USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 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 Single : A 0 GLY N :NH3+ -134:sc= 0.0762 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -106:sc= -2.86 USER MOD Single : A 15 HIS : no HD1:sc= -4.88 K(o=-4.9,f=-1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 59:sc= 0.324 USER MOD Single : A 24 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.15) USER MOD Single : A 25 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.27) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.0394 (180deg=-0.0394) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.239 USER MOD Single : A 39 CYS SG : rot -32:sc= 0.353 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 42:sc= -4.49! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.88) USER MOD Single : A 75 SER OG : rot -79:sc= 1.27 USER MOD Single : A 76 HIS : no HE2:sc= -9.6! C(o=-9.6!,f=-6.4!) USER MOD Single : A 79 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.1!) USER MOD Single : A 80 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.75) USER MOD Single : A 82 TYR OH : rot 95:sc= -0.387 USER MOD Single : A 84 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 87 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.3) USER MOD Single : A 91 GLN : amide:sc= -0.026 K(o=-0.026,f=-1.6!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 20:sc= 0.812 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -0.031 -13.814 -14.437 1.00 0.00 N ATOM 2 CA GLY A 0 -1.201 -13.059 -14.021 1.00 0.00 C ATOM 3 C GLY A 0 -2.345 -13.225 -15.023 1.00 0.00 C ATOM 4 O GLY A 0 -2.408 -14.223 -15.739 1.00 0.00 O ATOM 0 H1 GLY A 0 0.350 -14.340 -13.624 1.00 0.00 H new ATOM 0 H2 GLY A 0 -0.298 -14.483 -15.187 1.00 0.00 H new ATOM 0 H3 GLY A 0 0.694 -13.161 -14.797 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -1.524 -13.395 -13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.944 -12.004 -13.929 1.00 0.00 H new ATOM 8 N SER A 1 -3.222 -12.232 -15.040 1.00 0.00 N ATOM 9 CA SER A 1 -4.361 -12.255 -15.942 1.00 0.00 C ATOM 10 C SER A 1 -4.284 -11.074 -16.912 1.00 0.00 C ATOM 11 O SER A 1 -3.447 -10.187 -16.751 1.00 0.00 O ATOM 12 CB SER A 1 -5.679 -12.220 -15.166 1.00 0.00 C ATOM 13 OG SER A 1 -6.028 -13.500 -14.648 1.00 0.00 O ATOM 0 H SER A 1 -3.167 -11.406 -14.444 1.00 0.00 H new ATOM 0 HA SER A 1 -4.330 -13.185 -16.509 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.598 -11.507 -14.346 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.475 -11.864 -15.820 1.00 0.00 H new ATOM 0 HG SER A 1 -6.874 -13.435 -14.158 1.00 0.00 H new ATOM 19 N SER A 2 -5.170 -11.100 -17.898 1.00 0.00 N ATOM 20 CA SER A 2 -5.213 -10.043 -18.893 1.00 0.00 C ATOM 21 C SER A 2 -6.110 -8.903 -18.407 1.00 0.00 C ATOM 22 O SER A 2 -6.886 -9.076 -17.469 1.00 0.00 O ATOM 23 CB SER A 2 -5.712 -10.574 -20.239 1.00 0.00 C ATOM 24 OG SER A 2 -7.074 -10.988 -20.178 1.00 0.00 O ATOM 0 H SER A 2 -5.863 -11.837 -18.028 1.00 0.00 H new ATOM 0 HA SER A 2 -4.200 -9.665 -19.035 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.602 -9.799 -20.998 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.091 -11.414 -20.550 1.00 0.00 H new ATOM 0 HG SER A 2 -7.355 -11.319 -21.057 1.00 0.00 H new ATOM 30 N GLY A 3 -5.973 -7.762 -19.067 1.00 0.00 N ATOM 31 CA GLY A 3 -6.761 -6.594 -18.714 1.00 0.00 C ATOM 32 C GLY A 3 -6.528 -6.196 -17.256 1.00 0.00 C ATOM 33 O GLY A 3 -6.069 -7.007 -16.453 1.00 0.00 O ATOM 0 H GLY A 3 -5.328 -7.622 -19.844 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.498 -5.763 -19.368 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.819 -6.803 -18.873 1.00 0.00 H new ATOM 37 N SER A 4 -6.854 -4.947 -16.957 1.00 0.00 N ATOM 38 CA SER A 4 -6.685 -4.431 -15.609 1.00 0.00 C ATOM 39 C SER A 4 -8.051 -4.113 -14.996 1.00 0.00 C ATOM 40 O SER A 4 -8.432 -4.697 -13.983 1.00 0.00 O ATOM 41 CB SER A 4 -5.797 -3.185 -15.603 1.00 0.00 C ATOM 42 OG SER A 4 -4.450 -3.491 -15.256 1.00 0.00 O ATOM 0 H SER A 4 -7.234 -4.277 -17.625 1.00 0.00 H new ATOM 0 HA SER A 4 -6.193 -5.196 -15.009 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.821 -2.718 -16.588 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.197 -2.458 -14.896 1.00 0.00 H new ATOM 0 HG SER A 4 -3.915 -2.670 -15.265 1.00 0.00 H new ATOM 48 N SER A 5 -8.750 -3.187 -15.636 1.00 0.00 N ATOM 49 CA SER A 5 -10.065 -2.784 -15.167 1.00 0.00 C ATOM 50 C SER A 5 -10.040 -2.584 -13.650 1.00 0.00 C ATOM 51 O SER A 5 -10.396 -3.487 -12.895 1.00 0.00 O ATOM 52 CB SER A 5 -11.126 -3.818 -15.548 1.00 0.00 C ATOM 53 OG SER A 5 -11.358 -3.852 -16.954 1.00 0.00 O ATOM 0 H SER A 5 -8.430 -2.704 -16.476 1.00 0.00 H new ATOM 0 HA SER A 5 -10.326 -1.841 -15.648 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.809 -4.804 -15.209 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.058 -3.588 -15.032 1.00 0.00 H new ATOM 0 HG SER A 5 -12.040 -4.526 -17.157 1.00 0.00 H new ATOM 59 N GLY A 6 -9.615 -1.394 -13.250 1.00 0.00 N ATOM 60 CA GLY A 6 -9.539 -1.063 -11.837 1.00 0.00 C ATOM 61 C GLY A 6 -8.100 -1.160 -11.328 1.00 0.00 C ATOM 62 O GLY A 6 -7.452 -2.195 -11.480 1.00 0.00 O ATOM 0 H GLY A 6 -9.320 -0.648 -13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.918 -0.054 -11.675 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.177 -1.739 -11.267 1.00 0.00 H new ATOM 66 N THR A 7 -7.641 -0.068 -10.734 1.00 0.00 N ATOM 67 CA THR A 7 -6.290 -0.017 -10.202 1.00 0.00 C ATOM 68 C THR A 7 -6.309 -0.186 -8.681 1.00 0.00 C ATOM 69 O THR A 7 -7.350 -0.019 -8.047 1.00 0.00 O ATOM 70 CB THR A 7 -5.651 1.295 -10.659 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.700 2.252 -10.542 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.313 1.293 -12.152 1.00 0.00 C ATOM 0 H THR A 7 -8.181 0.788 -10.609 1.00 0.00 H new ATOM 0 HA THR A 7 -5.684 -0.840 -10.582 1.00 0.00 H new ATOM 0 HB THR A 7 -4.745 1.477 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.371 3.133 -10.817 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.862 2.247 -12.424 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.612 0.486 -12.365 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.224 1.144 -12.731 1.00 0.00 H new ATOM 80 N PRO A 8 -5.115 -0.524 -8.125 1.00 0.00 N ATOM 81 CA PRO A 8 -4.985 -0.717 -6.691 1.00 0.00 C ATOM 82 C PRO A 8 -4.988 0.624 -5.955 1.00 0.00 C ATOM 83 O PRO A 8 -5.651 0.772 -4.929 1.00 0.00 O ATOM 84 CB PRO A 8 -3.688 -1.489 -6.514 1.00 0.00 C ATOM 85 CG PRO A 8 -2.908 -1.295 -7.804 1.00 0.00 C ATOM 86 CD PRO A 8 -3.861 -0.730 -8.844 1.00 0.00 C ATOM 0 HA PRO A 8 -5.822 -1.268 -6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.126 -1.117 -5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.884 -2.546 -6.331 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.070 -0.616 -7.645 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.490 -2.243 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.485 0.205 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.991 -1.420 -9.678 1.00 0.00 H new ATOM 94 N LEU A 9 -4.239 1.568 -6.507 1.00 0.00 N ATOM 95 CA LEU A 9 -4.147 2.892 -5.915 1.00 0.00 C ATOM 96 C LEU A 9 -5.541 3.521 -5.863 1.00 0.00 C ATOM 97 O LEU A 9 -5.924 4.108 -4.852 1.00 0.00 O ATOM 98 CB LEU A 9 -3.116 3.742 -6.661 1.00 0.00 C ATOM 99 CG LEU A 9 -3.033 5.212 -6.247 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.772 5.344 -4.745 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.987 5.958 -7.078 1.00 0.00 C ATOM 0 H LEU A 9 -3.690 1.442 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.788 2.826 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.134 3.290 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.340 3.697 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.997 5.679 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.717 6.399 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.583 4.870 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.829 4.857 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.948 7.001 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.010 5.498 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.257 5.907 -8.133 1.00 0.00 H new ATOM 113 N SER A 10 -6.261 3.377 -6.966 1.00 0.00 N ATOM 114 CA SER A 10 -7.605 3.923 -7.058 1.00 0.00 C ATOM 115 C SER A 10 -8.516 3.249 -6.031 1.00 0.00 C ATOM 116 O SER A 10 -9.252 3.923 -5.312 1.00 0.00 O ATOM 117 CB SER A 10 -8.174 3.749 -8.468 1.00 0.00 C ATOM 118 OG SER A 10 -9.454 4.359 -8.606 1.00 0.00 O ATOM 0 H SER A 10 -5.940 2.891 -7.803 1.00 0.00 H new ATOM 0 HA SER A 10 -7.556 4.991 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.485 4.183 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.252 2.687 -8.699 1.00 0.00 H new ATOM 0 HG SER A 10 -9.782 4.227 -9.520 1.00 0.00 H new ATOM 124 N LEU A 11 -8.438 1.927 -5.995 1.00 0.00 N ATOM 125 CA LEU A 11 -9.246 1.154 -5.067 1.00 0.00 C ATOM 126 C LEU A 11 -8.910 1.572 -3.634 1.00 0.00 C ATOM 127 O LEU A 11 -9.805 1.868 -2.844 1.00 0.00 O ATOM 128 CB LEU A 11 -9.076 -0.344 -5.327 1.00 0.00 C ATOM 129 CG LEU A 11 -9.584 -0.852 -6.678 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.750 -2.038 -7.167 1.00 0.00 C ATOM 131 CD2 LEU A 11 -11.075 -1.188 -6.612 1.00 0.00 C ATOM 0 H LEU A 11 -7.827 1.371 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.305 1.362 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.017 -0.589 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.593 -0.890 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.466 -0.053 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.132 -2.380 -8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.710 -1.730 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.813 -2.850 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.411 -1.547 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.241 -1.962 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.638 -0.295 -6.341 1.00 0.00 H new ATOM 143 N THR A 12 -7.618 1.582 -3.343 1.00 0.00 N ATOM 144 CA THR A 12 -7.152 1.959 -2.019 1.00 0.00 C ATOM 145 C THR A 12 -7.695 3.337 -1.634 1.00 0.00 C ATOM 146 O THR A 12 -8.278 3.502 -0.564 1.00 0.00 O ATOM 147 CB THR A 12 -5.624 1.885 -2.016 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.247 2.444 -3.272 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.107 0.446 -2.078 1.00 0.00 C ATOM 0 H THR A 12 -6.879 1.335 -4.001 1.00 0.00 H new ATOM 0 HA THR A 12 -7.526 1.273 -1.259 1.00 0.00 H new ATOM 0 HB THR A 12 -5.239 2.370 -1.119 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.952 1.729 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.017 0.450 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.471 -0.109 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.464 -0.030 -2.991 1.00 0.00 H new ATOM 157 N LEU A 13 -7.483 4.291 -2.529 1.00 0.00 N ATOM 158 CA LEU A 13 -7.944 5.650 -2.297 1.00 0.00 C ATOM 159 C LEU A 13 -9.468 5.651 -2.161 1.00 0.00 C ATOM 160 O LEU A 13 -10.017 6.325 -1.291 1.00 0.00 O ATOM 161 CB LEU A 13 -7.423 6.586 -3.389 1.00 0.00 C ATOM 162 CG LEU A 13 -5.908 6.798 -3.423 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.450 7.254 -4.810 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.464 7.767 -2.326 1.00 0.00 C ATOM 0 H LEU A 13 -6.999 4.150 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.540 6.035 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.737 6.194 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.903 7.557 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.425 5.842 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.370 7.398 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.714 6.496 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.940 8.194 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.383 7.899 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.954 8.730 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.738 7.363 -1.351 1.00 0.00 H new ATOM 176 N ASP A 14 -10.108 4.888 -3.035 1.00 0.00 N ATOM 177 CA ASP A 14 -11.558 4.793 -3.024 1.00 0.00 C ATOM 178 C ASP A 14 -12.021 4.285 -1.657 1.00 0.00 C ATOM 179 O ASP A 14 -13.185 4.444 -1.294 1.00 0.00 O ATOM 180 CB ASP A 14 -12.053 3.809 -4.086 1.00 0.00 C ATOM 181 CG ASP A 14 -12.200 4.394 -5.492 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.702 5.523 -5.691 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.806 3.699 -6.336 1.00 0.00 O ATOM 0 H ASP A 14 -9.649 4.330 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.963 5.783 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.362 2.967 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.018 3.413 -3.771 1.00 0.00 H new ATOM 188 N HIS A 15 -11.085 3.685 -0.936 1.00 0.00 N ATOM 189 CA HIS A 15 -11.383 3.153 0.383 1.00 0.00 C ATOM 190 C HIS A 15 -10.407 3.740 1.405 1.00 0.00 C ATOM 191 O HIS A 15 -10.024 3.067 2.360 1.00 0.00 O ATOM 192 CB HIS A 15 -11.375 1.623 0.367 1.00 0.00 C ATOM 193 CG HIS A 15 -12.695 1.007 -0.032 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.887 1.314 0.601 1.00 0.00 N ATOM 195 CD2 HIS A 15 -12.998 0.100 -1.005 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.857 0.616 0.027 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.303 -0.136 -0.967 1.00 0.00 N ATOM 0 H HIS A 15 -10.120 3.556 -1.240 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.389 3.450 0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.603 1.281 -0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.101 1.261 1.358 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.295 -0.350 -1.690 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -15.902 0.639 0.299 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.809 -0.775 -1.580 1.00 0.00 H new ATOM 205 N TRP A 16 -10.033 4.989 1.169 1.00 0.00 N ATOM 206 CA TRP A 16 -9.109 5.674 2.056 1.00 0.00 C ATOM 207 C TRP A 16 -9.588 5.459 3.494 1.00 0.00 C ATOM 208 O TRP A 16 -8.777 5.288 4.403 1.00 0.00 O ATOM 209 CB TRP A 16 -8.984 7.153 1.683 1.00 0.00 C ATOM 210 CG TRP A 16 -7.953 7.919 2.514 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.134 9.046 3.217 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.566 7.568 2.701 1.00 0.00 C ATOM 213 NE1 TRP A 16 -6.969 9.444 3.841 1.00 0.00 N ATOM 214 CE2 TRP A 16 -5.986 8.517 3.517 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.826 6.484 2.196 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.640 8.478 3.901 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.483 6.459 2.590 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.883 7.407 3.411 1.00 0.00 C ATOM 0 H TRP A 16 -10.353 5.544 0.376 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.104 5.263 1.958 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.716 7.230 0.629 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.957 7.630 1.800 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.073 9.576 3.286 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.851 10.267 4.431 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.259 5.731 1.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.209 9.234 4.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.870 5.646 2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.838 7.318 3.670 1.00 0.00 H new ATOM 229 N SER A 17 -10.903 5.476 3.655 1.00 0.00 N ATOM 230 CA SER A 17 -11.499 5.285 4.966 1.00 0.00 C ATOM 231 C SER A 17 -10.975 3.992 5.595 1.00 0.00 C ATOM 232 O SER A 17 -10.612 3.972 6.770 1.00 0.00 O ATOM 233 CB SER A 17 -13.026 5.252 4.877 1.00 0.00 C ATOM 234 OG SER A 17 -13.585 6.561 4.815 1.00 0.00 O ATOM 0 H SER A 17 -11.573 5.619 2.899 1.00 0.00 H new ATOM 0 HA SER A 17 -11.217 6.128 5.597 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.326 4.688 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.428 4.726 5.743 1.00 0.00 H new ATOM 0 HG SER A 17 -14.561 6.497 4.757 1.00 0.00 H new ATOM 240 N GLU A 18 -10.954 2.944 4.786 1.00 0.00 N ATOM 241 CA GLU A 18 -10.482 1.650 5.248 1.00 0.00 C ATOM 242 C GLU A 18 -8.984 1.711 5.555 1.00 0.00 C ATOM 243 O GLU A 18 -8.542 1.245 6.604 1.00 0.00 O ATOM 244 CB GLU A 18 -10.788 0.556 4.224 1.00 0.00 C ATOM 245 CG GLU A 18 -10.003 -0.721 4.534 1.00 0.00 C ATOM 246 CD GLU A 18 -10.387 -1.281 5.905 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.539 -1.752 6.024 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.520 -1.226 6.804 1.00 0.00 O ATOM 0 H GLU A 18 -11.257 2.964 3.812 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.012 1.399 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.856 0.340 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.536 0.908 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.198 -1.468 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.934 -0.510 4.510 1.00 0.00 H new ATOM 255 N ILE A 19 -8.244 2.288 4.619 1.00 0.00 N ATOM 256 CA ILE A 19 -6.805 2.415 4.776 1.00 0.00 C ATOM 257 C ILE A 19 -6.504 3.237 6.031 1.00 0.00 C ATOM 258 O ILE A 19 -5.527 2.973 6.730 1.00 0.00 O ATOM 259 CB ILE A 19 -6.176 2.984 3.502 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.801 2.357 2.255 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.654 2.824 3.524 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.918 0.839 2.404 1.00 0.00 C ATOM 0 H ILE A 19 -8.614 2.673 3.750 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.349 1.435 4.919 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.387 4.053 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.788 2.786 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.194 2.594 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.232 3.236 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.245 3.355 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.400 1.766 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.366 0.418 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.927 0.410 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.545 0.605 3.264 1.00 0.00 H new ATOM 274 N ARG A 20 -7.362 4.216 6.278 1.00 0.00 N ATOM 275 CA ARG A 20 -7.199 5.078 7.437 1.00 0.00 C ATOM 276 C ARG A 20 -7.522 4.309 8.720 1.00 0.00 C ATOM 277 O ARG A 20 -6.936 4.571 9.769 1.00 0.00 O ATOM 278 CB ARG A 20 -8.109 6.304 7.342 1.00 0.00 C ATOM 279 CG ARG A 20 -7.565 7.315 6.331 1.00 0.00 C ATOM 280 CD ARG A 20 -7.970 8.741 6.708 1.00 0.00 C ATOM 281 NE ARG A 20 -9.425 8.924 6.508 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.128 9.951 7.004 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.514 10.894 7.731 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.445 10.036 6.772 1.00 0.00 N ATOM 0 H ARG A 20 -8.172 4.431 5.696 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.161 5.410 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.112 5.995 7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.195 6.774 8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.478 7.242 6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.941 7.078 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.710 8.939 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.418 9.457 6.100 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.924 8.224 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.511 10.830 7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.049 11.676 8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.913 9.319 6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.980 10.818 7.150 1.00 0.00 H new ATOM 298 N SER A 21 -8.454 3.375 8.593 1.00 0.00 N ATOM 299 CA SER A 21 -8.862 2.567 9.730 1.00 0.00 C ATOM 300 C SER A 21 -7.714 1.651 10.159 1.00 0.00 C ATOM 301 O SER A 21 -7.392 1.566 11.343 1.00 0.00 O ATOM 302 CB SER A 21 -10.106 1.740 9.399 1.00 0.00 C ATOM 303 OG SER A 21 -11.024 2.460 8.581 1.00 0.00 O ATOM 0 H SER A 21 -8.938 3.160 7.721 1.00 0.00 H new ATOM 0 HA SER A 21 -9.112 3.236 10.554 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.807 0.824 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.600 1.443 10.324 1.00 0.00 H new ATOM 0 HG SER A 21 -10.584 2.719 7.745 1.00 0.00 H new ATOM 309 N ARG A 22 -7.127 0.988 9.173 1.00 0.00 N ATOM 310 CA ARG A 22 -6.022 0.082 9.434 1.00 0.00 C ATOM 311 C ARG A 22 -4.901 0.811 10.176 1.00 0.00 C ATOM 312 O ARG A 22 -4.289 0.254 11.086 1.00 0.00 O ATOM 313 CB ARG A 22 -5.468 -0.500 8.132 1.00 0.00 C ATOM 314 CG ARG A 22 -6.583 -1.126 7.292 1.00 0.00 C ATOM 315 CD ARG A 22 -6.377 -2.634 7.143 1.00 0.00 C ATOM 316 NE ARG A 22 -7.211 -3.153 6.036 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.418 -4.455 5.797 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.853 -5.379 6.587 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.190 -4.833 4.769 1.00 0.00 N ATOM 0 H ARG A 22 -7.396 1.061 8.192 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.400 -0.733 10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.974 0.285 7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.713 -1.252 8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.548 -0.932 7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.607 -0.660 6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.326 -2.848 6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.638 -3.139 8.073 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.656 -2.477 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.266 -5.091 7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.010 -6.370 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.620 -4.130 4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.348 -5.824 4.587 1.00 0.00 H new ATOM 333 N ALA A 23 -4.666 2.047 9.760 1.00 0.00 N ATOM 334 CA ALA A 23 -3.629 2.859 10.375 1.00 0.00 C ATOM 335 C ALA A 23 -4.004 3.142 11.831 1.00 0.00 C ATOM 336 O ALA A 23 -3.138 3.181 12.703 1.00 0.00 O ATOM 337 CB ALA A 23 -3.436 4.141 9.563 1.00 0.00 C ATOM 0 H ALA A 23 -5.176 2.506 9.005 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.677 2.328 10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.658 4.750 10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.141 3.886 8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.370 4.702 9.541 1.00 0.00 H new ATOM 343 N HIS A 24 -5.297 3.331 12.049 1.00 0.00 N ATOM 344 CA HIS A 24 -5.798 3.609 13.384 1.00 0.00 C ATOM 345 C HIS A 24 -5.585 2.385 14.277 1.00 0.00 C ATOM 346 O HIS A 24 -5.121 2.512 15.410 1.00 0.00 O ATOM 347 CB HIS A 24 -7.260 4.058 13.334 1.00 0.00 C ATOM 348 CG HIS A 24 -7.539 5.329 14.099 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.738 5.565 14.748 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.761 6.429 14.314 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.675 6.757 15.323 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.449 7.291 15.052 1.00 0.00 N ATOM 0 H HIS A 24 -6.013 3.297 11.323 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.239 4.437 13.820 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.550 4.202 12.293 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.888 3.261 13.733 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.756 6.574 13.946 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.457 7.224 15.904 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.116 8.203 15.365 1.00 0.00 H new ATOM 360 N ASN A 25 -5.933 1.228 13.734 1.00 0.00 N ATOM 361 CA ASN A 25 -5.785 -0.018 14.468 1.00 0.00 C ATOM 362 C ASN A 25 -4.297 -0.340 14.622 1.00 0.00 C ATOM 363 O ASN A 25 -3.900 -1.021 15.567 1.00 0.00 O ATOM 364 CB ASN A 25 -6.445 -1.179 13.721 1.00 0.00 C ATOM 365 CG ASN A 25 -7.372 -1.969 14.647 1.00 0.00 C ATOM 366 OD1 ASN A 25 -7.090 -2.184 15.814 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.490 -2.389 14.062 1.00 0.00 N ATOM 0 H ASN A 25 -6.317 1.127 12.795 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.263 0.104 15.440 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.013 -0.795 12.873 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.678 -1.840 13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.174 -2.926 14.595 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.664 -2.174 13.080 1.00 0.00 H new ATOM 374 N LEU A 26 -3.514 0.164 13.680 1.00 0.00 N ATOM 375 CA LEU A 26 -2.079 -0.062 13.699 1.00 0.00 C ATOM 376 C LEU A 26 -1.407 1.024 14.542 1.00 0.00 C ATOM 377 O LEU A 26 -0.237 0.903 14.899 1.00 0.00 O ATOM 378 CB LEU A 26 -1.533 -0.159 12.273 1.00 0.00 C ATOM 379 CG LEU A 26 -1.930 -1.410 11.486 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.495 -1.299 10.024 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.384 -2.674 12.153 1.00 0.00 C ATOM 0 H LEU A 26 -3.846 0.728 12.898 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.850 -1.018 14.169 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.867 0.717 11.717 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.445 -0.112 12.318 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.017 -1.487 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.789 -2.201 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.973 -0.433 9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.412 -1.184 9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.681 -3.548 11.574 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.296 -2.621 12.198 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.786 -2.755 13.163 1.00 0.00 H new ATOM 393 N SER A 27 -2.178 2.062 14.836 1.00 0.00 N ATOM 394 CA SER A 27 -1.672 3.168 15.630 1.00 0.00 C ATOM 395 C SER A 27 -0.669 3.984 14.812 1.00 0.00 C ATOM 396 O SER A 27 0.409 4.320 15.300 1.00 0.00 O ATOM 397 CB SER A 27 -1.021 2.667 16.921 1.00 0.00 C ATOM 398 OG SER A 27 -1.858 1.750 17.620 1.00 0.00 O ATOM 0 H SER A 27 -3.149 2.159 14.538 1.00 0.00 H new ATOM 0 HA SER A 27 -2.513 3.806 15.903 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.072 2.185 16.685 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.795 3.516 17.566 1.00 0.00 H new ATOM 0 HG SER A 27 -1.406 1.452 18.437 1.00 0.00 H new ATOM 404 N VAL A 28 -1.061 4.281 13.581 1.00 0.00 N ATOM 405 CA VAL A 28 -0.209 5.051 12.690 1.00 0.00 C ATOM 406 C VAL A 28 -1.065 6.056 11.917 1.00 0.00 C ATOM 407 O VAL A 28 -2.251 5.821 11.688 1.00 0.00 O ATOM 408 CB VAL A 28 0.580 4.111 11.777 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.677 3.383 12.556 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.350 3.116 11.080 1.00 0.00 C ATOM 0 H VAL A 28 -1.957 4.002 13.180 1.00 0.00 H new ATOM 0 HA VAL A 28 0.526 5.619 13.260 1.00 0.00 H new ATOM 0 HB VAL A 28 1.061 4.716 11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.223 2.721 11.883 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.364 4.113 12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.226 2.796 13.356 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.236 2.459 10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.872 2.520 11.829 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.078 3.659 10.477 1.00 0.00 H new ATOM 420 N GLU A 29 -0.431 7.156 11.537 1.00 0.00 N ATOM 421 CA GLU A 29 -1.120 8.198 10.794 1.00 0.00 C ATOM 422 C GLU A 29 -0.556 8.299 9.375 1.00 0.00 C ATOM 423 O GLU A 29 0.657 8.238 9.180 1.00 0.00 O ATOM 424 CB GLU A 29 -1.026 9.541 11.519 1.00 0.00 C ATOM 425 CG GLU A 29 -2.417 10.094 11.833 1.00 0.00 C ATOM 426 CD GLU A 29 -2.436 10.794 13.193 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.239 10.081 14.201 1.00 0.00 O ATOM 428 OE2 GLU A 29 -2.646 12.026 13.195 1.00 0.00 O ATOM 0 H GLU A 29 0.552 7.348 11.730 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.175 7.933 10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.462 9.420 12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.478 10.254 10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.717 10.796 11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.144 9.282 11.828 1.00 0.00 H new ATOM 435 N ILE A 30 -1.463 8.454 8.422 1.00 0.00 N ATOM 436 CA ILE A 30 -1.071 8.565 7.027 1.00 0.00 C ATOM 437 C ILE A 30 -1.966 9.592 6.331 1.00 0.00 C ATOM 438 O ILE A 30 -3.068 9.877 6.796 1.00 0.00 O ATOM 439 CB ILE A 30 -1.078 7.189 6.358 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.476 6.568 6.395 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.026 6.270 6.982 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.425 5.081 6.037 1.00 0.00 C ATOM 0 H ILE A 30 -2.468 8.505 8.588 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.046 8.928 6.946 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.811 7.318 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.907 6.692 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.129 7.092 5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.052 5.299 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.963 6.713 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.238 6.143 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.431 4.664 6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.016 4.962 5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.791 4.556 6.751 1.00 0.00 H new ATOM 454 N LYS A 31 -1.458 10.119 5.226 1.00 0.00 N ATOM 455 CA LYS A 31 -2.198 11.109 4.461 1.00 0.00 C ATOM 456 C LYS A 31 -2.551 10.527 3.091 1.00 0.00 C ATOM 457 O LYS A 31 -2.020 9.491 2.696 1.00 0.00 O ATOM 458 CB LYS A 31 -1.417 12.423 4.389 1.00 0.00 C ATOM 459 CG LYS A 31 -1.816 13.361 5.529 1.00 0.00 C ATOM 460 CD LYS A 31 -2.020 14.789 5.019 1.00 0.00 C ATOM 461 CE LYS A 31 -0.941 15.726 5.564 1.00 0.00 C ATOM 462 NZ LYS A 31 -1.431 16.437 6.767 1.00 0.00 N ATOM 0 H LYS A 31 -0.544 9.879 4.842 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.138 11.351 4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.348 12.218 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.603 12.909 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.734 13.003 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.044 13.353 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.996 14.796 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.004 15.149 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.046 15.155 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.657 16.448 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.686 17.069 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.272 16.997 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.680 15.745 7.502 1.00 0.00 H new ATOM 476 N LYS A 32 -3.447 11.220 2.403 1.00 0.00 N ATOM 477 CA LYS A 32 -3.878 10.785 1.085 1.00 0.00 C ATOM 478 C LYS A 32 -2.953 11.387 0.026 1.00 0.00 C ATOM 479 O LYS A 32 -2.640 10.738 -0.971 1.00 0.00 O ATOM 480 CB LYS A 32 -5.357 11.116 0.869 1.00 0.00 C ATOM 481 CG LYS A 32 -5.890 10.441 -0.396 1.00 0.00 C ATOM 482 CD LYS A 32 -7.201 9.704 -0.114 1.00 0.00 C ATOM 483 CE LYS A 32 -8.384 10.420 -0.768 1.00 0.00 C ATOM 484 NZ LYS A 32 -8.793 9.720 -2.006 1.00 0.00 N ATOM 0 H LYS A 32 -3.886 12.079 2.733 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.801 9.701 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.937 10.789 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.484 12.196 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.049 11.189 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.149 9.739 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.136 8.683 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.361 9.638 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.222 10.460 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.111 11.450 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.597 10.219 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.997 9.703 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.073 8.745 -1.777 1.00 0.00 H new ATOM 498 N GLY A 33 -2.539 12.620 0.279 1.00 0.00 N ATOM 499 CA GLY A 33 -1.656 13.317 -0.640 1.00 0.00 C ATOM 500 C GLY A 33 -0.370 12.520 -0.874 1.00 0.00 C ATOM 501 O GLY A 33 0.029 12.300 -2.016 1.00 0.00 O ATOM 0 H GLY A 33 -2.799 13.154 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.167 13.478 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.411 14.301 -0.239 1.00 0.00 H new ATOM 505 N PRO A 34 0.259 12.101 0.257 1.00 0.00 N ATOM 506 CA PRO A 34 1.491 11.334 0.186 1.00 0.00 C ATOM 507 C PRO A 34 1.215 9.890 -0.238 1.00 0.00 C ATOM 508 O PRO A 34 1.949 9.326 -1.049 1.00 0.00 O ATOM 509 CB PRO A 34 2.100 11.439 1.575 1.00 0.00 C ATOM 510 CG PRO A 34 0.967 11.865 2.495 1.00 0.00 C ATOM 511 CD PRO A 34 -0.184 12.344 1.626 1.00 0.00 C ATOM 0 HA PRO A 34 2.181 11.715 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.521 10.484 1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.912 12.167 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.651 11.031 3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.297 12.660 3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.101 11.799 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.393 13.401 1.793 1.00 0.00 H new ATOM 519 N TRP A 35 0.156 9.333 0.329 1.00 0.00 N ATOM 520 CA TRP A 35 -0.226 7.965 0.020 1.00 0.00 C ATOM 521 C TRP A 35 -0.255 7.815 -1.502 1.00 0.00 C ATOM 522 O TRP A 35 0.160 6.788 -2.036 1.00 0.00 O ATOM 523 CB TRP A 35 -1.558 7.605 0.681 1.00 0.00 C ATOM 524 CG TRP A 35 -2.140 6.267 0.221 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.916 6.028 -0.845 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.959 4.985 0.859 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.248 4.692 -0.940 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.647 4.037 0.130 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.237 4.639 2.015 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.681 2.681 0.475 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.282 3.279 2.347 1.00 0.00 C ATOM 532 CH2 TRP A 35 -1.970 2.312 1.623 1.00 0.00 C ATOM 0 H TRP A 35 -0.450 9.804 1.001 1.00 0.00 H new ATOM 0 HA TRP A 35 0.500 7.261 0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.419 7.577 1.762 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.280 8.394 0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.241 6.786 -1.542 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.827 4.264 -1.662 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.691 5.364 2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.227 1.958 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.744 2.959 3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.956 1.281 1.945 1.00 0.00 H new ATOM 543 N ARG A 36 -0.749 8.855 -2.158 1.00 0.00 N ATOM 544 CA ARG A 36 -0.837 8.852 -3.609 1.00 0.00 C ATOM 545 C ARG A 36 0.539 9.115 -4.225 1.00 0.00 C ATOM 546 O ARG A 36 0.973 8.387 -5.117 1.00 0.00 O ATOM 547 CB ARG A 36 -1.821 9.914 -4.103 1.00 0.00 C ATOM 548 CG ARG A 36 -2.067 9.776 -5.607 1.00 0.00 C ATOM 549 CD ARG A 36 -3.366 10.473 -6.016 1.00 0.00 C ATOM 550 NE ARG A 36 -3.064 11.663 -6.842 1.00 0.00 N ATOM 551 CZ ARG A 36 -3.935 12.654 -7.079 1.00 0.00 C ATOM 552 NH1 ARG A 36 -5.166 12.603 -6.553 1.00 0.00 N ATOM 553 NH2 ARG A 36 -3.574 13.695 -7.841 1.00 0.00 N ATOM 0 H ARG A 36 -1.092 9.705 -1.712 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.195 7.870 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.765 9.818 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.429 10.907 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.230 10.207 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.116 8.721 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.998 9.783 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.925 10.769 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.135 11.734 -7.257 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.440 11.810 -5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.829 13.357 -6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.636 13.733 -8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.237 14.449 -8.021 1.00 0.00 H new ATOM 567 N THR A 37 1.187 10.156 -3.724 1.00 0.00 N ATOM 568 CA THR A 37 2.505 10.524 -4.214 1.00 0.00 C ATOM 569 C THR A 37 3.462 9.335 -4.112 1.00 0.00 C ATOM 570 O THR A 37 4.186 9.034 -5.060 1.00 0.00 O ATOM 571 CB THR A 37 2.974 11.752 -3.431 1.00 0.00 C ATOM 572 OG1 THR A 37 2.238 12.830 -4.002 1.00 0.00 O ATOM 573 CG2 THR A 37 4.435 12.105 -3.718 1.00 0.00 C ATOM 0 H THR A 37 0.824 10.757 -2.984 1.00 0.00 H new ATOM 0 HA THR A 37 2.476 10.787 -5.271 1.00 0.00 H new ATOM 0 HB THR A 37 2.846 11.573 -2.363 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.376 12.917 -3.543 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.718 12.983 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.073 11.266 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.556 12.318 -4.780 1.00 0.00 H new ATOM 581 N PHE A 38 3.435 8.692 -2.954 1.00 0.00 N ATOM 582 CA PHE A 38 4.292 7.543 -2.716 1.00 0.00 C ATOM 583 C PHE A 38 4.049 6.452 -3.761 1.00 0.00 C ATOM 584 O PHE A 38 4.988 5.795 -4.207 1.00 0.00 O ATOM 585 CB PHE A 38 3.934 6.997 -1.333 1.00 0.00 C ATOM 586 CG PHE A 38 4.483 7.830 -0.173 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.750 8.322 -0.230 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.705 8.079 0.914 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.260 9.096 0.846 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.215 8.853 1.990 1.00 0.00 C ATOM 591 CZ PHE A 38 5.481 9.345 1.934 1.00 0.00 C ATOM 0 H PHE A 38 2.833 8.945 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 38 5.339 7.840 -2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.849 6.942 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.313 5.979 -1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.368 8.124 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.699 7.688 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.266 9.487 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.597 9.051 2.853 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.869 9.933 2.753 1.00 0.00 H new ATOM 601 N CYS A 39 2.783 6.293 -4.120 1.00 0.00 N ATOM 602 CA CYS A 39 2.405 5.293 -5.104 1.00 0.00 C ATOM 603 C CYS A 39 2.359 5.964 -6.478 1.00 0.00 C ATOM 604 O CYS A 39 1.877 5.375 -7.444 1.00 0.00 O ATOM 605 CB CYS A 39 1.074 4.626 -4.749 1.00 0.00 C ATOM 606 SG CYS A 39 0.648 3.370 -6.010 1.00 0.00 S ATOM 0 H CYS A 39 2.007 6.840 -3.747 1.00 0.00 H new ATOM 0 HA CYS A 39 3.145 4.493 -5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.143 4.159 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.286 5.377 -4.690 1.00 0.00 H new ATOM 0 HG CYS A 39 1.094 3.751 -7.170 1.00 0.00 H new ATOM 612 N ALA A 40 2.868 7.186 -6.521 1.00 0.00 N ATOM 613 CA ALA A 40 2.891 7.944 -7.761 1.00 0.00 C ATOM 614 C ALA A 40 4.212 7.683 -8.488 1.00 0.00 C ATOM 615 O ALA A 40 4.222 7.134 -9.588 1.00 0.00 O ATOM 616 CB ALA A 40 2.675 9.428 -7.457 1.00 0.00 C ATOM 0 H ALA A 40 3.268 7.671 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 40 2.083 7.626 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.692 9.996 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.710 9.562 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.468 9.784 -6.800 1.00 0.00 H new ATOM 622 N SER A 41 5.296 8.091 -7.843 1.00 0.00 N ATOM 623 CA SER A 41 6.619 7.909 -8.414 1.00 0.00 C ATOM 624 C SER A 41 7.657 7.776 -7.298 1.00 0.00 C ATOM 625 O SER A 41 8.777 8.269 -7.424 1.00 0.00 O ATOM 626 CB SER A 41 6.983 9.070 -9.341 1.00 0.00 C ATOM 627 OG SER A 41 7.334 8.620 -10.647 1.00 0.00 O ATOM 0 H SER A 41 5.284 8.547 -6.931 1.00 0.00 H new ATOM 0 HA SER A 41 6.613 6.994 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.140 9.758 -9.409 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.816 9.628 -8.914 1.00 0.00 H new ATOM 0 HG SER A 41 7.558 9.391 -11.209 1.00 0.00 H new ATOM 633 N GLU A 42 7.248 7.107 -6.230 1.00 0.00 N ATOM 634 CA GLU A 42 8.128 6.903 -5.092 1.00 0.00 C ATOM 635 C GLU A 42 8.418 5.412 -4.906 1.00 0.00 C ATOM 636 O GLU A 42 9.576 5.009 -4.803 1.00 0.00 O ATOM 637 CB GLU A 42 7.530 7.508 -3.820 1.00 0.00 C ATOM 638 CG GLU A 42 8.624 7.836 -2.802 1.00 0.00 C ATOM 639 CD GLU A 42 9.206 9.229 -3.053 1.00 0.00 C ATOM 640 OE1 GLU A 42 9.724 9.435 -4.172 1.00 0.00 O ATOM 641 OE2 GLU A 42 9.120 10.057 -2.120 1.00 0.00 O ATOM 0 H GLU A 42 6.319 6.699 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 42 9.070 7.415 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.977 8.414 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.817 6.810 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.214 7.785 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.417 7.090 -2.862 1.00 0.00 H new ATOM 648 N TRP A 43 7.347 4.634 -4.868 1.00 0.00 N ATOM 649 CA TRP A 43 7.471 3.196 -4.697 1.00 0.00 C ATOM 650 C TRP A 43 7.944 2.601 -6.024 1.00 0.00 C ATOM 651 O TRP A 43 8.833 1.750 -6.046 1.00 0.00 O ATOM 652 CB TRP A 43 6.158 2.587 -4.202 1.00 0.00 C ATOM 653 CG TRP A 43 5.883 2.823 -2.716 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.763 3.127 -1.752 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.600 2.761 -2.058 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.144 3.265 -0.527 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.786 3.036 -0.719 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.324 2.482 -2.578 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.741 3.059 0.212 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.289 2.509 -1.635 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.460 2.784 -0.284 1.00 0.00 C ATOM 0 H TRP A 43 6.388 4.972 -4.953 1.00 0.00 H new ATOM 0 HA TRP A 43 8.208 2.961 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.335 3.002 -4.784 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.173 1.514 -4.392 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.824 3.249 -1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.599 3.493 0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.155 2.264 -3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.913 3.277 1.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.288 2.301 -1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.609 2.786 0.381 1.00 0.00 H new ATOM 672 N PRO A 44 7.313 3.083 -7.128 1.00 0.00 N ATOM 673 CA PRO A 44 7.660 2.608 -8.456 1.00 0.00 C ATOM 674 C PRO A 44 8.994 3.198 -8.919 1.00 0.00 C ATOM 675 O PRO A 44 9.441 2.933 -10.034 1.00 0.00 O ATOM 676 CB PRO A 44 6.492 3.017 -9.338 1.00 0.00 C ATOM 677 CG PRO A 44 5.755 4.106 -8.575 1.00 0.00 C ATOM 678 CD PRO A 44 6.256 4.091 -7.141 1.00 0.00 C ATOM 0 HA PRO A 44 7.809 1.529 -8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.841 3.384 -10.303 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.837 2.169 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.934 5.080 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.679 3.932 -8.605 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.637 5.068 -6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.457 3.836 -6.445 1.00 0.00 H new ATOM 686 N THR A 45 9.593 3.986 -8.039 1.00 0.00 N ATOM 687 CA THR A 45 10.866 4.616 -8.343 1.00 0.00 C ATOM 688 C THR A 45 11.970 4.043 -7.451 1.00 0.00 C ATOM 689 O THR A 45 13.059 4.610 -7.364 1.00 0.00 O ATOM 690 CB THR A 45 10.692 6.129 -8.198 1.00 0.00 C ATOM 691 OG1 THR A 45 9.977 6.281 -6.975 1.00 0.00 O ATOM 692 CG2 THR A 45 9.752 6.714 -9.254 1.00 0.00 C ATOM 0 H THR A 45 9.220 4.203 -7.115 1.00 0.00 H new ATOM 0 HA THR A 45 11.176 4.407 -9.367 1.00 0.00 H new ATOM 0 HB THR A 45 11.665 6.614 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.339 5.663 -6.306 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.663 7.790 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.153 6.516 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.769 6.253 -9.161 1.00 0.00 H new ATOM 700 N PHE A 46 11.652 2.927 -6.813 1.00 0.00 N ATOM 701 CA PHE A 46 12.603 2.272 -5.931 1.00 0.00 C ATOM 702 C PHE A 46 13.394 1.198 -6.680 1.00 0.00 C ATOM 703 O PHE A 46 14.163 0.452 -6.075 1.00 0.00 O ATOM 704 CB PHE A 46 11.794 1.608 -4.815 1.00 0.00 C ATOM 705 CG PHE A 46 11.432 2.549 -3.665 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.621 3.889 -3.797 1.00 0.00 C ATOM 707 CD2 PHE A 46 10.921 2.045 -2.509 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.285 4.762 -2.729 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.584 2.918 -1.441 1.00 0.00 C ATOM 710 CZ PHE A 46 10.773 4.259 -1.574 1.00 0.00 C ATOM 0 H PHE A 46 10.749 2.459 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 46 13.312 3.002 -5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.877 1.199 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.364 0.768 -4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.027 4.289 -4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.772 0.981 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.436 5.826 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.178 2.518 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.516 4.924 -0.762 1.00 0.00 H new ATOM 720 N ASP A 47 13.179 1.153 -7.987 1.00 0.00 N ATOM 721 CA ASP A 47 13.862 0.182 -8.825 1.00 0.00 C ATOM 722 C ASP A 47 13.678 -1.216 -8.233 1.00 0.00 C ATOM 723 O ASP A 47 14.634 -1.984 -8.134 1.00 0.00 O ATOM 724 CB ASP A 47 15.363 0.473 -8.892 1.00 0.00 C ATOM 725 CG ASP A 47 16.034 0.103 -10.216 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.323 0.142 -11.244 1.00 0.00 O ATOM 727 OD2 ASP A 47 17.243 -0.211 -10.171 1.00 0.00 O ATOM 0 H ASP A 47 12.541 1.773 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 47 13.437 0.243 -9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.521 1.535 -8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.859 -0.068 -8.087 1.00 0.00 H new ATOM 732 N VAL A 48 12.441 -1.505 -7.854 1.00 0.00 N ATOM 733 CA VAL A 48 12.119 -2.798 -7.275 1.00 0.00 C ATOM 734 C VAL A 48 11.157 -3.543 -8.202 1.00 0.00 C ATOM 735 O VAL A 48 11.058 -4.767 -8.146 1.00 0.00 O ATOM 736 CB VAL A 48 11.564 -2.614 -5.861 1.00 0.00 C ATOM 737 CG1 VAL A 48 10.911 -1.239 -5.703 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.582 -3.732 -5.507 1.00 0.00 C ATOM 0 H VAL A 48 11.650 -0.866 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 48 13.017 -3.408 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 48 12.400 -2.670 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.525 -1.134 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.651 -0.461 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.092 -1.141 -6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.203 -3.577 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.751 -3.723 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.092 -4.694 -5.559 1.00 0.00 H new ATOM 748 N GLY A 49 10.472 -2.771 -9.034 1.00 0.00 N ATOM 749 CA GLY A 49 9.521 -3.343 -9.972 1.00 0.00 C ATOM 750 C GLY A 49 8.095 -2.890 -9.652 1.00 0.00 C ATOM 751 O GLY A 49 7.140 -3.336 -10.286 1.00 0.00 O ATOM 0 H GLY A 49 10.557 -1.755 -9.078 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.782 -3.045 -10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.578 -4.431 -9.935 1.00 0.00 H new ATOM 755 N TRP A 50 7.995 -2.009 -8.667 1.00 0.00 N ATOM 756 CA TRP A 50 6.702 -1.490 -8.255 1.00 0.00 C ATOM 757 C TRP A 50 6.156 -0.623 -9.391 1.00 0.00 C ATOM 758 O TRP A 50 6.847 0.266 -9.885 1.00 0.00 O ATOM 759 CB TRP A 50 6.811 -0.738 -6.927 1.00 0.00 C ATOM 760 CG TRP A 50 5.503 -0.087 -6.472 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.958 1.059 -6.902 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.592 -0.595 -5.474 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.768 1.327 -6.257 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.538 0.289 -5.361 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.656 -1.762 -4.693 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.469 0.098 -4.477 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.580 -1.938 -3.815 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.512 -1.058 -3.689 1.00 0.00 C ATOM 0 H TRP A 50 8.789 -1.642 -8.142 1.00 0.00 H new ATOM 0 HA TRP A 50 6.001 -2.304 -8.071 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.148 -1.430 -6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.576 0.033 -7.019 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.395 1.693 -7.659 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.168 2.137 -6.409 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.471 -2.467 -4.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.655 0.805 -4.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.580 -2.820 -3.192 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.719 -1.265 -2.986 1.00 0.00 H new ATOM 779 N PRO A 51 4.888 -0.920 -9.782 1.00 0.00 N ATOM 780 CA PRO A 51 4.241 -0.178 -10.851 1.00 0.00 C ATOM 781 C PRO A 51 3.805 1.208 -10.370 1.00 0.00 C ATOM 782 O PRO A 51 3.780 1.473 -9.169 1.00 0.00 O ATOM 783 CB PRO A 51 3.074 -1.050 -11.285 1.00 0.00 C ATOM 784 CG PRO A 51 2.832 -2.022 -10.142 1.00 0.00 C ATOM 785 CD PRO A 51 4.039 -1.966 -9.220 1.00 0.00 C ATOM 0 HA PRO A 51 4.908 0.018 -11.690 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.187 -0.447 -11.479 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.306 -1.582 -12.208 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.925 -1.756 -9.600 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.690 -3.033 -10.524 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.745 -1.730 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.559 -2.924 -9.190 1.00 0.00 H new ATOM 793 N PRO A 52 3.464 2.078 -11.358 1.00 0.00 N ATOM 794 CA PRO A 52 3.031 3.430 -11.048 1.00 0.00 C ATOM 795 C PRO A 52 1.601 3.436 -10.502 1.00 0.00 C ATOM 796 O PRO A 52 1.277 4.219 -9.611 1.00 0.00 O ATOM 797 CB PRO A 52 3.172 4.197 -12.352 1.00 0.00 C ATOM 798 CG PRO A 52 3.233 3.147 -13.449 1.00 0.00 C ATOM 799 CD PRO A 52 3.482 1.799 -12.791 1.00 0.00 C ATOM 0 HA PRO A 52 3.628 3.893 -10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.328 4.870 -12.502 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.073 4.811 -12.349 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.301 3.130 -14.013 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.029 3.380 -14.156 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.712 1.077 -13.064 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.438 1.378 -13.101 1.00 0.00 H new ATOM 807 N GLU A 53 0.785 2.554 -11.060 1.00 0.00 N ATOM 808 CA GLU A 53 -0.602 2.447 -10.640 1.00 0.00 C ATOM 809 C GLU A 53 -0.691 1.778 -9.267 1.00 0.00 C ATOM 810 O GLU A 53 -1.585 2.085 -8.480 1.00 0.00 O ATOM 811 CB GLU A 53 -1.431 1.687 -11.677 1.00 0.00 C ATOM 812 CG GLU A 53 -1.601 2.510 -12.955 1.00 0.00 C ATOM 813 CD GLU A 53 -0.282 2.610 -13.722 1.00 0.00 C ATOM 814 OE1 GLU A 53 0.215 1.541 -14.138 1.00 0.00 O ATOM 815 OE2 GLU A 53 0.201 3.753 -13.876 1.00 0.00 O ATOM 0 H GLU A 53 1.058 1.907 -11.800 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.016 3.452 -10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.945 0.740 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.410 1.449 -11.261 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.360 2.052 -13.589 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.956 3.509 -12.704 1.00 0.00 H new ATOM 822 N GLY A 54 0.248 0.875 -9.023 1.00 0.00 N ATOM 823 CA GLY A 54 0.286 0.160 -7.759 1.00 0.00 C ATOM 824 C GLY A 54 0.123 -1.346 -7.976 1.00 0.00 C ATOM 825 O GLY A 54 -0.185 -1.787 -9.082 1.00 0.00 O ATOM 0 H GLY A 54 0.987 0.623 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.231 0.358 -7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.507 0.525 -7.107 1.00 0.00 H new ATOM 829 N THR A 55 0.336 -2.093 -6.903 1.00 0.00 N ATOM 830 CA THR A 55 0.217 -3.540 -6.962 1.00 0.00 C ATOM 831 C THR A 55 0.062 -4.120 -5.555 1.00 0.00 C ATOM 832 O THR A 55 0.602 -3.577 -4.592 1.00 0.00 O ATOM 833 CB THR A 55 1.433 -4.084 -7.714 1.00 0.00 C ATOM 834 OG1 THR A 55 1.130 -5.463 -7.912 1.00 0.00 O ATOM 835 CG2 THR A 55 2.696 -4.101 -6.850 1.00 0.00 C ATOM 0 H THR A 55 0.590 -1.723 -5.987 1.00 0.00 H new ATOM 0 HA THR A 55 -0.679 -3.842 -7.504 1.00 0.00 H new ATOM 0 HB THR A 55 1.610 -3.480 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.866 -5.894 -8.395 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.529 -4.496 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.928 -3.087 -6.525 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.531 -4.733 -5.977 1.00 0.00 H new ATOM 843 N PHE A 56 -0.677 -5.218 -5.480 1.00 0.00 N ATOM 844 CA PHE A 56 -0.909 -5.878 -4.207 1.00 0.00 C ATOM 845 C PHE A 56 -0.057 -7.142 -4.081 1.00 0.00 C ATOM 846 O PHE A 56 -0.499 -8.139 -3.511 1.00 0.00 O ATOM 847 CB PHE A 56 -2.388 -6.268 -4.168 1.00 0.00 C ATOM 848 CG PHE A 56 -3.332 -5.100 -3.874 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.325 -4.513 -2.647 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.178 -4.650 -4.838 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.201 -3.429 -2.374 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.054 -3.566 -4.565 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.047 -2.979 -3.338 1.00 0.00 C ATOM 0 H PHE A 56 -1.123 -5.667 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.643 -5.210 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.662 -6.711 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.531 -7.037 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.654 -4.871 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.184 -5.117 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.195 -2.962 -1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.725 -3.208 -5.331 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.714 -2.155 -3.130 1.00 0.00 H new ATOM 863 N ASP A 57 1.149 -7.061 -4.623 1.00 0.00 N ATOM 864 CA ASP A 57 2.067 -8.186 -4.579 1.00 0.00 C ATOM 865 C ASP A 57 2.965 -8.059 -3.347 1.00 0.00 C ATOM 866 O ASP A 57 3.824 -7.180 -3.289 1.00 0.00 O ATOM 867 CB ASP A 57 2.965 -8.214 -5.818 1.00 0.00 C ATOM 868 CG ASP A 57 3.696 -9.536 -6.057 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.521 -10.442 -5.214 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.414 -9.611 -7.077 1.00 0.00 O ATOM 0 H ASP A 57 1.512 -6.233 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 57 1.476 -9.101 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.357 -7.989 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.704 -7.418 -5.730 1.00 0.00 H new ATOM 875 N LEU A 58 2.735 -8.949 -2.392 1.00 0.00 N ATOM 876 CA LEU A 58 3.513 -8.946 -1.165 1.00 0.00 C ATOM 877 C LEU A 58 5.002 -8.879 -1.509 1.00 0.00 C ATOM 878 O LEU A 58 5.765 -8.179 -0.846 1.00 0.00 O ATOM 879 CB LEU A 58 3.138 -10.145 -0.291 1.00 0.00 C ATOM 880 CG LEU A 58 3.095 -9.889 1.217 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.741 -9.314 1.637 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.447 -11.156 1.998 1.00 0.00 C ATOM 0 H LEU A 58 2.022 -9.676 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 58 3.283 -8.062 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.159 -10.507 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.851 -10.947 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 58 3.851 -9.142 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.737 -9.141 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.569 -8.371 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.951 -10.019 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.409 -10.947 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.732 -11.943 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.451 -11.483 1.728 1.00 0.00 H new ATOM 894 N THR A 59 5.371 -9.615 -2.547 1.00 0.00 N ATOM 895 CA THR A 59 6.755 -9.648 -2.988 1.00 0.00 C ATOM 896 C THR A 59 7.248 -8.233 -3.300 1.00 0.00 C ATOM 897 O THR A 59 8.304 -7.821 -2.824 1.00 0.00 O ATOM 898 CB THR A 59 6.849 -10.601 -4.180 1.00 0.00 C ATOM 899 OG1 THR A 59 6.483 -11.869 -3.641 1.00 0.00 O ATOM 900 CG2 THR A 59 8.289 -10.801 -4.658 1.00 0.00 C ATOM 0 H THR A 59 4.735 -10.194 -3.096 1.00 0.00 H new ATOM 0 HA THR A 59 7.412 -10.022 -2.203 1.00 0.00 H new ATOM 0 HB THR A 59 6.244 -10.216 -5.001 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.516 -12.547 -4.348 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.299 -11.486 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.708 -9.842 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.887 -11.218 -3.847 1.00 0.00 H new ATOM 908 N VAL A 60 6.459 -7.529 -4.099 1.00 0.00 N ATOM 909 CA VAL A 60 6.803 -6.170 -4.481 1.00 0.00 C ATOM 910 C VAL A 60 6.666 -5.253 -3.264 1.00 0.00 C ATOM 911 O VAL A 60 7.481 -4.353 -3.066 1.00 0.00 O ATOM 912 CB VAL A 60 5.941 -5.725 -5.664 1.00 0.00 C ATOM 913 CG1 VAL A 60 6.371 -4.346 -6.168 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.982 -6.759 -6.792 1.00 0.00 C ATOM 0 H VAL A 60 5.583 -7.874 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 60 7.840 -6.117 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 60 4.910 -5.648 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.742 -4.054 -7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.266 -3.616 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.412 -4.384 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.361 -6.418 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.009 -6.883 -7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.605 -7.713 -6.425 1.00 0.00 H new ATOM 924 N ILE A 61 5.630 -5.513 -2.480 1.00 0.00 N ATOM 925 CA ILE A 61 5.376 -4.723 -1.288 1.00 0.00 C ATOM 926 C ILE A 61 6.558 -4.863 -0.327 1.00 0.00 C ATOM 927 O ILE A 61 7.128 -3.865 0.112 1.00 0.00 O ATOM 928 CB ILE A 61 4.031 -5.105 -0.668 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.872 -4.470 -1.439 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.992 -4.750 0.820 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.527 -5.023 -0.961 1.00 0.00 C ATOM 0 H ILE A 61 4.956 -6.260 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 61 5.295 -3.666 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 61 3.915 -6.186 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.892 -3.388 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.991 -4.663 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.025 -5.032 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.783 -5.288 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.141 -3.677 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.720 -4.555 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.501 -6.101 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.401 -4.807 0.100 1.00 0.00 H new ATOM 943 N PHE A 62 6.892 -6.110 -0.028 1.00 0.00 N ATOM 944 CA PHE A 62 7.996 -6.394 0.873 1.00 0.00 C ATOM 945 C PHE A 62 9.275 -5.693 0.410 1.00 0.00 C ATOM 946 O PHE A 62 10.022 -5.156 1.226 1.00 0.00 O ATOM 947 CB PHE A 62 8.219 -7.907 0.844 1.00 0.00 C ATOM 948 CG PHE A 62 7.588 -8.651 2.023 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.239 -8.641 2.191 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.378 -9.323 2.904 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.654 -9.332 3.285 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.793 -10.013 3.999 1.00 0.00 C ATOM 953 CZ PHE A 62 6.443 -10.003 4.166 1.00 0.00 C ATOM 0 H PHE A 62 6.417 -6.935 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 62 7.760 -6.037 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.811 -8.306 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.291 -8.106 0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.612 -8.107 1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.450 -9.332 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.582 -9.325 3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.420 -10.546 4.699 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.998 -10.528 4.998 1.00 0.00 H new ATOM 963 N GLU A 63 9.488 -5.723 -0.897 1.00 0.00 N ATOM 964 CA GLU A 63 10.664 -5.097 -1.478 1.00 0.00 C ATOM 965 C GLU A 63 10.698 -3.607 -1.133 1.00 0.00 C ATOM 966 O GLU A 63 11.697 -3.107 -0.619 1.00 0.00 O ATOM 967 CB GLU A 63 10.707 -5.311 -2.992 1.00 0.00 C ATOM 968 CG GLU A 63 11.110 -6.747 -3.332 1.00 0.00 C ATOM 969 CD GLU A 63 12.576 -7.004 -2.977 1.00 0.00 C ATOM 970 OE1 GLU A 63 13.425 -6.761 -3.861 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.814 -7.438 -1.829 1.00 0.00 O ATOM 0 H GLU A 63 8.866 -6.171 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 63 11.550 -5.568 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.729 -5.093 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.415 -4.615 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.473 -7.445 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.952 -6.931 -4.395 1.00 0.00 H new ATOM 978 N VAL A 64 9.593 -2.939 -1.430 1.00 0.00 N ATOM 979 CA VAL A 64 9.483 -1.516 -1.157 1.00 0.00 C ATOM 980 C VAL A 64 9.415 -1.294 0.355 1.00 0.00 C ATOM 981 O VAL A 64 9.940 -0.306 0.866 1.00 0.00 O ATOM 982 CB VAL A 64 8.281 -0.931 -1.902 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.927 0.458 -1.367 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.538 -0.889 -3.410 1.00 0.00 C ATOM 0 H VAL A 64 8.766 -3.357 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 64 10.364 -0.988 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 64 7.427 -1.585 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.070 0.851 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.681 0.388 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.778 1.126 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.668 -0.469 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.411 -0.268 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.718 -1.900 -3.777 1.00 0.00 H new ATOM 994 N LYS A 65 8.762 -2.229 1.029 1.00 0.00 N ATOM 995 CA LYS A 65 8.618 -2.149 2.473 1.00 0.00 C ATOM 996 C LYS A 65 10.003 -2.193 3.122 1.00 0.00 C ATOM 997 O LYS A 65 10.302 -1.394 4.009 1.00 0.00 O ATOM 998 CB LYS A 65 7.667 -3.235 2.978 1.00 0.00 C ATOM 999 CG LYS A 65 7.564 -3.208 4.504 1.00 0.00 C ATOM 1000 CD LYS A 65 6.995 -4.523 5.039 1.00 0.00 C ATOM 1001 CE LYS A 65 7.778 -5.002 6.263 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.314 -6.363 6.036 1.00 0.00 N ATOM 0 H LYS A 65 8.326 -3.046 0.602 1.00 0.00 H new ATOM 0 HA LYS A 65 8.162 -1.201 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.679 -3.090 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.020 -4.213 2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.549 -3.032 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.928 -2.379 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.946 -4.389 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.032 -5.283 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.596 -4.313 6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.130 -5.002 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.843 -6.673 6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.528 -7.021 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.949 -6.353 5.212 1.00 0.00 H new ATOM 1016 N ALA A 66 10.810 -3.135 2.656 1.00 0.00 N ATOM 1017 CA ALA A 66 12.156 -3.294 3.181 1.00 0.00 C ATOM 1018 C ALA A 66 12.960 -2.022 2.903 1.00 0.00 C ATOM 1019 O ALA A 66 13.929 -1.731 3.603 1.00 0.00 O ATOM 1020 CB ALA A 66 12.800 -4.537 2.566 1.00 0.00 C ATOM 0 H ALA A 66 10.558 -3.796 1.921 1.00 0.00 H new ATOM 0 HA ALA A 66 12.133 -3.440 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.809 -4.656 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.206 -5.416 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.844 -4.426 1.483 1.00 0.00 H new ATOM 1026 N ILE A 67 12.529 -1.299 1.880 1.00 0.00 N ATOM 1027 CA ILE A 67 13.197 -0.066 1.501 1.00 0.00 C ATOM 1028 C ILE A 67 12.811 1.041 2.484 1.00 0.00 C ATOM 1029 O ILE A 67 13.647 1.860 2.863 1.00 0.00 O ATOM 1030 CB ILE A 67 12.900 0.278 0.040 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.566 -0.724 -0.906 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.300 1.720 -0.277 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.001 -0.601 -2.322 1.00 0.00 C ATOM 0 H ILE A 67 11.725 -1.544 1.302 1.00 0.00 H new ATOM 0 HA ILE A 67 14.279 -0.185 1.562 1.00 0.00 H new ATOM 0 HB ILE A 67 11.824 0.202 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.642 -0.552 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.411 -1.737 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.078 1.938 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.740 2.402 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.367 1.849 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.492 -1.324 -2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.929 -0.797 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.179 0.406 -2.699 1.00 0.00 H new ATOM 1045 N VAL A 68 11.543 1.031 2.869 1.00 0.00 N ATOM 1046 CA VAL A 68 11.036 2.024 3.800 1.00 0.00 C ATOM 1047 C VAL A 68 11.394 1.607 5.228 1.00 0.00 C ATOM 1048 O VAL A 68 11.527 2.454 6.111 1.00 0.00 O ATOM 1049 CB VAL A 68 9.532 2.216 3.593 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.179 2.212 2.104 1.00 0.00 C ATOM 1051 CG2 VAL A 68 8.734 1.151 4.349 1.00 0.00 C ATOM 0 H VAL A 68 10.852 0.351 2.553 1.00 0.00 H new ATOM 0 HA VAL A 68 11.502 2.992 3.617 1.00 0.00 H new ATOM 0 HB VAL A 68 9.259 3.190 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.104 2.350 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.707 3.023 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.474 1.260 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.668 1.310 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.013 0.162 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.952 1.222 5.415 1.00 0.00 H new ATOM 1061 N PHE A 69 11.541 0.303 5.411 1.00 0.00 N ATOM 1062 CA PHE A 69 11.881 -0.236 6.717 1.00 0.00 C ATOM 1063 C PHE A 69 13.370 -0.580 6.797 1.00 0.00 C ATOM 1064 O PHE A 69 13.755 -1.531 7.476 1.00 0.00 O ATOM 1065 CB PHE A 69 11.063 -1.516 6.899 1.00 0.00 C ATOM 1066 CG PHE A 69 9.658 -1.282 7.457 1.00 0.00 C ATOM 1067 CD1 PHE A 69 8.632 -0.985 6.614 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.434 -1.370 8.795 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.328 -0.768 7.131 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.129 -1.153 9.313 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.104 -0.856 8.470 1.00 0.00 C ATOM 0 H PHE A 69 11.431 -0.396 4.677 1.00 0.00 H new ATOM 0 HA PHE A 69 11.663 0.499 7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.981 -2.023 5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.602 -2.187 7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.810 -0.914 5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.248 -1.605 9.464 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.514 -0.533 6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.951 -1.224 10.376 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.112 -0.690 8.864 1.00 0.00 H new ATOM 1081 N GLN A 70 14.166 0.212 6.094 1.00 0.00 N ATOM 1082 CA GLN A 70 15.604 0.002 6.076 1.00 0.00 C ATOM 1083 C GLN A 70 16.192 0.240 7.469 1.00 0.00 C ATOM 1084 O GLN A 70 15.464 0.559 8.408 1.00 0.00 O ATOM 1085 CB GLN A 70 16.276 0.902 5.037 1.00 0.00 C ATOM 1086 CG GLN A 70 16.221 0.268 3.646 1.00 0.00 C ATOM 1087 CD GLN A 70 17.443 0.662 2.814 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.553 0.771 3.308 1.00 0.00 O ATOM 1089 NE2 GLN A 70 17.178 0.869 1.527 1.00 0.00 N ATOM 0 H GLN A 70 13.843 1.000 5.533 1.00 0.00 H new ATOM 0 HA GLN A 70 15.797 -1.033 5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.782 1.873 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 70 17.314 1.078 5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.175 -0.817 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.312 0.583 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.226 0.760 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.927 1.136 0.889 1.00 0.00 H new ATOM 1098 N ASP A 71 17.503 0.074 7.559 1.00 0.00 N ATOM 1099 CA ASP A 71 18.197 0.267 8.821 1.00 0.00 C ATOM 1100 C ASP A 71 19.191 1.421 8.681 1.00 0.00 C ATOM 1101 O ASP A 71 20.145 1.520 9.451 1.00 0.00 O ATOM 1102 CB ASP A 71 18.980 -0.987 9.216 1.00 0.00 C ATOM 1103 CG ASP A 71 19.388 -1.058 10.688 1.00 0.00 C ATOM 1104 OD1 ASP A 71 18.478 -0.929 11.536 1.00 0.00 O ATOM 1105 OD2 ASP A 71 20.600 -1.240 10.934 1.00 0.00 O ATOM 0 H ASP A 71 18.103 -0.192 6.778 1.00 0.00 H new ATOM 0 HA ASP A 71 17.451 0.483 9.586 1.00 0.00 H new ATOM 0 HB2 ASP A 71 18.377 -1.863 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 71 19.879 -1.044 8.602 1.00 0.00 H new ATOM 1110 N GLY A 72 18.934 2.265 7.693 1.00 0.00 N ATOM 1111 CA GLY A 72 19.794 3.408 7.442 1.00 0.00 C ATOM 1112 C GLY A 72 18.970 4.645 7.079 1.00 0.00 C ATOM 1113 O GLY A 72 17.783 4.719 7.393 1.00 0.00 O ATOM 0 H GLY A 72 18.142 2.180 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.397 3.615 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.485 3.176 6.632 1.00 0.00 H new ATOM 1117 N PRO A 73 19.650 5.611 6.405 1.00 0.00 N ATOM 1118 CA PRO A 73 18.994 6.842 5.996 1.00 0.00 C ATOM 1119 C PRO A 73 18.077 6.601 4.795 1.00 0.00 C ATOM 1120 O PRO A 73 17.385 7.513 4.345 1.00 0.00 O ATOM 1121 CB PRO A 73 20.126 7.810 5.694 1.00 0.00 C ATOM 1122 CG PRO A 73 21.366 6.953 5.496 1.00 0.00 C ATOM 1123 CD PRO A 73 21.056 5.558 6.016 1.00 0.00 C ATOM 0 HA PRO A 73 18.338 7.246 6.767 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.910 8.397 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 73 20.266 8.515 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.640 6.915 4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 73 22.215 7.380 6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.226 4.803 5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.692 5.301 6.863 1.00 0.00 H new ATOM 1131 N GLY A 74 18.102 5.368 4.310 1.00 0.00 N ATOM 1132 CA GLY A 74 17.281 4.995 3.170 1.00 0.00 C ATOM 1133 C GLY A 74 15.840 4.715 3.600 1.00 0.00 C ATOM 1134 O GLY A 74 14.898 5.054 2.886 1.00 0.00 O ATOM 0 H GLY A 74 18.678 4.615 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.294 5.795 2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.699 4.110 2.690 1.00 0.00 H new ATOM 1138 N SER A 75 15.714 4.097 4.766 1.00 0.00 N ATOM 1139 CA SER A 75 14.403 3.767 5.300 1.00 0.00 C ATOM 1140 C SER A 75 13.479 4.983 5.207 1.00 0.00 C ATOM 1141 O SER A 75 13.946 6.115 5.096 1.00 0.00 O ATOM 1142 CB SER A 75 14.504 3.285 6.748 1.00 0.00 C ATOM 1143 OG SER A 75 15.275 4.173 7.554 1.00 0.00 O ATOM 0 H SER A 75 16.498 3.816 5.355 1.00 0.00 H new ATOM 0 HA SER A 75 13.985 2.955 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.503 3.190 7.169 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.954 2.293 6.769 1.00 0.00 H new ATOM 0 HG SER A 75 16.229 4.017 7.392 1.00 0.00 H new ATOM 1149 N HIS A 76 12.184 4.707 5.258 1.00 0.00 N ATOM 1150 CA HIS A 76 11.190 5.764 5.182 1.00 0.00 C ATOM 1151 C HIS A 76 10.153 5.574 6.290 1.00 0.00 C ATOM 1152 O HIS A 76 9.270 4.724 6.180 1.00 0.00 O ATOM 1153 CB HIS A 76 10.564 5.822 3.787 1.00 0.00 C ATOM 1154 CG HIS A 76 11.546 5.591 2.663 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.526 6.507 2.324 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.689 4.539 1.806 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.221 6.019 1.307 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.700 4.799 0.987 1.00 0.00 N ATOM 0 H HIS A 76 11.800 3.767 5.351 1.00 0.00 H new ATOM 0 HA HIS A 76 11.668 6.730 5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.773 5.075 3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.094 6.796 3.651 1.00 0.00 H new ATOM 0 HD1 HIS A 76 12.686 7.405 2.780 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.082 3.646 1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.054 6.502 0.817 1.00 0.00 H new ATOM 1166 N PRO A 77 10.296 6.401 7.360 1.00 0.00 N ATOM 1167 CA PRO A 77 9.382 6.332 8.487 1.00 0.00 C ATOM 1168 C PRO A 77 8.032 6.963 8.138 1.00 0.00 C ATOM 1169 O PRO A 77 7.095 6.913 8.933 1.00 0.00 O ATOM 1170 CB PRO A 77 10.098 7.051 9.619 1.00 0.00 C ATOM 1171 CG PRO A 77 11.177 7.896 8.960 1.00 0.00 C ATOM 1172 CD PRO A 77 11.329 7.420 7.524 1.00 0.00 C ATOM 0 HA PRO A 77 9.142 5.307 8.772 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.406 7.674 10.186 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.533 6.339 10.320 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.905 8.951 8.986 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.120 7.797 9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.192 8.240 6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.323 7.009 7.346 1.00 0.00 H new ATOM 1180 N ASP A 78 7.976 7.541 6.947 1.00 0.00 N ATOM 1181 CA ASP A 78 6.757 8.180 6.482 1.00 0.00 C ATOM 1182 C ASP A 78 5.897 7.153 5.744 1.00 0.00 C ATOM 1183 O ASP A 78 4.680 7.113 5.923 1.00 0.00 O ATOM 1184 CB ASP A 78 7.068 9.321 5.511 1.00 0.00 C ATOM 1185 CG ASP A 78 6.231 10.586 5.710 1.00 0.00 C ATOM 1186 OD1 ASP A 78 6.608 11.382 6.597 1.00 0.00 O ATOM 1187 OD2 ASP A 78 5.234 10.729 4.970 1.00 0.00 O ATOM 0 H ASP A 78 8.755 7.580 6.290 1.00 0.00 H new ATOM 0 HA ASP A 78 6.234 8.579 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.122 9.582 5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.920 8.962 4.493 1.00 0.00 H new ATOM 1192 N GLN A 79 6.562 6.347 4.930 1.00 0.00 N ATOM 1193 CA GLN A 79 5.874 5.322 4.163 1.00 0.00 C ATOM 1194 C GLN A 79 5.774 4.030 4.976 1.00 0.00 C ATOM 1195 O GLN A 79 4.978 3.149 4.653 1.00 0.00 O ATOM 1196 CB GLN A 79 6.573 5.076 2.825 1.00 0.00 C ATOM 1197 CG GLN A 79 6.777 6.387 2.063 1.00 0.00 C ATOM 1198 CD GLN A 79 7.827 6.223 0.962 1.00 0.00 C ATOM 1199 OE1 GLN A 79 7.831 5.262 0.211 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.713 7.214 0.908 1.00 0.00 N ATOM 0 H GLN A 79 7.571 6.383 4.785 1.00 0.00 H new ATOM 0 HA GLN A 79 4.864 5.672 3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.537 4.598 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.979 4.389 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.832 6.708 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.089 7.169 2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.652 7.989 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.453 7.198 0.207 1.00 0.00 H new ATOM 1209 N GLN A 80 6.592 3.957 6.015 1.00 0.00 N ATOM 1210 CA GLN A 80 6.606 2.786 6.876 1.00 0.00 C ATOM 1211 C GLN A 80 5.180 2.412 7.285 1.00 0.00 C ATOM 1212 O GLN A 80 4.782 1.253 7.174 1.00 0.00 O ATOM 1213 CB GLN A 80 7.485 3.021 8.106 1.00 0.00 C ATOM 1214 CG GLN A 80 8.861 2.375 7.928 1.00 0.00 C ATOM 1215 CD GLN A 80 9.817 2.805 9.042 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.634 2.493 10.207 1.00 0.00 O ATOM 1217 NE2 GLN A 80 10.844 3.537 8.621 1.00 0.00 N ATOM 0 H GLN A 80 7.250 4.690 6.281 1.00 0.00 H new ATOM 0 HA GLN A 80 7.034 1.953 6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.601 4.091 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.998 2.609 8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.760 1.290 7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.276 2.655 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.938 3.762 7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.538 3.873 9.288 1.00 0.00 H new ATOM 1226 N PRO A 81 4.430 3.441 7.762 1.00 0.00 N ATOM 1227 CA PRO A 81 3.056 3.232 8.188 1.00 0.00 C ATOM 1228 C PRO A 81 2.127 3.067 6.984 1.00 0.00 C ATOM 1229 O PRO A 81 1.045 2.496 7.103 1.00 0.00 O ATOM 1230 CB PRO A 81 2.718 4.446 9.038 1.00 0.00 C ATOM 1231 CG PRO A 81 3.746 5.506 8.677 1.00 0.00 C ATOM 1232 CD PRO A 81 4.867 4.826 7.908 1.00 0.00 C ATOM 0 HA PRO A 81 2.929 2.314 8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.707 4.797 8.833 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.763 4.204 10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.290 6.290 8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.135 5.983 9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.023 5.296 6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.812 4.888 8.448 1.00 0.00 H new ATOM 1240 N TYR A 82 2.585 3.579 5.850 1.00 0.00 N ATOM 1241 CA TYR A 82 1.808 3.497 4.625 1.00 0.00 C ATOM 1242 C TYR A 82 1.916 2.104 4.000 1.00 0.00 C ATOM 1243 O TYR A 82 0.905 1.492 3.660 1.00 0.00 O ATOM 1244 CB TYR A 82 2.421 4.521 3.668 1.00 0.00 C ATOM 1245 CG TYR A 82 2.076 5.973 4.006 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.315 6.461 5.275 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.526 6.794 3.043 1.00 0.00 C ATOM 1248 CE1 TYR A 82 1.991 7.827 5.593 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.202 8.161 3.362 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.450 8.610 4.621 1.00 0.00 C ATOM 1251 OH TYR A 82 1.144 9.900 4.922 1.00 0.00 O ATOM 0 H TYR A 82 3.484 4.052 5.754 1.00 0.00 H new ATOM 0 HA TYR A 82 0.754 3.690 4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.505 4.405 3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.083 4.304 2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.745 5.818 6.029 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.338 6.412 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.173 8.222 6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.772 8.815 2.618 1.00 0.00 H new ATOM 0 HH TYR A 82 1.888 10.482 4.661 1.00 0.00 H new ATOM 1261 N ILE A 83 3.152 1.644 3.868 1.00 0.00 N ATOM 1262 CA ILE A 83 3.405 0.335 3.290 1.00 0.00 C ATOM 1263 C ILE A 83 2.833 -0.744 4.212 1.00 0.00 C ATOM 1264 O ILE A 83 2.290 -1.743 3.742 1.00 0.00 O ATOM 1265 CB ILE A 83 4.895 0.161 2.991 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.133 -1.033 2.064 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.705 0.052 4.285 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.230 -0.957 0.831 1.00 0.00 C ATOM 0 H ILE A 83 3.988 2.154 4.151 1.00 0.00 H new ATOM 0 HA ILE A 83 2.897 0.237 2.331 1.00 0.00 H new ATOM 0 HB ILE A 83 5.244 1.050 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.178 -1.055 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.941 -1.961 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.761 -0.071 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.571 0.958 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.361 -0.809 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.419 -1.817 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.186 -0.960 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.441 -0.040 0.281 1.00 0.00 H new ATOM 1280 N THR A 84 2.973 -0.506 5.508 1.00 0.00 N ATOM 1281 CA THR A 84 2.477 -1.445 6.499 1.00 0.00 C ATOM 1282 C THR A 84 1.048 -1.873 6.159 1.00 0.00 C ATOM 1283 O THR A 84 0.743 -3.065 6.135 1.00 0.00 O ATOM 1284 CB THR A 84 2.603 -0.789 7.876 1.00 0.00 C ATOM 1285 OG1 THR A 84 3.968 -0.991 8.232 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.822 -1.540 8.956 1.00 0.00 C ATOM 0 H THR A 84 3.423 0.324 5.894 1.00 0.00 H new ATOM 0 HA THR A 84 3.066 -2.362 6.504 1.00 0.00 H new ATOM 0 HB THR A 84 2.249 0.240 7.822 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.542 -0.453 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.945 -1.033 9.913 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.765 -1.563 8.691 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.199 -2.560 9.035 1.00 0.00 H new ATOM 1294 N VAL A 85 0.210 -0.879 5.905 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.179 -1.138 5.568 1.00 0.00 C ATOM 1296 C VAL A 85 -1.243 -1.931 4.261 1.00 0.00 C ATOM 1297 O VAL A 85 -2.025 -2.872 4.139 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.957 0.178 5.508 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.392 -0.055 5.032 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.937 0.889 6.862 1.00 0.00 C ATOM 0 H VAL A 85 0.467 0.108 5.926 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.653 -1.745 6.340 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.464 0.826 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.923 0.896 4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.378 -0.498 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.899 -0.729 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.497 1.821 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.393 0.248 7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.907 1.105 7.144 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.408 -1.521 3.317 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.360 -2.181 2.023 1.00 0.00 C ATOM 1312 C TRP A 86 -0.136 -3.676 2.263 1.00 0.00 C ATOM 1313 O TRP A 86 -0.807 -4.512 1.661 1.00 0.00 O ATOM 1314 CB TRP A 86 0.709 -1.553 1.126 1.00 0.00 C ATOM 1315 CG TRP A 86 0.201 -0.384 0.279 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.220 0.922 0.580 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.404 -0.469 -1.028 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.327 1.682 -0.434 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.719 0.809 -1.443 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.678 -1.589 -1.833 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.323 1.088 -2.674 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.282 -1.293 -3.061 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.605 -0.012 -3.493 1.00 0.00 C ATOM 0 H TRP A 86 0.240 -0.741 3.422 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.301 -2.051 1.489 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.533 -1.206 1.749 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.110 -2.321 0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.614 1.328 1.500 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.426 2.697 -0.442 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.441 -2.598 -1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.559 2.098 -2.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.513 -2.118 -3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.071 0.134 -4.456 1.00 0.00 H new ATOM 1334 N GLN A 87 0.811 -3.965 3.144 1.00 0.00 N ATOM 1335 CA GLN A 87 1.132 -5.344 3.471 1.00 0.00 C ATOM 1336 C GLN A 87 -0.077 -6.035 4.104 1.00 0.00 C ATOM 1337 O GLN A 87 -0.444 -7.140 3.708 1.00 0.00 O ATOM 1338 CB GLN A 87 2.351 -5.420 4.392 1.00 0.00 C ATOM 1339 CG GLN A 87 2.588 -6.853 4.871 1.00 0.00 C ATOM 1340 CD GLN A 87 2.461 -6.950 6.393 1.00 0.00 C ATOM 1341 OE1 GLN A 87 1.737 -6.203 7.030 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.203 -7.910 6.938 1.00 0.00 N ATOM 0 H GLN A 87 1.366 -3.268 3.641 1.00 0.00 H new ATOM 0 HA GLN A 87 1.382 -5.866 2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.233 -5.059 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.204 -4.765 5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.868 -7.522 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.580 -7.184 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.788 -8.501 6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.187 -8.056 7.947 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.664 -5.355 5.078 1.00 0.00 N ATOM 1352 CA ASP A 88 -1.824 -5.890 5.770 1.00 0.00 C ATOM 1353 C ASP A 88 -2.950 -6.128 4.762 1.00 0.00 C ATOM 1354 O ASP A 88 -3.671 -7.120 4.854 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.336 -4.908 6.826 1.00 0.00 C ATOM 1356 CG ASP A 88 -2.947 -5.557 8.070 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.119 -6.794 8.039 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.229 -4.800 9.025 1.00 0.00 O ATOM 0 H ASP A 88 -0.358 -4.438 5.404 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.528 -6.820 6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.510 -4.269 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.084 -4.262 6.367 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.064 -5.201 3.821 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.090 -5.298 2.796 1.00 0.00 C ATOM 1365 C LEU A 89 -3.968 -6.648 2.086 1.00 0.00 C ATOM 1366 O LEU A 89 -4.946 -7.386 1.977 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.018 -4.097 1.852 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.746 -2.834 2.316 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.163 -1.588 1.647 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.254 -2.955 2.089 1.00 0.00 C ATOM 0 H LEU A 89 -2.463 -4.380 3.747 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.083 -5.262 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.969 -3.849 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.427 -4.394 0.886 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.591 -2.725 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.698 -0.704 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.108 -1.497 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.267 -1.673 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.747 -2.044 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.451 -3.101 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.639 -3.806 2.650 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.760 -6.929 1.620 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.498 -8.176 0.923 1.00 0.00 C ATOM 1384 C VAL A 90 -2.948 -9.348 1.797 1.00 0.00 C ATOM 1385 O VAL A 90 -3.760 -10.169 1.371 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.021 -8.256 0.530 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.709 -9.585 -0.160 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.624 -7.072 -0.354 1.00 0.00 C ATOM 0 H VAL A 90 -1.952 -6.314 1.712 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.070 -8.223 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.428 -8.205 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.347 -9.616 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.935 -10.409 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.316 -9.679 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.430 -7.153 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.228 -7.077 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.791 -6.141 0.188 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.402 -9.390 3.003 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.738 -10.448 3.941 1.00 0.00 C ATOM 1400 C GLN A 91 -4.253 -10.658 3.984 1.00 0.00 C ATOM 1401 O GLN A 91 -4.752 -11.692 3.543 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.187 -10.140 5.335 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.684 -10.420 5.404 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.220 -10.565 6.855 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.005 -10.549 7.790 1.00 0.00 O ATOM 1406 NE2 GLN A 91 1.095 -10.707 6.991 1.00 0.00 N ATOM 0 H GLN A 91 -1.729 -8.708 3.353 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.273 -11.372 3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.378 -9.096 5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.708 -10.744 6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.454 -11.331 4.852 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.137 -9.609 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.695 -10.712 6.166 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.503 -10.811 7.920 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.941 -9.661 4.520 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.389 -9.723 4.626 1.00 0.00 C ATOM 1417 C ASN A 92 -7.015 -9.098 3.378 1.00 0.00 C ATOM 1418 O ASN A 92 -7.698 -8.079 3.466 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.886 -8.944 5.846 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.945 -9.842 7.083 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.933 -10.505 7.354 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.836 -9.826 7.816 1.00 0.00 N ATOM 0 H ASN A 92 -4.523 -8.806 4.886 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.675 -10.770 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.224 -8.099 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.875 -8.534 5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.776 -10.392 8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.045 -9.248 7.532 1.00 0.00 H new ATOM 1429 N SER A 93 -6.760 -9.735 2.245 1.00 0.00 N ATOM 1430 CA SER A 93 -7.291 -9.254 0.981 1.00 0.00 C ATOM 1431 C SER A 93 -8.790 -8.976 1.114 1.00 0.00 C ATOM 1432 O SER A 93 -9.580 -9.896 1.316 1.00 0.00 O ATOM 1433 CB SER A 93 -7.036 -10.261 -0.143 1.00 0.00 C ATOM 1434 OG SER A 93 -7.834 -11.433 -0.001 1.00 0.00 O ATOM 0 H SER A 93 -6.193 -10.580 2.176 1.00 0.00 H new ATOM 0 HA SER A 93 -6.777 -8.327 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.248 -9.793 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.982 -10.539 -0.149 1.00 0.00 H new ATOM 0 HG SER A 93 -8.594 -11.242 0.588 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.145 -7.669 0.991 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.535 -7.258 1.096 1.00 0.00 C ATOM 1442 C PRO A 94 -11.311 -7.624 -0.171 1.00 0.00 C ATOM 1443 O PRO A 94 -10.716 -7.958 -1.194 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.484 -5.760 1.350 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.098 -5.311 0.917 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.236 -6.552 0.751 1.00 0.00 C ATOM 0 HA PRO A 94 -11.065 -7.767 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.257 -5.241 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.656 -5.536 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.152 -4.756 -0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.664 -4.642 1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.802 -6.602 -0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.407 -6.556 1.459 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.664 -7.546 -0.058 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.529 -7.865 -1.182 1.00 0.00 C ATOM 1456 C PRO A 95 -13.516 -6.740 -2.219 1.00 0.00 C ATOM 1457 O PRO A 95 -13.803 -6.971 -3.393 1.00 0.00 O ATOM 1458 CB PRO A 95 -14.901 -8.093 -0.570 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.859 -7.442 0.803 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.404 -7.154 1.138 1.00 0.00 C ATOM 0 HA PRO A 95 -13.200 -8.749 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.683 -7.651 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.121 -9.158 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.441 -6.520 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.300 -8.100 1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.252 -6.100 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.078 -7.722 2.009 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.180 -5.548 -1.749 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.126 -4.388 -2.621 1.00 0.00 C ATOM 1470 C TRP A 96 -11.800 -4.430 -3.384 1.00 0.00 C ATOM 1471 O TRP A 96 -11.580 -3.637 -4.298 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.316 -3.094 -1.826 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.242 -2.853 -0.764 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.277 -3.183 0.534 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -10.964 -2.213 -0.963 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.120 -2.804 1.184 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.296 -2.195 0.244 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.392 -1.666 -2.126 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.020 -1.642 0.406 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.116 -1.118 -1.947 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.430 -1.092 -0.738 1.00 0.00 C ATOM 0 H TRP A 96 -12.942 -5.361 -0.775 1.00 0.00 H new ATOM 0 HA TRP A 96 -13.944 -4.410 -3.341 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.323 -2.252 -2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.292 -3.117 -1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.107 -3.683 1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -10.908 -2.945 2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.897 -1.669 -3.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.518 -1.640 1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.630 -0.685 -2.809 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.446 -0.649 -0.682 1.00 0.00 H new ATOM 1492 N ILE A 97 -10.952 -5.365 -2.981 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.654 -5.522 -3.615 1.00 0.00 C ATOM 1494 C ILE A 97 -9.652 -6.802 -4.453 1.00 0.00 C ATOM 1495 O ILE A 97 -9.590 -6.745 -5.680 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.538 -5.469 -2.570 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.260 -4.027 -2.138 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.276 -6.167 -3.080 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.177 -3.978 -1.058 1.00 0.00 C ATOM 0 H ILE A 97 -11.139 -6.022 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.460 -4.694 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.872 -6.012 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.946 -3.439 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.176 -3.574 -1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.498 -6.115 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.501 -7.211 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.929 -5.673 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.998 -2.942 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.505 -4.547 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.255 -4.410 -1.447 1.00 0.00 H new ATOM 1511 N LYS A 98 -9.720 -7.927 -3.756 1.00 0.00 N ATOM 1512 CA LYS A 98 -9.727 -9.220 -4.420 1.00 0.00 C ATOM 1513 C LYS A 98 -10.781 -10.117 -3.770 1.00 0.00 C ATOM 1514 O LYS A 98 -10.745 -10.349 -2.562 1.00 0.00 O ATOM 1515 CB LYS A 98 -8.322 -9.826 -4.426 1.00 0.00 C ATOM 1516 CG LYS A 98 -7.584 -9.486 -5.723 1.00 0.00 C ATOM 1517 CD LYS A 98 -7.589 -10.676 -6.685 1.00 0.00 C ATOM 1518 CE LYS A 98 -6.952 -10.301 -8.024 1.00 0.00 C ATOM 1519 NZ LYS A 98 -5.480 -10.446 -7.956 1.00 0.00 N ATOM 0 H LYS A 98 -9.771 -7.970 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.006 -9.109 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.757 -9.451 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.388 -10.908 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.056 -8.627 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.557 -9.201 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.046 -11.510 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.613 -11.013 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.350 -10.938 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.211 -9.274 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.063 -10.188 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.103 -9.820 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.238 -11.432 -7.731 1.00 0.00 H new ATOM 1533 N SER A 99 -11.696 -10.598 -4.599 1.00 0.00 N ATOM 1534 CA SER A 99 -12.759 -11.465 -4.120 1.00 0.00 C ATOM 1535 C SER A 99 -12.474 -12.914 -4.522 1.00 0.00 C ATOM 1536 O SER A 99 -11.626 -13.169 -5.375 1.00 0.00 O ATOM 1537 CB SER A 99 -14.119 -11.021 -4.663 1.00 0.00 C ATOM 1538 OG SER A 99 -14.927 -10.423 -3.653 1.00 0.00 O ATOM 0 H SER A 99 -11.723 -10.404 -5.600 1.00 0.00 H new ATOM 0 HA SER A 99 -12.792 -11.396 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.970 -10.311 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 99 -14.640 -11.881 -5.082 1.00 0.00 H new ATOM 0 HG SER A 99 -15.786 -10.152 -4.039 1.00 0.00 H new ATOM 1544 N GLY A 100 -13.199 -13.824 -3.888 1.00 0.00 N ATOM 1545 CA GLY A 100 -13.035 -15.240 -4.169 1.00 0.00 C ATOM 1546 C GLY A 100 -11.567 -15.655 -4.053 1.00 0.00 C ATOM 1547 O GLY A 100 -10.916 -15.932 -5.059 1.00 0.00 O ATOM 0 H GLY A 100 -13.901 -13.608 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.638 -15.825 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.401 -15.460 -5.172 1.00 0.00 H new ATOM 1551 N PRO A 101 -11.077 -15.686 -2.785 1.00 0.00 N ATOM 1552 CA PRO A 101 -9.698 -16.063 -2.525 1.00 0.00 C ATOM 1553 C PRO A 101 -9.505 -17.573 -2.673 1.00 0.00 C ATOM 1554 O PRO A 101 -9.458 -18.297 -1.679 1.00 0.00 O ATOM 1555 CB PRO A 101 -9.413 -15.563 -1.118 1.00 0.00 C ATOM 1556 CG PRO A 101 -10.770 -15.341 -0.471 1.00 0.00 C ATOM 1557 CD PRO A 101 -11.820 -15.364 -1.570 1.00 0.00 C ATOM 0 HA PRO A 101 -9.000 -15.625 -3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.827 -16.291 -0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.836 -14.639 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.973 -16.117 0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.790 -14.387 0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.589 -16.109 -1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.323 -14.401 -1.657 1.00 0.00 H new ATOM 1565 N SER A 102 -9.399 -18.004 -3.921 1.00 0.00 N ATOM 1566 CA SER A 102 -9.212 -19.416 -4.212 1.00 0.00 C ATOM 1567 C SER A 102 -7.727 -19.775 -4.131 1.00 0.00 C ATOM 1568 O SER A 102 -6.867 -18.932 -4.379 1.00 0.00 O ATOM 1569 CB SER A 102 -9.770 -19.772 -5.592 1.00 0.00 C ATOM 1570 OG SER A 102 -8.928 -19.308 -6.644 1.00 0.00 O ATOM 0 H SER A 102 -9.439 -17.401 -4.743 1.00 0.00 H new ATOM 0 HA SER A 102 -9.760 -19.994 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.884 -20.853 -5.669 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.763 -19.338 -5.704 1.00 0.00 H new ATOM 0 HG SER A 102 -9.317 -19.556 -7.508 1.00 0.00 H new ATOM 1576 N SER A 103 -7.473 -21.028 -3.782 1.00 0.00 N ATOM 1577 CA SER A 103 -6.107 -21.509 -3.665 1.00 0.00 C ATOM 1578 C SER A 103 -5.369 -20.729 -2.574 1.00 0.00 C ATOM 1579 O SER A 103 -5.588 -19.530 -2.407 1.00 0.00 O ATOM 1580 CB SER A 103 -5.364 -21.389 -4.997 1.00 0.00 C ATOM 1581 OG SER A 103 -4.161 -22.152 -5.008 1.00 0.00 O ATOM 0 H SER A 103 -8.190 -21.724 -3.577 1.00 0.00 H new ATOM 0 HA SER A 103 -6.139 -22.564 -3.391 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.013 -21.724 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.131 -20.342 -5.189 1.00 0.00 H new ATOM 0 HG SER A 103 -3.717 -22.050 -5.876 1.00 0.00 H new ATOM 1587 N GLY A 104 -4.510 -21.442 -1.860 1.00 0.00 N ATOM 1588 CA GLY A 104 -3.739 -20.832 -0.790 1.00 0.00 C ATOM 1589 C GLY A 104 -4.640 -20.453 0.388 1.00 0.00 C ATOM 1590 O GLY A 104 -5.516 -19.600 0.255 1.00 0.00 O ATOM 0 H GLY A 104 -4.331 -22.436 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.966 -21.524 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.231 -19.943 -1.164 1.00 0.00 H new TER 1594 GLY A 104