 40 5.762 -8.455 5.279 1.00 0.00 C ATOM 620 O SER A 40 5.874 -9.595 5.731 1.00 0.00 O ATOM 621 CB SER A 40 4.906 -9.085 3.002 1.00 0.00 C ATOM 622 OG SER A 40 4.821 -10.437 3.415 1.00 0.00 O ATOM 0 H SER A 40 5.792 -6.584 3.252 1.00 0.00 H new ATOM 0 HA SER A 40 3.737 -8.257 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.135 -8.880 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.868 -8.909 2.520 1.00 0.00 H new ATOM 0 HG SER A 40 5.177 -10.524 4.324 1.00 0.00 H new ATOM 628 N HIS A 41 6.490 -7.420 5.694 1.00 0.00 N ATOM 629 CA HIS A 41 7.517 -7.524 6.730 1.00 0.00 C ATOM 630 C HIS A 41 8.587 -8.546 6.372 1.00 0.00 C ATOM 631 O HIS A 41 8.334 -9.749 6.331 1.00 0.00 O ATOM 632 CB HIS A 41 6.916 -7.888 8.084 1.00 0.00 C ATOM 633 CG HIS A 41 5.474 -7.518 8.239 1.00 0.00 C ATOM 634 ND1 HIS A 41 4.440 -8.389 7.966 1.00 0.00 N ATOM 635 CD2 HIS A 41 4.894 -6.364 8.645 1.00 0.00 C ATOM 636 CE1 HIS A 41 3.286 -7.786 8.195 1.00 0.00 C ATOM 637 NE2 HIS A 41 3.535 -6.557 8.610 1.00 0.00 N ATOM 0 H HIS A 41 6.383 -6.478 5.318 1.00 0.00 H new ATOM 0 HA HIS A 41 7.979 -6.539 6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.022 -8.962 8.238 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.491 -7.395 8.868 1.00 0.00 H new ATOM 0 HD1 HIS A 41 4.549 -9.349 7.638 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.405 -5.460 8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.307 -8.223 8.065 1.00 0.00 H new ATOM 646 N SER A 42 9.787 -8.042 6.138 1.00 0.00 N ATOM 647 CA SER A 42 10.938 -8.864 5.797 1.00 0.00 C ATOM 648 C SER A 42 12.176 -7.988 5.818 1.00 0.00 C ATOM 649 O SER A 42 13.303 -8.464 5.969 1.00 0.00 O ATOM 650 CB SER A 42 10.765 -9.501 4.415 1.00 0.00 C ATOM 651 OG SER A 42 9.772 -10.511 4.435 1.00 0.00 O ATOM 0 H SER A 42 9.992 -7.044 6.179 1.00 0.00 H new ATOM 0 HA SER A 42 11.036 -9.671 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.492 -8.734 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.713 -9.927 4.087 1.00 0.00 H new ATOM 0 HG SER A 42 9.343 -10.530 5.316 1.00 0.00 H new ATOM 657 N THR A 43 11.929 -6.691 5.680 1.00 0.00 N ATOM 658 CA THR A 43 12.977 -5.677 5.672 1.00 0.00 C ATOM 659 C THR A 43 12.356 -4.286 5.598 1.00 0.00 C ATOM 660 O THR A 43 11.159 -4.121 5.833 1.00 0.00 O ATOM 661 CB THR A 43 13.933 -5.835 4.477 1.00 0.00 C ATOM 662 OG1 THR A 43 13.826 -7.145 3.909 1.00 0.00 O ATOM 663 CG2 THR A 43 15.372 -5.579 4.901 1.00 0.00 C ATOM 0 H THR A 43 10.989 -6.310 5.570 1.00 0.00 H new ATOM 0 HA THR A 43 13.544 -5.805 6.594 1.00 0.00 H new ATOM 0 HB THR A 43 13.648 -5.099 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.002 -7.817 4.601 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.031 -5.696 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.461 -4.565 5.291 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.656 -6.292 5.675 1.00 0.00 H new ATOM 671 N GLN A 44 13.178 -3.294 5.258 1.00 0.00 N ATOM 672 CA GLN A 44 12.718 -1.911 5.140 1.00 0.00 C ATOM 673 C GLN A 44 13.899 -0.978 4.894 1.00 0.00 C ATOM 674 O GLN A 44 13.777 0.242 5.011 1.00 0.00 O ATOM 675 CB GLN A 44 11.971 -1.486 6.412 1.00 0.00 C ATOM 676 CG GLN A 44 11.320 -0.114 6.322 1.00 0.00 C ATOM 677 CD GLN A 44 10.426 0.035 5.106 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.234 -0.267 5.157 1.00 0.00 O ATOM 679 NE2 GLN A 44 11.000 0.504 4.004 1.00 0.00 N ATOM 0 H GLN A 44 14.170 -3.423 5.059 1.00 0.00 H new ATOM 0 HA GLN A 44 12.036 -1.846 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.203 -2.227 6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.669 -1.491 7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.733 0.064 7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.097 0.650 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.992 0.742 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.449 0.627 3.154 1.00 0.00 H new ATOM 688 N THR A 45 15.044 -1.555 4.532 1.00 0.00 N ATOM 689 CA THR A 45 16.248 -0.770 4.297 1.00 0.00 C ATOM 690 C THR A 45 17.160 -1.428 3.271 1.00 0.00 C ATOM 691 O THR A 45 16.982 -2.593 2.913 1.00 0.00 O ATOM 692 CB THR A 45 17.052 -0.577 5.598 1.00 0.00 C ATOM 693 OG1 THR A 45 17.725 -1.795 5.940 1.00 0.00 O ATOM 694 CG2 THR A 45 16.146 -0.162 6.747 1.00 0.00 C ATOM 0 H THR A 45 15.160 -2.559 4.396 1.00 0.00 H new ATOM 0 HA THR A 45 15.912 0.196 3.919 1.00 0.00 H new ATOM 0 HB THR A 45 17.782 0.215 5.429 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.236 -1.666 6.766 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.741 -0.033 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.653 0.778 6.500 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.394 -0.933 6.914 1.00 0.00 H new ATOM 702 N LEU A 46 18.136 -0.661 2.801 1.00 0.00 N ATOM 703 CA LEU A 46 19.106 -1.141 1.824 1.00 0.00 C ATOM 704 C LEU A 46 20.507 -1.035 2.417 1.00 0.00 C ATOM 705 O LEU A 46 21.038 0.061 2.593 1.00 0.00 O ATOM 706 CB LEU A 46 19.008 -0.334 0.525 1.00 0.00 C ATOM 707 CG LEU A 46 17.960 -0.833 -0.477 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.599 -0.980 0.187 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.868 0.111 -1.665 1.00 0.00 C ATOM 0 H LEU A 46 18.277 0.308 3.085 1.00 0.00 H new ATOM 0 HA LEU A 46 18.893 -2.183 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.782 0.702 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.983 -0.339 0.039 1.00 0.00 H new ATOM 0 HG LEU A 46 18.274 -1.814 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.874 -1.335 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.669 -1.696 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.278 -0.014 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.120 -0.258 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.582 1.104 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.836 0.165 -2.163 1.00 0.00 H new ATOM 721 N THR A 47 21.100 -2.185 2.727 1.00 0.00 N ATOM 722 CA THR A 47 22.437 -2.225 3.312 1.00 0.00 C ATOM 723 C THR A 47 23.446 -2.772 2.319 1.00 0.00 C ATOM 724 O THR A 47 23.133 -3.675 1.544 1.00 0.00 O ATOM 725 CB THR A 47 22.469 -3.110 4.574 1.00 0.00 C ATOM 726 OG1 THR A 47 21.448 -2.699 5.490 1.00 0.00 O ATOM 727 CG2 THR A 47 23.827 -3.039 5.257 1.00 0.00 C ATOM 0 H THR A 47 20.676 -3.101 2.583 1.00 0.00 H new ATOM 0 HA THR A 47 22.697 -1.201 3.579 1.00 0.00 H new ATOM 0 HB THR A 47 22.289 -4.140 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.476 -3.268 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.822 -3.672 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.599 -3.384 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.035 -2.009 5.548 1.00 0.00 H new ATOM 735 N CYS A 48 24.659 -2.229 2.340 1.00 0.00 N ATOM 736 CA CYS A 48 25.693 -2.707 1.446 1.00 0.00 C ATOM 737 C CYS A 48 26.207 -4.029 1.989 1.00 0.00 C ATOM 738 O CYS A 48 26.736 -4.102 3.098 1.00 0.00 O ATOM 739 CB CYS A 48 26.821 -1.683 1.313 1.00 0.00 C ATOM 740 SG CYS A 48 28.146 -2.178 0.166 1.00 0.00 S ATOM 0 H CYS A 48 24.942 -1.469 2.959 1.00 0.00 H new ATOM 0 HA CYS A 48 25.285 -2.853 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.399 -0.736 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.255 -1.507 2.297 1.00 0.00 H new ATOM 745 N ASN A 49 26.039 -5.067 1.192 1.00 0.00 N ATOM 746 CA ASN A 49 26.510 -6.389 1.564 1.00 0.00 C ATOM 747 C ASN A 49 27.847 -6.660 0.883 1.00 0.00 C ATOM 748 O ASN A 49 28.328 -5.836 0.104 1.00 0.00 O ATOM 749 CB ASN A 49 25.483 -7.447 1.163 1.00 0.00 C ATOM 750 CG ASN A 49 24.897 -7.171 -0.202 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.342 -7.721 -1.206 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.900 -6.302 -0.246 1.00 0.00 N ATOM 0 H ASN A 49 25.580 -5.021 0.282 1.00 0.00 H new ATOM 0 HA ASN A 49 26.644 -6.434 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.954 -8.430 1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.683 -7.476 1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.469 -6.065 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.562 -5.869 0.614 1.00 0.00 H new ATOM 759 N SER A 50 28.448 -7.805 1.174 1.00 0.00 N ATOM 760 CA SER A 50 29.724 -8.159 0.562 1.00 0.00 C ATOM 761 C SER A 50 29.470 -8.795 -0.803 1.00 0.00 C ATOM 762 O SER A 50 29.808 -9.953 -1.050 1.00 0.00 O ATOM 763 CB SER A 50 30.505 -9.108 1.470 1.00 0.00 C ATOM 764 OG SER A 50 31.758 -9.446 0.900 1.00 0.00 O ATOM 0 H SER A 50 28.079 -8.500 1.823 1.00 0.00 H new ATOM 0 HA SER A 50 30.324 -7.259 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.659 -8.641 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.923 -10.014 1.640 1.00 0.00 H new ATOM 0 HG SER A 50 31.616 -9.899 0.043 1.00 0.00 H new ATOM 770 N ASP A 51 28.861 -8.001 -1.676 1.00 0.00 N ATOM 771 CA ASP A 51 28.511 -8.408 -3.034 1.00 0.00 C ATOM 772 C ASP A 51 28.531 -7.199 -3.959 1.00 0.00 C ATOM 773 O ASP A 51 28.241 -7.304 -5.150 1.00 0.00 O ATOM 774 CB ASP A 51 27.111 -9.014 -3.051 1.00 0.00 C ATOM 775 CG ASP A 51 26.962 -10.165 -2.075 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.702 -9.903 -0.881 1.00 0.00 O ATOM 777 OD2 ASP A 51 27.108 -11.329 -2.504 1.00 0.00 O ATOM 0 H ASP A 51 28.592 -7.042 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 51 29.237 -9.146 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.382 -8.241 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.883 -9.364 -4.058 1.00 0.00 H new ATOM 782 N GLY A 52 28.879 -6.051 -3.390 1.00 0.00 N ATOM 783 CA GLY A 52 28.917 -4.824 -4.160 1.00 0.00 C ATOM 784 C GLY A 52 27.549 -4.410 -4.670 1.00 0.00 C ATOM 785 O GLY A 52 27.420 -3.588 -5.577 1.00 0.00 O ATOM 0 H GLY A 52 29.136 -5.949 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.327 -4.025 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.592 -4.952 -5.006 1.00 0.00 H new ATOM 789 N GLU A 53 26.535 -5.007 -4.056 1.00 0.00 N ATOM 790 CA GLU A 53 25.148 -4.704 -4.392 1.00 0.00 C ATOM 791 C GLU A 53 24.316 -4.533 -3.129 1.00 0.00 C ATOM 792 O GLU A 53 24.781 -4.825 -2.030 1.00 0.00 O ATOM 793 CB GLU A 53 24.553 -5.813 -5.262 1.00 0.00 C ATOM 794 CG GLU A 53 24.142 -7.054 -4.484 1.00 0.00 C ATOM 795 CD GLU A 53 23.769 -8.213 -5.389 1.00 0.00 C ATOM 796 OE1 GLU A 53 24.681 -8.959 -5.805 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.567 -8.372 -5.684 1.00 0.00 O ATOM 0 H GLU A 53 26.647 -5.705 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 53 25.131 -3.769 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.682 -5.421 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.282 -6.097 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.961 -7.357 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.295 -6.812 -3.842 1.00 0.00 H new ATOM 804 N TRP A 54 23.095 -4.040 -3.292 1.00 0.00 N ATOM 805 CA TRP A 54 22.192 -3.849 -2.175 1.00 0.00 C ATOM 806 C TRP A 54 21.277 -5.056 -2.035 1.00 0.00 C ATOM 807 O TRP A 54 20.441 -5.339 -2.894 1.00 0.00 O ATOM 808 CB TRP A 54 21.384 -2.573 -2.382 1.00 0.00 C ATOM 809 CG TRP A 54 22.249 -1.373 -2.619 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.521 -0.783 -3.819 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.969 -0.627 -1.632 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.366 0.285 -3.638 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.656 0.402 -2.304 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.097 -0.729 -0.247 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.462 1.322 -1.634 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.895 0.183 0.418 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.567 1.196 -0.276 1.00 0.00 C ATOM 0 H TRP A 54 22.709 -3.765 -4.195 1.00 0.00 H new ATOM 0 HA TRP A 54 22.767 -3.749 -1.254 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.714 -2.706 -3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.759 -2.398 -1.507 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.129 -1.108 -4.772 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.720 0.892 -4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.582 -1.507 0.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.983 2.104 -2.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 24.002 0.113 1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.182 1.894 0.273 1.00 0.00 H new ATOM 828 N VAL A 55 21.464 -5.754 -0.923 1.00 0.00 N ATOM 829 CA VAL A 55 20.720 -6.960 -0.600 1.00 0.00 C ATOM 830 C VAL A 55 19.556 -6.613 0.316 1.00 0.00 C ATOM 831 O VAL A 55 19.689 -5.734 1.168 1.00 0.00 O ATOM 832 CB VAL A 55 21.637 -7.986 0.100 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.875 -8.813 1.118 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.316 -8.885 -0.920 1.00 0.00 C ATOM 0 H VAL A 55 22.147 -5.493 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 55 20.342 -7.396 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 55 22.405 -7.428 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.553 -9.524 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.452 -8.156 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.072 -9.355 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.957 -9.600 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.560 -9.422 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.919 -8.278 -1.596 1.00 0.00 H new ATOM 844 N TYR A 56 18.435 -7.321 0.161 1.00 0.00 N ATOM 845 CA TYR A 56 17.268 -7.097 1.019 1.00 0.00 C ATOM 846 C TYR A 56 16.002 -7.717 0.434 1.00 0.00 C ATOM 847 O TYR A 56 15.989 -8.131 -0.726 1.00 0.00 O ATOM 848 CB TYR A 56 17.029 -5.600 1.261 1.00 0.00 C ATOM 849 CG TYR A 56 16.675 -4.831 0.004 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.649 -4.506 -0.932 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.368 -4.436 -0.246 1.00 0.00 C ATOM 852 CE1 TYR A 56 17.330 -3.809 -2.082 1.00 0.00 C ATOM 853 CE2 TYR A 56 15.040 -3.741 -1.395 1.00 0.00 C ATOM 854 CZ TYR A 56 16.025 -3.430 -2.309 1.00 0.00 C ATOM 855 OH TYR A 56 15.705 -2.739 -3.454 1.00 0.00 O ATOM 0 H TYR A 56 18.310 -8.048 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 56 17.489 -7.584 1.969 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.225 -5.482 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.925 -5.164 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.673 -4.803 -0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.595 -4.676 0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.099 -3.563 -2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 56 14.018 -3.443 -1.576 1.00 0.00 H new ATOM 0 HH TYR A 56 15.630 -3.365 -4.204 1.00 0.00 H new ATOM 865 N ASN A 57 14.941 -7.784 1.229 1.00 0.00 N ATOM 866 CA ASN A 57 13.686 -8.363 0.763 1.00 0.00 C ATOM 867 C ASN A 57 12.714 -7.270 0.335 1.00 0.00 C ATOM 868 O ASN A 57 12.947 -6.088 0.586 1.00 0.00 O ATOM 869 CB ASN A 57 13.053 -9.226 1.855 1.00 0.00 C ATOM 870 CG ASN A 57 13.948 -10.375 2.277 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.764 -10.238 3.188 1.00 0.00 O ATOM 872 ND2 ASN A 57 13.799 -11.515 1.613 1.00 0.00 N ATOM 0 H ASN A 57 14.923 -7.448 2.192 1.00 0.00 H new ATOM 0 HA ASN A 57 13.905 -8.993 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.832 -8.604 2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.103 -9.622 1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.374 -12.323 1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.109 -11.583 0.865 1.00 0.00 H new ATOM 879 N THR A 58 11.622 -7.672 -0.304 1.00 0.00 N ATOM 880 CA THR A 58 10.617 -6.723 -0.763 1.00 0.00 C ATOM 881 C THR A 58 9.565 -6.492 0.314 1.00 0.00 C ATOM 882 O THR A 58 8.575 -7.219 0.395 1.00 0.00 O ATOM 883 CB THR A 58 9.923 -7.209 -2.048 1.00 0.00 C ATOM 884 OG1 THR A 58 10.904 -7.596 -3.018 1.00 0.00 O ATOM 885 CG2 THR A 58 9.035 -6.118 -2.630 1.00 0.00 C ATOM 0 H THR A 58 11.411 -8.647 -0.516 1.00 0.00 H new ATOM 0 HA THR A 58 11.135 -5.788 -0.978 1.00 0.00 H new ATOM 0 HB THR A 58 9.301 -8.068 -1.795 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.455 -7.906 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.555 -6.485 -3.537 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.272 -5.843 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.641 -5.244 -2.868 1.00 0.00 H new ATOM 893 N PHE A 59 9.794 -5.483 1.146 1.00 0.00 N ATOM 894 CA PHE A 59 8.865 -5.160 2.222 1.00 0.00 C ATOM 895 C PHE A 59 7.493 -4.799 1.658 1.00 0.00 C ATOM 896 O PHE A 59 6.647 -5.672 1.463 1.00 0.00 O ATOM 897 CB PHE A 59 9.408 -4.021 3.097 1.00 0.00 C ATOM 898 CG PHE A 59 10.388 -3.115 2.399 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.729 -3.455 2.317 1.00 0.00 C ATOM 900 CD2 PHE A 59 9.969 -1.922 1.830 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.633 -2.626 1.681 1.00 0.00 C ATOM 902 CE2 PHE A 59 10.869 -1.089 1.192 1.00 0.00 C ATOM 903 CZ PHE A 59 12.202 -1.441 1.118 1.00 0.00 C ATOM 0 H PHE A 59 10.612 -4.876 1.097 1.00 0.00 H new ATOM 0 HA PHE A 59 8.757 -6.044 2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.570 -3.423 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.891 -4.451 3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.072 -4.380 2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.928 -1.640 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.675 -2.904 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.530 -0.163 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.906 -0.791 0.621 1.00 0.00 H new ATOM 913 N CYS A 60 7.274 -3.515 1.396 1.00 0.00 N ATOM 914 CA CYS A 60 6.009 -3.059 0.839 1.00 0.00 C ATOM 915 C CYS A 60 5.846 -3.588 -0.581 1.00 0.00 C ATOM 916 O CYS A 60 6.643 -3.274 -1.464 1.00 0.00 O ATOM 917 CB CYS A 60 5.945 -1.531 0.855 1.00 0.00 C ATOM 918 SG CYS A 60 6.122 -0.801 2.517 1.00 0.00 S ATOM 0 H CYS A 60 7.955 -2.774 1.561 1.00 0.00 H new ATOM 0 HA CYS A 60 5.192 -3.443 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.731 -1.137 0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.994 -1.213 0.428 1.00 0.00 H new ATOM 923 N ILE A 61 4.815 -4.397 -0.796 1.00 0.00 N ATOM 924 CA ILE A 61 4.577 -4.986 -2.106 1.00 0.00 C ATOM 925 C ILE A 61 3.302 -4.463 -2.765 1.00 0.00 C ATOM 926 O ILE A 61 2.991 -4.849 -3.893 1.00 0.00 O ATOM 927 CB ILE A 61 4.507 -6.524 -2.019 1.00 0.00 C ATOM 928 CG1 ILE A 61 3.290 -6.963 -1.200 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.787 -7.076 -1.407 1.00 0.00 C ATOM 930 CD1 ILE A 61 3.133 -8.467 -1.104 1.00 0.00 C ATOM 0 H ILE A 61 4.134 -4.658 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 61 5.423 -4.690 -2.726 1.00 0.00 H new ATOM 0 HB ILE A 61 4.402 -6.923 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.371 -6.550 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.390 -6.540 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.724 -8.163 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.638 -6.793 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.916 -6.668 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.251 -8.703 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.020 -8.886 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.016 -8.895 -0.629 1.00 0.00 H new ATOM 942 N TYR A 62 2.562 -3.590 -2.073 1.00 0.00 N ATOM 943 CA TYR A 62 1.331 -3.030 -2.639 1.00 0.00 C ATOM 944 C TYR A 62 0.269 -4.099 -2.856 1.00 0.00 C ATOM 945 O TYR A 62 0.511 -5.097 -3.534 1.00 0.00 O ATOM 946 CB TYR A 62 1.628 -2.368 -3.990 1.00 0.00 C ATOM 947 CG TYR A 62 1.065 -0.969 -4.116 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.300 -0.726 -4.044 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.909 0.113 -4.284 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.798 0.560 -4.143 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.425 1.400 -4.379 1.00 0.00 C ATOM 952 CZ TYR A 62 0.069 1.621 -4.308 1.00 0.00 C ATOM 953 OH TYR A 62 -0.422 2.903 -4.402 1.00 0.00 O ATOM 0 H TYR A 62 2.789 -3.260 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 62 0.954 -2.298 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.707 -2.331 -4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.219 -2.989 -4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.982 -1.553 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.974 -0.054 -4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.863 0.734 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.105 2.229 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 62 0.322 3.531 -4.514 1.00 0.00 H new ATOM 963 N LYS A 63 -0.912 -3.891 -2.282 1.00 0.00 N ATOM 964 CA LYS A 63 -2.022 -4.811 -2.475 1.00 0.00 C ATOM 965 C LYS A 63 -3.312 -4.182 -1.965 1.00 0.00 C ATOM 966 O LYS A 63 -3.914 -4.656 -1.004 1.00 0.00 O ATOM 967 CB LYS A 63 -1.755 -6.132 -1.748 1.00 0.00 C ATOM 968 CG LYS A 63 -1.544 -5.976 -0.251 1.00 0.00 C ATOM 969 CD LYS A 63 -1.259 -7.311 0.417 1.00 0.00 C ATOM 970 CE LYS A 63 0.207 -7.683 0.320 1.00 0.00 C ATOM 971 NZ LYS A 63 0.494 -8.988 0.978 1.00 0.00 N ATOM 0 H LYS A 63 -1.122 -3.094 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.124 -5.018 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.594 -6.806 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.874 -6.604 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.714 -5.293 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.430 -5.526 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.554 -7.264 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.864 -8.088 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.500 -7.733 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.811 -6.903 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.461 -8.979 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.182 -9.142 1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.404 -9.755 0.282 1.00 0.00 H new ATOM 985 N ARG A 64 -3.739 -3.115 -2.623 1.00 0.00 N ATOM 986 CA ARG A 64 -4.940 -2.395 -2.230 1.00 0.00 C ATOM 987 C ARG A 64 -6.203 -3.143 -2.639 1.00 0.00 C ATOM 988 O ARG A 64 -6.178 -4.351 -2.871 1.00 0.00 O ATOM 989 CB ARG A 64 -4.930 -1.001 -2.852 1.00 0.00 C ATOM 990 CG ARG A 64 -4.489 -1.002 -4.306 1.00 0.00 C ATOM 991 CD ARG A 64 -4.016 0.368 -4.745 1.00 0.00 C ATOM 992 NE ARG A 64 -5.122 1.308 -4.896 1.00 0.00 N ATOM 993 CZ ARG A 64 -4.978 2.551 -5.344 1.00 0.00 C ATOM 994 NH1 ARG A 64 -3.772 3.013 -5.651 1.00 0.00 N ATOM 995 NH2 ARG A 64 -6.038 3.335 -5.481 1.00 0.00 N ATOM 0 H ARG A 64 -3.266 -2.726 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.944 -2.311 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.929 -0.571 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.264 -0.357 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.686 -1.726 -4.443 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.318 -1.322 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.307 0.758 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.483 0.281 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.059 0.993 -4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.954 2.414 -5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.664 3.967 -5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.966 2.985 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.926 4.289 -5.825 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.307 -2.408 -2.730 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.587 -2.987 -3.099 1.00 0.00 C ATOM 1011 C CYS A 65 -9.174 -2.243 -4.285 1.00 0.00 C ATOM 1012 O CYS A 65 -9.141 -1.014 -4.327 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.554 -2.911 -1.917 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.758 -2.507 -0.327 1.00 0.00 S ATOM 0 H CYS A 65 -7.337 -1.404 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.434 -4.031 -3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.314 -2.160 -2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.069 -3.867 -1.821 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.710 -2.978 -5.251 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.297 -2.336 -6.414 1.00 0.00 C ATOM 1021 C ARG A 66 -11.511 -1.537 -5.969 1.00 0.00 C ATOM 1022 O ARG A 66 -12.282 -1.990 -5.130 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.673 -3.365 -7.484 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.286 -2.755 -8.733 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.302 -1.849 -9.455 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.867 -1.300 -10.684 1.00 0.00 N ATOM 1027 CZ ARG A 66 -10.370 -0.242 -11.315 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.303 0.383 -10.833 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -10.939 0.194 -12.429 1.00 0.00 N ATOM 0 H ARG A 66 -9.750 -3.997 -5.252 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.566 -1.664 -6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.781 -3.926 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.377 -4.079 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.610 -3.550 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.174 -2.185 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.008 -1.033 -8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.398 -2.410 -9.690 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.690 -1.754 -11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.862 0.051 -9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.924 1.195 -11.320 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.760 -0.283 -12.803 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.557 1.007 -12.913 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.676 -0.353 -6.538 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.791 0.512 -6.190 1.00 0.00 C ATOM 1045 C HIS A 67 -14.111 -0.261 -6.159 1.00 0.00 C ATOM 1046 O HIS A 67 -14.386 -1.062 -7.052 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.891 1.653 -7.200 1.00 0.00 C ATOM 1048 CG HIS A 67 -11.610 2.400 -7.399 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -10.656 2.024 -8.322 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -11.128 3.509 -6.792 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -9.642 2.871 -8.273 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -9.905 3.781 -7.353 1.00 0.00 N ATOM 0 H HIS A 67 -11.049 0.031 -7.245 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.609 0.912 -5.193 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.217 1.249 -8.158 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.660 2.351 -6.870 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.615 4.075 -6.011 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.751 2.826 -8.881 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.297 4.560 -7.100 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.945 -0.028 -5.127 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.249 -0.686 -5.001 1.00 0.00 C ATOM 1063 C PRO A 68 -17.145 -0.313 -6.166 1.00 0.00 C ATOM 1064 O PRO A 68 -17.922 -1.129 -6.662 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.822 -0.122 -3.695 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.069 1.139 -3.449 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.699 0.917 -4.024 1.00 0.00 C ATOM 0 HA PRO A 68 -16.172 -1.773 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.891 0.069 -3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.692 -0.825 -2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.560 1.987 -3.926 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.014 1.360 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.257 1.847 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.014 0.503 -3.284 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.014 0.932 -6.600 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.828 1.439 -7.679 1.00 0.00 C ATOM 1077 C GLY A 69 -18.786 2.495 -7.178 1.00 0.00 C ATOM 1078 O GLY A 69 -18.801 2.830 -5.993 1.00 0.00 O ATOM 0 H GLY A 69 -16.350 1.605 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.189 1.860 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.387 0.621 -8.134 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.586 3.016 -8.093 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.559 4.033 -7.744 1.00 0.00 C ATOM 1084 C GLU A 70 -21.781 3.386 -7.102 1.00 0.00 C ATOM 1085 O GLU A 70 -22.292 2.374 -7.583 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.953 4.866 -8.965 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.878 6.027 -8.639 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.299 6.955 -7.588 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -20.567 7.894 -7.964 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.579 6.742 -6.390 1.00 0.00 O ATOM 0 H GLU A 70 -19.580 2.752 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.105 4.712 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.050 5.254 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.440 4.218 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.079 6.594 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.834 5.638 -8.288 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.240 3.985 -6.006 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.413 3.500 -5.294 1.00 0.00 C ATOM 1099 C LEU A 71 -24.633 4.252 -5.800 1.00 0.00 C ATOM 1100 O LEU A 71 -24.910 5.363 -5.348 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.247 3.720 -3.782 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.968 2.718 -2.866 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.783 3.114 -1.409 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.449 2.619 -3.205 1.00 0.00 C ATOM 0 H LEU A 71 -21.812 4.813 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.535 2.432 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.183 3.694 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.603 4.722 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.525 1.735 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.298 2.397 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.721 3.120 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.198 4.109 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.928 1.902 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.916 3.596 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.565 2.288 -4.237 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.360 3.659 -6.741 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.558 4.306 -7.256 1.00 0.00 C ATOM 1118 C ARG A 72 -27.544 4.472 -6.115 1.00 0.00 C ATOM 1119 O ARG A 72 -27.940 3.503 -5.465 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.171 3.532 -8.422 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.553 4.021 -8.818 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.077 3.283 -10.039 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.215 3.466 -11.203 1.00 0.00 N ATOM 1124 CZ ARG A 72 -28.480 2.961 -12.402 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -29.582 2.248 -12.595 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -27.645 3.169 -13.410 1.00 0.00 N ATOM 0 H ARG A 72 -25.146 2.751 -7.154 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.293 5.285 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.508 3.605 -9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.231 2.477 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.242 3.882 -7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.516 5.090 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.158 2.220 -9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.081 3.637 -10.273 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.361 4.012 -11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.227 2.087 -11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -29.784 1.861 -13.517 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -26.797 3.718 -13.265 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -27.850 2.780 -14.331 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.924 5.727 -5.882 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.793 6.070 -4.774 1.00 0.00 C ATOM 1142 C ASN A 73 -28.028 5.744 -3.507 1.00 0.00 C ATOM 1143 O ASN A 73 -28.558 5.124 -2.587 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.115 5.299 -4.838 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.873 5.553 -6.127 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.754 6.619 -6.732 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -31.660 4.572 -6.555 1.00 0.00 N ATOM 0 H ASN A 73 -27.638 6.522 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.060 7.126 -4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.915 4.232 -4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.739 5.583 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.195 4.686 -7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.729 3.705 -6.023 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.777 6.198 -3.459 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.937 5.917 -2.318 1.00 0.00 C ATOM 1156 C GLY A 74 -24.617 6.664 -2.363 1.00 0.00 C ATOM 1157 O GLY A 74 -24.325 7.368 -3.330 1.00 0.00 O ATOM 0 H GLY A 74 -26.336 6.754 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.470 6.184 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.742 4.846 -2.271 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.822 6.509 -1.308 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.531 7.186 -1.230 1.00 0.00 C ATOM 1163 C GLN A 75 -21.434 6.247 -0.734 1.00 0.00 C ATOM 1164 O GLN A 75 -21.642 5.456 0.186 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.622 8.407 -0.316 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.644 9.436 -0.773 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.192 10.212 -1.995 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -22.426 9.710 -2.818 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -23.669 11.445 -2.120 1.00 0.00 N ATOM 0 H GLN A 75 -24.046 5.926 -0.502 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.270 7.510 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.876 8.078 0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.642 8.881 -0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -24.585 8.933 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -23.840 10.133 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -24.302 11.821 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -23.403 12.016 -2.922 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.266 6.352 -1.359 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.129 5.521 -0.983 1.00 0.00 C ATOM 1180 C VAL A 76 -18.110 6.331 -0.194 1.00 0.00 C ATOM 1181 O VAL A 76 -17.424 7.190 -0.751 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.435 4.903 -2.211 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.260 4.039 -1.776 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.427 4.092 -3.030 1.00 0.00 C ATOM 0 H VAL A 76 -20.083 7.001 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.521 4.714 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.054 5.709 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.780 3.609 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.540 4.651 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.617 3.238 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.920 3.662 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.838 3.291 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.235 4.740 -3.369 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.008 6.062 1.102 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.065 6.776 1.952 1.00 0.00 C ATOM 1196 C GLU A 77 -15.626 6.402 1.609 1.00 0.00 C ATOM 1197 O GLU A 77 -15.134 5.352 2.019 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.341 6.473 3.424 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.396 7.183 4.377 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.632 8.679 4.426 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.606 9.104 5.083 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.845 9.426 3.809 1.00 0.00 O ATOM 0 H GLU A 77 -18.565 5.357 1.585 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.197 7.843 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.366 6.761 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.267 5.398 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.515 6.767 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.367 6.991 4.073 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.959 7.268 0.855 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.572 7.035 0.463 1.00 0.00 C ATOM 1211 C ILE A 78 -12.660 8.084 1.087 1.00 0.00 C ATOM 1212 O ILE A 78 -12.870 9.285 0.913 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.401 7.051 -1.070 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.198 5.909 -1.712 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.927 6.949 -1.441 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.702 4.529 -1.330 1.00 0.00 C ATOM 0 H ILE A 78 -15.356 8.139 0.502 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.295 6.046 0.827 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.788 7.996 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.245 6.002 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.156 6.013 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.823 6.962 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.385 7.793 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.516 6.019 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.314 3.773 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.664 4.416 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.770 4.404 -0.249 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.647 7.624 1.812 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.714 8.525 2.480 1.00 0.00 C ATOM 1230 C LYS A 79 -9.398 7.834 2.775 1.00 0.00 C ATOM 1231 O LYS A 79 -8.647 8.253 3.657 1.00 0.00 O ATOM 1232 CB LYS A 79 -11.319 9.024 3.790 1.00 0.00 C ATOM 1233 CG LYS A 79 -11.497 7.934 4.843 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.446 6.837 4.378 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.737 5.845 5.492 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.815 4.888 5.114 1.00 0.00 N ATOM 0 H LYS A 79 -11.450 6.633 1.953 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.526 9.365 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.682 9.809 4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.289 9.477 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.527 7.497 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.879 8.378 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.379 7.283 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.010 6.313 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.829 5.293 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.030 6.385 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.545 4.878 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.241 5.183 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.413 3.935 5.011 1.00 0.00 H new ATOM 1250 N THR A 80 -9.115 6.785 2.029 1.00 0.00 N ATOM 1251 CA THR A 80 -7.893 6.033 2.227 1.00 0.00 C ATOM 1252 C THR A 80 -7.361 5.512 0.907 1.00 0.00 C ATOM 1253 O THR A 80 -6.484 4.647 0.881 1.00 0.00 O ATOM 1254 CB THR A 80 -8.120 4.854 3.189 1.00 0.00 C ATOM 1255 OG1 THR A 80 -9.019 3.906 2.601 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.687 5.341 4.516 1.00 0.00 C ATOM 0 H THR A 80 -9.714 6.435 1.281 1.00 0.00 H new ATOM 0 HA THR A 80 -7.160 6.710 2.665 1.00 0.00 H new ATOM 0 HB THR A 80 -7.159 4.375 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.405 3.342 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.840 4.491 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.988 6.040 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.640 5.842 4.343 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.895 6.043 -0.193 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.462 5.614 -1.523 1.00 0.00 C ATOM 1266 C ASP A 81 -7.718 4.131 -1.717 1.00 0.00 C ATOM 1267 O ASP A 81 -7.264 3.528 -2.691 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.978 5.872 -1.692 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.650 7.348 -1.799 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.990 7.956 -2.836 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.059 7.897 -0.846 1.00 0.00 O ATOM 0 H ASP A 81 -8.619 6.762 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.029 6.181 -2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.440 5.445 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.624 5.359 -2.586 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.441 3.560 -0.771 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.769 2.144 -0.798 1.00 0.00 C ATOM 1278 C LEU A 82 -7.510 1.310 -0.607 1.00 0.00 C ATOM 1279 O LEU A 82 -7.201 0.433 -1.414 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.432 1.810 -2.123 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.621 2.696 -2.474 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.258 3.675 -3.578 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.791 1.839 -2.886 1.00 0.00 C ATOM 0 H LEU A 82 -8.816 4.061 0.034 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.457 1.914 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.689 1.889 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.763 0.772 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.899 3.275 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.122 4.297 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.435 4.308 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.956 3.124 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.639 2.477 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.517 1.242 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.065 1.177 -2.064 1.00 0.00 H new ATOM 1295 N SER A 83 -6.794 1.590 0.465 1.00 0.00 N ATOM 1296 CA SER A 83 -5.579 0.850 0.787 1.00 0.00 C ATOM 1297 C SER A 83 -5.902 -0.328 1.703 1.00 0.00 C ATOM 1298 O SER A 83 -6.573 -0.164 2.722 1.00 0.00 O ATOM 1299 CB SER A 83 -4.546 1.768 1.444 1.00 0.00 C ATOM 1300 OG SER A 83 -5.125 2.529 2.488 1.00 0.00 O ATOM 0 H SER A 83 -7.029 2.325 1.132 1.00 0.00 H new ATOM 0 HA SER A 83 -5.155 0.465 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.724 1.171 1.839 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.122 2.437 0.695 1.00 0.00 H new ATOM 0 HG SER A 83 -5.606 3.294 2.108 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.425 -1.514 1.318 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.656 -2.741 2.084 1.00 0.00 C ATOM 1308 C PHE A 84 -5.684 -2.478 3.586 1.00 0.00 C ATOM 1309 O PHE A 84 -4.883 -1.700 4.107 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.571 -3.772 1.758 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.453 -4.875 2.775 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.298 -5.971 2.732 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.492 -4.811 3.773 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.188 -6.983 3.667 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.378 -5.820 4.710 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.227 -6.908 4.657 1.00 0.00 C ATOM 0 H PHE A 84 -4.871 -1.651 0.472 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.633 -3.130 1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.782 -4.211 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.611 -3.262 1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.051 -6.036 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.825 -3.963 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.853 -7.833 3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.626 -5.758 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.140 -7.698 5.388 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.612 -3.134 4.279 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.727 -2.968 5.714 1.00 0.00 C ATOM 1328 C GLY A 85 -7.547 -1.753 6.096 1.00 0.00 C ATOM 1329 O GLY A 85 -7.139 -0.970 6.955 1.00 0.00 O ATOM 0 H GLY A 85 -7.287 -3.779 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.184 -3.860 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.731 -2.880 6.147 1.00 0.00 H new ATOM 1333 N SER A 86 -8.707 -1.590 5.463 1.00 0.00 N ATOM 1334 CA SER A 86 -9.572 -0.454 5.761 1.00 0.00 C ATOM 1335 C SER A 86 -11.034 -0.745 5.447 1.00 0.00 C ATOM 1336 O SER A 86 -11.363 -1.656 4.686 1.00 0.00 O ATOM 1337 CB SER A 86 -9.123 0.788 4.990 1.00 0.00 C ATOM 1338 OG SER A 86 -9.065 0.534 3.597 1.00 0.00 O ATOM 0 H SER A 86 -9.066 -2.223 4.748 1.00 0.00 H new ATOM 0 HA SER A 86 -9.486 -0.269 6.832 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.813 1.609 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.143 1.105 5.346 1.00 0.00 H new ATOM 0 HG SER A 86 -8.136 0.370 3.333 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.895 0.053 6.059 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.331 -0.090 5.861 1.00 0.00 C ATOM 1346 C GLN A 87 -13.907 1.196 5.283 1.00 0.00 C ATOM 1347 O GLN A 87 -13.512 2.294 5.671 1.00 0.00 O ATOM 1348 CB GLN A 87 -14.043 -0.470 7.164 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.066 0.638 8.198 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.028 1.753 7.848 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.107 1.514 7.305 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.628 2.984 8.135 1.00 0.00 N ATOM 0 H GLN A 87 -11.627 0.804 6.695 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.498 -0.901 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.068 -0.761 6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.552 -1.344 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.341 0.219 9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.063 1.051 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.725 3.135 8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.223 3.780 7.905 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.822 1.053 4.334 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.451 2.208 3.704 1.00 0.00 C ATOM 1363 C ILE A 88 -16.967 2.145 3.845 1.00 0.00 C ATOM 1364 O ILE A 88 -17.646 1.441 3.097 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.069 2.326 2.213 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.304 1.000 1.483 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.616 2.760 2.082 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.077 1.079 -0.011 1.00 0.00 C ATOM 0 H ILE A 88 -15.145 0.151 3.983 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.081 3.094 4.220 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.705 3.080 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.642 0.242 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.326 0.669 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.354 2.841 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.480 3.728 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.971 2.022 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.262 0.103 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.757 1.812 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.048 1.379 -0.207 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.491 2.883 4.816 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.921 2.912 5.071 1.00 0.00 C ATOM 1382 C GLU A 89 -19.689 3.388 3.847 1.00 0.00 C ATOM 1383 O GLU A 89 -19.130 4.030 2.959 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.218 3.816 6.264 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.030 3.125 7.603 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.444 3.995 8.774 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -20.657 4.067 9.061 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.554 4.602 9.407 1.00 0.00 O ATOM 0 H GLU A 89 -16.941 3.472 5.442 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.248 1.897 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.568 4.690 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.244 4.178 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -19.612 2.204 7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.983 2.843 7.718 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.977 3.067 3.807 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.825 3.460 2.692 1.00 0.00 C ATOM 1397 C PHE A 90 -23.024 4.264 3.185 1.00 0.00 C ATOM 1398 O PHE A 90 -23.169 4.499 4.385 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.287 2.224 1.922 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.154 1.338 1.478 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.681 0.330 2.306 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.564 1.511 0.234 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.643 -0.487 1.901 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.525 0.696 -0.174 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.064 -0.303 0.659 1.00 0.00 C ATOM 0 H PHE A 90 -21.455 2.536 4.535 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.245 4.093 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.965 1.646 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.855 2.541 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.129 0.182 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.921 2.291 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.284 -1.269 2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.074 0.841 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.252 -0.940 0.341 1.00 0.00 H new ATOM 1415 N SER A 91 -23.884 4.682 2.260 1.00 0.00 N ATOM 1416 CA SER A 91 -25.052 5.469 2.645 1.00 0.00 C ATOM 1417 C SER A 91 -26.094 5.571 1.539 1.00 0.00 C ATOM 1418 O SER A 91 -25.846 6.144 0.483 1.00 0.00 O ATOM 1419 CB SER A 91 -24.630 6.874 3.074 1.00 0.00 C ATOM 1420 OG SER A 91 -23.532 7.334 2.309 1.00 0.00 O ATOM 0 H SER A 91 -23.799 4.495 1.261 1.00 0.00 H new ATOM 0 HA SER A 91 -25.514 4.942 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 91 -25.469 7.560 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.364 6.870 4.131 1.00 0.00 H new ATOM 0 HG SER A 91 -23.263 8.222 2.624 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.266 5.017 1.818 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.361 5.076 0.858 1.00 0.00 C ATOM 1428 C CYS A 92 -29.077 6.419 0.989 1.00 0.00 C ATOM 1429 O CYS A 92 -29.484 6.812 2.083 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.334 3.911 1.052 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.684 2.302 0.489 1.00 0.00 S ATOM 0 H CYS A 92 -27.482 4.529 2.687 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.953 4.987 -0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.592 3.838 2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.256 4.128 0.513 1.00 0.00 H new ATOM 1436 N SER A 93 -29.207 7.120 -0.135 1.00 0.00 N ATOM 1437 CA SER A 93 -29.835 8.444 -0.171 1.00 0.00 C ATOM 1438 C SER A 93 -31.172 8.512 0.562 1.00 0.00 C ATOM 1439 O SER A 93 -31.668 7.528 1.103 1.00 0.00 O ATOM 1440 CB SER A 93 -30.040 8.892 -1.616 1.00 0.00 C ATOM 1441 OG SER A 93 -28.808 9.229 -2.228 1.00 0.00 O ATOM 0 H SER A 93 -28.882 6.791 -1.044 1.00 0.00 H new ATOM 0 HA SER A 93 -29.148 9.111 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.524 8.095 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.709 9.752 -1.641 1.00 0.00 H new ATOM 0 HG SER A 93 -28.968 9.511 -3.153 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.739 9.713 0.542 1.00 0.00 N ATOM 1448 CA GLU A 94 -33.016 10.017 1.178 1.00 0.00 C ATOM 1449 C GLU A 94 -34.051 8.904 1.032 1.00 0.00 C ATOM 1450 O GLU A 94 -34.278 8.138 1.969 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.573 11.321 0.603 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.947 11.680 1.132 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.486 12.966 0.537 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.895 12.949 -0.643 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.496 13.993 1.249 1.00 0.00 O ATOM 0 H GLU A 94 -31.317 10.516 0.076 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.820 10.117 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.882 12.133 0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.621 11.238 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.639 10.866 0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.900 11.778 2.217 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.678 8.819 -0.132 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.729 7.836 -0.352 1.00 0.00 C ATOM 1464 C GLY A 95 -35.258 6.396 -0.396 1.00 0.00 C ATOM 1465 O GLY A 95 -35.908 5.562 -1.023 1.00 0.00 O ATOM 0 H GLY A 95 -34.479 9.415 -0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.471 7.936 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.232 8.067 -1.291 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.156 6.085 0.272 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.650 4.710 0.294 1.00 0.00 C ATOM 1471 C PHE A 96 -32.821 4.437 1.547 1.00 0.00 C ATOM 1472 O PHE A 96 -32.135 5.321 2.057 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.780 4.435 -0.944 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.435 4.771 -2.256 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.374 3.921 -2.814 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.112 5.938 -2.927 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.983 4.227 -4.014 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.716 6.251 -4.132 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.653 5.394 -4.675 1.00 0.00 C ATOM 0 H PHE A 96 -33.597 6.754 0.802 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.517 4.050 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.856 5.007 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.503 3.381 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.634 3.006 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.381 6.612 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.716 3.555 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.455 7.164 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.127 5.636 -5.615 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.896 3.202 2.041 1.00 0.00 N ATOM 1490 CA PHE A 97 -32.127 2.800 3.214 1.00 0.00 C ATOM 1491 C PHE A 97 -31.021 1.847 2.793 1.00 0.00 C ATOM 1492 O PHE A 97 -31.045 1.279 1.701 1.00 0.00 O ATOM 1493 CB PHE A 97 -33.030 2.175 4.285 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.606 0.833 3.928 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.589 0.722 2.959 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -33.182 -0.313 4.582 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.140 -0.507 2.649 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.726 -1.545 4.274 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.708 -1.642 3.307 1.00 0.00 C ATOM 0 H PHE A 97 -33.481 2.465 1.647 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.675 3.685 3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.458 2.074 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.850 2.862 4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.929 1.606 2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.417 -0.242 5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.908 -0.580 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.384 -2.431 4.788 1.00 0.00 H new ATOM 0 HZ PHE A 97 -35.137 -2.603 3.066 1.00 0.00 H new ATOM 1509 N LEU A 98 -30.063 1.673 3.693 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.907 0.830 3.425 1.00 0.00 C ATOM 1511 C LEU A 98 -29.140 -0.621 3.822 1.00 0.00 C ATOM 1512 O LEU A 98 -29.771 -0.917 4.837 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.687 1.376 4.158 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.352 0.794 3.698 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.234 1.782 3.963 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -26.079 -0.530 4.393 1.00 0.00 C ATOM 0 H LEU A 98 -30.064 2.106 4.617 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.736 0.848 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.659 2.458 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.804 1.182 5.224 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.402 0.608 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.287 1.357 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.428 2.706 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -25.182 1.995 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.124 -0.929 4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.044 -0.374 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.874 -1.237 4.154 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.612 -1.517 2.993 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.698 -2.958 3.203 1.00 0.00 C ATOM 1530 C ILE A 99 -27.641 -3.647 2.360 1.00 0.00 C ATOM 1531 O ILE A 99 -27.821 -3.879 1.165 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.063 -3.530 2.789 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.022 -2.407 2.427 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.637 -4.398 3.897 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.201 -2.859 1.595 1.00 0.00 C ATOM 0 H ILE A 99 -28.106 -1.259 2.146 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.552 -3.136 4.268 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.924 -4.156 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.391 -1.946 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.477 -1.637 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.604 -4.794 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.956 -5.224 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.764 -3.800 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.841 -2.004 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.843 -3.293 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.771 -3.606 2.147 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.534 -3.966 3.013 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.426 -4.620 2.347 1.00 0.00 C ATOM 1549 C GLY A 100 -24.115 -4.394 3.064 1.00 0.00 C ATOM 1550 O GLY A 100 -23.102 -4.080 2.439 1.00 0.00 O ATOM 0 H GLY A 100 -26.382 -3.781 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.623 -5.690 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.348 -4.249 1.325 1.00 0.00 H new ATOM 1554 N SER A 101 -24.141 -4.551 4.380 1.00 0.00 N ATOM 1555 CA SER A 101 -22.955 -4.354 5.206 1.00 0.00 C ATOM 1556 C SER A 101 -22.487 -2.905 5.119 1.00 0.00 C ATOM 1557 O SER A 101 -21.842 -2.510 4.147 1.00 0.00 O ATOM 1558 CB SER A 101 -21.830 -5.297 4.767 1.00 0.00 C ATOM 1559 OG SER A 101 -20.712 -5.196 5.632 1.00 0.00 O ATOM 0 H SER A 101 -24.976 -4.816 4.903 1.00 0.00 H new ATOM 0 HA SER A 101 -23.214 -4.581 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.195 -6.324 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.528 -5.057 3.748 1.00 0.00 H new ATOM 0 HG SER A 101 -20.082 -4.534 5.277 1.00 0.00 H new ATOM 1565 N THR A 102 -22.818 -2.113 6.137 1.00 0.00 N ATOM 1566 CA THR A 102 -22.441 -0.704 6.171 1.00 0.00 C ATOM 1567 C THR A 102 -20.933 -0.531 6.204 1.00 0.00 C ATOM 1568 O THR A 102 -20.432 0.592 6.220 1.00 0.00 O ATOM 1569 CB THR A 102 -23.051 0.016 7.389 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.495 -0.513 8.598 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.563 -0.144 7.411 1.00 0.00 C ATOM 0 H THR A 102 -23.348 -2.425 6.951 1.00 0.00 H new ATOM 0 HA THR A 102 -22.834 -0.259 5.257 1.00 0.00 H new ATOM 0 HB THR A 102 -22.814 1.077 7.312 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.886 -0.050 9.368 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.971 0.373 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.987 0.283 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.816 -1.203 7.467 1.00 0.00 H new ATOM 1579 N THR A 103 -20.213 -1.636 6.219 1.00 0.00 N ATOM 1580 CA THR A 103 -18.772 -1.584 6.221 1.00 0.00 C ATOM 1581 C THR A 103 -18.230 -2.384 5.052 1.00 0.00 C ATOM 1582 O THR A 103 -18.935 -3.220 4.487 1.00 0.00 O ATOM 1583 CB THR A 103 -18.193 -2.108 7.537 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.698 -3.420 7.813 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.534 -1.168 8.683 1.00 0.00 C ATOM 0 H THR A 103 -20.606 -2.577 6.230 1.00 0.00 H new ATOM 0 HA THR A 103 -18.469 -0.542 6.120 1.00 0.00 H new ATOM 0 HB THR A 103 -17.109 -2.159 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.319 -3.746 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.114 -1.557 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.116 -0.182 8.481 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.617 -1.090 8.780 1.00 0.00 H new ATOM 1593 N SER A 104 -16.985 -2.133 4.688 1.00 0.00 N ATOM 1594 CA SER A 104 -16.356 -2.859 3.598 1.00 0.00 C ATOM 1595 C SER A 104 -14.890 -3.065 3.930 1.00 0.00 C ATOM 1596 O SER A 104 -14.122 -2.109 3.966 1.00 0.00 O ATOM 1597 CB SER A 104 -16.501 -2.097 2.276 1.00 0.00 C ATOM 1598 OG SER A 104 -15.996 -2.856 1.192 1.00 0.00 O ATOM 0 H SER A 104 -16.390 -1.433 5.130 1.00 0.00 H new ATOM 0 HA SER A 104 -16.848 -3.824 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.551 -1.862 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.968 -1.148 2.339 1.00 0.00 H new ATOM 0 HG SER A 104 -15.076 -2.578 0.998 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.495 -4.308 4.166 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.115 -4.623 4.522 1.00 0.00 C ATOM 1606 C ARG A 105 -12.291 -5.027 3.306 1.00 0.00 C ATOM 1607 O ARG A 105 -12.831 -5.322 2.240 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.084 -5.747 5.560 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.932 -5.468 6.791 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.840 -6.602 7.800 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.709 -6.383 8.953 1.00 0.00 N ATOM 1612 CZ ARG A 105 -14.606 -7.059 10.095 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.674 -7.992 10.237 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -15.437 -6.802 11.096 1.00 0.00 N ATOM 0 H ARG A 105 -15.112 -5.119 4.118 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.672 -3.720 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.430 -6.670 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.053 -5.914 5.871 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.605 -4.538 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.971 -5.327 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.110 -7.540 7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.809 -6.703 8.138 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.436 -5.672 8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.033 -8.194 9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.598 -8.508 11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.156 -6.086 10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.357 -7.320 11.971 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.976 -5.040 3.487 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.053 -5.412 2.424 1.00 0.00 C ATOM 1630 C CYS A 106 -9.265 -6.655 2.825 1.00 0.00 C ATOM 1631 O CYS A 106 -8.476 -6.625 3.770 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.097 -4.254 2.129 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.329 -4.319 0.479 1.00 0.00 S ATOM 0 H CYS A 106 -10.523 -4.795 4.367 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.624 -5.634 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.641 -3.315 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.310 -4.247 2.883 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.485 -7.747 2.100 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.838 -9.016 2.402 1.00 0.00 C ATOM 1640 C GLU A 107 -7.951 -9.459 1.247 1.00 0.00 C ATOM 1641 O GLU A 107 -8.009 -8.891 0.163 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.907 -10.074 2.688 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.351 -11.404 3.163 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.542 -11.276 4.441 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -9.153 -11.073 5.512 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -7.299 -11.372 4.369 1.00 0.00 O ATOM 0 H GLU A 107 -10.110 -7.777 1.295 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.206 -8.891 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.592 -9.688 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.491 -10.239 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.174 -12.100 3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.723 -11.831 2.381 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.135 -10.478 1.479 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.253 -10.961 0.431 1.00 0.00 C ATOM 1655 C VAL A 108 -6.286 -12.473 0.267 1.00 0.00 C ATOM 1656 O VAL A 108 -6.196 -13.232 1.233 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.802 -10.522 0.654 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.972 -10.896 -0.560 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.723 -9.031 0.899 1.00 0.00 C ATOM 0 H VAL A 108 -7.067 -10.977 2.366 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.636 -10.509 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.411 -11.031 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.939 -10.585 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.008 -11.976 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.372 -10.397 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.683 -8.742 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.122 -8.499 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.307 -8.776 1.784 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.416 -12.884 -0.987 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.453 -14.298 -1.331 1.00 0.00 C ATOM 1671 C GLN A 109 -5.473 -14.625 -2.454 1.00 0.00 C ATOM 1672 O GLN A 109 -5.616 -14.138 -3.574 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.872 -14.687 -1.748 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.957 -13.961 -0.965 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.353 -14.311 -1.439 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.599 -15.416 -1.924 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.277 -13.367 -1.303 1.00 0.00 N ATOM 0 H GLN A 109 -6.498 -12.255 -1.786 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.157 -14.870 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.000 -14.478 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.999 -15.762 -1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.864 -14.209 0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.806 -12.885 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.029 -12.465 -0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.235 -13.544 -1.606 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.486 -15.465 -2.145 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.478 -15.866 -3.122 1.00 0.00 C ATOM 1688 C ASP A 110 -2.782 -14.652 -3.729 1.00 0.00 C ATOM 1689 O ASP A 110 -1.804 -14.147 -3.180 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.112 -16.724 -4.217 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.514 -18.098 -3.716 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -3.636 -18.982 -3.642 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -5.706 -18.287 -3.397 1.00 0.00 O ATOM 0 H ASP A 110 -4.364 -15.882 -1.222 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.723 -16.458 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.990 -16.213 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.408 -16.833 -5.042 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.292 -14.191 -4.864 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.725 -13.036 -5.541 1.00 0.00 C ATOM 1700 C ARG A 111 -3.807 -12.013 -5.873 1.00 0.00 C ATOM 1701 O ARG A 111 -3.716 -11.295 -6.870 1.00 0.00 O ATOM 1702 CB ARG A 111 -1.994 -13.469 -6.816 1.00 0.00 C ATOM 1703 CG ARG A 111 -2.909 -14.054 -7.878 1.00 0.00 C ATOM 1704 CD ARG A 111 -2.147 -14.357 -9.159 1.00 0.00 C ATOM 1705 NE ARG A 111 -1.030 -15.269 -8.929 1.00 0.00 N ATOM 1706 CZ ARG A 111 -0.057 -15.482 -9.809 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -0.060 -14.848 -10.974 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.923 -16.329 -9.525 1.00 0.00 N ATOM 0 H ARG A 111 -4.099 -14.601 -5.334 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.008 -12.567 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -1.471 -12.609 -7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.236 -14.208 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.369 -14.968 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.717 -13.354 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.827 -14.794 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -1.773 -13.427 -9.587 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.994 -15.771 -8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.811 -14.194 -11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.688 -15.014 -11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.931 -16.818 -8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.669 -16.491 -10.202 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.826 -11.944 -5.020 1.00 0.00 N ATOM 1723 CA GLY A 112 -5.912 -11.005 -5.229 1.00 0.00 C ATOM 1724 C GLY A 112 -6.460 -10.471 -3.930 1.00 0.00 C ATOM 1725 O GLY A 112 -6.968 -11.220 -3.101 1.00 0.00 O ATOM 0 H GLY A 112 -4.918 -12.524 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.560 -10.175 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.712 -11.495 -5.785 1.00 0.00 H new ATOM 1729 N VAL A 113 -6.372 -9.161 -3.771 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.818 -8.500 -2.558 1.00 0.00 C ATOM 1731 C VAL A 113 -7.918 -7.492 -2.813 1.00 0.00 C ATOM 1732 O VAL A 113 -8.115 -7.020 -3.932 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.641 -7.753 -1.896 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.754 -7.130 -2.959 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -6.119 -6.692 -0.912 1.00 0.00 C ATOM 0 H VAL A 113 -5.991 -8.529 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.206 -9.285 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.064 -8.483 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.927 -6.605 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.361 -7.912 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.337 -6.425 -3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.258 -6.191 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.734 -5.961 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.708 -7.164 -0.125 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.627 -7.178 -1.744 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.633 -6.162 -1.874 1.00 0.00 C ATOM 1747 C GLY A 114 -10.964 -6.444 -1.209 1.00 0.00 C ATOM 1748 O GLY A 114 -11.107 -7.414 -0.464 1.00 0.00 O ATOM 0 H GLY A 114 -8.527 -7.595 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.236 -5.233 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.811 -5.991 -2.936 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.936 -5.585 -1.484 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.255 -5.695 -0.870 1.00 0.00 C ATOM 1754 C TRP A 115 -13.912 -7.034 -1.174 1.00 0.00 C ATOM 1755 O TRP A 115 -13.869 -7.519 -2.305 1.00 0.00 O ATOM 1756 CB TRP A 115 -14.168 -4.561 -1.337 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.477 -3.237 -1.452 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.190 -2.574 -2.605 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -12.985 -2.414 -0.383 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.549 -1.393 -2.327 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.413 -1.270 -0.971 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -12.972 -2.531 1.009 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -11.837 -0.252 -0.217 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -12.397 -1.518 1.756 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -11.839 -0.392 1.142 1.00 0.00 C ATOM 0 H TRP A 115 -11.837 -4.802 -2.130 1.00 0.00 H new ATOM 0 HA TRP A 115 -13.110 -5.622 0.208 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -14.592 -4.824 -2.306 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -15.000 -4.467 -0.640 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.432 -2.927 -3.597 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.226 -0.717 -3.019 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.402 -3.395 1.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -11.404 0.617 -0.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.379 -1.598 2.833 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -11.401 0.382 1.754 1.00 0.00 H new ATOM 1776 N SER A 116 -14.519 -7.627 -0.151 1.00 0.00 N ATOM 1777 CA SER A 116 -15.209 -8.899 -0.301 1.00 0.00 C ATOM 1778 C SER A 116 -16.586 -8.664 -0.914 1.00 0.00 C ATOM 1779 O SER A 116 -17.167 -9.553 -1.539 1.00 0.00 O ATOM 1780 CB SER A 116 -15.348 -9.592 1.056 1.00 0.00 C ATOM 1781 OG SER A 116 -15.951 -10.866 0.920 1.00 0.00 O ATOM 0 H SER A 116 -14.546 -7.243 0.794 1.00 0.00 H new ATOM 0 HA SER A 116 -14.627 -9.544 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.365 -9.699 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.946 -8.973 1.724 1.00 0.00 H new ATOM 0 HG SER A 116 -16.027 -11.288 1.801 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.096 -7.448 -0.723 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.400 -7.056 -1.246 1.00 0.00 C ATOM 1789 C HIS A 117 -18.436 -5.551 -1.505 1.00 0.00 C ATOM 1790 O HIS A 117 -17.987 -4.765 -0.670 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.504 -7.435 -0.259 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.887 -7.157 -0.763 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.646 -6.093 -0.324 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.650 -7.814 -1.669 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.817 -6.107 -0.937 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.844 -7.140 -1.758 1.00 0.00 N ATOM 0 H HIS A 117 -16.618 -6.712 -0.204 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.567 -7.583 -2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.420 -8.496 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.350 -6.889 0.672 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.372 -8.701 -2.218 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.615 -5.395 -0.791 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.625 -7.397 -2.361 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.970 -5.128 -2.663 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.056 -3.718 -3.019 1.00 0.00 C ATOM 1807 C PRO A 118 -20.333 -3.059 -2.510 1.00 0.00 C ATOM 1808 O PRO A 118 -20.901 -3.485 -1.504 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.042 -3.764 -4.544 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.731 -5.045 -4.888 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.526 -5.987 -3.724 1.00 0.00 C ATOM 0 HA PRO A 118 -18.253 -3.127 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.562 -2.907 -4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.024 -3.745 -4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.793 -4.876 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.320 -5.469 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.464 -6.448 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.843 -6.796 -3.981 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.765 -2.012 -3.209 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.968 -1.279 -2.852 1.00 0.00 C ATOM 1821 C LEU A 119 -23.073 -2.212 -2.365 1.00 0.00 C ATOM 1822 O LEU A 119 -23.230 -3.323 -2.873 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.465 -0.475 -4.054 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.382 0.212 -4.895 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.312 0.826 -4.005 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.770 -0.761 -5.893 1.00 0.00 C ATOM 0 H LEU A 119 -20.289 -1.652 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.714 -0.603 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.033 -1.142 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.157 0.287 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.853 1.018 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.555 1.307 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.767 1.567 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.846 0.045 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.005 -0.250 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.320 -1.596 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.547 -1.134 -6.560 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.857 -1.764 -1.370 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.950 -2.557 -0.805 1.00 0.00 C ATOM 1840 C PRO A 120 -26.195 -2.549 -1.690 1.00 0.00 C ATOM 1841 O PRO A 120 -26.103 -2.685 -2.911 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.223 -1.856 0.526 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.858 -0.433 0.287 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.738 -0.443 -0.719 1.00 0.00 C ATOM 0 HA PRO A 120 -24.691 -3.611 -0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.269 -1.953 0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.627 -2.288 1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.713 0.129 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.543 0.048 1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.841 0.368 -1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.768 -0.321 -0.238 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.357 -2.389 -1.066 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.621 -2.365 -1.794 1.00 0.00 C ATOM 1854 C GLN A 121 -29.491 -1.215 -1.306 1.00 0.00 C ATOM 1855 O GLN A 121 -29.932 -1.209 -0.157 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.367 -3.689 -1.614 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.349 -3.992 -2.735 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.108 -5.285 -2.514 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.461 -5.981 -3.467 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -31.371 -5.612 -1.254 1.00 0.00 N ATOM 0 H GLN A 121 -27.450 -2.274 -0.057 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.404 -2.222 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.641 -4.500 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.906 -3.667 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -31.059 -3.169 -2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.809 -4.049 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -31.060 -5.007 -0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.884 -6.469 -1.046 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.739 -0.241 -2.177 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.560 0.898 -1.798 1.00 0.00 C ATOM 1871 C CYS A 122 -31.973 0.756 -2.352 1.00 0.00 C ATOM 1872 O CYS A 122 -32.204 0.912 -3.552 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.924 2.202 -2.282 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.327 2.584 -1.489 1.00 0.00 S ATOM 0 H CYS A 122 -29.388 -0.219 -3.135 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.622 0.925 -0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.778 2.145 -3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.616 3.023 -2.096 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.913 0.455 -1.464 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.313 0.286 -1.837 1.00 0.00 C ATOM 1881 C GLU A 123 -35.168 1.274 -1.059 1.00 0.00 C ATOM 1882 O GLU A 123 -34.920 1.549 0.115 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.775 -1.145 -1.551 1.00 0.00 C ATOM 1884 CG GLU A 123 -34.084 -2.191 -2.409 1.00 0.00 C ATOM 1885 CD GLU A 123 -34.612 -3.591 -2.161 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -34.118 -4.256 -1.226 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -35.521 -4.023 -2.901 1.00 0.00 O ATOM 0 H GLU A 123 -32.728 0.322 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.420 0.476 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.595 -1.373 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -35.851 -1.209 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -34.216 -1.938 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -33.013 -2.170 -2.209 1.00 0.00 H new ATOM 1894 N ILE A 124 -36.176 1.805 -1.742 1.00 0.00 N ATOM 1895 CA ILE A 124 -37.070 2.793 -1.156 1.00 0.00 C ATOM 1896 C ILE A 124 -37.903 2.193 -0.028 1.00 0.00 C ATOM 1897 O ILE A 124 -38.387 1.065 -0.128 1.00 0.00 O ATOM 1898 CB ILE A 124 -38.004 3.392 -2.227 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.771 4.587 -1.661 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.966 2.334 -2.743 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.608 5.313 -2.693 1.00 0.00 C ATOM 0 H ILE A 124 -36.394 1.565 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.447 3.586 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.395 3.740 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.420 4.243 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.062 5.288 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.618 2.773 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.401 1.513 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.569 1.957 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -40.124 6.149 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.962 5.687 -3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.341 4.626 -3.115 1.00 0.00 H new ATOM 1913 N LEU A 125 -38.060 2.955 1.049 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.834 2.505 2.200 1.00 0.00 C ATOM 1915 C LEU A 125 -40.315 2.389 1.849 1.00 0.00 C ATOM 1916 O LEU A 125 -40.810 1.298 1.566 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.649 3.468 3.375 1.00 0.00 C ATOM 1918 CG LEU A 125 -37.246 3.480 3.988 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -37.087 4.665 4.929 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.977 2.177 4.726 1.00 0.00 C ATOM 0 H LEU A 125 -37.661 3.888 1.149 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.470 1.519 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.891 4.477 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -39.367 3.210 4.153 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.518 3.578 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.084 4.658 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.240 5.592 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.823 4.595 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.976 2.202 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -37.711 2.052 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -37.052 1.342 4.029 1.00 0.00 H new