USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1047 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 114 THR OG1 : rot -5:sc= -0.106! USER MOD Set 1.2: A 125 THR OG1 : rot 66:sc= 0.00131 USER MOD Set 2.1: A 89 ASN : amide:sc= -1.93 K(o=-5.2,f=-2.6) USER MOD Set 2.2: A 104 HIS : no HD1:sc= -3.25! C(o=-5.2!,f=-4.9!) USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 91 THR OG1 : rot -143:sc= 0.107 USER MOD Set 3.3: A 92 HIS : no HE2:sc= -8.8! C(o=-8.7!,f=-11!) USER MOD Set 4.1: A 71 HIS : no HE2:sc= -6.71 K(o=-6.2,f=-8.7) USER MOD Set 4.2: A 90 SER OG : rot 143:sc= 0.925 USER MOD Set 4.3: A 94 THR OG1 : rot 180:sc= -0.373 USER MOD Set 5.1: A 77 HIS : no HD1:sc= -10.4! C(o=-14!,f=-11!) USER MOD Set 5.2: A 79 HIS : no HE2:sc= -3.93! C(o=-14!,f=-11!) USER MOD Set 6.1: A 64 HIS : no HD1:sc= -0.293 K(o=-0.54,f=-2.1) USER MOD Set 6.2: A 120 SER OG : rot 170:sc= -0.244 USER MOD Set 7.1: A 9 SER OG : rot 180:sc= -0.85! USER MOD Set 7.2: A 10 SER OG : rot -59:sc= 0.0472 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0616 (180deg=-0.359) USER MOD Single : A 6 ASN : amide:sc= -2.25 X(o=-2.2,f=-2.4) USER MOD Single : A 7 SER OG : rot 180:sc= -0.736 USER MOD Single : A 16 CYS SG : rot 6:sc= 0.556 USER MOD Single : A 18 THR OG1 : rot -40:sc= 0.212 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.46! K(o=-3.5!,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= -1.78! (180deg=-2.98!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.33) USER MOD Single : A 58 CYS SG : rot 121:sc= -3.36! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -6.61! USER MOD Single : A 68 SER OG : rot 180:sc= -0.147 USER MOD Single : A 76 TYR OH : rot -30:sc= -2.54 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -107:sc= -1.24 (180deg=-3.12!) USER MOD Single : A 98 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-0.57) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.93 K(o=-1.9,f=-1.3) USER MOD Single : A 108 GLN : amide:sc= -0.858 K(o=-0.86,f=-3.5!) USER MOD Single : A 113 SER OG : rot 104:sc= -5.47! USER MOD Single : A 116 SER OG : rot 21:sc= 0.166! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.396 USER MOD Single : A 129 LYS NZ :NH3+ 161:sc= -6.71! (180deg=-7.25!) USER MOD Single : A 131 GLN : amide:sc= -0.947 X(o=-0.95,f=-1.1) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.822 -1.712 7.308 1.00 13.54 N ATOM 2 CA MET A 1 9.448 -2.060 7.630 1.00 2.24 C ATOM 3 C MET A 1 8.881 -3.052 6.613 1.00 23.21 C ATOM 4 O MET A 1 7.667 -3.144 6.441 1.00 71.24 O ATOM 5 CB MET A 1 8.590 -0.794 7.642 1.00 55.53 C ATOM 6 CG MET A 1 7.360 -0.973 8.535 1.00 40.24 C ATOM 7 SD MET A 1 6.097 0.203 8.078 1.00 3.31 S ATOM 8 CE MET A 1 5.854 1.021 9.646 1.00 34.32 C ATOM 0 H1 MET A 1 11.117 -0.896 7.881 1.00 13.54 H new ATOM 0 H2 MET A 1 11.442 -2.521 7.513 1.00 13.54 H new ATOM 0 H3 MET A 1 10.891 -1.470 6.299 1.00 13.54 H new ATOM 0 HA MET A 1 9.433 -2.529 8.614 1.00 2.24 H new ATOM 0 HB2 MET A 1 9.183 0.048 7.999 1.00 55.53 H new ATOM 0 HB3 MET A 1 8.275 -0.555 6.626 1.00 55.53 H new ATOM 0 HG2 MET A 1 6.975 -1.988 8.439 1.00 40.24 H new ATOM 0 HG3 MET A 1 7.636 -0.835 9.580 1.00 40.24 H new ATOM 0 HE1 MET A 1 5.091 1.792 9.540 1.00 34.32 H new ATOM 0 HE2 MET A 1 5.533 0.293 10.390 1.00 34.32 H new ATOM 0 HE3 MET A 1 6.790 1.478 9.967 1.00 34.32 H new ATOM 18 N ALA A 2 9.788 -3.770 5.966 1.00 14.10 N ATOM 19 CA ALA A 2 9.393 -4.752 4.970 1.00 21.15 C ATOM 20 C ALA A 2 10.581 -5.666 4.663 1.00 1.03 C ATOM 21 O ALA A 2 11.687 -5.438 5.152 1.00 33.30 O ATOM 22 CB ALA A 2 8.872 -4.035 3.724 1.00 52.52 C ATOM 0 H ALA A 2 10.794 -3.691 6.112 1.00 14.10 H new ATOM 0 HA ALA A 2 8.584 -5.378 5.348 1.00 21.15 H new ATOM 0 HB1 ALA A 2 8.576 -4.772 2.977 1.00 52.52 H new ATOM 0 HB2 ALA A 2 8.011 -3.422 3.990 1.00 52.52 H new ATOM 0 HB3 ALA A 2 9.657 -3.399 3.315 1.00 52.52 H new ATOM 28 N ALA A 3 10.312 -6.681 3.855 1.00 5.11 N ATOM 29 CA ALA A 3 11.346 -7.630 3.477 1.00 74.21 C ATOM 30 C ALA A 3 11.549 -7.579 1.961 1.00 3.34 C ATOM 31 O ALA A 3 12.160 -8.476 1.383 1.00 70.03 O ATOM 32 CB ALA A 3 10.959 -9.027 3.966 1.00 21.41 C ATOM 0 H ALA A 3 9.394 -6.867 3.452 1.00 5.11 H new ATOM 0 HA ALA A 3 12.295 -7.371 3.946 1.00 74.21 H new ATOM 0 HB1 ALA A 3 11.734 -9.739 3.683 1.00 21.41 H new ATOM 0 HB2 ALA A 3 10.854 -9.017 5.051 1.00 21.41 H new ATOM 0 HB3 ALA A 3 10.012 -9.322 3.513 1.00 21.41 H new ATOM 38 N ALA A 4 11.026 -6.519 1.362 1.00 62.32 N ATOM 39 CA ALA A 4 11.143 -6.339 -0.075 1.00 60.03 C ATOM 40 C ALA A 4 10.860 -7.669 -0.776 1.00 60.15 C ATOM 41 O ALA A 4 11.646 -8.115 -1.611 1.00 4.32 O ATOM 42 CB ALA A 4 12.530 -5.787 -0.410 1.00 23.34 C ATOM 0 H ALA A 4 10.521 -5.777 1.845 1.00 62.32 H new ATOM 0 HA ALA A 4 10.410 -5.616 -0.432 1.00 60.03 H new ATOM 0 HB1 ALA A 4 12.617 -5.652 -1.488 1.00 23.34 H new ATOM 0 HB2 ALA A 4 12.670 -4.828 0.088 1.00 23.34 H new ATOM 0 HB3 ALA A 4 13.292 -6.487 -0.069 1.00 23.34 H new ATOM 48 N VAL A 5 9.735 -8.266 -0.412 1.00 13.10 N ATOM 49 CA VAL A 5 9.338 -9.536 -0.996 1.00 22.14 C ATOM 50 C VAL A 5 8.153 -9.312 -1.937 1.00 20.01 C ATOM 51 O VAL A 5 7.005 -9.279 -1.498 1.00 15.02 O ATOM 52 CB VAL A 5 9.040 -10.550 0.111 1.00 55.12 C ATOM 53 CG1 VAL A 5 8.119 -11.661 -0.398 1.00 14.13 C ATOM 54 CG2 VAL A 5 10.333 -11.130 0.686 1.00 31.14 C ATOM 0 H VAL A 5 9.085 -7.894 0.281 1.00 13.10 H new ATOM 0 HA VAL A 5 10.150 -9.954 -1.591 1.00 22.14 H new ATOM 0 HB VAL A 5 8.522 -10.027 0.915 1.00 55.12 H new ATOM 0 HG11 VAL A 5 7.923 -12.368 0.408 1.00 14.13 H new ATOM 0 HG12 VAL A 5 7.178 -11.227 -0.737 1.00 14.13 H new ATOM 0 HG13 VAL A 5 8.599 -12.180 -1.228 1.00 14.13 H new ATOM 0 HG21 VAL A 5 10.093 -11.848 1.471 1.00 31.14 H new ATOM 0 HG22 VAL A 5 10.891 -11.631 -0.105 1.00 31.14 H new ATOM 0 HG23 VAL A 5 10.939 -10.326 1.103 1.00 31.14 H new ATOM 64 N ASN A 6 8.473 -9.164 -3.214 1.00 54.12 N ATOM 65 CA ASN A 6 7.449 -8.944 -4.221 1.00 54.13 C ATOM 66 C ASN A 6 8.004 -9.316 -5.597 1.00 44.13 C ATOM 67 O ASN A 6 9.119 -9.824 -5.704 1.00 24.44 O ATOM 68 CB ASN A 6 7.025 -7.474 -4.264 1.00 71.40 C ATOM 69 CG ASN A 6 6.445 -7.032 -2.919 1.00 43.41 C ATOM 70 OD1 ASN A 6 7.107 -6.413 -2.102 1.00 42.10 O ATOM 71 ND2 ASN A 6 5.175 -7.382 -2.736 1.00 4.33 N ATOM 0 H ASN A 6 9.427 -9.192 -3.574 1.00 54.12 H new ATOM 0 HA ASN A 6 6.587 -9.561 -3.965 1.00 54.13 H new ATOM 0 HB2 ASN A 6 7.883 -6.851 -4.516 1.00 71.40 H new ATOM 0 HB3 ASN A 6 6.284 -7.328 -5.050 1.00 71.40 H new ATOM 0 HD21 ASN A 6 4.697 -7.132 -1.870 1.00 4.33 H new ATOM 0 HD22 ASN A 6 4.679 -7.900 -3.461 1.00 4.33 H new ATOM 78 N SER A 7 7.202 -9.048 -6.617 1.00 14.24 N ATOM 79 CA SER A 7 7.599 -9.348 -7.982 1.00 23.04 C ATOM 80 C SER A 7 7.187 -8.204 -8.910 1.00 43.02 C ATOM 81 O SER A 7 6.482 -7.286 -8.495 1.00 0.21 O ATOM 82 CB SER A 7 6.984 -10.666 -8.457 1.00 40.43 C ATOM 83 OG SER A 7 6.896 -10.731 -9.878 1.00 72.21 O ATOM 0 H SER A 7 6.278 -8.626 -6.525 1.00 14.24 H new ATOM 0 HA SER A 7 8.683 -9.455 -8.008 1.00 23.04 H new ATOM 0 HB2 SER A 7 7.585 -11.499 -8.092 1.00 40.43 H new ATOM 0 HB3 SER A 7 5.989 -10.778 -8.026 1.00 40.43 H new ATOM 0 HG SER A 7 6.500 -11.587 -10.142 1.00 72.21 H new ATOM 89 N GLY A 8 7.645 -8.297 -10.150 1.00 43.30 N ATOM 90 CA GLY A 8 7.333 -7.281 -11.141 1.00 43.11 C ATOM 91 C GLY A 8 6.135 -7.698 -11.995 1.00 74.34 C ATOM 92 O GLY A 8 5.749 -8.866 -12.002 1.00 64.44 O ATOM 0 H GLY A 8 8.230 -9.060 -10.491 1.00 43.30 H new ATOM 0 HA2 GLY A 8 7.117 -6.336 -10.643 1.00 43.11 H new ATOM 0 HA3 GLY A 8 8.200 -7.114 -11.781 1.00 43.11 H new ATOM 96 N SER A 9 5.578 -6.720 -12.695 1.00 61.40 N ATOM 97 CA SER A 9 4.431 -6.972 -13.551 1.00 0.51 C ATOM 98 C SER A 9 4.900 -7.356 -14.956 1.00 3.44 C ATOM 99 O SER A 9 4.809 -8.518 -15.348 1.00 41.44 O ATOM 100 CB SER A 9 3.513 -5.749 -13.614 1.00 33.43 C ATOM 101 OG SER A 9 3.241 -5.354 -14.956 1.00 32.44 O ATOM 0 H SER A 9 5.900 -5.752 -12.687 1.00 61.40 H new ATOM 0 HA SER A 9 3.862 -7.799 -13.126 1.00 0.51 H new ATOM 0 HB2 SER A 9 2.576 -5.973 -13.105 1.00 33.43 H new ATOM 0 HB3 SER A 9 3.976 -4.920 -13.079 1.00 33.43 H new ATOM 0 HG SER A 9 2.651 -4.572 -14.953 1.00 32.44 H new ATOM 107 N SER A 10 5.392 -6.357 -15.674 1.00 24.00 N ATOM 108 CA SER A 10 5.876 -6.576 -17.027 1.00 2.44 C ATOM 109 C SER A 10 6.892 -5.494 -17.400 1.00 23.30 C ATOM 110 O SER A 10 6.815 -4.369 -16.910 1.00 54.43 O ATOM 111 CB SER A 10 4.721 -6.587 -18.030 1.00 30.34 C ATOM 112 OG SER A 10 4.039 -5.337 -18.073 1.00 42.42 O ATOM 0 H SER A 10 5.466 -5.394 -15.345 1.00 24.00 H new ATOM 0 HA SER A 10 6.362 -7.551 -17.063 1.00 2.44 H new ATOM 0 HB2 SER A 10 5.105 -6.825 -19.022 1.00 30.34 H new ATOM 0 HB3 SER A 10 4.017 -7.375 -17.763 1.00 30.34 H new ATOM 0 HG SER A 10 3.689 -5.125 -17.183 1.00 42.42 H new ATOM 118 N LEU A 11 7.822 -5.874 -18.264 1.00 61.20 N ATOM 119 CA LEU A 11 8.852 -4.951 -18.709 1.00 24.23 C ATOM 120 C LEU A 11 9.609 -4.414 -17.492 1.00 42.14 C ATOM 121 O LEU A 11 9.143 -4.541 -16.361 1.00 43.32 O ATOM 122 CB LEU A 11 8.247 -3.856 -19.589 1.00 60.23 C ATOM 123 CG LEU A 11 8.237 -4.135 -21.094 1.00 13.42 C ATOM 124 CD1 LEU A 11 9.568 -3.738 -21.734 1.00 3.51 C ATOM 125 CD2 LEU A 11 7.876 -5.594 -21.379 1.00 24.01 C ATOM 0 H LEU A 11 7.884 -6.809 -18.668 1.00 61.20 H new ATOM 0 HA LEU A 11 9.580 -5.466 -19.337 1.00 24.23 H new ATOM 0 HB2 LEU A 11 7.221 -3.682 -19.265 1.00 60.23 H new ATOM 0 HB3 LEU A 11 8.797 -2.931 -19.414 1.00 60.23 H new ATOM 0 HG LEU A 11 7.464 -3.517 -21.551 1.00 13.42 H new ATOM 0 HD11 LEU A 11 9.534 -3.947 -22.803 1.00 3.51 H new ATOM 0 HD12 LEU A 11 9.744 -2.674 -21.577 1.00 3.51 H new ATOM 0 HD13 LEU A 11 10.376 -4.310 -21.278 1.00 3.51 H new ATOM 0 HD21 LEU A 11 7.876 -5.765 -22.455 1.00 24.01 H new ATOM 0 HD22 LEU A 11 8.609 -6.249 -20.907 1.00 24.01 H new ATOM 0 HD23 LEU A 11 6.886 -5.809 -20.978 1.00 24.01 H new ATOM 137 N PRO A 12 10.795 -3.810 -17.774 1.00 14.40 N ATOM 138 CA PRO A 12 11.620 -3.252 -16.716 1.00 64.52 C ATOM 139 C PRO A 12 11.034 -1.938 -16.197 1.00 70.04 C ATOM 140 O PRO A 12 9.860 -1.647 -16.420 1.00 72.22 O ATOM 141 CB PRO A 12 12.997 -3.084 -17.339 1.00 73.01 C ATOM 142 CG PRO A 12 12.780 -3.114 -18.843 1.00 70.23 C ATOM 143 CD PRO A 12 11.378 -3.641 -19.102 1.00 31.23 C ATOM 0 HA PRO A 12 11.670 -3.896 -15.838 1.00 64.52 H new ATOM 0 HB2 PRO A 12 13.454 -2.144 -17.029 1.00 73.01 H new ATOM 0 HB3 PRO A 12 13.668 -3.884 -17.025 1.00 73.01 H new ATOM 0 HG2 PRO A 12 12.897 -2.116 -19.265 1.00 70.23 H new ATOM 0 HG3 PRO A 12 13.522 -3.752 -19.323 1.00 70.23 H new ATOM 0 HD2 PRO A 12 10.797 -2.942 -19.704 1.00 31.23 H new ATOM 0 HD3 PRO A 12 11.404 -4.585 -19.646 1.00 31.23 H new ATOM 151 N LEU A 13 11.879 -1.179 -15.515 1.00 53.32 N ATOM 152 CA LEU A 13 11.459 0.098 -14.963 1.00 12.10 C ATOM 153 C LEU A 13 12.217 1.226 -15.665 1.00 4.54 C ATOM 154 O LEU A 13 11.679 2.316 -15.856 1.00 70.45 O ATOM 155 CB LEU A 13 11.619 0.102 -13.441 1.00 42.54 C ATOM 156 CG LEU A 13 12.760 -0.752 -12.885 1.00 10.22 C ATOM 157 CD1 LEU A 13 12.501 -2.240 -13.130 1.00 41.55 C ATOM 158 CD2 LEU A 13 14.108 -0.303 -13.452 1.00 62.32 C ATOM 0 H LEU A 13 12.852 -1.424 -15.332 1.00 53.32 H new ATOM 0 HA LEU A 13 10.398 0.264 -15.149 1.00 12.10 H new ATOM 0 HB2 LEU A 13 11.769 1.131 -13.114 1.00 42.54 H new ATOM 0 HB3 LEU A 13 10.685 -0.241 -12.996 1.00 42.54 H new ATOM 0 HG LEU A 13 12.801 -0.606 -11.806 1.00 10.22 H new ATOM 0 HD11 LEU A 13 13.327 -2.825 -12.725 1.00 41.55 H new ATOM 0 HD12 LEU A 13 11.573 -2.534 -12.638 1.00 41.55 H new ATOM 0 HD13 LEU A 13 12.418 -2.423 -14.201 1.00 41.55 H new ATOM 0 HD21 LEU A 13 14.902 -0.927 -13.040 1.00 62.32 H new ATOM 0 HD22 LEU A 13 14.097 -0.400 -14.538 1.00 62.32 H new ATOM 0 HD23 LEU A 13 14.288 0.738 -13.182 1.00 62.32 H new ATOM 170 N PHE A 14 13.456 0.927 -16.028 1.00 53.03 N ATOM 171 CA PHE A 14 14.294 1.903 -16.705 1.00 33.45 C ATOM 172 C PHE A 14 15.587 1.259 -17.209 1.00 73.24 C ATOM 173 O PHE A 14 16.065 0.284 -16.632 1.00 61.54 O ATOM 174 CB PHE A 14 14.642 2.981 -15.677 1.00 45.31 C ATOM 175 CG PHE A 14 15.939 3.735 -15.982 1.00 32.12 C ATOM 176 CD1 PHE A 14 17.138 3.186 -15.652 1.00 23.42 C ATOM 177 CD2 PHE A 14 15.891 4.954 -16.583 1.00 3.14 C ATOM 178 CE1 PHE A 14 18.341 3.885 -15.935 1.00 3.04 C ATOM 179 CE2 PHE A 14 17.094 5.653 -16.865 1.00 43.54 C ATOM 180 CZ PHE A 14 18.294 5.104 -16.535 1.00 51.25 C ATOM 0 H PHE A 14 13.900 0.023 -15.866 1.00 53.03 H new ATOM 0 HA PHE A 14 13.766 2.315 -17.565 1.00 33.45 H new ATOM 0 HB2 PHE A 14 13.821 3.697 -15.624 1.00 45.31 H new ATOM 0 HB3 PHE A 14 14.725 2.518 -14.694 1.00 45.31 H new ATOM 0 HD1 PHE A 14 17.176 2.218 -15.175 1.00 23.42 H new ATOM 0 HD2 PHE A 14 14.938 5.390 -16.846 1.00 3.14 H new ATOM 0 HE1 PHE A 14 19.294 3.448 -15.674 1.00 3.04 H new ATOM 0 HE2 PHE A 14 17.056 6.621 -17.342 1.00 43.54 H new ATOM 0 HZ PHE A 14 19.209 5.636 -16.750 1.00 51.25 H new ATOM 190 N ASP A 15 16.115 1.831 -18.281 1.00 65.42 N ATOM 191 CA ASP A 15 17.344 1.325 -18.870 1.00 73.32 C ATOM 192 C ASP A 15 18.413 2.418 -18.827 1.00 40.00 C ATOM 193 O ASP A 15 18.262 3.465 -19.455 1.00 75.31 O ATOM 194 CB ASP A 15 17.131 0.929 -20.333 1.00 11.03 C ATOM 195 CG ASP A 15 18.401 0.894 -21.185 1.00 3.14 C ATOM 196 OD1 ASP A 15 18.570 1.699 -22.112 1.00 44.24 O ATOM 197 OD2 ASP A 15 19.251 -0.020 -20.859 1.00 3.14 O ATOM 0 H ASP A 15 15.715 2.639 -18.757 1.00 65.42 H new ATOM 0 HA ASP A 15 17.655 0.449 -18.301 1.00 73.32 H new ATOM 0 HB2 ASP A 15 16.664 -0.056 -20.363 1.00 11.03 H new ATOM 0 HB3 ASP A 15 16.428 1.629 -20.784 1.00 11.03 H new ATOM 203 N CYS A 16 19.470 2.138 -18.080 1.00 25.24 N ATOM 204 CA CYS A 16 20.565 3.084 -17.946 1.00 52.42 C ATOM 205 C CYS A 16 21.209 3.271 -19.321 1.00 61.42 C ATOM 206 O CYS A 16 21.368 2.309 -20.072 1.00 13.13 O ATOM 207 CB CYS A 16 21.581 2.630 -16.896 1.00 71.05 C ATOM 208 SG CYS A 16 22.637 1.302 -17.582 1.00 21.13 S ATOM 0 H CYS A 16 19.592 1.269 -17.561 1.00 25.24 H new ATOM 0 HA CYS A 16 20.181 4.041 -17.593 1.00 52.42 H new ATOM 0 HB2 CYS A 16 22.198 3.473 -16.586 1.00 71.05 H new ATOM 0 HB3 CYS A 16 21.062 2.271 -16.007 1.00 71.05 H new ATOM 0 HG CYS A 16 22.359 1.133 -18.840 1.00 21.13 H new ATOM 214 N PRO A 17 21.573 4.547 -19.618 1.00 14.24 N ATOM 215 CA PRO A 17 22.196 4.872 -20.889 1.00 62.21 C ATOM 216 C PRO A 17 23.656 4.413 -20.917 1.00 55.02 C ATOM 217 O PRO A 17 24.062 3.576 -20.113 1.00 4.01 O ATOM 218 CB PRO A 17 22.044 6.378 -21.029 1.00 21.32 C ATOM 219 CG PRO A 17 21.760 6.900 -19.630 1.00 21.53 C ATOM 220 CD PRO A 17 21.400 5.711 -18.753 1.00 42.11 C ATOM 0 HA PRO A 17 21.729 4.359 -21.730 1.00 62.21 H new ATOM 0 HB2 PRO A 17 22.950 6.826 -21.436 1.00 21.32 H new ATOM 0 HB3 PRO A 17 21.231 6.627 -21.711 1.00 21.32 H new ATOM 0 HG2 PRO A 17 22.632 7.418 -19.231 1.00 21.53 H new ATOM 0 HG3 PRO A 17 20.943 7.621 -19.650 1.00 21.53 H new ATOM 0 HD2 PRO A 17 22.047 5.654 -17.878 1.00 42.11 H new ATOM 0 HD3 PRO A 17 20.376 5.784 -18.388 1.00 42.11 H new ATOM 228 N THR A 18 24.403 4.981 -21.852 1.00 3.44 N ATOM 229 CA THR A 18 25.809 4.641 -21.995 1.00 13.40 C ATOM 230 C THR A 18 26.688 5.828 -21.595 1.00 51.02 C ATOM 231 O THR A 18 27.912 5.712 -21.552 1.00 74.21 O ATOM 232 CB THR A 18 26.037 4.173 -23.433 1.00 45.04 C ATOM 233 OG1 THR A 18 27.287 3.490 -23.382 1.00 10.15 O ATOM 234 CG2 THR A 18 26.288 5.336 -24.395 1.00 43.31 C ATOM 0 H THR A 18 24.062 5.674 -22.518 1.00 3.44 H new ATOM 0 HA THR A 18 26.090 3.829 -21.325 1.00 13.40 H new ATOM 0 HB THR A 18 25.171 3.603 -23.770 1.00 45.04 H new ATOM 0 HG1 THR A 18 27.904 3.979 -22.798 1.00 10.15 H new ATOM 0 HG21 THR A 18 26.444 4.948 -25.402 1.00 43.31 H new ATOM 0 HG22 THR A 18 25.426 6.003 -24.392 1.00 43.31 H new ATOM 0 HG23 THR A 18 27.174 5.886 -24.077 1.00 43.31 H new ATOM 242 N TRP A 19 26.029 6.943 -21.313 1.00 25.41 N ATOM 243 CA TRP A 19 26.736 8.149 -20.918 1.00 52.51 C ATOM 244 C TRP A 19 26.779 8.193 -19.389 1.00 42.23 C ATOM 245 O TRP A 19 27.368 9.103 -18.807 1.00 60.23 O ATOM 246 CB TRP A 19 26.087 9.391 -21.534 1.00 33.35 C ATOM 247 CG TRP A 19 24.564 9.302 -21.654 1.00 21.30 C ATOM 248 CD1 TRP A 19 23.846 8.724 -22.626 1.00 73.25 C ATOM 249 CD2 TRP A 19 23.596 9.833 -20.725 1.00 54.44 C ATOM 250 NE1 TRP A 19 22.491 8.844 -22.394 1.00 33.33 N ATOM 251 CE2 TRP A 19 22.334 9.540 -21.201 1.00 31.22 C ATOM 252 CE3 TRP A 19 23.780 10.539 -19.523 1.00 53.03 C ATOM 253 CZ2 TRP A 19 21.159 9.913 -20.538 1.00 13.40 C ATOM 254 CZ3 TRP A 19 22.595 10.905 -18.873 1.00 3.41 C ATOM 255 CH2 TRP A 19 21.318 10.617 -19.338 1.00 54.54 C ATOM 0 H TRP A 19 25.014 7.036 -21.350 1.00 25.41 H new ATOM 0 HA TRP A 19 27.759 8.137 -21.295 1.00 52.51 H new ATOM 0 HB2 TRP A 19 26.343 10.261 -20.929 1.00 33.35 H new ATOM 0 HB3 TRP A 19 26.510 9.556 -22.525 1.00 33.35 H new ATOM 0 HD1 TRP A 19 24.274 8.226 -23.484 1.00 73.25 H new ATOM 0 HE1 TRP A 19 21.743 8.488 -22.988 1.00 33.33 H new ATOM 0 HE3 TRP A 19 24.758 10.780 -19.132 1.00 53.03 H new ATOM 0 HZ2 TRP A 19 20.183 9.671 -20.931 1.00 13.40 H new ATOM 0 HZ3 TRP A 19 22.680 11.450 -17.944 1.00 3.41 H new ATOM 0 HH2 TRP A 19 20.452 10.935 -18.777 1.00 54.54 H new ATOM 266 N ALA A 20 26.148 7.199 -18.783 1.00 31.14 N ATOM 267 CA ALA A 20 26.107 7.112 -17.333 1.00 10.33 C ATOM 268 C ALA A 20 27.467 6.639 -16.816 1.00 31.12 C ATOM 269 O ALA A 20 28.075 5.739 -17.393 1.00 44.10 O ATOM 270 CB ALA A 20 24.967 6.184 -16.909 1.00 12.55 C ATOM 0 H ALA A 20 25.661 6.446 -19.269 1.00 31.14 H new ATOM 0 HA ALA A 20 25.910 8.091 -16.895 1.00 10.33 H new ATOM 0 HB1 ALA A 20 24.936 6.119 -15.821 1.00 12.55 H new ATOM 0 HB2 ALA A 20 24.020 6.580 -17.276 1.00 12.55 H new ATOM 0 HB3 ALA A 20 25.131 5.191 -17.328 1.00 12.55 H new ATOM 276 N GLY A 21 27.904 7.266 -15.734 1.00 11.13 N ATOM 277 CA GLY A 21 29.181 6.920 -15.133 1.00 13.35 C ATOM 278 C GLY A 21 29.122 7.047 -13.609 1.00 13.31 C ATOM 279 O GLY A 21 28.520 7.983 -13.083 1.00 64.22 O ATOM 0 H GLY A 21 27.397 8.012 -15.258 1.00 11.13 H new ATOM 0 HA2 GLY A 21 29.451 5.900 -15.406 1.00 13.35 H new ATOM 0 HA3 GLY A 21 29.961 7.572 -15.526 1.00 13.35 H new ATOM 283 N LYS A 22 29.754 6.093 -12.943 1.00 22.35 N ATOM 284 CA LYS A 22 29.781 6.086 -11.490 1.00 2.03 C ATOM 285 C LYS A 22 30.172 7.477 -10.985 1.00 32.52 C ATOM 286 O LYS A 22 31.262 7.964 -11.278 1.00 25.40 O ATOM 287 CB LYS A 22 30.690 4.968 -10.976 1.00 20.51 C ATOM 288 CG LYS A 22 29.894 3.943 -10.166 1.00 34.42 C ATOM 289 CD LYS A 22 30.525 2.553 -10.268 1.00 21.31 C ATOM 290 CE LYS A 22 31.427 2.270 -9.064 1.00 54.44 C ATOM 291 NZ LYS A 22 31.790 0.837 -9.014 1.00 71.51 N ATOM 0 H LYS A 22 30.252 5.319 -13.382 1.00 22.35 H new ATOM 0 HA LYS A 22 28.790 5.868 -11.092 1.00 2.03 H new ATOM 0 HB2 LYS A 22 31.176 4.474 -11.817 1.00 20.51 H new ATOM 0 HB3 LYS A 22 31.480 5.393 -10.356 1.00 20.51 H new ATOM 0 HG2 LYS A 22 29.854 4.252 -9.121 1.00 34.42 H new ATOM 0 HG3 LYS A 22 28.866 3.907 -10.528 1.00 34.42 H new ATOM 0 HD2 LYS A 22 29.741 1.797 -10.325 1.00 21.31 H new ATOM 0 HD3 LYS A 22 31.106 2.480 -11.187 1.00 21.31 H new ATOM 0 HE2 LYS A 22 32.330 2.878 -9.128 1.00 54.44 H new ATOM 0 HE3 LYS A 22 30.916 2.554 -8.144 1.00 54.44 H new ATOM 0 HZ1 LYS A 22 32.402 0.662 -8.191 1.00 71.51 H new ATOM 0 HZ2 LYS A 22 30.927 0.263 -8.931 1.00 71.51 H new ATOM 0 HZ3 LYS A 22 32.297 0.577 -9.884 1.00 71.51 H new ATOM 304 N PRO A 23 29.235 8.092 -10.215 1.00 2.34 N ATOM 305 CA PRO A 23 29.470 9.417 -9.666 1.00 45.12 C ATOM 306 C PRO A 23 30.448 9.358 -8.491 1.00 4.30 C ATOM 307 O PRO A 23 30.597 8.317 -7.854 1.00 21.21 O ATOM 308 CB PRO A 23 28.095 9.929 -9.270 1.00 22.44 C ATOM 309 CG PRO A 23 27.204 8.701 -9.179 1.00 71.40 C ATOM 310 CD PRO A 23 27.932 7.546 -9.847 1.00 23.32 C ATOM 0 HA PRO A 23 29.940 10.092 -10.382 1.00 45.12 H new ATOM 0 HB2 PRO A 23 28.134 10.455 -8.316 1.00 22.44 H new ATOM 0 HB3 PRO A 23 27.713 10.635 -10.008 1.00 22.44 H new ATOM 0 HG2 PRO A 23 26.986 8.464 -8.138 1.00 71.40 H new ATOM 0 HG3 PRO A 23 26.249 8.885 -9.670 1.00 71.40 H new ATOM 0 HD2 PRO A 23 28.035 6.698 -9.170 1.00 23.32 H new ATOM 0 HD3 PRO A 23 27.390 7.190 -10.723 1.00 23.32 H new ATOM 318 N PRO A 24 31.107 10.520 -8.233 1.00 31.13 N ATOM 319 CA PRO A 24 32.066 10.610 -7.145 1.00 43.43 C ATOM 320 C PRO A 24 31.356 10.671 -5.791 1.00 44.43 C ATOM 321 O PRO A 24 30.213 11.117 -5.705 1.00 42.12 O ATOM 322 CB PRO A 24 32.883 11.857 -7.444 1.00 64.32 C ATOM 323 CG PRO A 24 32.057 12.671 -8.426 1.00 41.31 C ATOM 324 CD PRO A 24 30.956 11.773 -8.966 1.00 42.22 C ATOM 0 HA PRO A 24 32.710 9.733 -7.079 1.00 43.43 H new ATOM 0 HB2 PRO A 24 33.078 12.424 -6.534 1.00 64.32 H new ATOM 0 HB3 PRO A 24 33.852 11.596 -7.870 1.00 64.32 H new ATOM 0 HG2 PRO A 24 31.630 13.544 -7.933 1.00 41.31 H new ATOM 0 HG3 PRO A 24 32.683 13.038 -9.239 1.00 41.31 H new ATOM 0 HD2 PRO A 24 29.972 12.211 -8.802 1.00 42.22 H new ATOM 0 HD3 PRO A 24 31.062 11.619 -10.040 1.00 42.22 H new ATOM 332 N PRO A 25 32.082 10.205 -4.740 1.00 45.01 N ATOM 333 CA PRO A 25 31.534 10.202 -3.394 1.00 45.54 C ATOM 334 C PRO A 25 31.523 11.614 -2.805 1.00 15.25 C ATOM 335 O PRO A 25 32.363 11.950 -1.971 1.00 71.23 O ATOM 336 CB PRO A 25 32.414 9.240 -2.613 1.00 72.34 C ATOM 337 CG PRO A 25 33.694 9.097 -3.420 1.00 62.41 C ATOM 338 CD PRO A 25 33.439 9.670 -4.805 1.00 23.25 C ATOM 0 HA PRO A 25 30.493 9.882 -3.364 1.00 45.54 H new ATOM 0 HB2 PRO A 25 32.623 9.624 -1.615 1.00 72.34 H new ATOM 0 HB3 PRO A 25 31.922 8.276 -2.487 1.00 72.34 H new ATOM 0 HG2 PRO A 25 34.513 9.626 -2.933 1.00 62.41 H new ATOM 0 HG3 PRO A 25 33.987 8.049 -3.488 1.00 62.41 H new ATOM 0 HD2 PRO A 25 34.161 10.449 -5.050 1.00 23.25 H new ATOM 0 HD3 PRO A 25 33.526 8.902 -5.574 1.00 23.25 H new ATOM 346 N GLY A 26 30.560 12.403 -3.260 1.00 4.12 N ATOM 347 CA GLY A 26 30.428 13.771 -2.787 1.00 72.24 C ATOM 348 C GLY A 26 29.180 14.435 -3.374 1.00 22.15 C ATOM 349 O GLY A 26 29.173 15.639 -3.623 1.00 51.31 O ATOM 0 H GLY A 26 29.864 12.121 -3.951 1.00 4.12 H new ATOM 0 HA2 GLY A 26 30.371 13.780 -1.699 1.00 72.24 H new ATOM 0 HA3 GLY A 26 31.313 14.343 -3.065 1.00 72.24 H new ATOM 353 N LEU A 27 28.155 13.620 -3.576 1.00 42.22 N ATOM 354 CA LEU A 27 26.905 14.114 -4.128 1.00 71.43 C ATOM 355 C LEU A 27 25.742 13.625 -3.263 1.00 20.15 C ATOM 356 O LEU A 27 25.909 12.722 -2.444 1.00 5.21 O ATOM 357 CB LEU A 27 26.780 13.725 -5.603 1.00 32.42 C ATOM 358 CG LEU A 27 27.991 14.037 -6.484 1.00 10.10 C ATOM 359 CD1 LEU A 27 28.047 13.100 -7.692 1.00 34.32 C ATOM 360 CD2 LEU A 27 28.001 15.509 -6.900 1.00 51.32 C ATOM 0 H LEU A 27 28.165 12.622 -3.367 1.00 42.22 H new ATOM 0 HA LEU A 27 26.883 15.204 -4.106 1.00 71.43 H new ATOM 0 HB2 LEU A 27 26.580 12.655 -5.660 1.00 32.42 H new ATOM 0 HB3 LEU A 27 25.911 14.234 -6.020 1.00 32.42 H new ATOM 0 HG LEU A 27 28.893 13.861 -5.898 1.00 10.10 H new ATOM 0 HD11 LEU A 27 28.917 13.344 -8.301 1.00 34.32 H new ATOM 0 HD12 LEU A 27 28.122 12.068 -7.349 1.00 34.32 H new ATOM 0 HD13 LEU A 27 27.142 13.220 -8.288 1.00 34.32 H new ATOM 0 HD21 LEU A 27 28.872 15.704 -7.526 1.00 51.32 H new ATOM 0 HD22 LEU A 27 27.094 15.735 -7.460 1.00 51.32 H new ATOM 0 HD23 LEU A 27 28.044 16.138 -6.011 1.00 51.32 H new ATOM 372 N HIS A 28 24.589 14.243 -3.473 1.00 20.31 N ATOM 373 CA HIS A 28 23.399 13.882 -2.722 1.00 34.11 C ATOM 374 C HIS A 28 22.206 14.694 -3.230 1.00 75.20 C ATOM 375 O HIS A 28 22.353 15.859 -3.596 1.00 65.34 O ATOM 376 CB HIS A 28 23.633 14.049 -1.219 1.00 51.23 C ATOM 377 CG HIS A 28 23.749 15.487 -0.772 1.00 64.12 C ATOM 378 ND1 HIS A 28 24.828 16.289 -1.102 1.00 12.43 N ATOM 379 CD2 HIS A 28 22.912 16.257 -0.020 1.00 30.02 C ATOM 380 CE1 HIS A 28 24.638 17.486 -0.566 1.00 31.03 C ATOM 381 NE2 HIS A 28 23.450 17.464 0.105 1.00 63.21 N ATOM 0 H HIS A 28 24.454 14.992 -4.153 1.00 20.31 H new ATOM 0 HA HIS A 28 23.171 12.828 -2.880 1.00 34.11 H new ATOM 0 HB2 HIS A 28 22.812 13.576 -0.679 1.00 51.23 H new ATOM 0 HB3 HIS A 28 24.544 13.518 -0.942 1.00 51.23 H new ATOM 0 HD2 HIS A 28 21.970 15.939 0.403 1.00 30.02 H new ATOM 0 HE1 HIS A 28 25.306 18.331 -0.646 1.00 31.03 H new ATOM 0 HE2 HIS A 28 23.043 18.246 0.618 1.00 63.21 H new ATOM 389 N LEU A 29 21.050 14.046 -3.236 1.00 14.42 N ATOM 390 CA LEU A 29 19.832 14.694 -3.693 1.00 34.41 C ATOM 391 C LEU A 29 19.151 15.385 -2.509 1.00 64.34 C ATOM 392 O LEU A 29 19.612 15.276 -1.374 1.00 72.40 O ATOM 393 CB LEU A 29 18.932 13.691 -4.419 1.00 44.24 C ATOM 394 CG LEU A 29 18.053 14.263 -5.533 1.00 12.52 C ATOM 395 CD1 LEU A 29 18.849 15.220 -6.423 1.00 74.55 C ATOM 396 CD2 LEU A 29 17.393 13.144 -6.340 1.00 75.10 C ATOM 0 H LEU A 29 20.931 13.080 -2.932 1.00 14.42 H new ATOM 0 HA LEU A 29 20.064 15.468 -4.424 1.00 34.41 H new ATOM 0 HB2 LEU A 29 19.562 12.910 -4.845 1.00 44.24 H new ATOM 0 HB3 LEU A 29 18.286 13.213 -3.683 1.00 44.24 H new ATOM 0 HG LEU A 29 17.253 14.842 -5.073 1.00 12.52 H new ATOM 0 HD11 LEU A 29 18.201 15.612 -7.207 1.00 74.55 H new ATOM 0 HD12 LEU A 29 19.230 16.045 -5.821 1.00 74.55 H new ATOM 0 HD13 LEU A 29 19.684 14.686 -6.877 1.00 74.55 H new ATOM 0 HD21 LEU A 29 16.774 13.578 -7.125 1.00 75.10 H new ATOM 0 HD22 LEU A 29 18.163 12.517 -6.790 1.00 75.10 H new ATOM 0 HD23 LEU A 29 16.771 12.538 -5.681 1.00 75.10 H new ATOM 408 N ASP A 30 18.066 16.081 -2.816 1.00 25.24 N ATOM 409 CA ASP A 30 17.318 16.790 -1.791 1.00 63.44 C ATOM 410 C ASP A 30 15.920 17.115 -2.321 1.00 2.34 C ATOM 411 O ASP A 30 15.674 17.038 -3.523 1.00 44.24 O ATOM 412 CB ASP A 30 18.003 18.107 -1.422 1.00 14.11 C ATOM 413 CG ASP A 30 19.529 18.042 -1.341 1.00 1.41 C ATOM 414 OD1 ASP A 30 20.215 17.847 -2.355 1.00 72.04 O ATOM 415 OD2 ASP A 30 20.020 18.205 -0.159 1.00 33.41 O ATOM 0 H ASP A 30 17.687 16.169 -3.759 1.00 25.24 H new ATOM 0 HA ASP A 30 17.265 16.152 -0.909 1.00 63.44 H new ATOM 0 HB2 ASP A 30 17.725 18.862 -2.157 1.00 14.11 H new ATOM 0 HB3 ASP A 30 17.617 18.442 -0.459 1.00 14.11 H new ATOM 421 N VAL A 31 15.041 17.472 -1.396 1.00 53.33 N ATOM 422 CA VAL A 31 13.674 17.810 -1.755 1.00 34.02 C ATOM 423 C VAL A 31 13.261 19.089 -1.024 1.00 53.44 C ATOM 424 O VAL A 31 13.723 19.352 0.085 1.00 51.02 O ATOM 425 CB VAL A 31 12.748 16.628 -1.460 1.00 21.13 C ATOM 426 CG1 VAL A 31 11.292 16.982 -1.767 1.00 33.10 C ATOM 427 CG2 VAL A 31 13.185 15.383 -2.234 1.00 60.22 C ATOM 0 H VAL A 31 15.249 17.535 -0.399 1.00 53.33 H new ATOM 0 HA VAL A 31 13.598 18.007 -2.824 1.00 34.02 H new ATOM 0 HB VAL A 31 12.820 16.403 -0.396 1.00 21.13 H new ATOM 0 HG11 VAL A 31 10.655 16.125 -1.549 1.00 33.10 H new ATOM 0 HG12 VAL A 31 10.986 17.828 -1.151 1.00 33.10 H new ATOM 0 HG13 VAL A 31 11.196 17.246 -2.820 1.00 33.10 H new ATOM 0 HG21 VAL A 31 12.510 14.558 -2.006 1.00 60.22 H new ATOM 0 HG22 VAL A 31 13.156 15.591 -3.304 1.00 60.22 H new ATOM 0 HG23 VAL A 31 14.200 15.112 -1.944 1.00 60.22 H new ATOM 437 N VAL A 32 12.395 19.852 -1.676 1.00 71.43 N ATOM 438 CA VAL A 32 11.914 21.097 -1.103 1.00 5.32 C ATOM 439 C VAL A 32 10.448 21.300 -1.490 1.00 62.10 C ATOM 440 O VAL A 32 10.083 21.144 -2.654 1.00 53.11 O ATOM 441 CB VAL A 32 12.814 22.256 -1.539 1.00 73.44 C ATOM 442 CG1 VAL A 32 12.756 23.404 -0.531 1.00 4.53 C ATOM 443 CG2 VAL A 32 14.253 21.783 -1.751 1.00 23.53 C ATOM 0 H VAL A 32 12.014 19.631 -2.596 1.00 71.43 H new ATOM 0 HA VAL A 32 11.960 21.059 -0.015 1.00 5.32 H new ATOM 0 HB VAL A 32 12.441 22.629 -2.493 1.00 73.44 H new ATOM 0 HG11 VAL A 32 13.404 24.214 -0.865 1.00 4.53 H new ATOM 0 HG12 VAL A 32 11.732 23.768 -0.452 1.00 4.53 H new ATOM 0 HG13 VAL A 32 13.091 23.050 0.444 1.00 4.53 H new ATOM 0 HG21 VAL A 32 14.871 22.626 -2.060 1.00 23.53 H new ATOM 0 HG22 VAL A 32 14.641 21.371 -0.820 1.00 23.53 H new ATOM 0 HG23 VAL A 32 14.273 21.015 -2.524 1.00 23.53 H new ATOM 453 N LYS A 33 9.648 21.644 -0.492 1.00 11.22 N ATOM 454 CA LYS A 33 8.230 21.870 -0.713 1.00 73.34 C ATOM 455 C LYS A 33 8.030 23.249 -1.344 1.00 55.05 C ATOM 456 O LYS A 33 6.920 23.597 -1.746 1.00 21.03 O ATOM 457 CB LYS A 33 7.446 21.668 0.585 1.00 32.10 C ATOM 458 CG LYS A 33 7.874 22.682 1.647 1.00 4.15 C ATOM 459 CD LYS A 33 6.868 22.728 2.799 1.00 25.55 C ATOM 460 CE LYS A 33 5.670 23.611 2.447 1.00 43.15 C ATOM 461 NZ LYS A 33 4.529 23.319 3.343 1.00 62.14 N ATOM 0 H LYS A 33 9.955 21.772 0.472 1.00 11.22 H new ATOM 0 HA LYS A 33 7.833 21.137 -1.415 1.00 73.34 H new ATOM 0 HB2 LYS A 33 6.379 21.770 0.389 1.00 32.10 H new ATOM 0 HB3 LYS A 33 7.607 20.656 0.957 1.00 32.10 H new ATOM 0 HG2 LYS A 33 8.860 22.418 2.031 1.00 4.15 H new ATOM 0 HG3 LYS A 33 7.962 23.671 1.196 1.00 4.15 H new ATOM 0 HD2 LYS A 33 6.525 21.719 3.028 1.00 25.55 H new ATOM 0 HD3 LYS A 33 7.355 23.110 3.696 1.00 25.55 H new ATOM 0 HE2 LYS A 33 5.948 24.662 2.533 1.00 43.15 H new ATOM 0 HE3 LYS A 33 5.378 23.442 1.410 1.00 43.15 H new ATOM 0 HZ1 LYS A 33 3.724 23.927 3.090 1.00 62.14 H new ATOM 0 HZ2 LYS A 33 4.254 22.321 3.241 1.00 62.14 H new ATOM 0 HZ3 LYS A 33 4.806 23.503 4.329 1.00 62.14 H new ATOM 474 N GLY A 34 9.121 23.997 -1.413 1.00 12.33 N ATOM 475 CA GLY A 34 9.079 25.331 -1.988 1.00 61.22 C ATOM 476 C GLY A 34 10.248 26.181 -1.486 1.00 52.43 C ATOM 477 O GLY A 34 11.097 26.600 -2.271 1.00 65.11 O ATOM 0 H GLY A 34 10.040 23.705 -1.080 1.00 12.33 H new ATOM 0 HA2 GLY A 34 9.114 25.264 -3.075 1.00 61.22 H new ATOM 0 HA3 GLY A 34 8.136 25.813 -1.729 1.00 61.22 H new ATOM 481 N ASP A 35 10.253 26.412 -0.182 1.00 30.34 N ATOM 482 CA ASP A 35 11.303 27.205 0.434 1.00 23.22 C ATOM 483 C ASP A 35 11.753 26.529 1.731 1.00 32.21 C ATOM 484 O ASP A 35 12.369 27.164 2.585 1.00 12.43 O ATOM 485 CB ASP A 35 10.802 28.608 0.782 1.00 60.15 C ATOM 486 CG ASP A 35 10.002 29.301 -0.323 1.00 62.25 C ATOM 487 OD1 ASP A 35 9.877 28.782 -1.443 1.00 23.13 O ATOM 488 OD2 ASP A 35 9.487 30.437 0.007 1.00 65.34 O ATOM 0 H ASP A 35 9.546 26.064 0.466 1.00 30.34 H new ATOM 0 HA ASP A 35 12.127 27.282 -0.275 1.00 23.22 H new ATOM 0 HB2 ASP A 35 10.180 28.544 1.675 1.00 60.15 H new ATOM 0 HB3 ASP A 35 11.660 29.232 1.035 1.00 60.15 H new ATOM 494 N LYS A 36 11.427 25.249 1.837 1.00 24.14 N ATOM 495 CA LYS A 36 11.790 24.480 3.016 1.00 60.13 C ATOM 496 C LYS A 36 12.237 23.080 2.588 1.00 12.44 C ATOM 497 O LYS A 36 11.515 22.386 1.874 1.00 24.43 O ATOM 498 CB LYS A 36 10.642 24.477 4.028 1.00 64.14 C ATOM 499 CG LYS A 36 10.679 23.216 4.894 1.00 54.20 C ATOM 500 CD LYS A 36 9.608 23.271 5.986 1.00 24.50 C ATOM 501 CE LYS A 36 9.075 21.871 6.301 1.00 2.51 C ATOM 502 NZ LYS A 36 9.866 21.248 7.386 1.00 73.21 N ATOM 0 H LYS A 36 10.916 24.725 1.126 1.00 24.14 H new ATOM 0 HA LYS A 36 12.634 24.942 3.528 1.00 60.13 H new ATOM 0 HB2 LYS A 36 10.709 25.361 4.663 1.00 64.14 H new ATOM 0 HB3 LYS A 36 9.689 24.534 3.502 1.00 64.14 H new ATOM 0 HG2 LYS A 36 10.522 22.337 4.269 1.00 54.20 H new ATOM 0 HG3 LYS A 36 11.664 23.112 5.350 1.00 54.20 H new ATOM 0 HD2 LYS A 36 10.026 23.717 6.889 1.00 24.50 H new ATOM 0 HD3 LYS A 36 8.788 23.913 5.664 1.00 24.50 H new ATOM 0 HE2 LYS A 36 8.027 21.932 6.595 1.00 2.51 H new ATOM 0 HE3 LYS A 36 9.119 21.249 5.407 1.00 2.51 H new ATOM 0 HZ1 LYS A 36 9.492 20.299 7.588 1.00 73.21 H new ATOM 0 HZ2 LYS A 36 10.860 21.173 7.091 1.00 73.21 H new ATOM 0 HZ3 LYS A 36 9.802 21.834 8.243 1.00 73.21 H new ATOM 515 N LEU A 37 13.424 22.708 3.043 1.00 1.35 N ATOM 516 CA LEU A 37 13.976 21.404 2.717 1.00 13.22 C ATOM 517 C LEU A 37 13.116 20.316 3.363 1.00 72.33 C ATOM 518 O LEU A 37 12.991 20.262 4.585 1.00 33.12 O ATOM 519 CB LEU A 37 15.453 21.334 3.109 1.00 30.01 C ATOM 520 CG LEU A 37 16.221 20.108 2.612 1.00 63.14 C ATOM 521 CD1 LEU A 37 15.602 18.817 3.151 1.00 70.02 C ATOM 522 CD2 LEU A 37 16.317 20.103 1.085 1.00 43.43 C ATOM 0 H LEU A 37 14.019 23.287 3.635 1.00 1.35 H new ATOM 0 HA LEU A 37 13.948 21.236 1.640 1.00 13.22 H new ATOM 0 HB2 LEU A 37 15.951 22.227 2.732 1.00 30.01 H new ATOM 0 HB3 LEU A 37 15.522 21.365 4.196 1.00 30.01 H new ATOM 0 HG LEU A 37 17.239 20.163 2.999 1.00 63.14 H new ATOM 0 HD11 LEU A 37 16.167 17.961 2.782 1.00 70.02 H new ATOM 0 HD12 LEU A 37 15.629 18.828 4.241 1.00 70.02 H new ATOM 0 HD13 LEU A 37 14.568 18.741 2.815 1.00 70.02 H new ATOM 0 HD21 LEU A 37 16.868 19.221 0.758 1.00 43.43 H new ATOM 0 HD22 LEU A 37 15.315 20.084 0.657 1.00 43.43 H new ATOM 0 HD23 LEU A 37 16.837 21.000 0.750 1.00 43.43 H new ATOM 534 N ILE A 38 12.545 19.475 2.512 1.00 24.02 N ATOM 535 CA ILE A 38 11.701 18.391 2.984 1.00 31.14 C ATOM 536 C ILE A 38 12.582 17.244 3.483 1.00 61.34 C ATOM 537 O ILE A 38 12.741 17.056 4.688 1.00 54.31 O ATOM 538 CB ILE A 38 10.706 17.975 1.899 1.00 13.31 C ATOM 539 CG1 ILE A 38 9.801 19.146 1.507 1.00 23.43 C ATOM 540 CG2 ILE A 38 9.901 16.749 2.334 1.00 15.20 C ATOM 541 CD1 ILE A 38 8.861 19.520 2.655 1.00 3.10 C ATOM 0 H ILE A 38 12.651 19.523 1.499 1.00 24.02 H new ATOM 0 HA ILE A 38 11.096 18.720 3.829 1.00 31.14 H new ATOM 0 HB ILE A 38 11.269 17.691 1.010 1.00 13.31 H new ATOM 0 HG12 ILE A 38 10.412 20.008 1.237 1.00 23.43 H new ATOM 0 HG13 ILE A 38 9.217 18.880 0.626 1.00 23.43 H new ATOM 0 HG21 ILE A 38 9.201 16.474 1.545 1.00 15.20 H new ATOM 0 HG22 ILE A 38 10.579 15.917 2.523 1.00 15.20 H new ATOM 0 HG23 ILE A 38 9.348 16.981 3.244 1.00 15.20 H new ATOM 0 HD11 ILE A 38 8.229 20.354 2.351 1.00 3.10 H new ATOM 0 HD12 ILE A 38 8.235 18.664 2.907 1.00 3.10 H new ATOM 0 HD13 ILE A 38 9.448 19.809 3.527 1.00 3.10 H new ATOM 553 N GLU A 39 13.132 16.506 2.530 1.00 63.33 N ATOM 554 CA GLU A 39 13.993 15.382 2.857 1.00 64.13 C ATOM 555 C GLU A 39 15.281 15.443 2.033 1.00 62.43 C ATOM 556 O GLU A 39 15.402 16.262 1.123 1.00 62.40 O ATOM 557 CB GLU A 39 13.266 14.053 2.641 1.00 45.13 C ATOM 558 CG GLU A 39 13.326 13.628 1.172 1.00 21.22 C ATOM 559 CD GLU A 39 12.373 12.463 0.900 1.00 74.32 C ATOM 560 OE1 GLU A 39 12.149 12.104 -0.266 1.00 51.31 O ATOM 561 OE2 GLU A 39 11.857 11.923 1.952 1.00 74.13 O ATOM 0 H GLU A 39 12.998 16.664 1.531 1.00 63.33 H new ATOM 0 HA GLU A 39 14.257 15.446 3.913 1.00 64.13 H new ATOM 0 HB2 GLU A 39 13.717 13.282 3.265 1.00 45.13 H new ATOM 0 HB3 GLU A 39 12.226 14.148 2.954 1.00 45.13 H new ATOM 0 HG2 GLU A 39 13.065 14.473 0.534 1.00 21.22 H new ATOM 0 HG3 GLU A 39 14.345 13.337 0.915 1.00 21.22 H new ATOM 569 N LYS A 40 16.211 14.565 2.381 1.00 73.01 N ATOM 570 CA LYS A 40 17.485 14.509 1.685 1.00 71.52 C ATOM 571 C LYS A 40 17.746 13.073 1.225 1.00 44.05 C ATOM 572 O LYS A 40 17.356 12.121 1.898 1.00 62.40 O ATOM 573 CB LYS A 40 18.599 15.087 2.559 1.00 23.44 C ATOM 574 CG LYS A 40 19.651 15.800 1.707 1.00 14.42 C ATOM 575 CD LYS A 40 20.837 16.249 2.562 1.00 23.04 C ATOM 576 CE LYS A 40 20.365 16.795 3.911 1.00 4.43 C ATOM 577 NZ LYS A 40 21.523 17.204 4.739 1.00 73.05 N ATOM 0 H LYS A 40 16.107 13.887 3.136 1.00 73.01 H new ATOM 0 HA LYS A 40 17.459 15.131 0.791 1.00 71.52 H new ATOM 0 HB2 LYS A 40 18.175 15.786 3.280 1.00 23.44 H new ATOM 0 HB3 LYS A 40 19.070 14.287 3.130 1.00 23.44 H new ATOM 0 HG2 LYS A 40 19.999 15.133 0.919 1.00 14.42 H new ATOM 0 HG3 LYS A 40 19.203 16.665 1.218 1.00 14.42 H new ATOM 0 HD2 LYS A 40 21.513 15.409 2.722 1.00 23.04 H new ATOM 0 HD3 LYS A 40 21.402 17.016 2.033 1.00 23.04 H new ATOM 0 HE2 LYS A 40 19.704 17.647 3.754 1.00 4.43 H new ATOM 0 HE3 LYS A 40 19.786 16.035 4.435 1.00 4.43 H new ATOM 0 HZ1 LYS A 40 21.185 17.572 5.651 1.00 73.05 H new ATOM 0 HZ2 LYS A 40 22.139 16.383 4.904 1.00 73.05 H new ATOM 0 HZ3 LYS A 40 22.059 17.945 4.244 1.00 73.05 H new ATOM 590 N LEU A 41 18.405 12.963 0.080 1.00 3.23 N ATOM 591 CA LEU A 41 18.724 11.660 -0.478 1.00 34.11 C ATOM 592 C LEU A 41 20.157 11.676 -1.014 1.00 34.43 C ATOM 593 O LEU A 41 20.769 12.736 -1.127 1.00 3.24 O ATOM 594 CB LEU A 41 17.681 11.255 -1.522 1.00 0.10 C ATOM 595 CG LEU A 41 16.251 11.732 -1.261 1.00 74.43 C ATOM 596 CD1 LEU A 41 15.436 11.754 -2.556 1.00 34.31 C ATOM 597 CD2 LEU A 41 15.580 10.886 -0.176 1.00 43.53 C ATOM 0 H LEU A 41 18.727 13.755 -0.476 1.00 3.23 H new ATOM 0 HA LEU A 41 18.682 10.893 0.296 1.00 34.11 H new ATOM 0 HB2 LEU A 41 17.999 11.637 -2.492 1.00 0.10 H new ATOM 0 HB3 LEU A 41 17.673 10.168 -1.595 1.00 0.10 H new ATOM 0 HG LEU A 41 16.295 12.756 -0.890 1.00 74.43 H new ATOM 0 HD11 LEU A 41 14.423 12.097 -2.343 1.00 34.31 H new ATOM 0 HD12 LEU A 41 15.905 12.431 -3.270 1.00 34.31 H new ATOM 0 HD13 LEU A 41 15.398 10.750 -2.979 1.00 34.31 H new ATOM 0 HD21 LEU A 41 14.565 11.246 -0.010 1.00 43.53 H new ATOM 0 HD22 LEU A 41 15.548 9.844 -0.495 1.00 43.53 H new ATOM 0 HD23 LEU A 41 16.149 10.965 0.750 1.00 43.53 H new ATOM 609 N ILE A 42 20.649 10.487 -1.330 1.00 23.04 N ATOM 610 CA ILE A 42 21.999 10.351 -1.851 1.00 32.32 C ATOM 611 C ILE A 42 21.933 9.979 -3.333 1.00 60.54 C ATOM 612 O ILE A 42 20.995 9.313 -3.769 1.00 31.10 O ATOM 613 CB ILE A 42 22.803 9.362 -1.004 1.00 0.42 C ATOM 614 CG1 ILE A 42 23.171 9.973 0.350 1.00 11.20 C ATOM 615 CG2 ILE A 42 24.035 8.866 -1.763 1.00 4.24 C ATOM 616 CD1 ILE A 42 21.923 10.465 1.087 1.00 44.34 C ATOM 0 H ILE A 42 20.138 9.610 -1.235 1.00 23.04 H new ATOM 0 HA ILE A 42 22.531 11.300 -1.783 1.00 32.32 H new ATOM 0 HB ILE A 42 22.176 8.493 -0.805 1.00 0.42 H new ATOM 0 HG12 ILE A 42 23.689 9.232 0.959 1.00 11.20 H new ATOM 0 HG13 ILE A 42 23.862 10.803 0.203 1.00 11.20 H new ATOM 0 HG21 ILE A 42 24.589 8.165 -1.139 1.00 4.24 H new ATOM 0 HG22 ILE A 42 23.721 8.367 -2.680 1.00 4.24 H new ATOM 0 HG23 ILE A 42 24.674 9.713 -2.012 1.00 4.24 H new ATOM 0 HD11 ILE A 42 22.212 10.895 2.046 1.00 44.34 H new ATOM 0 HD12 ILE A 42 21.421 11.224 0.486 1.00 44.34 H new ATOM 0 HD13 ILE A 42 21.245 9.628 1.254 1.00 44.34 H new ATOM 628 N ILE A 43 22.941 10.425 -4.068 1.00 25.51 N ATOM 629 CA ILE A 43 23.010 10.147 -5.492 1.00 60.35 C ATOM 630 C ILE A 43 24.463 9.871 -5.885 1.00 1.44 C ATOM 631 O ILE A 43 24.808 9.902 -7.065 1.00 74.40 O ATOM 632 CB ILE A 43 22.362 11.279 -6.291 1.00 54.30 C ATOM 633 CG1 ILE A 43 22.887 12.642 -5.835 1.00 52.21 C ATOM 634 CG2 ILE A 43 20.836 11.199 -6.216 1.00 75.13 C ATOM 635 CD1 ILE A 43 23.823 13.248 -6.883 1.00 73.31 C ATOM 0 H ILE A 43 23.717 10.977 -3.703 1.00 25.51 H new ATOM 0 HA ILE A 43 22.439 9.250 -5.732 1.00 60.35 H new ATOM 0 HB ILE A 43 22.640 11.160 -7.338 1.00 54.30 H new ATOM 0 HG12 ILE A 43 22.050 13.317 -5.656 1.00 52.21 H new ATOM 0 HG13 ILE A 43 23.417 12.534 -4.889 1.00 52.21 H new ATOM 0 HG21 ILE A 43 20.400 12.015 -6.792 1.00 75.13 H new ATOM 0 HG22 ILE A 43 20.501 10.246 -6.626 1.00 75.13 H new ATOM 0 HG23 ILE A 43 20.518 11.279 -5.176 1.00 75.13 H new ATOM 0 HD11 ILE A 43 24.182 14.216 -6.534 1.00 73.31 H new ATOM 0 HD12 ILE A 43 24.671 12.582 -7.042 1.00 73.31 H new ATOM 0 HD13 ILE A 43 23.283 13.378 -7.821 1.00 73.31 H new ATOM 647 N ASP A 44 25.276 9.609 -4.872 1.00 42.00 N ATOM 648 CA ASP A 44 26.684 9.329 -5.096 1.00 62.52 C ATOM 649 C ASP A 44 26.960 7.853 -4.797 1.00 53.45 C ATOM 650 O ASP A 44 27.922 7.526 -4.105 1.00 20.10 O ATOM 651 CB ASP A 44 27.567 10.171 -4.173 1.00 63.33 C ATOM 652 CG ASP A 44 27.588 9.722 -2.711 1.00 34.51 C ATOM 653 OD1 ASP A 44 26.776 8.884 -2.289 1.00 2.45 O ATOM 654 OD2 ASP A 44 28.497 10.276 -1.983 1.00 13.22 O ATOM 0 H ASP A 44 24.986 9.585 -3.894 1.00 42.00 H new ATOM 0 HA ASP A 44 26.915 9.570 -6.134 1.00 62.52 H new ATOM 0 HB2 ASP A 44 28.587 10.155 -4.557 1.00 63.33 H new ATOM 0 HB3 ASP A 44 27.227 11.206 -4.215 1.00 63.33 H new ATOM 660 N GLU A 45 26.098 7.003 -5.335 1.00 34.13 N ATOM 661 CA GLU A 45 26.236 5.570 -5.134 1.00 51.44 C ATOM 662 C GLU A 45 26.112 4.833 -6.469 1.00 43.35 C ATOM 663 O GLU A 45 26.897 3.931 -6.760 1.00 13.34 O ATOM 664 CB GLU A 45 25.206 5.056 -4.127 1.00 23.34 C ATOM 665 CG GLU A 45 25.066 6.019 -2.946 1.00 75.21 C ATOM 666 CD GLU A 45 26.239 5.871 -1.975 1.00 54.11 C ATOM 667 OE1 GLU A 45 26.100 6.185 -0.783 1.00 44.25 O ATOM 668 OE2 GLU A 45 27.324 5.410 -2.498 1.00 3.33 O ATOM 0 H GLU A 45 25.302 7.279 -5.910 1.00 34.13 H new ATOM 0 HA GLU A 45 27.226 5.374 -4.723 1.00 51.44 H new ATOM 0 HB2 GLU A 45 24.241 4.935 -4.618 1.00 23.34 H new ATOM 0 HB3 GLU A 45 25.505 4.072 -3.765 1.00 23.34 H new ATOM 0 HG2 GLU A 45 25.020 7.045 -3.312 1.00 75.21 H new ATOM 0 HG3 GLU A 45 24.130 5.825 -2.423 1.00 75.21 H new ATOM 676 N LYS A 46 25.121 5.245 -7.247 1.00 22.25 N ATOM 677 CA LYS A 46 24.885 4.635 -8.544 1.00 32.20 C ATOM 678 C LYS A 46 25.078 5.685 -9.639 1.00 53.44 C ATOM 679 O LYS A 46 25.495 6.808 -9.361 1.00 3.32 O ATOM 680 CB LYS A 46 23.513 3.958 -8.576 1.00 21.22 C ATOM 681 CG LYS A 46 22.455 4.830 -7.897 1.00 3.13 C ATOM 682 CD LYS A 46 22.231 6.127 -8.677 1.00 74.11 C ATOM 683 CE LYS A 46 22.774 7.332 -7.906 1.00 75.32 C ATOM 684 NZ LYS A 46 22.069 8.568 -8.313 1.00 75.20 N ATOM 0 H LYS A 46 24.473 5.994 -7.004 1.00 22.25 H new ATOM 0 HA LYS A 46 25.610 3.843 -8.730 1.00 32.20 H new ATOM 0 HB2 LYS A 46 23.223 3.766 -9.609 1.00 21.22 H new ATOM 0 HB3 LYS A 46 23.569 2.991 -8.075 1.00 21.22 H new ATOM 0 HG2 LYS A 46 21.517 4.279 -7.823 1.00 3.13 H new ATOM 0 HG3 LYS A 46 22.769 5.063 -6.879 1.00 3.13 H new ATOM 0 HD2 LYS A 46 22.722 6.061 -9.648 1.00 74.11 H new ATOM 0 HD3 LYS A 46 21.166 6.262 -8.867 1.00 74.11 H new ATOM 0 HE2 LYS A 46 22.650 7.172 -6.835 1.00 75.32 H new ATOM 0 HE3 LYS A 46 23.843 7.438 -8.091 1.00 75.32 H new ATOM 0 HZ1 LYS A 46 22.729 9.371 -8.281 1.00 75.20 H new ATOM 0 HZ2 LYS A 46 21.705 8.457 -9.281 1.00 75.20 H new ATOM 0 HZ3 LYS A 46 21.276 8.745 -7.664 1.00 75.20 H new ATOM 697 N LYS A 47 24.764 5.283 -10.862 1.00 43.33 N ATOM 698 CA LYS A 47 24.898 6.176 -12.001 1.00 11.11 C ATOM 699 C LYS A 47 23.516 6.437 -12.604 1.00 21.02 C ATOM 700 O LYS A 47 23.378 7.241 -13.524 1.00 63.04 O ATOM 701 CB LYS A 47 25.911 5.619 -13.003 1.00 32.50 C ATOM 702 CG LYS A 47 25.210 4.824 -14.107 1.00 33.14 C ATOM 703 CD LYS A 47 24.987 3.372 -13.680 1.00 31.44 C ATOM 704 CE LYS A 47 26.310 2.604 -13.636 1.00 13.01 C ATOM 705 NZ LYS A 47 26.544 1.902 -14.918 1.00 31.25 N ATOM 0 H LYS A 47 24.417 4.351 -11.089 1.00 43.33 H new ATOM 0 HA LYS A 47 25.296 7.140 -11.684 1.00 11.11 H new ATOM 0 HB2 LYS A 47 26.479 6.438 -13.444 1.00 32.50 H new ATOM 0 HB3 LYS A 47 26.625 4.978 -12.486 1.00 32.50 H new ATOM 0 HG2 LYS A 47 24.253 5.289 -14.343 1.00 33.14 H new ATOM 0 HG3 LYS A 47 25.810 4.851 -15.017 1.00 33.14 H new ATOM 0 HD2 LYS A 47 24.515 3.346 -12.698 1.00 31.44 H new ATOM 0 HD3 LYS A 47 24.303 2.886 -14.375 1.00 31.44 H new ATOM 0 HE2 LYS A 47 27.131 3.293 -13.437 1.00 13.01 H new ATOM 0 HE3 LYS A 47 26.292 1.884 -12.818 1.00 13.01 H new ATOM 0 HZ1 LYS A 47 27.446 1.386 -14.872 1.00 31.25 H new ATOM 0 HZ2 LYS A 47 25.769 1.231 -15.093 1.00 31.25 H new ATOM 0 HZ3 LYS A 47 26.582 2.596 -15.692 1.00 31.25 H new ATOM 718 N TYR A 48 22.528 5.742 -12.060 1.00 53.11 N ATOM 719 CA TYR A 48 21.162 5.888 -12.533 1.00 15.52 C ATOM 720 C TYR A 48 20.164 5.373 -11.494 1.00 14.44 C ATOM 721 O TYR A 48 20.253 4.227 -11.057 1.00 73.11 O ATOM 722 CB TYR A 48 21.057 5.028 -13.793 1.00 71.33 C ATOM 723 CG TYR A 48 20.433 3.651 -13.557 1.00 22.15 C ATOM 724 CD1 TYR A 48 19.095 3.546 -13.235 1.00 21.45 C ATOM 725 CD2 TYR A 48 21.208 2.514 -13.665 1.00 3.21 C ATOM 726 CE1 TYR A 48 18.508 2.250 -13.012 1.00 20.33 C ATOM 727 CE2 TYR A 48 20.621 1.218 -13.442 1.00 41.42 C ATOM 728 CZ TYR A 48 19.300 1.150 -13.127 1.00 10.14 C ATOM 729 OH TYR A 48 18.745 -0.074 -12.916 1.00 45.32 O ATOM 0 H TYR A 48 22.646 5.076 -11.296 1.00 53.11 H new ATOM 0 HA TYR A 48 20.932 6.936 -12.723 1.00 15.52 H new ATOM 0 HB2 TYR A 48 20.464 5.561 -14.536 1.00 71.33 H new ATOM 0 HB3 TYR A 48 22.053 4.896 -14.215 1.00 71.33 H new ATOM 0 HD1 TYR A 48 18.488 4.436 -13.150 1.00 21.45 H new ATOM 0 HD2 TYR A 48 22.255 2.596 -13.917 1.00 3.21 H new ATOM 0 HE1 TYR A 48 17.462 2.154 -12.759 1.00 20.33 H new ATOM 0 HE2 TYR A 48 21.216 0.321 -13.523 1.00 41.42 H new ATOM 0 HH TYR A 48 19.428 -0.767 -13.033 1.00 45.32 H new ATOM 739 N TYR A 49 19.236 6.246 -11.128 1.00 21.25 N ATOM 740 CA TYR A 49 18.222 5.894 -10.148 1.00 24.42 C ATOM 741 C TYR A 49 16.822 5.962 -10.759 1.00 74.35 C ATOM 742 O TYR A 49 16.676 6.071 -11.976 1.00 62.40 O ATOM 743 CB TYR A 49 18.331 6.937 -9.035 1.00 1.44 C ATOM 744 CG TYR A 49 19.047 6.436 -7.779 1.00 61.30 C ATOM 745 CD1 TYR A 49 18.878 5.131 -7.363 1.00 60.41 C ATOM 746 CD2 TYR A 49 19.862 7.288 -7.062 1.00 41.23 C ATOM 747 CE1 TYR A 49 19.552 4.658 -6.181 1.00 50.44 C ATOM 748 CE2 TYR A 49 20.536 6.816 -5.881 1.00 0.04 C ATOM 749 CZ TYR A 49 20.348 5.524 -5.498 1.00 53.45 C ATOM 750 OH TYR A 49 20.984 5.078 -4.382 1.00 42.44 O ATOM 0 H TYR A 49 19.165 7.196 -11.493 1.00 21.25 H new ATOM 0 HA TYR A 49 18.376 4.878 -9.785 1.00 24.42 H new ATOM 0 HB2 TYR A 49 18.861 7.809 -9.419 1.00 1.44 H new ATOM 0 HB3 TYR A 49 17.329 7.268 -8.762 1.00 1.44 H new ATOM 0 HD1 TYR A 49 18.240 4.464 -7.924 1.00 60.41 H new ATOM 0 HD2 TYR A 49 19.994 8.309 -7.387 1.00 41.23 H new ATOM 0 HE1 TYR A 49 19.428 3.639 -5.845 1.00 50.44 H new ATOM 0 HE2 TYR A 49 21.177 7.473 -5.311 1.00 0.04 H new ATOM 0 HH TYR A 49 21.518 5.804 -3.998 1.00 42.44 H new ATOM 760 N LEU A 50 15.826 5.895 -9.888 1.00 21.23 N ATOM 761 CA LEU A 50 14.442 5.948 -10.327 1.00 30.42 C ATOM 762 C LEU A 50 13.688 6.989 -9.497 1.00 74.42 C ATOM 763 O LEU A 50 14.246 7.572 -8.569 1.00 63.53 O ATOM 764 CB LEU A 50 13.813 4.554 -10.284 1.00 32.40 C ATOM 765 CG LEU A 50 14.318 3.557 -11.329 1.00 40.24 C ATOM 766 CD1 LEU A 50 15.318 2.577 -10.714 1.00 24.20 C ATOM 767 CD2 LEU A 50 13.152 2.836 -12.008 1.00 32.21 C ATOM 0 H LEU A 50 15.950 5.804 -8.880 1.00 21.23 H new ATOM 0 HA LEU A 50 14.384 6.267 -11.368 1.00 30.42 H new ATOM 0 HB2 LEU A 50 13.984 4.130 -9.294 1.00 32.40 H new ATOM 0 HB3 LEU A 50 12.735 4.660 -10.403 1.00 32.40 H new ATOM 0 HG LEU A 50 14.847 4.113 -12.103 1.00 40.24 H new ATOM 0 HD11 LEU A 50 15.661 1.880 -11.478 1.00 24.20 H new ATOM 0 HD12 LEU A 50 16.170 3.128 -10.317 1.00 24.20 H new ATOM 0 HD13 LEU A 50 14.836 2.024 -9.908 1.00 24.20 H new ATOM 0 HD21 LEU A 50 13.539 2.133 -12.746 1.00 32.21 H new ATOM 0 HD22 LEU A 50 12.574 2.294 -11.260 1.00 32.21 H new ATOM 0 HD23 LEU A 50 12.511 3.566 -12.503 1.00 32.21 H new ATOM 779 N PHE A 51 12.430 7.190 -9.861 1.00 52.34 N ATOM 780 CA PHE A 51 11.593 8.151 -9.162 1.00 61.24 C ATOM 781 C PHE A 51 10.120 7.965 -9.531 1.00 32.14 C ATOM 782 O PHE A 51 9.709 8.290 -10.643 1.00 74.45 O ATOM 783 CB PHE A 51 12.045 9.544 -9.605 1.00 64.33 C ATOM 784 CG PHE A 51 12.957 10.251 -8.600 1.00 71.22 C ATOM 785 CD1 PHE A 51 12.447 10.709 -7.425 1.00 65.14 C ATOM 786 CD2 PHE A 51 14.277 10.421 -8.882 1.00 15.23 C ATOM 787 CE1 PHE A 51 13.293 11.365 -6.493 1.00 4.15 C ATOM 788 CE2 PHE A 51 15.122 11.077 -7.949 1.00 4.51 C ATOM 789 CZ PHE A 51 14.613 11.536 -6.774 1.00 61.50 C ATOM 0 H PHE A 51 11.970 6.704 -10.631 1.00 52.34 H new ATOM 0 HA PHE A 51 11.690 8.015 -8.085 1.00 61.24 H new ATOM 0 HB2 PHE A 51 12.568 9.459 -10.558 1.00 64.33 H new ATOM 0 HB3 PHE A 51 11.164 10.162 -9.779 1.00 64.33 H new ATOM 0 HD1 PHE A 51 11.399 10.574 -7.201 1.00 65.14 H new ATOM 0 HD2 PHE A 51 14.682 10.057 -9.815 1.00 15.23 H new ATOM 0 HE1 PHE A 51 12.888 11.729 -5.560 1.00 4.15 H new ATOM 0 HE2 PHE A 51 16.170 11.212 -8.172 1.00 4.51 H new ATOM 0 HZ PHE A 51 15.256 12.036 -6.065 1.00 61.50 H new ATOM 799 N GLY A 52 9.365 7.443 -8.575 1.00 23.02 N ATOM 800 CA GLY A 52 7.946 7.210 -8.785 1.00 25.14 C ATOM 801 C GLY A 52 7.219 7.021 -7.452 1.00 12.31 C ATOM 802 O GLY A 52 6.934 7.993 -6.753 1.00 60.31 O ATOM 0 H GLY A 52 9.709 7.175 -7.653 1.00 23.02 H new ATOM 0 HA2 GLY A 52 7.511 8.052 -9.324 1.00 25.14 H new ATOM 0 HA3 GLY A 52 7.807 6.326 -9.408 1.00 25.14 H new ATOM 806 N ARG A 53 6.939 5.765 -7.140 1.00 33.52 N ATOM 807 CA ARG A 53 6.250 5.436 -5.903 1.00 53.14 C ATOM 808 C ARG A 53 6.546 3.991 -5.498 1.00 61.23 C ATOM 809 O ARG A 53 6.770 3.705 -4.323 1.00 43.40 O ATOM 810 CB ARG A 53 4.738 5.617 -6.051 1.00 13.44 C ATOM 811 CG ARG A 53 4.398 6.358 -7.345 1.00 52.53 C ATOM 812 CD ARG A 53 2.884 6.503 -7.513 1.00 11.30 C ATOM 813 NE ARG A 53 2.299 5.219 -7.959 1.00 31.03 N ATOM 814 CZ ARG A 53 0.973 4.981 -8.046 1.00 31.13 C ATOM 815 NH1 ARG A 53 0.082 5.940 -7.717 1.00 54.35 N ATOM 816 NH2 ARG A 53 0.561 3.796 -8.456 1.00 50.03 N ATOM 0 H ARG A 53 7.177 4.962 -7.722 1.00 33.52 H new ATOM 0 HA ARG A 53 6.613 6.114 -5.131 1.00 53.14 H new ATOM 0 HB2 ARG A 53 4.250 4.643 -6.047 1.00 13.44 H new ATOM 0 HB3 ARG A 53 4.349 6.172 -5.197 1.00 13.44 H new ATOM 0 HG2 ARG A 53 4.862 7.344 -7.336 1.00 52.53 H new ATOM 0 HG3 ARG A 53 4.812 5.818 -8.197 1.00 52.53 H new ATOM 0 HD2 ARG A 53 2.433 6.809 -6.569 1.00 11.30 H new ATOM 0 HD3 ARG A 53 2.664 7.285 -8.240 1.00 11.30 H new ATOM 0 HE ARG A 53 2.938 4.467 -8.217 1.00 31.03 H new ATOM 0 HH11 ARG A 53 0.409 6.853 -7.400 1.00 54.35 H new ATOM 0 HH12 ARG A 53 -0.918 5.752 -7.786 1.00 54.35 H new ATOM 0 HH21 ARG A 53 1.241 3.076 -8.701 1.00 50.03 H new ATOM 0 HH22 ARG A 53 -0.437 3.600 -8.527 1.00 50.03 H new ATOM 829 N ASN A 54 6.538 3.117 -6.494 1.00 53.13 N ATOM 830 CA ASN A 54 6.803 1.708 -6.256 1.00 51.44 C ATOM 831 C ASN A 54 8.314 1.488 -6.160 1.00 32.42 C ATOM 832 O ASN A 54 9.029 1.621 -7.151 1.00 50.55 O ATOM 833 CB ASN A 54 6.271 0.847 -7.403 1.00 65.43 C ATOM 834 CG ASN A 54 5.337 -0.246 -6.881 1.00 31.24 C ATOM 835 OD1 ASN A 54 4.191 -0.364 -7.283 1.00 1.02 O ATOM 836 ND2 ASN A 54 5.888 -1.037 -5.964 1.00 2.50 N ATOM 0 H ASN A 54 6.352 3.357 -7.468 1.00 53.13 H new ATOM 0 HA ASN A 54 6.305 1.422 -5.330 1.00 51.44 H new ATOM 0 HB2 ASN A 54 5.738 1.475 -8.117 1.00 65.43 H new ATOM 0 HB3 ASN A 54 7.105 0.393 -7.938 1.00 65.43 H new ATOM 0 HD21 ASN A 54 5.345 -1.797 -5.553 1.00 2.50 H new ATOM 0 HD22 ASN A 54 6.853 -0.884 -5.672 1.00 2.50 H new ATOM 843 N PRO A 55 8.767 1.144 -4.924 1.00 54.03 N ATOM 844 CA PRO A 55 10.179 0.903 -4.685 1.00 44.32 C ATOM 845 C PRO A 55 10.610 -0.449 -5.257 1.00 34.21 C ATOM 846 O PRO A 55 11.795 -0.680 -5.490 1.00 2.21 O ATOM 847 CB PRO A 55 10.343 0.990 -3.177 1.00 25.24 C ATOM 848 CG PRO A 55 8.950 0.813 -2.595 1.00 2.10 C ATOM 849 CD PRO A 55 7.949 0.976 -3.727 1.00 13.24 C ATOM 0 HA PRO A 55 10.820 1.630 -5.184 1.00 44.32 H new ATOM 0 HB2 PRO A 55 11.020 0.217 -2.813 1.00 25.24 H new ATOM 0 HB3 PRO A 55 10.769 1.950 -2.885 1.00 25.24 H new ATOM 0 HG2 PRO A 55 8.850 -0.170 -2.136 1.00 2.10 H new ATOM 0 HG3 PRO A 55 8.766 1.550 -1.813 1.00 2.10 H new ATOM 0 HD2 PRO A 55 7.300 0.104 -3.810 1.00 13.24 H new ATOM 0 HD3 PRO A 55 7.304 1.839 -3.564 1.00 13.24 H new ATOM 857 N ASP A 56 9.623 -1.308 -5.467 1.00 12.14 N ATOM 858 CA ASP A 56 9.884 -2.631 -6.007 1.00 23.22 C ATOM 859 C ASP A 56 10.531 -2.495 -7.387 1.00 34.41 C ATOM 860 O ASP A 56 11.092 -3.456 -7.911 1.00 21.34 O ATOM 861 CB ASP A 56 8.587 -3.426 -6.168 1.00 63.34 C ATOM 862 CG ASP A 56 8.202 -4.287 -4.963 1.00 51.15 C ATOM 863 OD1 ASP A 56 9.050 -4.967 -4.367 1.00 1.54 O ATOM 864 OD2 ASP A 56 6.955 -4.241 -4.637 1.00 74.14 O ATOM 0 H ASP A 56 8.641 -1.113 -5.273 1.00 12.14 H new ATOM 0 HA ASP A 56 10.543 -3.154 -5.314 1.00 23.22 H new ATOM 0 HB2 ASP A 56 7.774 -2.729 -6.372 1.00 63.34 H new ATOM 0 HB3 ASP A 56 8.680 -4.071 -7.042 1.00 63.34 H new ATOM 870 N LEU A 57 10.430 -1.294 -7.937 1.00 32.14 N ATOM 871 CA LEU A 57 10.998 -1.020 -9.246 1.00 34.03 C ATOM 872 C LEU A 57 11.973 0.153 -9.138 1.00 45.41 C ATOM 873 O LEU A 57 13.083 0.093 -9.665 1.00 23.20 O ATOM 874 CB LEU A 57 9.888 -0.804 -10.277 1.00 32.44 C ATOM 875 CG LEU A 57 8.501 -1.322 -9.888 1.00 3.44 C ATOM 876 CD1 LEU A 57 7.421 -0.731 -10.796 1.00 62.43 C ATOM 877 CD2 LEU A 57 8.469 -2.851 -9.878 1.00 65.21 C ATOM 0 H LEU A 57 9.963 -0.499 -7.500 1.00 32.14 H new ATOM 0 HA LEU A 57 11.569 -1.878 -9.601 1.00 34.03 H new ATOM 0 HB2 LEU A 57 9.811 0.264 -10.481 1.00 32.44 H new ATOM 0 HB3 LEU A 57 10.186 -1.285 -11.208 1.00 32.44 H new ATOM 0 HG LEU A 57 8.285 -0.990 -8.873 1.00 3.44 H new ATOM 0 HD11 LEU A 57 6.445 -1.115 -10.498 1.00 62.43 H new ATOM 0 HD12 LEU A 57 7.426 0.355 -10.708 1.00 62.43 H new ATOM 0 HD13 LEU A 57 7.621 -1.012 -11.830 1.00 62.43 H new ATOM 0 HD21 LEU A 57 7.472 -3.192 -9.598 1.00 65.21 H new ATOM 0 HD22 LEU A 57 8.716 -3.227 -10.871 1.00 65.21 H new ATOM 0 HD23 LEU A 57 9.196 -3.225 -9.157 1.00 65.21 H new ATOM 889 N CYS A 58 11.524 1.194 -8.452 1.00 43.01 N ATOM 890 CA CYS A 58 12.344 2.380 -8.269 1.00 20.34 C ATOM 891 C CYS A 58 13.088 2.248 -6.938 1.00 14.40 C ATOM 892 O CYS A 58 12.743 1.406 -6.111 1.00 22.31 O ATOM 893 CB CYS A 58 11.509 3.660 -8.332 1.00 12.12 C ATOM 894 SG CYS A 58 10.461 3.650 -9.832 1.00 12.21 S ATOM 0 H CYS A 58 10.603 1.241 -8.016 1.00 43.01 H new ATOM 0 HA CYS A 58 13.066 2.456 -9.082 1.00 20.34 H new ATOM 0 HB2 CYS A 58 10.884 3.741 -7.442 1.00 12.12 H new ATOM 0 HB3 CYS A 58 12.164 4.531 -8.342 1.00 12.12 H new ATOM 0 HG CYS A 58 9.211 3.742 -9.488 1.00 12.21 H new ATOM 900 N ASP A 59 14.094 3.094 -6.773 1.00 12.50 N ATOM 901 CA ASP A 59 14.889 3.084 -5.557 1.00 20.51 C ATOM 902 C ASP A 59 14.315 4.100 -4.568 1.00 51.22 C ATOM 903 O ASP A 59 14.410 3.914 -3.356 1.00 13.31 O ATOM 904 CB ASP A 59 16.341 3.472 -5.845 1.00 33.44 C ATOM 905 CG ASP A 59 17.381 2.795 -4.949 1.00 54.02 C ATOM 906 OD1 ASP A 59 17.845 3.377 -3.958 1.00 4.11 O ATOM 907 OD2 ASP A 59 17.717 1.603 -5.309 1.00 62.15 O ATOM 0 H ASP A 59 14.377 3.791 -7.462 1.00 12.50 H new ATOM 0 HA ASP A 59 14.860 2.076 -5.144 1.00 20.51 H new ATOM 0 HB2 ASP A 59 16.566 3.231 -6.884 1.00 33.44 H new ATOM 0 HB3 ASP A 59 16.440 4.552 -5.739 1.00 33.44 H new ATOM 913 N PHE A 60 13.732 5.153 -5.123 1.00 20.14 N ATOM 914 CA PHE A 60 13.143 6.199 -4.305 1.00 14.33 C ATOM 915 C PHE A 60 11.615 6.138 -4.353 1.00 54.14 C ATOM 916 O PHE A 60 11.044 5.172 -4.858 1.00 2.02 O ATOM 917 CB PHE A 60 13.606 7.536 -4.886 1.00 45.23 C ATOM 918 CG PHE A 60 15.001 7.965 -4.426 1.00 64.50 C ATOM 919 CD1 PHE A 60 15.837 7.057 -3.854 1.00 63.13 C ATOM 920 CD2 PHE A 60 15.405 9.253 -4.589 1.00 24.01 C ATOM 921 CE1 PHE A 60 17.132 7.454 -3.427 1.00 50.42 C ATOM 922 CE2 PHE A 60 16.700 9.650 -4.162 1.00 11.42 C ATOM 923 CZ PHE A 60 17.536 8.743 -3.590 1.00 71.21 C ATOM 0 H PHE A 60 13.655 5.304 -6.129 1.00 20.14 H new ATOM 0 HA PHE A 60 13.453 6.077 -3.267 1.00 14.33 H new ATOM 0 HB2 PHE A 60 13.598 7.470 -5.974 1.00 45.23 H new ATOM 0 HB3 PHE A 60 12.889 8.309 -4.608 1.00 45.23 H new ATOM 0 HD1 PHE A 60 15.516 6.034 -3.725 1.00 63.13 H new ATOM 0 HD2 PHE A 60 14.741 9.974 -5.043 1.00 24.01 H new ATOM 0 HE1 PHE A 60 17.796 6.733 -2.973 1.00 50.42 H new ATOM 0 HE2 PHE A 60 17.021 10.673 -4.292 1.00 11.42 H new ATOM 0 HZ PHE A 60 18.521 9.046 -3.265 1.00 71.21 H new ATOM 933 N THR A 61 10.995 7.182 -3.822 1.00 62.03 N ATOM 934 CA THR A 61 9.544 7.259 -3.799 1.00 4.11 C ATOM 935 C THR A 61 9.089 8.717 -3.713 1.00 42.21 C ATOM 936 O THR A 61 9.435 9.425 -2.768 1.00 33.50 O ATOM 937 CB THR A 61 9.044 6.397 -2.638 1.00 72.14 C ATOM 938 OG1 THR A 61 10.009 6.603 -1.611 1.00 3.41 O ATOM 939 CG2 THR A 61 9.135 4.900 -2.940 1.00 34.45 C ATOM 0 H THR A 61 11.471 7.982 -3.404 1.00 62.03 H new ATOM 0 HA THR A 61 9.112 6.870 -4.721 1.00 4.11 H new ATOM 0 HB THR A 61 8.011 6.660 -2.410 1.00 72.14 H new ATOM 0 HG1 THR A 61 9.761 6.081 -0.819 1.00 3.41 H new ATOM 0 HG21 THR A 61 8.768 4.333 -2.084 1.00 34.45 H new ATOM 0 HG22 THR A 61 8.529 4.668 -3.816 1.00 34.45 H new ATOM 0 HG23 THR A 61 10.173 4.631 -3.135 1.00 34.45 H new ATOM 947 N ILE A 62 8.321 9.124 -4.713 1.00 33.51 N ATOM 948 CA ILE A 62 7.815 10.485 -4.762 1.00 75.34 C ATOM 949 C ILE A 62 6.776 10.678 -3.656 1.00 55.42 C ATOM 950 O ILE A 62 6.634 11.775 -3.117 1.00 45.02 O ATOM 951 CB ILE A 62 7.290 10.811 -6.162 1.00 64.14 C ATOM 952 CG1 ILE A 62 8.331 10.469 -7.231 1.00 31.22 C ATOM 953 CG2 ILE A 62 6.835 12.269 -6.251 1.00 63.15 C ATOM 954 CD1 ILE A 62 7.827 10.843 -8.626 1.00 62.02 C ATOM 0 H ILE A 62 8.037 8.535 -5.496 1.00 33.51 H new ATOM 0 HA ILE A 62 8.618 11.197 -4.574 1.00 75.34 H new ATOM 0 HB ILE A 62 6.416 10.189 -6.353 1.00 64.14 H new ATOM 0 HG12 ILE A 62 9.260 10.999 -7.022 1.00 31.22 H new ATOM 0 HG13 ILE A 62 8.557 9.403 -7.196 1.00 31.22 H new ATOM 0 HG21 ILE A 62 6.467 12.474 -7.256 1.00 63.15 H new ATOM 0 HG22 ILE A 62 6.038 12.446 -5.529 1.00 63.15 H new ATOM 0 HG23 ILE A 62 7.676 12.927 -6.031 1.00 63.15 H new ATOM 0 HD11 ILE A 62 8.585 10.590 -9.367 1.00 62.02 H new ATOM 0 HD12 ILE A 62 6.911 10.293 -8.842 1.00 62.02 H new ATOM 0 HD13 ILE A 62 7.625 11.913 -8.665 1.00 62.02 H new ATOM 966 N ASP A 63 6.075 9.596 -3.351 1.00 13.34 N ATOM 967 CA ASP A 63 5.053 9.633 -2.318 1.00 52.43 C ATOM 968 C ASP A 63 3.969 10.638 -2.715 1.00 44.21 C ATOM 969 O ASP A 63 3.830 11.687 -2.087 1.00 63.32 O ATOM 970 CB ASP A 63 5.640 10.077 -0.977 1.00 65.22 C ATOM 971 CG ASP A 63 4.616 10.291 0.139 1.00 71.42 C ATOM 972 OD1 ASP A 63 4.914 10.914 1.168 1.00 14.52 O ATOM 973 OD2 ASP A 63 3.453 9.779 -0.083 1.00 71.44 O ATOM 0 H ASP A 63 6.194 8.688 -3.801 1.00 13.34 H new ATOM 0 HA ASP A 63 4.641 8.629 -2.216 1.00 52.43 H new ATOM 0 HB2 ASP A 63 6.362 9.329 -0.648 1.00 65.22 H new ATOM 0 HB3 ASP A 63 6.190 11.006 -1.128 1.00 65.22 H new ATOM 979 N HIS A 64 3.230 10.283 -3.755 1.00 73.41 N ATOM 980 CA HIS A 64 2.163 11.140 -4.243 1.00 40.11 C ATOM 981 C HIS A 64 0.994 10.280 -4.727 1.00 50.04 C ATOM 982 O HIS A 64 0.897 9.105 -4.378 1.00 61.55 O ATOM 983 CB HIS A 64 2.683 12.094 -5.320 1.00 11.50 C ATOM 984 CG HIS A 64 2.143 13.500 -5.207 1.00 52.25 C ATOM 985 ND1 HIS A 64 1.215 14.020 -6.093 1.00 34.21 N ATOM 986 CD2 HIS A 64 2.409 14.488 -4.305 1.00 61.31 C ATOM 987 CE1 HIS A 64 0.943 15.265 -5.731 1.00 35.22 C ATOM 988 NE2 HIS A 64 1.684 15.553 -4.623 1.00 2.21 N ATOM 0 H HIS A 64 3.349 9.413 -4.274 1.00 73.41 H new ATOM 0 HA HIS A 64 1.795 11.767 -3.431 1.00 40.11 H new ATOM 0 HB2 HIS A 64 3.771 12.128 -5.266 1.00 11.50 H new ATOM 0 HB3 HIS A 64 2.425 11.694 -6.301 1.00 11.50 H new ATOM 0 HD2 HIS A 64 3.094 14.416 -3.473 1.00 61.31 H new ATOM 0 HE1 HIS A 64 0.255 15.934 -6.226 1.00 35.22 H new ATOM 0 HE2 HIS A 64 1.681 16.441 -4.121 1.00 2.21 H new ATOM 996 N GLN A 65 0.135 10.900 -5.524 1.00 24.32 N ATOM 997 CA GLN A 65 -1.023 10.206 -6.060 1.00 33.34 C ATOM 998 C GLN A 65 -1.004 10.243 -7.589 1.00 61.21 C ATOM 999 O GLN A 65 -1.384 9.272 -8.242 1.00 12.21 O ATOM 1000 CB GLN A 65 -2.321 10.803 -5.513 1.00 54.11 C ATOM 1001 CG GLN A 65 -2.776 11.994 -6.359 1.00 44.32 C ATOM 1002 CD GLN A 65 -3.991 12.681 -5.732 1.00 61.51 C ATOM 1003 OE1 GLN A 65 -5.117 12.535 -6.178 1.00 51.34 O ATOM 1004 NE2 GLN A 65 -3.701 13.434 -4.675 1.00 51.12 N ATOM 0 H GLN A 65 0.218 11.875 -5.811 1.00 24.32 H new ATOM 0 HA GLN A 65 -0.978 9.165 -5.741 1.00 33.34 H new ATOM 0 HB2 GLN A 65 -3.100 10.041 -5.503 1.00 54.11 H new ATOM 0 HB3 GLN A 65 -2.173 11.121 -4.481 1.00 54.11 H new ATOM 0 HG2 GLN A 65 -1.959 12.709 -6.455 1.00 44.32 H new ATOM 0 HG3 GLN A 65 -3.024 11.656 -7.365 1.00 44.32 H new ATOM 0 HE21 GLN A 65 -2.736 13.513 -4.354 1.00 51.12 H new ATOM 0 HE22 GLN A 65 -4.444 13.933 -4.185 1.00 51.12 H new ATOM 1013 N SER A 66 -0.557 11.373 -8.116 1.00 40.22 N ATOM 1014 CA SER A 66 -0.483 11.550 -9.557 1.00 31.54 C ATOM 1015 C SER A 66 0.738 10.814 -10.112 1.00 30.51 C ATOM 1016 O SER A 66 0.678 10.232 -11.194 1.00 53.22 O ATOM 1017 CB SER A 66 -0.423 13.033 -9.928 1.00 21.45 C ATOM 1018 OG SER A 66 -1.716 13.570 -10.192 1.00 31.32 O ATOM 0 H SER A 66 -0.242 12.176 -7.571 1.00 40.22 H new ATOM 0 HA SER A 66 -1.386 11.129 -10.000 1.00 31.54 H new ATOM 0 HB2 SER A 66 0.042 13.591 -9.116 1.00 21.45 H new ATOM 0 HB3 SER A 66 0.209 13.162 -10.807 1.00 21.45 H new ATOM 0 HG SER A 66 -1.635 14.519 -10.424 1.00 31.32 H new ATOM 1024 N CYS A 67 1.818 10.863 -9.345 1.00 74.45 N ATOM 1025 CA CYS A 67 3.051 10.208 -9.747 1.00 70.32 C ATOM 1026 C CYS A 67 2.720 8.773 -10.163 1.00 32.04 C ATOM 1027 O CYS A 67 1.605 8.302 -9.945 1.00 32.54 O ATOM 1028 CB CYS A 67 4.103 10.252 -8.637 1.00 14.13 C ATOM 1029 SG CYS A 67 3.440 9.479 -7.116 1.00 61.02 S ATOM 0 H CYS A 67 1.864 11.346 -8.448 1.00 74.45 H new ATOM 0 HA CYS A 67 3.488 10.739 -10.593 1.00 70.32 H new ATOM 0 HB2 CYS A 67 5.004 9.729 -8.958 1.00 14.13 H new ATOM 0 HB3 CYS A 67 4.388 11.285 -8.436 1.00 14.13 H new ATOM 0 HG CYS A 67 4.342 9.519 -6.180 1.00 61.02 H new ATOM 1035 N SER A 68 3.709 8.119 -10.754 1.00 32.24 N ATOM 1036 CA SER A 68 3.536 6.747 -11.202 1.00 4.25 C ATOM 1037 C SER A 68 4.691 5.882 -10.693 1.00 61.32 C ATOM 1038 O SER A 68 5.734 6.401 -10.298 1.00 13.11 O ATOM 1039 CB SER A 68 3.449 6.673 -12.727 1.00 61.02 C ATOM 1040 OG SER A 68 3.328 5.331 -13.190 1.00 73.32 O ATOM 0 H SER A 68 4.633 8.513 -10.933 1.00 32.24 H new ATOM 0 HA SER A 68 2.599 6.368 -10.793 1.00 4.25 H new ATOM 0 HB2 SER A 68 2.592 7.253 -13.070 1.00 61.02 H new ATOM 0 HB3 SER A 68 4.338 7.128 -13.163 1.00 61.02 H new ATOM 0 HG SER A 68 3.273 5.326 -14.168 1.00 73.32 H new ATOM 1046 N ARG A 69 4.466 4.576 -10.720 1.00 3.31 N ATOM 1047 CA ARG A 69 5.475 3.634 -10.267 1.00 31.33 C ATOM 1048 C ARG A 69 6.873 4.136 -10.633 1.00 21.33 C ATOM 1049 O ARG A 69 7.762 4.181 -9.784 1.00 2.01 O ATOM 1050 CB ARG A 69 5.257 2.253 -10.889 1.00 23.14 C ATOM 1051 CG ARG A 69 4.127 1.504 -10.179 1.00 41.14 C ATOM 1052 CD ARG A 69 2.841 1.539 -11.008 1.00 44.51 C ATOM 1053 NE ARG A 69 1.997 0.369 -10.682 1.00 70.55 N ATOM 1054 CZ ARG A 69 0.840 0.071 -11.312 1.00 65.21 C ATOM 1055 NH1 ARG A 69 0.380 0.857 -12.308 1.00 3.50 N ATOM 1056 NH2 ARG A 69 0.166 -1.001 -10.939 1.00 63.01 N ATOM 0 H ARG A 69 3.600 4.149 -11.048 1.00 3.31 H new ATOM 0 HA ARG A 69 5.388 3.550 -9.184 1.00 31.33 H new ATOM 0 HB2 ARG A 69 5.018 2.360 -11.947 1.00 23.14 H new ATOM 0 HB3 ARG A 69 6.178 1.673 -10.827 1.00 23.14 H new ATOM 0 HG2 ARG A 69 4.424 0.470 -10.005 1.00 41.14 H new ATOM 0 HG3 ARG A 69 3.946 1.952 -9.202 1.00 41.14 H new ATOM 0 HD2 ARG A 69 2.294 2.460 -10.807 1.00 44.51 H new ATOM 0 HD3 ARG A 69 3.083 1.538 -12.071 1.00 44.51 H new ATOM 0 HE ARG A 69 2.308 -0.252 -9.935 1.00 70.55 H new ATOM 0 HH11 ARG A 69 0.907 1.683 -12.590 1.00 3.50 H new ATOM 0 HH12 ARG A 69 -0.495 0.625 -12.778 1.00 3.50 H new ATOM 0 HH21 ARG A 69 0.521 -1.590 -10.185 1.00 63.01 H new ATOM 0 HH22 ARG A 69 -0.710 -1.240 -11.404 1.00 63.01 H new ATOM 1069 N VAL A 70 7.024 4.500 -11.898 1.00 30.04 N ATOM 1070 CA VAL A 70 8.299 4.997 -12.386 1.00 70.13 C ATOM 1071 C VAL A 70 8.085 6.346 -13.075 1.00 42.15 C ATOM 1072 O VAL A 70 8.271 6.465 -14.286 1.00 13.44 O ATOM 1073 CB VAL A 70 8.951 3.956 -13.299 1.00 2.22 C ATOM 1074 CG1 VAL A 70 10.474 4.103 -13.297 1.00 41.20 C ATOM 1075 CG2 VAL A 70 8.537 2.539 -12.898 1.00 55.12 C ATOM 0 H VAL A 70 6.285 4.461 -12.600 1.00 30.04 H new ATOM 0 HA VAL A 70 8.988 5.161 -11.558 1.00 70.13 H new ATOM 0 HB VAL A 70 8.598 4.133 -14.315 1.00 2.22 H new ATOM 0 HG11 VAL A 70 10.913 3.352 -13.953 1.00 41.20 H new ATOM 0 HG12 VAL A 70 10.744 5.097 -13.652 1.00 41.20 H new ATOM 0 HG13 VAL A 70 10.852 3.965 -12.284 1.00 41.20 H new ATOM 0 HG21 VAL A 70 9.014 1.819 -13.563 1.00 55.12 H new ATOM 0 HG22 VAL A 70 8.847 2.346 -11.871 1.00 55.12 H new ATOM 0 HG23 VAL A 70 7.454 2.441 -12.974 1.00 55.12 H new ATOM 1085 N HIS A 71 7.698 7.328 -12.275 1.00 41.52 N ATOM 1086 CA HIS A 71 7.457 8.665 -12.793 1.00 22.41 C ATOM 1087 C HIS A 71 8.615 9.079 -13.704 1.00 33.43 C ATOM 1088 O HIS A 71 8.394 9.594 -14.799 1.00 23.33 O ATOM 1089 CB HIS A 71 7.218 9.655 -11.651 1.00 72.42 C ATOM 1090 CG HIS A 71 6.982 11.074 -12.109 1.00 13.23 C ATOM 1091 ND1 HIS A 71 5.925 11.843 -11.652 1.00 43.13 N ATOM 1092 CD2 HIS A 71 7.676 11.856 -12.985 1.00 24.53 C ATOM 1093 CE1 HIS A 71 5.991 13.031 -12.235 1.00 14.34 C ATOM 1094 NE2 HIS A 71 7.076 13.037 -13.060 1.00 62.14 N ATOM 0 H HIS A 71 7.545 7.225 -11.272 1.00 41.52 H new ATOM 0 HA HIS A 71 6.548 8.667 -13.395 1.00 22.41 H new ATOM 0 HB2 HIS A 71 6.357 9.323 -11.070 1.00 72.42 H new ATOM 0 HB3 HIS A 71 8.079 9.638 -10.983 1.00 72.42 H new ATOM 0 HD1 HIS A 71 5.217 11.546 -10.981 1.00 43.13 H new ATOM 0 HD2 HIS A 71 8.564 11.563 -13.526 1.00 24.53 H new ATOM 0 HE1 HIS A 71 5.305 13.851 -12.083 1.00 14.34 H new ATOM 1103 N ALA A 72 9.823 8.838 -13.217 1.00 64.44 N ATOM 1104 CA ALA A 72 11.016 9.179 -13.974 1.00 22.12 C ATOM 1105 C ALA A 72 12.214 8.421 -13.398 1.00 2.32 C ATOM 1106 O ALA A 72 12.049 7.540 -12.556 1.00 23.21 O ATOM 1107 CB ALA A 72 11.219 10.695 -13.951 1.00 2.14 C ATOM 0 H ALA A 72 10.002 8.411 -12.308 1.00 64.44 H new ATOM 0 HA ALA A 72 10.908 8.881 -15.017 1.00 22.12 H new ATOM 0 HB1 ALA A 72 12.114 10.951 -14.519 1.00 2.14 H new ATOM 0 HB2 ALA A 72 10.354 11.185 -14.397 1.00 2.14 H new ATOM 0 HB3 ALA A 72 11.335 11.031 -12.921 1.00 2.14 H new ATOM 1113 N ALA A 73 13.393 8.793 -13.875 1.00 22.54 N ATOM 1114 CA ALA A 73 14.618 8.159 -13.418 1.00 5.04 C ATOM 1115 C ALA A 73 15.787 9.130 -13.597 1.00 1.10 C ATOM 1116 O ALA A 73 15.838 9.872 -14.577 1.00 71.40 O ATOM 1117 CB ALA A 73 14.829 6.847 -14.176 1.00 52.13 C ATOM 0 H ALA A 73 13.526 9.525 -14.573 1.00 22.54 H new ATOM 0 HA ALA A 73 14.551 7.915 -12.358 1.00 5.04 H new ATOM 0 HB1 ALA A 73 15.748 6.372 -13.833 1.00 52.13 H new ATOM 0 HB2 ALA A 73 13.986 6.181 -13.992 1.00 52.13 H new ATOM 0 HB3 ALA A 73 14.904 7.052 -15.244 1.00 52.13 H new ATOM 1123 N LEU A 74 16.698 9.094 -12.635 1.00 54.21 N ATOM 1124 CA LEU A 74 17.862 9.962 -12.674 1.00 65.15 C ATOM 1125 C LEU A 74 19.022 9.222 -13.344 1.00 71.33 C ATOM 1126 O LEU A 74 19.067 7.992 -13.334 1.00 53.54 O ATOM 1127 CB LEU A 74 18.192 10.481 -11.273 1.00 74.33 C ATOM 1128 CG LEU A 74 19.383 11.436 -11.174 1.00 70.34 C ATOM 1129 CD1 LEU A 74 19.241 12.366 -9.968 1.00 41.24 C ATOM 1130 CD2 LEU A 74 20.704 10.664 -11.151 1.00 32.04 C ATOM 0 H LEU A 74 16.653 8.477 -11.824 1.00 54.21 H new ATOM 0 HA LEU A 74 17.656 10.847 -13.276 1.00 65.15 H new ATOM 0 HB2 LEU A 74 17.312 10.988 -10.878 1.00 74.33 H new ATOM 0 HB3 LEU A 74 18.384 9.625 -10.626 1.00 74.33 H new ATOM 0 HG LEU A 74 19.393 12.064 -12.065 1.00 70.34 H new ATOM 0 HD11 LEU A 74 20.101 13.034 -9.921 1.00 41.24 H new ATOM 0 HD12 LEU A 74 18.329 12.954 -10.068 1.00 41.24 H new ATOM 0 HD13 LEU A 74 19.192 11.773 -9.055 1.00 41.24 H new ATOM 0 HD21 LEU A 74 21.535 11.366 -11.080 1.00 32.04 H new ATOM 0 HD22 LEU A 74 20.720 9.995 -10.290 1.00 32.04 H new ATOM 0 HD23 LEU A 74 20.800 10.080 -12.066 1.00 32.04 H new ATOM 1142 N VAL A 75 19.931 10.001 -13.910 1.00 45.32 N ATOM 1143 CA VAL A 75 21.088 9.435 -14.584 1.00 10.15 C ATOM 1144 C VAL A 75 22.262 10.411 -14.479 1.00 31.20 C ATOM 1145 O VAL A 75 22.182 11.538 -14.965 1.00 60.10 O ATOM 1146 CB VAL A 75 20.731 9.082 -16.029 1.00 21.32 C ATOM 1147 CG1 VAL A 75 21.963 8.594 -16.794 1.00 51.11 C ATOM 1148 CG2 VAL A 75 19.608 8.044 -16.078 1.00 62.32 C ATOM 0 H VAL A 75 19.890 11.020 -13.916 1.00 45.32 H new ATOM 0 HA VAL A 75 21.394 8.506 -14.103 1.00 10.15 H new ATOM 0 HB VAL A 75 20.371 9.988 -16.517 1.00 21.32 H new ATOM 0 HG11 VAL A 75 21.682 8.350 -17.818 1.00 51.11 H new ATOM 0 HG12 VAL A 75 22.720 9.378 -16.803 1.00 51.11 H new ATOM 0 HG13 VAL A 75 22.366 7.706 -16.307 1.00 51.11 H new ATOM 0 HG21 VAL A 75 19.373 7.811 -17.117 1.00 62.32 H new ATOM 0 HG22 VAL A 75 19.928 7.137 -15.566 1.00 62.32 H new ATOM 0 HG23 VAL A 75 18.721 8.444 -15.587 1.00 62.32 H new ATOM 1158 N TYR A 76 23.325 9.942 -13.842 1.00 34.13 N ATOM 1159 CA TYR A 76 24.513 10.759 -13.667 1.00 64.01 C ATOM 1160 C TYR A 76 25.426 10.668 -14.892 1.00 54.51 C ATOM 1161 O TYR A 76 26.075 9.647 -15.113 1.00 10.41 O ATOM 1162 CB TYR A 76 25.248 10.182 -12.455 1.00 72.55 C ATOM 1163 CG TYR A 76 26.392 11.059 -11.945 1.00 41.40 C ATOM 1164 CD1 TYR A 76 26.139 12.056 -11.025 1.00 4.35 C ATOM 1165 CD2 TYR A 76 27.677 10.854 -12.405 1.00 1.41 C ATOM 1166 CE1 TYR A 76 27.217 12.882 -10.544 1.00 55.50 C ATOM 1167 CE2 TYR A 76 28.754 11.681 -11.924 1.00 61.44 C ATOM 1168 CZ TYR A 76 28.471 12.654 -11.018 1.00 33.13 C ATOM 1169 OH TYR A 76 29.488 13.434 -10.564 1.00 11.21 O ATOM 0 H TYR A 76 23.388 9.006 -13.441 1.00 34.13 H new ATOM 0 HA TYR A 76 24.242 11.806 -13.532 1.00 64.01 H new ATOM 0 HB2 TYR A 76 24.532 10.031 -11.647 1.00 72.55 H new ATOM 0 HB3 TYR A 76 25.645 9.201 -12.717 1.00 72.55 H new ATOM 0 HD1 TYR A 76 25.133 12.217 -10.666 1.00 4.35 H new ATOM 0 HD2 TYR A 76 27.875 10.074 -13.125 1.00 1.41 H new ATOM 0 HE1 TYR A 76 27.033 13.665 -9.823 1.00 55.50 H new ATOM 0 HE2 TYR A 76 29.764 11.531 -12.276 1.00 61.44 H new ATOM 0 HH TYR A 76 29.143 14.323 -10.337 1.00 11.21 H new ATOM 1179 N HIS A 77 25.446 11.750 -15.657 1.00 15.44 N ATOM 1180 CA HIS A 77 26.267 11.806 -16.854 1.00 4.04 C ATOM 1181 C HIS A 77 27.728 11.537 -16.486 1.00 70.22 C ATOM 1182 O HIS A 77 28.143 11.782 -15.354 1.00 53.15 O ATOM 1183 CB HIS A 77 26.075 13.137 -17.583 1.00 61.02 C ATOM 1184 CG HIS A 77 26.028 13.012 -19.087 1.00 63.44 C ATOM 1185 ND1 HIS A 77 27.152 12.753 -19.853 1.00 53.24 N ATOM 1186 CD2 HIS A 77 24.983 13.111 -19.958 1.00 20.31 C ATOM 1187 CE1 HIS A 77 26.787 12.702 -21.126 1.00 43.22 C ATOM 1188 NE2 HIS A 77 25.443 12.925 -21.189 1.00 20.41 N ATOM 0 H HIS A 77 24.906 12.595 -15.471 1.00 15.44 H new ATOM 0 HA HIS A 77 25.954 11.029 -17.551 1.00 4.04 H new ATOM 0 HB2 HIS A 77 25.150 13.598 -17.238 1.00 61.02 H new ATOM 0 HB3 HIS A 77 26.888 13.810 -17.310 1.00 61.02 H new ATOM 0 HD2 HIS A 77 23.955 13.308 -19.691 1.00 20.31 H new ATOM 0 HE1 HIS A 77 27.440 12.516 -21.966 1.00 43.22 H new ATOM 0 HE2 HIS A 77 24.884 12.945 -22.042 1.00 20.41 H new ATOM 1196 N LYS A 78 28.468 11.036 -17.464 1.00 60.14 N ATOM 1197 CA LYS A 78 29.874 10.731 -17.258 1.00 74.43 C ATOM 1198 C LYS A 78 30.726 11.671 -18.113 1.00 11.23 C ATOM 1199 O LYS A 78 31.736 12.195 -17.646 1.00 41.30 O ATOM 1200 CB LYS A 78 30.144 9.248 -17.520 1.00 72.41 C ATOM 1201 CG LYS A 78 30.211 8.959 -19.021 1.00 43.22 C ATOM 1202 CD LYS A 78 30.060 7.462 -19.299 1.00 51.33 C ATOM 1203 CE LYS A 78 31.400 6.739 -19.154 1.00 45.40 C ATOM 1204 NZ LYS A 78 31.243 5.294 -19.433 1.00 11.40 N ATOM 0 H LYS A 78 28.121 10.834 -18.401 1.00 60.14 H new ATOM 0 HA LYS A 78 30.153 10.904 -16.219 1.00 74.43 H new ATOM 0 HB2 LYS A 78 31.082 8.957 -17.048 1.00 72.41 H new ATOM 0 HB3 LYS A 78 29.358 8.646 -17.065 1.00 72.41 H new ATOM 0 HG2 LYS A 78 29.424 9.509 -19.536 1.00 43.22 H new ATOM 0 HG3 LYS A 78 31.161 9.313 -19.421 1.00 43.22 H new ATOM 0 HD2 LYS A 78 29.334 7.032 -18.609 1.00 51.33 H new ATOM 0 HD3 LYS A 78 29.670 7.313 -20.306 1.00 51.33 H new ATOM 0 HE2 LYS A 78 32.129 7.171 -19.840 1.00 45.40 H new ATOM 0 HE3 LYS A 78 31.789 6.880 -18.146 1.00 45.40 H new ATOM 0 HZ1 LYS A 78 32.162 4.819 -19.330 1.00 11.40 H new ATOM 0 HZ2 LYS A 78 30.563 4.883 -18.762 1.00 11.40 H new ATOM 0 HZ3 LYS A 78 30.893 5.164 -20.404 1.00 11.40 H new ATOM 1217 N HIS A 79 30.287 11.856 -19.349 1.00 42.31 N ATOM 1218 CA HIS A 79 30.997 12.725 -20.273 1.00 22.41 C ATOM 1219 C HIS A 79 30.783 14.185 -19.871 1.00 43.45 C ATOM 1220 O HIS A 79 31.476 15.076 -20.362 1.00 25.44 O ATOM 1221 CB HIS A 79 30.579 12.439 -21.717 1.00 2.13 C ATOM 1222 CG HIS A 79 30.376 10.974 -22.019 1.00 23.50 C ATOM 1223 ND1 HIS A 79 31.408 10.139 -22.413 1.00 51.52 N ATOM 1224 CD2 HIS A 79 29.252 10.203 -21.980 1.00 34.13 C ATOM 1225 CE1 HIS A 79 30.915 8.924 -22.601 1.00 12.21 C ATOM 1226 NE2 HIS A 79 29.578 8.966 -22.332 1.00 62.32 N ATOM 0 H HIS A 79 29.449 11.419 -19.733 1.00 42.31 H new ATOM 0 HA HIS A 79 32.067 12.523 -20.219 1.00 22.41 H new ATOM 0 HB2 HIS A 79 29.654 12.975 -21.929 1.00 2.13 H new ATOM 0 HB3 HIS A 79 31.339 12.836 -22.390 1.00 2.13 H new ATOM 0 HD1 HIS A 79 32.383 10.413 -22.537 1.00 51.52 H new ATOM 0 HD2 HIS A 79 28.263 10.542 -21.708 1.00 34.13 H new ATOM 0 HE1 HIS A 79 31.473 8.053 -22.912 1.00 12.21 H new ATOM 1234 N LEU A 80 29.821 14.387 -18.984 1.00 32.24 N ATOM 1235 CA LEU A 80 29.507 15.724 -18.511 1.00 12.34 C ATOM 1236 C LEU A 80 29.839 15.825 -17.020 1.00 70.44 C ATOM 1237 O LEU A 80 30.206 16.893 -16.533 1.00 72.21 O ATOM 1238 CB LEU A 80 28.057 16.084 -18.843 1.00 62.31 C ATOM 1239 CG LEU A 80 27.656 15.959 -20.314 1.00 50.43 C ATOM 1240 CD1 LEU A 80 26.197 16.371 -20.521 1.00 61.23 C ATOM 1241 CD2 LEU A 80 28.608 16.753 -21.211 1.00 41.12 C ATOM 0 H LEU A 80 29.248 13.646 -18.580 1.00 32.24 H new ATOM 0 HA LEU A 80 30.121 16.463 -19.026 1.00 12.34 H new ATOM 0 HB2 LEU A 80 27.400 15.445 -18.252 1.00 62.31 H new ATOM 0 HB3 LEU A 80 27.876 17.110 -18.523 1.00 62.31 H new ATOM 0 HG LEU A 80 27.739 14.911 -20.603 1.00 50.43 H new ATOM 0 HD11 LEU A 80 25.937 16.273 -21.575 1.00 61.23 H new ATOM 0 HD12 LEU A 80 25.549 15.727 -19.926 1.00 61.23 H new ATOM 0 HD13 LEU A 80 26.064 17.407 -20.209 1.00 61.23 H new ATOM 0 HD21 LEU A 80 28.301 16.647 -22.251 1.00 41.12 H new ATOM 0 HD22 LEU A 80 28.580 17.806 -20.930 1.00 41.12 H new ATOM 0 HD23 LEU A 80 29.622 16.372 -21.092 1.00 41.12 H new ATOM 1253 N LYS A 81 29.698 14.698 -16.338 1.00 65.53 N ATOM 1254 CA LYS A 81 29.979 14.645 -14.914 1.00 1.04 C ATOM 1255 C LYS A 81 28.862 15.361 -14.152 1.00 2.14 C ATOM 1256 O LYS A 81 29.111 15.988 -13.123 1.00 32.23 O ATOM 1257 CB LYS A 81 31.375 15.198 -14.622 1.00 4.22 C ATOM 1258 CG LYS A 81 32.412 14.603 -15.577 1.00 33.30 C ATOM 1259 CD LYS A 81 32.628 13.115 -15.293 1.00 73.22 C ATOM 1260 CE LYS A 81 33.282 12.907 -13.926 1.00 31.31 C ATOM 1261 NZ LYS A 81 32.251 12.794 -12.870 1.00 10.41 N ATOM 0 H LYS A 81 29.393 13.814 -16.746 1.00 65.53 H new ATOM 0 HA LYS A 81 29.992 13.612 -14.566 1.00 1.04 H new ATOM 0 HB2 LYS A 81 31.367 16.284 -14.719 1.00 4.22 H new ATOM 0 HB3 LYS A 81 31.652 14.971 -13.592 1.00 4.22 H new ATOM 0 HG2 LYS A 81 32.082 14.736 -16.607 1.00 33.30 H new ATOM 0 HG3 LYS A 81 33.356 15.138 -15.473 1.00 33.30 H new ATOM 0 HD2 LYS A 81 31.672 12.592 -15.326 1.00 73.22 H new ATOM 0 HD3 LYS A 81 33.256 12.680 -16.071 1.00 73.22 H new ATOM 0 HE2 LYS A 81 33.894 12.005 -13.943 1.00 31.31 H new ATOM 0 HE3 LYS A 81 33.948 13.741 -13.704 1.00 31.31 H new ATOM 0 HZ1 LYS A 81 32.243 13.662 -12.298 1.00 10.41 H new ATOM 0 HZ2 LYS A 81 31.318 12.660 -13.309 1.00 10.41 H new ATOM 0 HZ3 LYS A 81 32.467 11.980 -12.260 1.00 10.41 H new ATOM 1274 N ARG A 82 27.656 15.244 -14.686 1.00 54.30 N ATOM 1275 CA ARG A 82 26.500 15.873 -14.069 1.00 73.32 C ATOM 1276 C ARG A 82 25.376 14.851 -13.885 1.00 14.44 C ATOM 1277 O ARG A 82 25.591 13.650 -14.040 1.00 44.54 O ATOM 1278 CB ARG A 82 25.987 17.037 -14.919 1.00 0.21 C ATOM 1279 CG ARG A 82 26.978 17.381 -16.033 1.00 73.31 C ATOM 1280 CD ARG A 82 26.365 18.371 -17.026 1.00 32.33 C ATOM 1281 NE ARG A 82 27.357 19.409 -17.383 1.00 10.24 N ATOM 1282 CZ ARG A 82 27.207 20.280 -18.403 1.00 1.40 C ATOM 1283 NH1 ARG A 82 26.102 20.245 -19.177 1.00 72.14 N ATOM 1284 NH2 ARG A 82 28.157 21.167 -18.632 1.00 45.32 N ATOM 0 H ARG A 82 27.453 14.723 -15.539 1.00 54.30 H new ATOM 0 HA ARG A 82 26.810 16.257 -13.097 1.00 73.32 H new ATOM 0 HB2 ARG A 82 25.022 16.777 -15.354 1.00 0.21 H new ATOM 0 HB3 ARG A 82 25.827 17.911 -14.287 1.00 0.21 H new ATOM 0 HG2 ARG A 82 27.883 17.808 -15.601 1.00 73.31 H new ATOM 0 HG3 ARG A 82 27.273 16.471 -16.556 1.00 73.31 H new ATOM 0 HD2 ARG A 82 26.039 17.844 -17.923 1.00 32.33 H new ATOM 0 HD3 ARG A 82 25.481 18.836 -16.590 1.00 32.33 H new ATOM 0 HE ARG A 82 28.207 19.470 -16.823 1.00 10.24 H new ATOM 0 HH11 ARG A 82 25.372 19.557 -18.993 1.00 72.14 H new ATOM 0 HH12 ARG A 82 25.997 20.907 -19.946 1.00 72.14 H new ATOM 0 HH21 ARG A 82 28.989 21.187 -18.042 1.00 45.32 H new ATOM 0 HH22 ARG A 82 28.059 21.832 -19.399 1.00 45.32 H new ATOM 1297 N VAL A 83 24.200 15.366 -13.555 1.00 70.12 N ATOM 1298 CA VAL A 83 23.042 14.514 -13.348 1.00 34.43 C ATOM 1299 C VAL A 83 21.976 14.844 -14.395 1.00 3.40 C ATOM 1300 O VAL A 83 22.014 15.910 -15.008 1.00 74.14 O ATOM 1301 CB VAL A 83 22.534 14.661 -11.912 1.00 22.42 C ATOM 1302 CG1 VAL A 83 21.326 13.756 -11.662 1.00 30.10 C ATOM 1303 CG2 VAL A 83 23.650 14.376 -10.904 1.00 50.23 C ATOM 0 H VAL A 83 24.025 16.363 -13.426 1.00 70.12 H new ATOM 0 HA VAL A 83 23.312 13.466 -13.478 1.00 34.43 H new ATOM 0 HB VAL A 83 22.213 15.694 -11.774 1.00 22.42 H new ATOM 0 HG11 VAL A 83 20.985 13.880 -10.634 1.00 30.10 H new ATOM 0 HG12 VAL A 83 20.522 14.026 -12.346 1.00 30.10 H new ATOM 0 HG13 VAL A 83 21.610 12.717 -11.827 1.00 30.10 H new ATOM 0 HG21 VAL A 83 23.263 14.487 -9.891 1.00 50.23 H new ATOM 0 HG22 VAL A 83 24.015 13.358 -11.043 1.00 50.23 H new ATOM 0 HG23 VAL A 83 24.468 15.079 -11.059 1.00 50.23 H new ATOM 1313 N PHE A 84 21.052 13.911 -14.567 1.00 52.23 N ATOM 1314 CA PHE A 84 19.978 14.090 -15.530 1.00 0.32 C ATOM 1315 C PHE A 84 18.676 13.469 -15.021 1.00 30.54 C ATOM 1316 O PHE A 84 18.701 12.546 -14.207 1.00 11.41 O ATOM 1317 CB PHE A 84 20.404 13.374 -16.813 1.00 54.20 C ATOM 1318 CG PHE A 84 21.203 14.251 -17.779 1.00 51.11 C ATOM 1319 CD1 PHE A 84 22.545 14.395 -17.615 1.00 2.13 C ATOM 1320 CD2 PHE A 84 20.571 14.886 -18.802 1.00 40.41 C ATOM 1321 CE1 PHE A 84 23.287 15.209 -18.511 1.00 70.02 C ATOM 1322 CE2 PHE A 84 21.313 15.700 -19.699 1.00 12.33 C ATOM 1323 CZ PHE A 84 22.655 15.844 -19.534 1.00 42.43 C ATOM 0 H PHE A 84 21.024 13.029 -14.056 1.00 52.23 H new ATOM 0 HA PHE A 84 19.801 15.153 -15.697 1.00 0.32 H new ATOM 0 HB2 PHE A 84 21.003 12.503 -16.549 1.00 54.20 H new ATOM 0 HB3 PHE A 84 19.514 13.006 -17.324 1.00 54.20 H new ATOM 0 HD1 PHE A 84 23.047 13.890 -16.803 1.00 2.13 H new ATOM 0 HD2 PHE A 84 19.505 14.771 -18.932 1.00 40.41 H new ATOM 0 HE1 PHE A 84 24.353 15.324 -18.380 1.00 70.02 H new ATOM 0 HE2 PHE A 84 20.811 16.204 -20.512 1.00 12.33 H new ATOM 0 HZ PHE A 84 23.219 16.463 -20.216 1.00 42.43 H new ATOM 1333 N LEU A 85 17.569 13.998 -15.521 1.00 4.32 N ATOM 1334 CA LEU A 85 16.260 13.507 -15.127 1.00 30.12 C ATOM 1335 C LEU A 85 15.461 13.136 -16.378 1.00 45.22 C ATOM 1336 O LEU A 85 15.006 14.013 -17.111 1.00 10.24 O ATOM 1337 CB LEU A 85 15.555 14.523 -14.226 1.00 41.11 C ATOM 1338 CG LEU A 85 14.141 14.152 -13.775 1.00 52.33 C ATOM 1339 CD1 LEU A 85 13.953 12.634 -13.751 1.00 43.15 C ATOM 1340 CD2 LEU A 85 13.810 14.792 -12.425 1.00 63.22 C ATOM 0 H LEU A 85 17.552 14.762 -16.196 1.00 4.32 H new ATOM 0 HA LEU A 85 16.358 12.600 -14.530 1.00 30.12 H new ATOM 0 HB2 LEU A 85 16.169 14.679 -13.339 1.00 41.11 H new ATOM 0 HB3 LEU A 85 15.508 15.476 -14.753 1.00 41.11 H new ATOM 0 HG LEU A 85 13.435 14.552 -14.503 1.00 52.33 H new ATOM 0 HD11 LEU A 85 12.939 12.398 -13.427 1.00 43.15 H new ATOM 0 HD12 LEU A 85 14.118 12.231 -14.750 1.00 43.15 H new ATOM 0 HD13 LEU A 85 14.668 12.190 -13.059 1.00 43.15 H new ATOM 0 HD21 LEU A 85 12.799 14.512 -12.128 1.00 63.22 H new ATOM 0 HD22 LEU A 85 14.519 14.444 -11.674 1.00 63.22 H new ATOM 0 HD23 LEU A 85 13.876 15.877 -12.511 1.00 63.22 H new ATOM 1352 N ILE A 86 15.316 11.836 -16.585 1.00 21.42 N ATOM 1353 CA ILE A 86 14.581 11.338 -17.735 1.00 15.12 C ATOM 1354 C ILE A 86 13.111 11.150 -17.353 1.00 10.44 C ATOM 1355 O ILE A 86 12.770 10.223 -16.620 1.00 1.34 O ATOM 1356 CB ILE A 86 15.239 10.072 -18.285 1.00 64.34 C ATOM 1357 CG1 ILE A 86 16.722 10.018 -17.912 1.00 1.15 C ATOM 1358 CG2 ILE A 86 15.024 9.954 -19.796 1.00 4.04 C ATOM 1359 CD1 ILE A 86 17.494 9.101 -18.862 1.00 23.54 C ATOM 0 H ILE A 86 15.695 11.112 -15.975 1.00 21.42 H new ATOM 0 HA ILE A 86 14.610 12.063 -18.548 1.00 15.12 H new ATOM 0 HB ILE A 86 14.759 9.210 -17.823 1.00 64.34 H new ATOM 0 HG12 ILE A 86 17.146 11.022 -17.946 1.00 1.15 H new ATOM 0 HG13 ILE A 86 16.830 9.660 -16.888 1.00 1.15 H new ATOM 0 HG21 ILE A 86 15.502 9.045 -20.162 1.00 4.04 H new ATOM 0 HG22 ILE A 86 13.956 9.913 -20.009 1.00 4.04 H new ATOM 0 HG23 ILE A 86 15.461 10.819 -20.294 1.00 4.04 H new ATOM 0 HD11 ILE A 86 18.545 9.081 -18.574 1.00 23.54 H new ATOM 0 HD12 ILE A 86 17.084 8.093 -18.808 1.00 23.54 H new ATOM 0 HD13 ILE A 86 17.404 9.475 -19.882 1.00 23.54 H new ATOM 1371 N ASP A 87 12.280 12.045 -17.866 1.00 41.34 N ATOM 1372 CA ASP A 87 10.855 11.990 -17.588 1.00 70.11 C ATOM 1373 C ASP A 87 10.259 10.744 -18.247 1.00 40.41 C ATOM 1374 O ASP A 87 9.624 10.837 -19.297 1.00 24.43 O ATOM 1375 CB ASP A 87 10.135 13.215 -18.155 1.00 1.10 C ATOM 1376 CG ASP A 87 10.866 14.544 -17.955 1.00 52.42 C ATOM 1377 OD1 ASP A 87 10.334 15.619 -18.271 1.00 11.23 O ATOM 1378 OD2 ASP A 87 12.047 14.446 -17.445 1.00 54.12 O ATOM 0 H ASP A 87 12.566 12.813 -18.473 1.00 41.34 H new ATOM 0 HA ASP A 87 10.723 11.963 -16.506 1.00 70.11 H new ATOM 0 HB2 ASP A 87 9.975 13.062 -19.222 1.00 1.10 H new ATOM 0 HB3 ASP A 87 9.151 13.286 -17.692 1.00 1.10 H new ATOM 1384 N LEU A 88 10.485 9.608 -17.604 1.00 15.32 N ATOM 1385 CA LEU A 88 9.978 8.346 -18.114 1.00 72.24 C ATOM 1386 C LEU A 88 8.468 8.459 -18.336 1.00 1.32 C ATOM 1387 O LEU A 88 7.680 8.092 -17.466 1.00 2.25 O ATOM 1388 CB LEU A 88 10.379 7.194 -17.190 1.00 50.42 C ATOM 1389 CG LEU A 88 11.870 7.084 -16.864 1.00 52.40 C ATOM 1390 CD1 LEU A 88 12.173 5.785 -16.116 1.00 70.54 C ATOM 1391 CD2 LEU A 88 12.720 7.230 -18.128 1.00 12.42 C ATOM 0 H LEU A 88 11.013 9.535 -16.734 1.00 15.32 H new ATOM 0 HA LEU A 88 10.427 8.119 -19.081 1.00 72.24 H new ATOM 0 HB2 LEU A 88 9.829 7.297 -16.254 1.00 50.42 H new ATOM 0 HB3 LEU A 88 10.057 6.258 -17.648 1.00 50.42 H new ATOM 0 HG LEU A 88 12.136 7.907 -16.201 1.00 52.40 H new ATOM 0 HD11 LEU A 88 13.239 5.732 -15.896 1.00 70.54 H new ATOM 0 HD12 LEU A 88 11.609 5.762 -15.184 1.00 70.54 H new ATOM 0 HD13 LEU A 88 11.887 4.934 -16.734 1.00 70.54 H new ATOM 0 HD21 LEU A 88 13.775 7.148 -17.868 1.00 12.42 H new ATOM 0 HD22 LEU A 88 12.458 6.443 -18.835 1.00 12.42 H new ATOM 0 HD23 LEU A 88 12.533 8.203 -18.582 1.00 12.42 H new ATOM 1403 N ASN A 89 8.110 8.969 -19.505 1.00 45.31 N ATOM 1404 CA ASN A 89 6.709 9.136 -19.852 1.00 23.21 C ATOM 1405 C ASN A 89 5.923 9.534 -18.602 1.00 12.54 C ATOM 1406 O ASN A 89 4.888 8.942 -18.299 1.00 63.33 O ATOM 1407 CB ASN A 89 6.116 7.831 -20.388 1.00 12.42 C ATOM 1408 CG ASN A 89 7.164 7.029 -21.161 1.00 50.25 C ATOM 1409 OD1 ASN A 89 7.203 7.023 -22.381 1.00 35.51 O ATOM 1410 ND2 ASN A 89 8.009 6.355 -20.387 1.00 45.31 N ATOM 0 H ASN A 89 8.766 9.272 -20.224 1.00 45.31 H new ATOM 0 HA ASN A 89 6.641 9.906 -20.620 1.00 23.21 H new ATOM 0 HB2 ASN A 89 5.734 7.234 -19.560 1.00 12.42 H new ATOM 0 HB3 ASN A 89 5.270 8.052 -21.038 1.00 12.42 H new ATOM 0 HD21 ASN A 89 8.746 5.789 -20.808 1.00 45.31 H new ATOM 0 HD22 ASN A 89 7.921 6.404 -19.372 1.00 45.31 H new ATOM 1417 N SER A 90 6.443 10.536 -17.908 1.00 45.44 N ATOM 1418 CA SER A 90 5.803 11.021 -16.698 1.00 11.33 C ATOM 1419 C SER A 90 4.337 11.356 -16.979 1.00 72.04 C ATOM 1420 O SER A 90 4.019 11.950 -18.008 1.00 75.04 O ATOM 1421 CB SER A 90 6.530 12.248 -16.143 1.00 63.32 C ATOM 1422 OG SER A 90 5.663 13.084 -15.381 1.00 61.54 O ATOM 0 H SER A 90 7.301 11.025 -18.161 1.00 45.44 H new ATOM 0 HA SER A 90 5.852 10.233 -15.947 1.00 11.33 H new ATOM 0 HB2 SER A 90 7.362 11.924 -15.518 1.00 63.32 H new ATOM 0 HB3 SER A 90 6.954 12.821 -16.967 1.00 63.32 H new ATOM 0 HG SER A 90 6.151 13.447 -14.612 1.00 61.54 H new ATOM 1428 N THR A 91 3.483 10.960 -16.047 1.00 0.22 N ATOM 1429 CA THR A 91 2.058 11.211 -16.182 1.00 21.33 C ATOM 1430 C THR A 91 1.815 12.585 -16.808 1.00 43.22 C ATOM 1431 O THR A 91 1.003 12.720 -17.722 1.00 40.10 O ATOM 1432 CB THR A 91 1.417 11.050 -14.802 1.00 0.01 C ATOM 1433 OG1 THR A 91 0.341 11.984 -14.808 1.00 51.01 O ATOM 1434 CG2 THR A 91 2.327 11.538 -13.673 1.00 23.21 C ATOM 0 H THR A 91 3.750 10.467 -15.195 1.00 0.22 H new ATOM 0 HA THR A 91 1.593 10.494 -16.858 1.00 21.33 H new ATOM 0 HB THR A 91 1.166 10.002 -14.639 1.00 0.01 H new ATOM 0 HG1 THR A 91 0.254 12.389 -13.920 1.00 51.01 H new ATOM 0 HG21 THR A 91 1.824 11.401 -12.716 1.00 23.21 H new ATOM 0 HG22 THR A 91 3.255 10.966 -13.681 1.00 23.21 H new ATOM 0 HG23 THR A 91 2.551 12.595 -13.817 1.00 23.21 H new ATOM 1442 N HIS A 92 2.535 13.571 -16.292 1.00 35.32 N ATOM 1443 CA HIS A 92 2.407 14.930 -16.789 1.00 45.12 C ATOM 1444 C HIS A 92 3.726 15.368 -17.430 1.00 23.53 C ATOM 1445 O HIS A 92 3.736 15.894 -18.541 1.00 42.23 O ATOM 1446 CB HIS A 92 1.946 15.874 -15.677 1.00 44.53 C ATOM 1447 CG HIS A 92 1.113 15.206 -14.610 1.00 22.11 C ATOM 1448 ND1 HIS A 92 -0.251 15.403 -14.491 1.00 75.22 N ATOM 1449 CD2 HIS A 92 1.466 14.341 -13.616 1.00 15.13 C ATOM 1450 CE1 HIS A 92 -0.690 14.685 -13.468 1.00 31.13 C ATOM 1451 NE2 HIS A 92 0.376 14.028 -12.926 1.00 55.01 N ATOM 0 H HIS A 92 3.209 13.455 -15.535 1.00 35.32 H new ATOM 0 HA HIS A 92 1.638 14.968 -17.560 1.00 45.12 H new ATOM 0 HB2 HIS A 92 2.822 16.324 -15.210 1.00 44.53 H new ATOM 0 HB3 HIS A 92 1.368 16.685 -16.120 1.00 44.53 H new ATOM 0 HD1 HIS A 92 -0.822 16.000 -15.089 1.00 75.22 H new ATOM 0 HD2 HIS A 92 2.463 13.973 -13.423 1.00 15.13 H new ATOM 0 HE1 HIS A 92 -1.712 14.629 -13.123 1.00 31.13 H new ATOM 1459 N GLY A 93 4.807 15.133 -16.701 1.00 5.12 N ATOM 1460 CA GLY A 93 6.129 15.496 -17.184 1.00 11.23 C ATOM 1461 C GLY A 93 7.022 15.969 -16.035 1.00 31.24 C ATOM 1462 O GLY A 93 6.584 16.026 -14.887 1.00 22.45 O ATOM 0 H GLY A 93 4.795 14.696 -15.780 1.00 5.12 H new ATOM 0 HA2 GLY A 93 6.588 14.639 -17.677 1.00 11.23 H new ATOM 0 HA3 GLY A 93 6.043 16.285 -17.931 1.00 11.23 H new ATOM 1466 N THR A 94 8.257 16.296 -16.384 1.00 25.23 N ATOM 1467 CA THR A 94 9.216 16.762 -15.396 1.00 31.51 C ATOM 1468 C THR A 94 9.738 18.149 -15.773 1.00 2.34 C ATOM 1469 O THR A 94 9.697 18.536 -16.939 1.00 43.34 O ATOM 1470 CB THR A 94 10.320 15.709 -15.275 1.00 53.00 C ATOM 1471 OG1 THR A 94 9.626 14.467 -15.361 1.00 1.22 O ATOM 1472 CG2 THR A 94 10.956 15.685 -13.884 1.00 2.01 C ATOM 0 H THR A 94 8.616 16.248 -17.337 1.00 25.23 H new ATOM 0 HA THR A 94 8.751 16.879 -14.417 1.00 31.51 H new ATOM 0 HB THR A 94 11.089 15.902 -16.023 1.00 53.00 H new ATOM 0 HG1 THR A 94 10.267 13.729 -15.293 1.00 1.22 H new ATOM 0 HG21 THR A 94 11.733 14.921 -13.852 1.00 2.01 H new ATOM 0 HG22 THR A 94 11.396 16.659 -13.668 1.00 2.01 H new ATOM 0 HG23 THR A 94 10.193 15.458 -13.139 1.00 2.01 H new ATOM 1480 N PHE A 95 10.217 18.860 -14.762 1.00 41.45 N ATOM 1481 CA PHE A 95 10.747 20.197 -14.973 1.00 31.00 C ATOM 1482 C PHE A 95 12.021 20.417 -14.155 1.00 63.33 C ATOM 1483 O PHE A 95 12.283 19.688 -13.200 1.00 24.13 O ATOM 1484 CB PHE A 95 9.676 21.182 -14.501 1.00 11.14 C ATOM 1485 CG PHE A 95 8.657 21.558 -15.579 1.00 20.44 C ATOM 1486 CD1 PHE A 95 7.770 20.630 -16.028 1.00 54.21 C ATOM 1487 CD2 PHE A 95 8.639 22.819 -16.087 1.00 72.33 C ATOM 1488 CE1 PHE A 95 6.824 20.979 -17.028 1.00 61.45 C ATOM 1489 CE2 PHE A 95 7.693 23.167 -17.088 1.00 3.22 C ATOM 1490 CZ PHE A 95 6.806 22.240 -17.537 1.00 71.33 C ATOM 0 H PHE A 95 10.249 18.536 -13.795 1.00 41.45 H new ATOM 0 HA PHE A 95 10.994 20.338 -16.025 1.00 31.00 H new ATOM 0 HB2 PHE A 95 9.148 20.749 -13.652 1.00 11.14 H new ATOM 0 HB3 PHE A 95 10.163 22.089 -14.144 1.00 11.14 H new ATOM 0 HD1 PHE A 95 7.785 19.628 -15.624 1.00 54.21 H new ATOM 0 HD2 PHE A 95 9.343 23.556 -15.730 1.00 72.33 H new ATOM 0 HE1 PHE A 95 6.119 20.243 -17.384 1.00 61.45 H new ATOM 0 HE2 PHE A 95 7.679 24.168 -17.492 1.00 3.22 H new ATOM 0 HZ PHE A 95 6.087 22.505 -18.298 1.00 71.33 H new ATOM 1500 N LEU A 96 12.780 21.425 -14.561 1.00 31.53 N ATOM 1501 CA LEU A 96 14.021 21.749 -13.878 1.00 15.45 C ATOM 1502 C LEU A 96 13.916 23.154 -13.279 1.00 75.41 C ATOM 1503 O LEU A 96 14.759 24.009 -13.542 1.00 44.01 O ATOM 1504 CB LEU A 96 15.213 21.570 -14.819 1.00 23.43 C ATOM 1505 CG LEU A 96 16.589 21.875 -14.223 1.00 64.42 C ATOM 1506 CD1 LEU A 96 16.720 21.289 -12.816 1.00 31.20 C ATOM 1507 CD2 LEU A 96 17.707 21.393 -15.150 1.00 60.25 C ATOM 0 H LEU A 96 12.559 22.028 -15.354 1.00 31.53 H new ATOM 0 HA LEU A 96 14.192 21.060 -13.051 1.00 15.45 H new ATOM 0 HB2 LEU A 96 15.215 20.541 -15.179 1.00 23.43 H new ATOM 0 HB3 LEU A 96 15.065 22.212 -15.687 1.00 23.43 H new ATOM 0 HG LEU A 96 16.689 22.957 -14.132 1.00 64.42 H new ATOM 0 HD11 LEU A 96 17.707 21.520 -12.416 1.00 31.20 H new ATOM 0 HD12 LEU A 96 15.956 21.721 -12.169 1.00 31.20 H new ATOM 0 HD13 LEU A 96 16.590 20.208 -12.859 1.00 31.20 H new ATOM 0 HD21 LEU A 96 18.674 21.622 -14.703 1.00 60.25 H new ATOM 0 HD22 LEU A 96 17.620 20.316 -15.295 1.00 60.25 H new ATOM 0 HD23 LEU A 96 17.624 21.897 -16.113 1.00 60.25 H new ATOM 1519 N GLY A 97 12.872 23.347 -12.485 1.00 45.44 N ATOM 1520 CA GLY A 97 12.646 24.633 -11.847 1.00 42.25 C ATOM 1521 C GLY A 97 11.719 25.509 -12.693 1.00 3.22 C ATOM 1522 O GLY A 97 10.612 25.837 -12.269 1.00 70.31 O ATOM 0 H GLY A 97 12.174 22.635 -12.269 1.00 45.44 H new ATOM 0 HA2 GLY A 97 12.209 24.482 -10.860 1.00 42.25 H new ATOM 0 HA3 GLY A 97 13.598 25.142 -11.699 1.00 42.25 H new ATOM 1526 N HIS A 98 12.206 25.864 -13.873 1.00 22.41 N ATOM 1527 CA HIS A 98 11.435 26.695 -14.781 1.00 43.25 C ATOM 1528 C HIS A 98 11.530 26.130 -16.200 1.00 44.11 C ATOM 1529 O HIS A 98 11.123 26.782 -17.161 1.00 24.05 O ATOM 1530 CB HIS A 98 11.883 28.155 -14.694 1.00 2.54 C ATOM 1531 CG HIS A 98 12.938 28.536 -15.705 1.00 51.22 C ATOM 1532 ND1 HIS A 98 14.286 28.591 -15.398 1.00 2.21 N ATOM 1533 CD2 HIS A 98 12.828 28.879 -17.021 1.00 24.01 C ATOM 1534 CE1 HIS A 98 14.949 28.953 -16.487 1.00 31.33 C ATOM 1535 NE2 HIS A 98 14.044 29.131 -17.491 1.00 54.13 N ATOM 0 H HIS A 98 13.125 25.591 -14.221 1.00 22.41 H new ATOM 0 HA HIS A 98 10.385 26.679 -14.490 1.00 43.25 H new ATOM 0 HB2 HIS A 98 11.014 28.799 -14.830 1.00 2.54 H new ATOM 0 HB3 HIS A 98 12.268 28.347 -13.693 1.00 2.54 H new ATOM 0 HD2 HIS A 98 11.908 28.936 -17.584 1.00 24.01 H new ATOM 0 HE1 HIS A 98 16.018 29.084 -16.565 1.00 31.33 H new ATOM 0 HE2 HIS A 98 14.265 29.412 -18.446 1.00 54.13 H new ATOM 1543 N ILE A 99 12.070 24.923 -16.287 1.00 3.31 N ATOM 1544 CA ILE A 99 12.224 24.263 -17.572 1.00 60.10 C ATOM 1545 C ILE A 99 11.435 22.952 -17.565 1.00 14.33 C ATOM 1546 O ILE A 99 11.118 22.420 -16.502 1.00 22.11 O ATOM 1547 CB ILE A 99 13.706 24.086 -17.910 1.00 12.32 C ATOM 1548 CG1 ILE A 99 14.486 25.376 -17.646 1.00 32.14 C ATOM 1549 CG2 ILE A 99 13.886 23.592 -19.346 1.00 75.25 C ATOM 1550 CD1 ILE A 99 15.992 25.108 -17.610 1.00 52.32 C ATOM 0 H ILE A 99 12.406 24.385 -15.488 1.00 3.31 H new ATOM 0 HA ILE A 99 11.810 24.881 -18.369 1.00 60.10 H new ATOM 0 HB ILE A 99 14.117 23.320 -17.252 1.00 12.32 H new ATOM 0 HG12 ILE A 99 14.261 26.107 -18.423 1.00 32.14 H new ATOM 0 HG13 ILE A 99 14.167 25.810 -16.698 1.00 32.14 H new ATOM 0 HG21 ILE A 99 14.948 23.475 -19.560 1.00 75.25 H new ATOM 0 HG22 ILE A 99 13.384 22.632 -19.466 1.00 75.25 H new ATOM 0 HG23 ILE A 99 13.455 24.316 -20.037 1.00 75.25 H new ATOM 0 HD11 ILE A 99 16.523 26.041 -17.421 1.00 52.32 H new ATOM 0 HD12 ILE A 99 16.216 24.396 -16.816 1.00 52.32 H new ATOM 0 HD13 ILE A 99 16.311 24.696 -18.567 1.00 52.32 H new ATOM 1562 N ARG A 100 11.139 22.470 -18.763 1.00 21.02 N ATOM 1563 CA ARG A 100 10.393 21.232 -18.908 1.00 34.21 C ATOM 1564 C ARG A 100 11.192 20.224 -19.736 1.00 21.21 C ATOM 1565 O ARG A 100 11.918 20.605 -20.653 1.00 2.34 O ATOM 1566 CB ARG A 100 9.042 21.479 -19.583 1.00 20.20 C ATOM 1567 CG ARG A 100 9.194 21.547 -21.104 1.00 13.10 C ATOM 1568 CD ARG A 100 8.910 20.187 -21.745 1.00 14.11 C ATOM 1569 NE ARG A 100 7.558 19.720 -21.363 1.00 2.02 N ATOM 1570 CZ ARG A 100 6.435 20.002 -22.057 1.00 44.22 C ATOM 1571 NH1 ARG A 100 6.493 20.753 -23.177 1.00 42.44 N ATOM 1572 NH2 ARG A 100 5.280 19.533 -21.624 1.00 62.43 N ATOM 0 H ARG A 100 11.402 22.915 -19.642 1.00 21.02 H new ATOM 0 HA ARG A 100 10.220 20.831 -17.909 1.00 34.21 H new ATOM 0 HB2 ARG A 100 8.348 20.681 -19.319 1.00 20.20 H new ATOM 0 HB3 ARG A 100 8.612 22.411 -19.215 1.00 20.20 H new ATOM 0 HG2 ARG A 100 8.510 22.293 -21.508 1.00 13.10 H new ATOM 0 HG3 ARG A 100 10.204 21.869 -21.358 1.00 13.10 H new ATOM 0 HD2 ARG A 100 8.984 20.264 -22.830 1.00 14.11 H new ATOM 0 HD3 ARG A 100 9.658 19.462 -21.425 1.00 14.11 H new ATOM 0 HE ARG A 100 7.469 19.149 -20.522 1.00 2.02 H new ATOM 0 HH11 ARG A 100 7.390 21.112 -23.505 1.00 42.44 H new ATOM 0 HH12 ARG A 100 5.640 20.962 -23.696 1.00 42.44 H new ATOM 0 HH21 ARG A 100 5.245 18.967 -20.776 1.00 62.43 H new ATOM 0 HH22 ARG A 100 4.422 19.737 -22.137 1.00 62.43 H new ATOM 1585 N LEU A 101 11.032 18.957 -19.383 1.00 72.11 N ATOM 1586 CA LEU A 101 11.730 17.891 -20.082 1.00 53.33 C ATOM 1587 C LEU A 101 10.714 17.032 -20.838 1.00 32.15 C ATOM 1588 O LEU A 101 9.528 17.034 -20.510 1.00 41.32 O ATOM 1589 CB LEU A 101 12.606 17.097 -19.111 1.00 54.21 C ATOM 1590 CG LEU A 101 12.616 17.589 -17.662 1.00 64.32 C ATOM 1591 CD1 LEU A 101 13.501 16.698 -16.788 1.00 1.22 C ATOM 1592 CD2 LEU A 101 13.030 19.060 -17.585 1.00 60.24 C ATOM 0 H LEU A 101 10.429 18.644 -18.622 1.00 72.11 H new ATOM 0 HA LEU A 101 12.413 18.305 -20.824 1.00 53.33 H new ATOM 0 HB2 LEU A 101 12.274 16.059 -19.119 1.00 54.21 H new ATOM 0 HB3 LEU A 101 13.630 17.107 -19.485 1.00 54.21 H new ATOM 0 HG LEU A 101 11.601 17.520 -17.270 1.00 64.32 H new ATOM 0 HD11 LEU A 101 13.491 17.069 -15.763 1.00 1.22 H new ATOM 0 HD12 LEU A 101 13.121 15.676 -16.808 1.00 1.22 H new ATOM 0 HD13 LEU A 101 14.522 16.713 -17.170 1.00 1.22 H new ATOM 0 HD21 LEU A 101 13.029 19.384 -16.544 1.00 60.24 H new ATOM 0 HD22 LEU A 101 14.030 19.179 -18.001 1.00 60.24 H new ATOM 0 HD23 LEU A 101 12.326 19.666 -18.155 1.00 60.24 H new ATOM 1604 N GLU A 102 11.216 16.317 -21.834 1.00 53.50 N ATOM 1605 CA GLU A 102 10.367 15.455 -22.638 1.00 52.25 C ATOM 1606 C GLU A 102 10.216 14.086 -21.971 1.00 44.55 C ATOM 1607 O GLU A 102 11.061 13.685 -21.173 1.00 64.10 O ATOM 1608 CB GLU A 102 10.917 15.315 -24.059 1.00 52.32 C ATOM 1609 CG GLU A 102 11.300 16.680 -24.636 1.00 22.33 C ATOM 1610 CD GLU A 102 10.254 17.163 -25.643 1.00 25.04 C ATOM 1611 OE1 GLU A 102 10.553 17.275 -26.841 1.00 1.21 O ATOM 1612 OE2 GLU A 102 9.095 17.425 -25.141 1.00 41.13 O ATOM 0 H GLU A 102 12.200 16.317 -22.102 1.00 53.50 H new ATOM 0 HA GLU A 102 9.381 15.913 -22.709 1.00 52.25 H new ATOM 0 HB2 GLU A 102 11.789 14.661 -24.052 1.00 52.32 H new ATOM 0 HB3 GLU A 102 10.170 14.843 -24.697 1.00 52.32 H new ATOM 0 HG2 GLU A 102 11.395 17.406 -23.829 1.00 22.33 H new ATOM 0 HG3 GLU A 102 12.274 16.613 -25.121 1.00 22.33 H new ATOM 1620 N PRO A 103 9.106 13.390 -22.333 1.00 72.20 N ATOM 1621 CA PRO A 103 8.834 12.075 -21.779 1.00 32.45 C ATOM 1622 C PRO A 103 9.744 11.016 -22.405 1.00 51.33 C ATOM 1623 O PRO A 103 9.266 10.001 -22.910 1.00 0.43 O ATOM 1624 CB PRO A 103 7.359 11.829 -22.054 1.00 64.41 C ATOM 1625 CG PRO A 103 6.973 12.803 -23.155 1.00 11.12 C ATOM 1626 CD PRO A 103 8.083 13.834 -23.276 1.00 22.02 C ATOM 0 HA PRO A 103 9.041 12.018 -20.710 1.00 32.45 H new ATOM 0 HB2 PRO A 103 7.186 10.799 -22.365 1.00 64.41 H new ATOM 0 HB3 PRO A 103 6.761 11.996 -21.158 1.00 64.41 H new ATOM 0 HG2 PRO A 103 6.836 12.277 -24.100 1.00 11.12 H new ATOM 0 HG3 PRO A 103 6.025 13.288 -22.921 1.00 11.12 H new ATOM 0 HD2 PRO A 103 8.474 13.878 -24.293 1.00 22.02 H new ATOM 0 HD3 PRO A 103 7.724 14.833 -23.029 1.00 22.02 H new ATOM 1634 N HIS A 104 11.039 11.290 -22.353 1.00 23.32 N ATOM 1635 CA HIS A 104 12.021 10.374 -22.909 1.00 34.21 C ATOM 1636 C HIS A 104 13.371 11.082 -23.035 1.00 13.54 C ATOM 1637 O HIS A 104 14.420 10.445 -22.958 1.00 1.32 O ATOM 1638 CB HIS A 104 11.530 9.793 -24.236 1.00 62.45 C ATOM 1639 CG HIS A 104 10.911 8.420 -24.115 1.00 5.40 C ATOM 1640 ND1 HIS A 104 11.558 7.357 -23.509 1.00 43.41 N ATOM 1641 CD2 HIS A 104 9.699 7.950 -24.527 1.00 23.35 C ATOM 1642 CE1 HIS A 104 10.762 6.299 -23.560 1.00 44.53 C ATOM 1643 NE2 HIS A 104 9.611 6.668 -24.192 1.00 0.43 N ATOM 0 H HIS A 104 11.431 12.133 -21.934 1.00 23.32 H new ATOM 0 HA HIS A 104 12.156 9.528 -22.236 1.00 34.21 H new ATOM 0 HB2 HIS A 104 10.797 10.474 -24.670 1.00 62.45 H new ATOM 0 HB3 HIS A 104 12.368 9.742 -24.931 1.00 62.45 H new ATOM 0 HD2 HIS A 104 8.940 8.523 -25.039 1.00 23.35 H new ATOM 0 HE1 HIS A 104 10.985 5.317 -23.170 1.00 44.53 H new ATOM 0 HE2 HIS A 104 8.814 6.059 -24.377 1.00 0.43 H new ATOM 1651 N LYS A 105 13.300 12.392 -23.226 1.00 20.42 N ATOM 1652 CA LYS A 105 14.504 13.194 -23.363 1.00 13.01 C ATOM 1653 C LYS A 105 15.009 13.588 -21.974 1.00 5.42 C ATOM 1654 O LYS A 105 14.280 14.198 -21.194 1.00 10.24 O ATOM 1655 CB LYS A 105 14.250 14.387 -24.287 1.00 11.14 C ATOM 1656 CG LYS A 105 13.495 13.955 -25.545 1.00 51.13 C ATOM 1657 CD LYS A 105 14.386 13.108 -26.455 1.00 62.44 C ATOM 1658 CE LYS A 105 14.210 11.617 -26.161 1.00 72.53 C ATOM 1659 NZ LYS A 105 14.473 10.814 -27.377 1.00 23.25 N ATOM 0 H LYS A 105 12.428 12.917 -23.289 1.00 20.42 H new ATOM 0 HA LYS A 105 15.296 12.615 -23.838 1.00 13.01 H new ATOM 0 HB2 LYS A 105 13.676 15.146 -23.757 1.00 11.14 H new ATOM 0 HB3 LYS A 105 15.199 14.843 -24.567 1.00 11.14 H new ATOM 0 HG2 LYS A 105 12.609 13.385 -25.264 1.00 51.13 H new ATOM 0 HG3 LYS A 105 13.149 14.836 -26.086 1.00 51.13 H new ATOM 0 HD2 LYS A 105 14.141 13.308 -27.498 1.00 62.44 H new ATOM 0 HD3 LYS A 105 15.429 13.390 -26.313 1.00 62.44 H new ATOM 0 HE2 LYS A 105 14.890 11.315 -25.364 1.00 72.53 H new ATOM 0 HE3 LYS A 105 13.197 11.428 -25.805 1.00 72.53 H new ATOM 0 HZ1 LYS A 105 14.349 9.804 -27.160 1.00 23.25 H new ATOM 0 HZ2 LYS A 105 13.808 11.091 -28.127 1.00 23.25 H new ATOM 0 HZ3 LYS A 105 15.447 10.982 -27.700 1.00 23.25 H new ATOM 1672 N PRO A 106 16.288 13.214 -21.700 1.00 41.32 N ATOM 1673 CA PRO A 106 16.900 13.522 -20.419 1.00 10.42 C ATOM 1674 C PRO A 106 17.278 15.003 -20.333 1.00 60.54 C ATOM 1675 O PRO A 106 17.544 15.639 -21.352 1.00 20.31 O ATOM 1676 CB PRO A 106 18.101 12.596 -20.324 1.00 3.03 C ATOM 1677 CG PRO A 106 18.387 12.137 -21.744 1.00 60.23 C ATOM 1678 CD PRO A 106 17.182 12.491 -22.600 1.00 33.11 C ATOM 0 HA PRO A 106 16.223 13.362 -19.580 1.00 10.42 H new ATOM 0 HB2 PRO A 106 18.961 13.114 -19.900 1.00 3.03 H new ATOM 0 HB3 PRO A 106 17.889 11.747 -19.674 1.00 3.03 H new ATOM 0 HG2 PRO A 106 19.284 12.622 -22.129 1.00 60.23 H new ATOM 0 HG3 PRO A 106 18.570 11.063 -21.768 1.00 60.23 H new ATOM 0 HD2 PRO A 106 17.469 13.107 -23.452 1.00 33.11 H new ATOM 0 HD3 PRO A 106 16.704 11.597 -23.000 1.00 33.11 H new ATOM 1686 N GLN A 107 17.290 15.508 -19.109 1.00 31.54 N ATOM 1687 CA GLN A 107 17.631 16.901 -18.877 1.00 21.22 C ATOM 1688 C GLN A 107 18.633 17.018 -17.727 1.00 25.42 C ATOM 1689 O GLN A 107 18.294 16.756 -16.574 1.00 11.42 O ATOM 1690 CB GLN A 107 16.378 17.733 -18.599 1.00 10.24 C ATOM 1691 CG GLN A 107 16.728 19.013 -17.836 1.00 33.54 C ATOM 1692 CD GLN A 107 17.777 19.831 -18.590 1.00 50.43 C ATOM 1693 OE1 GLN A 107 17.715 20.007 -19.796 1.00 43.10 O ATOM 1694 NE2 GLN A 107 18.741 20.321 -17.816 1.00 11.04 N ATOM 0 H GLN A 107 17.069 14.977 -18.267 1.00 31.54 H new ATOM 0 HA GLN A 107 18.097 17.296 -19.780 1.00 21.22 H new ATOM 0 HB2 GLN A 107 15.890 17.988 -19.540 1.00 10.24 H new ATOM 0 HB3 GLN A 107 15.667 17.144 -18.021 1.00 10.24 H new ATOM 0 HG2 GLN A 107 15.829 19.612 -17.692 1.00 33.54 H new ATOM 0 HG3 GLN A 107 17.104 18.759 -16.845 1.00 33.54 H new ATOM 0 HE21 GLN A 107 18.733 20.136 -16.813 1.00 11.04 H new ATOM 0 HE22 GLN A 107 19.488 20.882 -18.225 1.00 11.04 H new ATOM 1703 N GLN A 108 19.848 17.410 -18.081 1.00 3.44 N ATOM 1704 CA GLN A 108 20.902 17.565 -17.092 1.00 63.03 C ATOM 1705 C GLN A 108 20.357 18.250 -15.838 1.00 21.15 C ATOM 1706 O GLN A 108 19.274 18.832 -15.865 1.00 1.51 O ATOM 1707 CB GLN A 108 22.086 18.342 -17.671 1.00 4.34 C ATOM 1708 CG GLN A 108 22.218 19.715 -17.007 1.00 71.32 C ATOM 1709 CD GLN A 108 23.351 20.524 -17.642 1.00 12.13 C ATOM 1710 OE1 GLN A 108 23.472 20.628 -18.851 1.00 41.13 O ATOM 1711 NE2 GLN A 108 24.171 21.090 -16.761 1.00 31.34 N ATOM 0 H GLN A 108 20.126 17.625 -19.038 1.00 3.44 H new ATOM 0 HA GLN A 108 21.261 16.574 -16.813 1.00 63.03 H new ATOM 0 HB2 GLN A 108 23.005 17.774 -17.525 1.00 4.34 H new ATOM 0 HB3 GLN A 108 21.954 18.465 -18.746 1.00 4.34 H new ATOM 0 HG2 GLN A 108 21.279 20.261 -17.102 1.00 71.32 H new ATOM 0 HG3 GLN A 108 22.408 19.591 -15.941 1.00 71.32 H new ATOM 0 HE21 GLN A 108 24.012 20.963 -15.762 1.00 31.34 H new ATOM 0 HE22 GLN A 108 24.959 21.652 -17.085 1.00 31.34 H new ATOM 1720 N ILE A 109 21.132 18.157 -14.767 1.00 45.22 N ATOM 1721 CA ILE A 109 20.741 18.761 -13.505 1.00 32.32 C ATOM 1722 C ILE A 109 21.962 19.417 -12.858 1.00 0.04 C ATOM 1723 O ILE A 109 22.876 18.728 -12.407 1.00 72.10 O ATOM 1724 CB ILE A 109 20.050 17.730 -12.610 1.00 31.03 C ATOM 1725 CG1 ILE A 109 19.073 16.871 -13.416 1.00 25.24 C ATOM 1726 CG2 ILE A 109 19.369 18.407 -11.418 1.00 63.13 C ATOM 1727 CD1 ILE A 109 17.815 17.663 -13.775 1.00 73.44 C ATOM 0 H ILE A 109 22.029 17.672 -14.748 1.00 45.22 H new ATOM 0 HA ILE A 109 20.006 19.549 -13.671 1.00 32.32 H new ATOM 0 HB ILE A 109 20.812 17.061 -12.209 1.00 31.03 H new ATOM 0 HG12 ILE A 109 19.558 16.519 -14.327 1.00 25.24 H new ATOM 0 HG13 ILE A 109 18.799 15.988 -12.839 1.00 25.24 H new ATOM 0 HG21 ILE A 109 18.886 17.652 -10.798 1.00 63.13 H new ATOM 0 HG22 ILE A 109 20.115 18.939 -10.827 1.00 63.13 H new ATOM 0 HG23 ILE A 109 18.621 19.113 -11.779 1.00 63.13 H new ATOM 0 HD11 ILE A 109 17.137 17.030 -14.348 1.00 73.44 H new ATOM 0 HD12 ILE A 109 17.319 17.992 -12.862 1.00 73.44 H new ATOM 0 HD13 ILE A 109 18.090 18.532 -14.372 1.00 73.44 H new ATOM 1739 N PRO A 110 21.938 20.777 -12.831 1.00 74.55 N ATOM 1740 CA PRO A 110 23.031 21.534 -12.247 1.00 64.40 C ATOM 1741 C PRO A 110 22.988 21.469 -10.719 1.00 21.10 C ATOM 1742 O PRO A 110 21.967 21.103 -10.138 1.00 64.22 O ATOM 1743 CB PRO A 110 22.866 22.945 -12.787 1.00 34.22 C ATOM 1744 CG PRO A 110 21.430 23.038 -13.277 1.00 72.41 C ATOM 1745 CD PRO A 110 20.872 21.626 -13.356 1.00 30.14 C ATOM 0 HA PRO A 110 24.009 21.133 -12.512 1.00 64.40 H new ATOM 0 HB2 PRO A 110 23.063 23.685 -12.012 1.00 34.22 H new ATOM 0 HB3 PRO A 110 23.569 23.138 -13.598 1.00 34.22 H new ATOM 0 HG2 PRO A 110 20.833 23.647 -12.597 1.00 72.41 H new ATOM 0 HG3 PRO A 110 21.390 23.519 -14.254 1.00 72.41 H new ATOM 0 HD2 PRO A 110 19.960 21.527 -12.767 1.00 30.14 H new ATOM 0 HD3 PRO A 110 20.620 21.357 -14.382 1.00 30.14 H new ATOM 1753 N ILE A 111 24.109 21.830 -10.111 1.00 54.33 N ATOM 1754 CA ILE A 111 24.211 21.818 -8.662 1.00 5.11 C ATOM 1755 C ILE A 111 23.324 22.922 -8.083 1.00 31.53 C ATOM 1756 O ILE A 111 23.144 23.968 -8.703 1.00 51.23 O ATOM 1757 CB ILE A 111 25.675 21.915 -8.228 1.00 24.01 C ATOM 1758 CG1 ILE A 111 26.549 20.943 -9.023 1.00 73.35 C ATOM 1759 CG2 ILE A 111 25.815 21.707 -6.718 1.00 53.05 C ATOM 1760 CD1 ILE A 111 25.991 19.520 -8.950 1.00 64.44 C ATOM 0 H ILE A 111 24.954 22.132 -10.596 1.00 54.33 H new ATOM 0 HA ILE A 111 23.845 20.872 -8.262 1.00 5.11 H new ATOM 0 HB ILE A 111 26.030 22.922 -8.449 1.00 24.01 H new ATOM 0 HG12 ILE A 111 26.602 21.264 -10.063 1.00 73.35 H new ATOM 0 HG13 ILE A 111 27.566 20.959 -8.632 1.00 73.35 H new ATOM 0 HG21 ILE A 111 26.865 21.781 -6.436 1.00 53.05 H new ATOM 0 HG22 ILE A 111 25.243 22.471 -6.191 1.00 53.05 H new ATOM 0 HG23 ILE A 111 25.436 20.721 -6.450 1.00 53.05 H new ATOM 0 HD11 ILE A 111 26.630 18.849 -9.523 1.00 64.44 H new ATOM 0 HD12 ILE A 111 25.962 19.194 -7.910 1.00 64.44 H new ATOM 0 HD13 ILE A 111 24.983 19.503 -9.364 1.00 64.44 H new ATOM 1772 N ASP A 112 22.793 22.650 -6.900 1.00 33.42 N ATOM 1773 CA ASP A 112 21.928 23.606 -6.230 1.00 3.32 C ATOM 1774 C ASP A 112 20.750 23.950 -7.143 1.00 61.45 C ATOM 1775 O ASP A 112 20.080 24.961 -6.944 1.00 54.41 O ATOM 1776 CB ASP A 112 22.679 24.903 -5.919 1.00 34.24 C ATOM 1777 CG ASP A 112 23.582 24.847 -4.685 1.00 62.12 C ATOM 1778 OD1 ASP A 112 23.475 25.684 -3.777 1.00 4.03 O ATOM 1779 OD2 ASP A 112 24.437 23.880 -4.679 1.00 13.43 O ATOM 0 H ASP A 112 22.945 21.781 -6.388 1.00 33.42 H new ATOM 0 HA ASP A 112 21.584 23.155 -5.299 1.00 3.32 H new ATOM 0 HB2 ASP A 112 23.287 25.170 -6.784 1.00 34.24 H new ATOM 0 HB3 ASP A 112 21.951 25.703 -5.782 1.00 34.24 H new ATOM 1785 N SER A 113 20.534 23.088 -8.126 1.00 71.32 N ATOM 1786 CA SER A 113 19.448 23.287 -9.071 1.00 63.02 C ATOM 1787 C SER A 113 18.105 23.019 -8.389 1.00 41.22 C ATOM 1788 O SER A 113 18.043 22.869 -7.170 1.00 11.00 O ATOM 1789 CB SER A 113 19.611 22.384 -10.296 1.00 2.24 C ATOM 1790 OG SER A 113 18.484 22.455 -11.165 1.00 44.30 O ATOM 0 H SER A 113 21.093 22.250 -8.288 1.00 71.32 H new ATOM 0 HA SER A 113 19.476 24.322 -9.410 1.00 63.02 H new ATOM 0 HB2 SER A 113 20.509 22.673 -10.842 1.00 2.24 H new ATOM 0 HB3 SER A 113 19.754 21.354 -9.970 1.00 2.24 H new ATOM 0 HG SER A 113 18.708 23.001 -11.947 1.00 44.30 H new ATOM 1796 N THR A 114 17.063 22.968 -9.206 1.00 21.42 N ATOM 1797 CA THR A 114 15.725 22.721 -8.697 1.00 32.54 C ATOM 1798 C THR A 114 14.846 22.103 -9.786 1.00 34.44 C ATOM 1799 O THR A 114 14.734 22.648 -10.883 1.00 25.05 O ATOM 1800 CB THR A 114 15.176 24.040 -8.149 1.00 25.43 C ATOM 1801 OG1 THR A 114 16.007 24.321 -7.026 1.00 5.30 O ATOM 1802 CG2 THR A 114 13.777 23.888 -7.548 1.00 25.31 C ATOM 0 H THR A 114 17.119 23.094 -10.217 1.00 21.42 H new ATOM 0 HA THR A 114 15.739 21.995 -7.884 1.00 32.54 H new ATOM 0 HB THR A 114 15.149 24.782 -8.947 1.00 25.43 H new ATOM 0 HG1 THR A 114 16.624 23.574 -6.881 1.00 5.30 H new ATOM 0 HG21 THR A 114 13.435 24.853 -7.174 1.00 25.31 H new ATOM 0 HG22 THR A 114 13.089 23.531 -8.314 1.00 25.31 H new ATOM 0 HG23 THR A 114 13.810 23.172 -6.727 1.00 25.31 H new ATOM 1810 N VAL A 115 14.243 20.973 -9.445 1.00 21.13 N ATOM 1811 CA VAL A 115 13.377 20.275 -10.380 1.00 22.13 C ATOM 1812 C VAL A 115 11.993 20.099 -9.752 1.00 52.43 C ATOM 1813 O VAL A 115 11.859 20.084 -8.530 1.00 31.53 O ATOM 1814 CB VAL A 115 14.017 18.949 -10.796 1.00 43.00 C ATOM 1815 CG1 VAL A 115 15.429 18.817 -10.221 1.00 11.31 C ATOM 1816 CG2 VAL A 115 13.143 17.764 -10.381 1.00 21.02 C ATOM 0 H VAL A 115 14.337 20.524 -8.534 1.00 21.13 H new ATOM 0 HA VAL A 115 13.249 20.859 -11.291 1.00 22.13 H new ATOM 0 HB VAL A 115 14.096 18.942 -11.883 1.00 43.00 H new ATOM 0 HG11 VAL A 115 15.861 17.866 -10.532 1.00 11.31 H new ATOM 0 HG12 VAL A 115 16.049 19.635 -10.588 1.00 11.31 H new ATOM 0 HG13 VAL A 115 15.384 18.857 -9.133 1.00 11.31 H new ATOM 0 HG21 VAL A 115 13.621 16.834 -10.689 1.00 21.02 H new ATOM 0 HG22 VAL A 115 13.017 17.766 -9.298 1.00 21.02 H new ATOM 0 HG23 VAL A 115 12.167 17.846 -10.860 1.00 21.02 H new ATOM 1826 N SER A 116 10.998 19.972 -10.618 1.00 31.01 N ATOM 1827 CA SER A 116 9.629 19.798 -10.164 1.00 15.21 C ATOM 1828 C SER A 116 8.889 18.831 -11.090 1.00 60.51 C ATOM 1829 O SER A 116 8.658 19.138 -12.258 1.00 62.15 O ATOM 1830 CB SER A 116 8.895 21.139 -10.102 1.00 55.11 C ATOM 1831 OG SER A 116 8.362 21.515 -11.369 1.00 43.43 O ATOM 0 H SER A 116 11.113 19.986 -11.631 1.00 31.01 H new ATOM 0 HA SER A 116 9.653 19.380 -9.158 1.00 15.21 H new ATOM 0 HB2 SER A 116 8.087 21.077 -9.373 1.00 55.11 H new ATOM 0 HB3 SER A 116 9.580 21.912 -9.753 1.00 55.11 H new ATOM 0 HG SER A 116 8.281 20.721 -11.938 1.00 43.43 H new ATOM 1837 N PHE A 117 8.538 17.681 -10.533 1.00 70.32 N ATOM 1838 CA PHE A 117 7.829 16.666 -11.295 1.00 3.05 C ATOM 1839 C PHE A 117 6.369 17.066 -11.516 1.00 2.44 C ATOM 1840 O PHE A 117 5.837 17.908 -10.794 1.00 15.10 O ATOM 1841 CB PHE A 117 7.873 15.377 -10.471 1.00 43.23 C ATOM 1842 CG PHE A 117 9.205 14.629 -10.558 1.00 71.51 C ATOM 1843 CD1 PHE A 117 10.375 15.302 -10.400 1.00 5.43 C ATOM 1844 CD2 PHE A 117 9.218 13.289 -10.794 1.00 12.14 C ATOM 1845 CE1 PHE A 117 11.611 14.608 -10.480 1.00 63.42 C ATOM 1846 CE2 PHE A 117 10.454 12.594 -10.874 1.00 55.31 C ATOM 1847 CZ PHE A 117 11.624 13.268 -10.716 1.00 2.13 C ATOM 0 H PHE A 117 8.731 17.429 -9.564 1.00 70.32 H new ATOM 0 HA PHE A 117 8.295 16.541 -12.272 1.00 3.05 H new ATOM 0 HB2 PHE A 117 7.671 15.618 -9.427 1.00 43.23 H new ATOM 0 HB3 PHE A 117 7.074 14.716 -10.806 1.00 43.23 H new ATOM 0 HD1 PHE A 117 10.365 16.366 -10.213 1.00 5.43 H new ATOM 0 HD2 PHE A 117 8.288 12.754 -10.920 1.00 12.14 H new ATOM 0 HE1 PHE A 117 12.540 15.143 -10.354 1.00 63.42 H new ATOM 0 HE2 PHE A 117 10.464 11.530 -11.060 1.00 55.31 H new ATOM 0 HZ PHE A 117 12.564 12.740 -10.778 1.00 2.13 H new ATOM 1857 N GLY A 118 5.763 16.444 -12.516 1.00 45.34 N ATOM 1858 CA GLY A 118 4.375 16.725 -12.842 1.00 4.24 C ATOM 1859 C GLY A 118 3.474 16.520 -11.622 1.00 42.22 C ATOM 1860 O GLY A 118 3.065 17.486 -10.979 1.00 71.50 O ATOM 0 H GLY A 118 6.208 15.746 -13.112 1.00 45.34 H new ATOM 0 HA2 GLY A 118 4.282 17.751 -13.199 1.00 4.24 H new ATOM 0 HA3 GLY A 118 4.049 16.074 -13.653 1.00 4.24 H new ATOM 1864 N ALA A 119 3.192 15.257 -11.341 1.00 34.31 N ATOM 1865 CA ALA A 119 2.346 14.913 -10.210 1.00 65.21 C ATOM 1866 C ALA A 119 2.680 15.830 -9.032 1.00 0.21 C ATOM 1867 O ALA A 119 1.981 16.812 -8.788 1.00 52.30 O ATOM 1868 CB ALA A 119 2.530 13.433 -9.867 1.00 11.11 C ATOM 0 H ALA A 119 3.534 14.459 -11.876 1.00 34.31 H new ATOM 0 HA ALA A 119 1.295 15.063 -10.457 1.00 65.21 H new ATOM 0 HB1 ALA A 119 1.896 13.174 -9.019 1.00 11.11 H new ATOM 0 HB2 ALA A 119 2.253 12.823 -10.727 1.00 11.11 H new ATOM 0 HB3 ALA A 119 3.573 13.246 -9.611 1.00 11.11 H new ATOM 1874 N SER A 120 3.748 15.477 -8.332 1.00 45.35 N ATOM 1875 CA SER A 120 4.183 16.257 -7.186 1.00 23.42 C ATOM 1876 C SER A 120 4.528 17.682 -7.622 1.00 55.11 C ATOM 1877 O SER A 120 4.494 17.996 -8.811 1.00 2.52 O ATOM 1878 CB SER A 120 5.387 15.606 -6.502 1.00 20.42 C ATOM 1879 OG SER A 120 5.420 15.881 -5.104 1.00 44.21 O ATOM 0 H SER A 120 4.325 14.661 -8.536 1.00 45.35 H new ATOM 0 HA SER A 120 3.365 16.292 -6.467 1.00 23.42 H new ATOM 0 HB2 SER A 120 5.354 14.528 -6.659 1.00 20.42 H new ATOM 0 HB3 SER A 120 6.306 15.967 -6.964 1.00 20.42 H new ATOM 0 HG SER A 120 6.103 15.323 -4.677 1.00 44.21 H new ATOM 1885 N THR A 121 4.851 18.507 -6.637 1.00 35.34 N ATOM 1886 CA THR A 121 5.201 19.891 -6.904 1.00 14.42 C ATOM 1887 C THR A 121 6.448 20.288 -6.112 1.00 1.31 C ATOM 1888 O THR A 121 6.755 21.472 -5.983 1.00 43.41 O ATOM 1889 CB THR A 121 3.979 20.757 -6.588 1.00 4.21 C ATOM 1890 OG1 THR A 121 3.656 20.423 -5.241 1.00 2.42 O ATOM 1891 CG2 THR A 121 2.742 20.336 -7.383 1.00 52.52 C ATOM 0 H THR A 121 4.878 18.243 -5.652 1.00 35.34 H new ATOM 0 HA THR A 121 5.460 20.038 -7.953 1.00 14.42 H new ATOM 0 HB THR A 121 4.209 21.801 -6.801 1.00 4.21 H new ATOM 0 HG1 THR A 121 2.875 20.941 -4.954 1.00 2.42 H new ATOM 0 HG21 THR A 121 1.904 20.982 -7.121 1.00 52.52 H new ATOM 0 HG22 THR A 121 2.948 20.423 -8.450 1.00 52.52 H new ATOM 0 HG23 THR A 121 2.491 19.302 -7.145 1.00 52.52 H new ATOM 1899 N ARG A 122 7.133 19.275 -5.602 1.00 43.50 N ATOM 1900 CA ARG A 122 8.341 19.504 -4.826 1.00 75.23 C ATOM 1901 C ARG A 122 9.346 20.323 -5.638 1.00 21.11 C ATOM 1902 O ARG A 122 9.049 20.750 -6.752 1.00 75.24 O ATOM 1903 CB ARG A 122 8.987 18.181 -4.412 1.00 23.41 C ATOM 1904 CG ARG A 122 8.081 17.403 -3.456 1.00 75.30 C ATOM 1905 CD ARG A 122 7.684 18.263 -2.254 1.00 70.05 C ATOM 1906 NE ARG A 122 7.348 17.398 -1.102 1.00 35.03 N ATOM 1907 CZ ARG A 122 6.189 16.715 -0.981 1.00 24.14 C ATOM 1908 NH1 ARG A 122 5.245 16.791 -1.943 1.00 23.15 N ATOM 1909 NH2 ARG A 122 5.994 15.972 0.093 1.00 71.23 N ATOM 0 H ARG A 122 6.875 18.294 -5.711 1.00 43.50 H new ATOM 0 HA ARG A 122 8.060 20.055 -3.928 1.00 75.23 H new ATOM 0 HB2 ARG A 122 9.190 17.579 -5.297 1.00 23.41 H new ATOM 0 HB3 ARG A 122 9.946 18.375 -3.932 1.00 23.41 H new ATOM 0 HG2 ARG A 122 7.186 17.075 -3.984 1.00 75.30 H new ATOM 0 HG3 ARG A 122 8.595 16.506 -3.112 1.00 75.30 H new ATOM 0 HD2 ARG A 122 8.502 18.933 -1.990 1.00 70.05 H new ATOM 0 HD3 ARG A 122 6.829 18.889 -2.511 1.00 70.05 H new ATOM 0 HE ARG A 122 8.034 17.312 -0.352 1.00 35.03 H new ATOM 0 HH11 ARG A 122 5.404 17.367 -2.769 1.00 23.15 H new ATOM 0 HH12 ARG A 122 4.373 16.272 -1.844 1.00 23.15 H new ATOM 0 HH21 ARG A 122 6.713 15.921 0.815 1.00 71.23 H new ATOM 0 HH22 ARG A 122 5.125 15.450 0.201 1.00 71.23 H new ATOM 1922 N ALA A 123 10.516 20.518 -5.047 1.00 60.34 N ATOM 1923 CA ALA A 123 11.567 21.278 -5.702 1.00 2.22 C ATOM 1924 C ALA A 123 12.913 20.589 -5.464 1.00 15.41 C ATOM 1925 O ALA A 123 13.807 21.163 -4.845 1.00 11.44 O ATOM 1926 CB ALA A 123 11.551 22.719 -5.187 1.00 51.05 C ATOM 0 H ALA A 123 10.759 20.163 -4.122 1.00 60.34 H new ATOM 0 HA ALA A 123 11.401 21.314 -6.779 1.00 2.22 H new ATOM 0 HB1 ALA A 123 12.339 23.290 -5.678 1.00 51.05 H new ATOM 0 HB2 ALA A 123 10.584 23.173 -5.406 1.00 51.05 H new ATOM 0 HB3 ALA A 123 11.718 22.722 -4.110 1.00 51.05 H new ATOM 1932 N TYR A 124 13.013 19.369 -5.969 1.00 25.43 N ATOM 1933 CA TYR A 124 14.235 18.595 -5.819 1.00 14.41 C ATOM 1934 C TYR A 124 15.467 19.454 -6.114 1.00 34.44 C ATOM 1935 O TYR A 124 15.659 19.903 -7.242 1.00 70.03 O ATOM 1936 CB TYR A 124 14.152 17.471 -6.853 1.00 54.45 C ATOM 1937 CG TYR A 124 12.986 16.506 -6.631 1.00 54.13 C ATOM 1938 CD1 TYR A 124 12.169 16.652 -5.528 1.00 41.51 C ATOM 1939 CD2 TYR A 124 12.750 15.489 -7.534 1.00 1.01 C ATOM 1940 CE1 TYR A 124 11.072 15.744 -5.319 1.00 34.00 C ATOM 1941 CE2 TYR A 124 11.653 14.581 -7.325 1.00 34.42 C ATOM 1942 CZ TYR A 124 10.867 14.753 -6.228 1.00 25.13 C ATOM 1943 OH TYR A 124 9.831 13.895 -6.030 1.00 70.11 O ATOM 0 H TYR A 124 12.269 18.897 -6.482 1.00 25.43 H new ATOM 0 HA TYR A 124 14.329 18.219 -4.800 1.00 14.41 H new ATOM 0 HB2 TYR A 124 14.062 17.911 -7.846 1.00 54.45 H new ATOM 0 HB3 TYR A 124 15.085 16.907 -6.837 1.00 54.45 H new ATOM 0 HD1 TYR A 124 12.353 17.448 -4.822 1.00 41.51 H new ATOM 0 HD2 TYR A 124 13.389 15.375 -8.397 1.00 1.01 H new ATOM 0 HE1 TYR A 124 10.426 15.847 -4.460 1.00 34.00 H new ATOM 0 HE2 TYR A 124 11.458 13.781 -8.024 1.00 34.42 H new ATOM 0 HH TYR A 124 9.805 13.240 -6.758 1.00 70.11 H new ATOM 1953 N THR A 125 16.269 19.655 -5.079 1.00 11.43 N ATOM 1954 CA THR A 125 17.477 20.452 -5.212 1.00 70.35 C ATOM 1955 C THR A 125 18.711 19.548 -5.239 1.00 42.01 C ATOM 1956 O THR A 125 19.146 19.054 -4.200 1.00 32.11 O ATOM 1957 CB THR A 125 17.497 21.475 -4.075 1.00 23.41 C ATOM 1958 OG1 THR A 125 16.801 22.599 -4.606 1.00 62.33 O ATOM 1959 CG2 THR A 125 18.903 22.007 -3.791 1.00 43.12 C ATOM 0 H THR A 125 16.106 19.280 -4.145 1.00 11.43 H new ATOM 0 HA THR A 125 17.490 20.996 -6.157 1.00 70.35 H new ATOM 0 HB THR A 125 17.091 21.020 -3.171 1.00 23.41 H new ATOM 0 HG1 THR A 125 15.861 22.363 -4.752 1.00 62.33 H new ATOM 0 HG21 THR A 125 18.861 22.729 -2.976 1.00 43.12 H new ATOM 0 HG22 THR A 125 19.555 21.180 -3.510 1.00 43.12 H new ATOM 0 HG23 THR A 125 19.296 22.491 -4.685 1.00 43.12 H new ATOM 1967 N LEU A 126 19.241 19.359 -6.439 1.00 0.33 N ATOM 1968 CA LEU A 126 20.417 18.524 -6.614 1.00 73.45 C ATOM 1969 C LEU A 126 21.648 19.268 -6.094 1.00 63.34 C ATOM 1970 O LEU A 126 22.107 20.226 -6.714 1.00 55.23 O ATOM 1971 CB LEU A 126 20.540 18.072 -8.071 1.00 44.52 C ATOM 1972 CG LEU A 126 21.824 17.324 -8.435 1.00 4.11 C ATOM 1973 CD1 LEU A 126 22.936 18.300 -8.824 1.00 5.23 C ATOM 1974 CD2 LEU A 126 22.253 16.388 -7.303 1.00 1.42 C ATOM 0 H LEU A 126 18.878 19.770 -7.299 1.00 0.33 H new ATOM 0 HA LEU A 126 20.327 17.610 -6.027 1.00 73.45 H new ATOM 0 HB2 LEU A 126 19.691 17.430 -8.304 1.00 44.52 H new ATOM 0 HB3 LEU A 126 20.461 18.951 -8.711 1.00 44.52 H new ATOM 0 HG LEU A 126 21.621 16.703 -9.307 1.00 4.11 H new ATOM 0 HD11 LEU A 126 23.837 17.742 -9.078 1.00 5.23 H new ATOM 0 HD12 LEU A 126 22.619 18.889 -9.685 1.00 5.23 H new ATOM 0 HD13 LEU A 126 23.145 18.966 -7.987 1.00 5.23 H new ATOM 0 HD21 LEU A 126 23.168 15.869 -7.587 1.00 1.42 H new ATOM 0 HD22 LEU A 126 22.432 16.969 -6.398 1.00 1.42 H new ATOM 0 HD23 LEU A 126 21.465 15.659 -7.116 1.00 1.42 H new ATOM 1986 N ARG A 127 22.149 18.798 -4.961 1.00 62.14 N ATOM 1987 CA ARG A 127 23.319 19.407 -4.351 1.00 32.21 C ATOM 1988 C ARG A 127 24.576 18.609 -4.701 1.00 45.03 C ATOM 1989 O ARG A 127 24.527 17.694 -5.522 1.00 33.35 O ATOM 1990 CB ARG A 127 23.174 19.474 -2.829 1.00 54.43 C ATOM 1991 CG ARG A 127 23.456 20.887 -2.314 1.00 13.11 C ATOM 1992 CD ARG A 127 22.292 21.829 -2.630 1.00 70.23 C ATOM 1993 NE ARG A 127 21.193 21.618 -1.662 1.00 11.22 N ATOM 1994 CZ ARG A 127 21.129 22.209 -0.450 1.00 33.14 C ATOM 1995 NH1 ARG A 127 22.102 23.053 -0.046 1.00 51.25 N ATOM 1996 NH2 ARG A 127 20.100 21.948 0.336 1.00 40.54 N ATOM 0 H ARG A 127 21.766 18.003 -4.450 1.00 62.14 H new ATOM 0 HA ARG A 127 23.407 20.421 -4.742 1.00 32.21 H new ATOM 0 HB2 ARG A 127 22.166 19.173 -2.542 1.00 54.43 H new ATOM 0 HB3 ARG A 127 23.862 18.769 -2.363 1.00 54.43 H new ATOM 0 HG2 ARG A 127 23.623 20.859 -1.237 1.00 13.11 H new ATOM 0 HG3 ARG A 127 24.370 21.268 -2.769 1.00 13.11 H new ATOM 0 HD2 ARG A 127 22.630 22.864 -2.589 1.00 70.23 H new ATOM 0 HD3 ARG A 127 21.934 21.651 -3.644 1.00 70.23 H new ATOM 0 HE ARG A 127 20.437 20.987 -1.927 1.00 11.22 H new ATOM 0 HH11 ARG A 127 22.894 23.249 -0.658 1.00 51.25 H new ATOM 0 HH12 ARG A 127 22.045 23.495 0.872 1.00 51.25 H new ATOM 0 HH21 ARG A 127 19.369 21.308 0.024 1.00 40.54 H new ATOM 0 HH22 ARG A 127 20.036 22.386 1.255 1.00 40.54 H new ATOM 2009 N GLU A 128 25.674 18.985 -4.062 1.00 44.34 N ATOM 2010 CA GLU A 128 26.943 18.316 -4.296 1.00 51.34 C ATOM 2011 C GLU A 128 27.902 18.576 -3.133 1.00 63.40 C ATOM 2012 O GLU A 128 28.438 19.675 -2.998 1.00 74.15 O ATOM 2013 CB GLU A 128 27.560 18.759 -5.625 1.00 15.34 C ATOM 2014 CG GLU A 128 29.042 18.386 -5.693 1.00 32.04 C ATOM 2015 CD GLU A 128 29.593 18.586 -7.106 1.00 4.44 C ATOM 2016 OE1 GLU A 128 30.526 17.878 -7.513 1.00 51.03 O ATOM 2017 OE2 GLU A 128 29.017 19.517 -7.789 1.00 23.40 O ATOM 0 H GLU A 128 25.711 19.745 -3.382 1.00 44.34 H new ATOM 0 HA GLU A 128 26.760 17.243 -4.358 1.00 51.34 H new ATOM 0 HB2 GLU A 128 27.025 18.292 -6.452 1.00 15.34 H new ATOM 0 HB3 GLU A 128 27.447 19.837 -5.741 1.00 15.34 H new ATOM 0 HG2 GLU A 128 29.607 18.996 -4.989 1.00 32.04 H new ATOM 0 HG3 GLU A 128 29.173 17.347 -5.391 1.00 32.04 H new ATOM 2025 N LYS A 129 28.090 17.545 -2.322 1.00 4.00 N ATOM 2026 CA LYS A 129 28.976 17.648 -1.174 1.00 71.45 C ATOM 2027 C LYS A 129 30.179 18.518 -1.541 1.00 4.43 C ATOM 2028 O LYS A 129 31.135 18.039 -2.149 1.00 72.03 O ATOM 2029 CB LYS A 129 29.356 16.256 -0.665 1.00 20.10 C ATOM 2030 CG LYS A 129 28.123 15.499 -0.167 1.00 62.43 C ATOM 2031 CD LYS A 129 28.500 14.099 0.324 1.00 44.52 C ATOM 2032 CE LYS A 129 29.711 14.154 1.258 1.00 14.33 C ATOM 2033 NZ LYS A 129 30.964 14.248 0.478 1.00 44.54 N ATOM 0 H LYS A 129 27.644 16.635 -2.437 1.00 4.00 H new ATOM 0 HA LYS A 129 28.469 18.139 -0.343 1.00 71.45 H new ATOM 0 HB2 LYS A 129 29.836 15.691 -1.464 1.00 20.10 H new ATOM 0 HB3 LYS A 129 30.083 16.346 0.142 1.00 20.10 H new ATOM 0 HG2 LYS A 129 27.651 16.057 0.642 1.00 62.43 H new ATOM 0 HG3 LYS A 129 27.390 15.421 -0.970 1.00 62.43 H new ATOM 0 HD2 LYS A 129 27.654 13.652 0.846 1.00 44.52 H new ATOM 0 HD3 LYS A 129 28.723 13.458 -0.529 1.00 44.52 H new ATOM 0 HE2 LYS A 129 29.625 15.013 1.924 1.00 14.33 H new ATOM 0 HE3 LYS A 129 29.733 13.264 1.887 1.00 14.33 H new ATOM 0 HZ1 LYS A 129 31.728 14.602 1.089 1.00 44.54 H new ATOM 0 HZ2 LYS A 129 31.219 13.307 0.116 1.00 44.54 H new ATOM 0 HZ3 LYS A 129 30.828 14.901 -0.320 1.00 44.54 H new ATOM 2046 N PRO A 130 30.092 19.816 -1.144 1.00 54.33 N ATOM 2047 CA PRO A 130 31.162 20.758 -1.424 1.00 53.44 C ATOM 2048 C PRO A 130 32.357 20.521 -0.500 1.00 24.12 C ATOM 2049 O PRO A 130 32.477 19.457 0.105 1.00 31.34 O ATOM 2050 CB PRO A 130 30.535 22.131 -1.244 1.00 14.23 C ATOM 2051 CG PRO A 130 29.275 21.909 -0.422 1.00 3.32 C ATOM 2052 CD PRO A 130 28.975 20.419 -0.422 1.00 4.23 C ATOM 0 HA PRO A 130 31.566 20.648 -2.430 1.00 53.44 H new ATOM 0 HB2 PRO A 130 31.219 22.809 -0.734 1.00 14.23 H new ATOM 0 HB3 PRO A 130 30.298 22.582 -2.208 1.00 14.23 H new ATOM 0 HG2 PRO A 130 29.415 22.270 0.597 1.00 3.32 H new ATOM 0 HG3 PRO A 130 28.440 22.467 -0.846 1.00 3.32 H new ATOM 0 HD2 PRO A 130 28.903 20.029 0.594 1.00 4.23 H new ATOM 0 HD3 PRO A 130 28.025 20.206 -0.913 1.00 4.23 H new ATOM 2060 N GLN A 131 33.212 21.530 -0.420 1.00 23.14 N ATOM 2061 CA GLN A 131 34.394 21.444 0.421 1.00 3.21 C ATOM 2062 C GLN A 131 34.095 21.998 1.816 1.00 42.45 C ATOM 2063 O GLN A 131 33.301 22.926 1.961 1.00 12.14 O ATOM 2064 CB GLN A 131 35.576 22.176 -0.218 1.00 11.40 C ATOM 2065 CG GLN A 131 35.337 23.687 -0.241 1.00 40.52 C ATOM 2066 CD GLN A 131 34.634 24.112 -1.532 1.00 62.44 C ATOM 2067 OE1 GLN A 131 35.054 23.791 -2.632 1.00 73.22 O ATOM 2068 NE2 GLN A 131 33.544 24.849 -1.338 1.00 63.31 N ATOM 0 H GLN A 131 33.110 22.411 -0.924 1.00 23.14 H new ATOM 0 HA GLN A 131 34.670 20.394 0.520 1.00 3.21 H new ATOM 0 HB2 GLN A 131 36.488 21.957 0.338 1.00 11.40 H new ATOM 0 HB3 GLN A 131 35.727 21.813 -1.234 1.00 11.40 H new ATOM 0 HG2 GLN A 131 34.732 23.976 0.619 1.00 40.52 H new ATOM 0 HG3 GLN A 131 36.289 24.211 -0.152 1.00 40.52 H new ATOM 0 HE21 GLN A 131 33.248 25.082 -0.390 1.00 63.31 H new ATOM 0 HE22 GLN A 131 33.004 25.182 -2.137 1.00 63.31 H new ATOM 2077 N THR A 132 34.748 21.406 2.805 1.00 15.42 N ATOM 2078 CA THR A 132 34.561 21.829 4.183 1.00 44.32 C ATOM 2079 C THR A 132 35.288 23.151 4.438 1.00 51.44 C ATOM 2080 O THR A 132 36.108 23.580 3.627 1.00 70.50 O ATOM 2081 CB THR A 132 35.030 20.693 5.094 1.00 63.14 C ATOM 2082 OG1 THR A 132 34.769 21.172 6.410 1.00 54.53 O ATOM 2083 CG2 THR A 132 36.548 20.504 5.061 1.00 43.53 C ATOM 0 H THR A 132 35.407 20.637 2.680 1.00 15.42 H new ATOM 0 HA THR A 132 33.510 22.025 4.398 1.00 44.32 H new ATOM 0 HB THR A 132 34.542 19.765 4.796 1.00 63.14 H new ATOM 0 HG1 THR A 132 35.042 20.496 7.064 1.00 54.53 H new ATOM 0 HG21 THR A 132 36.827 19.686 5.725 1.00 43.53 H new ATOM 0 HG22 THR A 132 36.864 20.270 4.044 1.00 43.53 H new ATOM 0 HG23 THR A 132 37.036 21.421 5.391 1.00 43.53 H new TER 2091 THR A 132