USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 33 CYS SG : rot 180:sc= 0.0037 USER MOD Set 1.2: A 73 CYS SG : rot 154:sc= 0.0039 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.817 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -3.42 (180deg=-7.65!) USER MOD Single : A 18 GLN : amide:sc= -5.73! C(o=-5.7!,f=-4.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -170:sc= 0 USER MOD Single : A 36 SER OG : rot 45:sc= 0.0753 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -4.48! K(o=-4.5!,f=-2.4) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.3) USER MOD Single : A 64 ASN : amide:sc= -2.9 K(o=-2.9,f=-3.6!) USER MOD Single : A 70 HIS : no HE2:sc= -2.56 K(o=-2.6,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.039 -8.797 40.431 1.00 0.00 N ATOM 2 CA GLY A 1 5.722 -9.993 39.974 1.00 0.00 C ATOM 3 C GLY A 1 7.099 -9.696 39.414 1.00 0.00 C ATOM 4 O GLY A 1 7.227 -9.072 38.361 1.00 0.00 O ATOM 0 H1 GLY A 1 4.103 -9.053 40.805 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.599 -8.343 41.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.926 -8.137 39.636 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.814 -10.694 40.803 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.119 -10.482 39.208 1.00 0.00 H new ATOM 8 N SER A 2 8.133 -10.144 40.120 1.00 0.00 N ATOM 9 CA SER A 2 9.508 -9.917 39.690 1.00 0.00 C ATOM 10 C SER A 2 10.226 -11.241 39.447 1.00 0.00 C ATOM 11 O SER A 2 10.052 -12.201 40.198 1.00 0.00 O ATOM 12 CB SER A 2 10.264 -9.099 40.739 1.00 0.00 C ATOM 13 OG SER A 2 11.387 -8.451 40.167 1.00 0.00 O ATOM 0 H SER A 2 8.044 -10.666 40.992 1.00 0.00 H new ATOM 0 HA SER A 2 9.483 -9.360 38.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.596 -8.357 41.177 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.590 -9.752 41.548 1.00 0.00 H new ATOM 0 HG SER A 2 11.853 -7.933 40.857 1.00 0.00 H new ATOM 19 N SER A 3 11.032 -11.285 38.392 1.00 0.00 N ATOM 20 CA SER A 3 11.774 -12.491 38.046 1.00 0.00 C ATOM 21 C SER A 3 13.003 -12.152 37.208 1.00 0.00 C ATOM 22 O SER A 3 13.019 -11.159 36.482 1.00 0.00 O ATOM 23 CB SER A 3 10.876 -13.467 37.282 1.00 0.00 C ATOM 24 OG SER A 3 11.548 -14.688 37.030 1.00 0.00 O ATOM 0 H SER A 3 11.188 -10.499 37.761 1.00 0.00 H new ATOM 0 HA SER A 3 12.105 -12.961 38.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.970 -13.659 37.857 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.565 -13.018 36.339 1.00 0.00 H new ATOM 0 HG SER A 3 10.952 -15.295 36.542 1.00 0.00 H new ATOM 30 N GLY A 4 14.034 -12.985 37.316 1.00 0.00 N ATOM 31 CA GLY A 4 15.254 -12.757 36.564 1.00 0.00 C ATOM 32 C GLY A 4 15.142 -13.218 35.124 1.00 0.00 C ATOM 33 O GLY A 4 15.033 -14.414 34.855 1.00 0.00 O ATOM 0 H GLY A 4 14.046 -13.813 37.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.497 -11.695 36.584 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.078 -13.281 37.047 1.00 0.00 H new ATOM 37 N SER A 5 15.168 -12.267 34.196 1.00 0.00 N ATOM 38 CA SER A 5 15.064 -12.581 32.776 1.00 0.00 C ATOM 39 C SER A 5 15.641 -11.454 31.926 1.00 0.00 C ATOM 40 O SER A 5 15.488 -10.276 32.251 1.00 0.00 O ATOM 41 CB SER A 5 13.603 -12.828 32.393 1.00 0.00 C ATOM 42 OG SER A 5 13.171 -14.106 32.826 1.00 0.00 O ATOM 0 H SER A 5 15.260 -11.272 34.402 1.00 0.00 H new ATOM 0 HA SER A 5 15.640 -13.486 32.586 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.972 -12.058 32.837 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.489 -12.749 31.312 1.00 0.00 H new ATOM 0 HG SER A 5 13.751 -14.419 33.551 1.00 0.00 H new ATOM 48 N SER A 6 16.305 -11.823 30.836 1.00 0.00 N ATOM 49 CA SER A 6 16.909 -10.844 29.940 1.00 0.00 C ATOM 50 C SER A 6 16.148 -10.775 28.619 1.00 0.00 C ATOM 51 O SER A 6 16.204 -11.699 27.808 1.00 0.00 O ATOM 52 CB SER A 6 18.375 -11.196 29.679 1.00 0.00 C ATOM 53 OG SER A 6 19.118 -10.046 29.312 1.00 0.00 O ATOM 0 H SER A 6 16.439 -12.793 30.552 1.00 0.00 H new ATOM 0 HA SER A 6 16.857 -9.867 30.421 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.810 -11.644 30.573 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.438 -11.942 28.886 1.00 0.00 H new ATOM 0 HG SER A 6 20.052 -10.297 29.152 1.00 0.00 H new ATOM 59 N GLY A 7 15.438 -9.671 28.409 1.00 0.00 N ATOM 60 CA GLY A 7 14.676 -9.500 27.186 1.00 0.00 C ATOM 61 C GLY A 7 15.520 -8.962 26.048 1.00 0.00 C ATOM 62 O GLY A 7 16.292 -8.022 26.230 1.00 0.00 O ATOM 0 H GLY A 7 15.377 -8.892 29.064 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.245 -10.457 26.893 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.845 -8.819 27.371 1.00 0.00 H new ATOM 66 N GLU A 8 15.373 -9.561 24.870 1.00 0.00 N ATOM 67 CA GLU A 8 16.131 -9.137 23.698 1.00 0.00 C ATOM 68 C GLU A 8 15.645 -9.858 22.445 1.00 0.00 C ATOM 69 O GLU A 8 15.040 -10.927 22.526 1.00 0.00 O ATOM 70 CB GLU A 8 17.624 -9.402 23.906 1.00 0.00 C ATOM 71 CG GLU A 8 17.976 -10.878 23.972 1.00 0.00 C ATOM 72 CD GLU A 8 19.445 -11.140 23.698 1.00 0.00 C ATOM 73 OE1 GLU A 8 19.959 -10.627 22.682 1.00 0.00 O ATOM 74 OE2 GLU A 8 20.079 -11.859 24.498 1.00 0.00 O ATOM 0 H GLU A 8 14.737 -10.340 24.702 1.00 0.00 H new ATOM 0 HA GLU A 8 15.974 -8.067 23.563 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.183 -8.940 23.093 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.945 -8.919 24.829 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.719 -11.265 24.958 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.372 -11.425 23.248 1.00 0.00 H new ATOM 81 N GLY A 9 15.913 -9.265 21.286 1.00 0.00 N ATOM 82 CA GLY A 9 15.496 -9.865 20.032 1.00 0.00 C ATOM 83 C GLY A 9 15.830 -8.997 18.835 1.00 0.00 C ATOM 84 O GLY A 9 16.990 -8.902 18.433 1.00 0.00 O ATOM 0 H GLY A 9 16.411 -8.380 21.193 1.00 0.00 H new ATOM 0 HA2 GLY A 9 15.979 -10.836 19.919 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.421 -10.044 20.058 1.00 0.00 H new ATOM 88 N ASP A 10 14.812 -8.363 18.262 1.00 0.00 N ATOM 89 CA ASP A 10 15.004 -7.499 17.103 1.00 0.00 C ATOM 90 C ASP A 10 14.252 -6.183 17.276 1.00 0.00 C ATOM 91 O ASP A 10 13.097 -6.151 17.700 1.00 0.00 O ATOM 92 CB ASP A 10 14.534 -8.206 15.831 1.00 0.00 C ATOM 93 CG ASP A 10 13.069 -8.592 15.890 1.00 0.00 C ATOM 94 OD1 ASP A 10 12.596 -8.955 16.987 1.00 0.00 O ATOM 95 OD2 ASP A 10 12.397 -8.532 14.839 1.00 0.00 O ATOM 0 H ASP A 10 13.846 -8.431 18.581 1.00 0.00 H new ATOM 0 HA ASP A 10 16.068 -7.280 17.016 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.700 -7.554 14.974 1.00 0.00 H new ATOM 0 HB3 ASP A 10 15.136 -9.101 15.673 1.00 0.00 H new ATOM 100 N PRO A 11 14.923 -5.070 16.943 1.00 0.00 N ATOM 101 CA PRO A 11 14.338 -3.731 17.054 1.00 0.00 C ATOM 102 C PRO A 11 13.236 -3.492 16.027 1.00 0.00 C ATOM 103 O PRO A 11 12.882 -4.391 15.264 1.00 0.00 O ATOM 104 CB PRO A 11 15.525 -2.802 16.790 1.00 0.00 C ATOM 105 CG PRO A 11 16.465 -3.613 15.966 1.00 0.00 C ATOM 106 CD PRO A 11 16.303 -5.034 16.432 1.00 0.00 C ATOM 0 HA PRO A 11 13.863 -3.573 18.022 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.213 -1.901 16.262 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.991 -2.481 17.721 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.233 -3.521 14.905 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.492 -3.274 16.098 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.448 -5.743 15.617 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.026 -5.287 17.208 1.00 0.00 H new ATOM 114 N GLU A 12 12.699 -2.277 16.013 1.00 0.00 N ATOM 115 CA GLU A 12 11.637 -1.922 15.079 1.00 0.00 C ATOM 116 C GLU A 12 12.209 -1.252 13.833 1.00 0.00 C ATOM 117 O GLU A 12 12.648 -0.104 13.879 1.00 0.00 O ATOM 118 CB GLU A 12 10.625 -0.992 15.752 1.00 0.00 C ATOM 119 CG GLU A 12 9.855 -1.648 16.885 1.00 0.00 C ATOM 120 CD GLU A 12 8.583 -2.325 16.412 1.00 0.00 C ATOM 121 OE1 GLU A 12 8.649 -3.516 16.040 1.00 0.00 O ATOM 122 OE2 GLU A 12 7.524 -1.665 16.413 1.00 0.00 O ATOM 0 H GLU A 12 12.982 -1.522 16.638 1.00 0.00 H new ATOM 0 HA GLU A 12 11.132 -2.840 14.778 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.149 -0.118 16.139 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.918 -0.635 15.003 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.493 -2.384 17.374 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.605 -0.895 17.633 1.00 0.00 H new ATOM 129 N ASN A 13 12.202 -1.980 12.721 1.00 0.00 N ATOM 130 CA ASN A 13 12.722 -1.458 11.462 1.00 0.00 C ATOM 131 C ASN A 13 11.604 -0.844 10.626 1.00 0.00 C ATOM 132 O ASN A 13 11.656 0.333 10.269 1.00 0.00 O ATOM 133 CB ASN A 13 13.413 -2.571 10.672 1.00 0.00 C ATOM 134 CG ASN A 13 14.183 -3.523 11.566 1.00 0.00 C ATOM 135 OD1 ASN A 13 13.967 -4.735 11.533 1.00 0.00 O ATOM 136 ND2 ASN A 13 15.088 -2.978 12.371 1.00 0.00 N ATOM 0 H ASN A 13 11.842 -2.933 12.666 1.00 0.00 H new ATOM 0 HA ASN A 13 13.449 -0.679 11.692 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.666 -3.130 10.109 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.094 -2.128 9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.637 -3.569 12.995 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.234 -1.968 12.365 1.00 0.00 H new ATOM 143 N GLY A 14 10.592 -1.649 10.316 1.00 0.00 N ATOM 144 CA GLY A 14 9.476 -1.167 9.524 1.00 0.00 C ATOM 145 C GLY A 14 8.311 -0.712 10.381 1.00 0.00 C ATOM 146 O GLY A 14 8.214 -1.078 11.551 1.00 0.00 O ATOM 0 H GLY A 14 10.525 -2.627 10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.809 -0.338 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.142 -1.958 8.853 1.00 0.00 H new ATOM 150 N GLU A 15 7.426 0.090 9.796 1.00 0.00 N ATOM 151 CA GLU A 15 6.264 0.597 10.516 1.00 0.00 C ATOM 152 C GLU A 15 5.040 0.648 9.606 1.00 0.00 C ATOM 153 O GLU A 15 5.161 0.807 8.391 1.00 0.00 O ATOM 154 CB GLU A 15 6.553 1.990 11.079 1.00 0.00 C ATOM 155 CG GLU A 15 5.316 2.706 11.596 1.00 0.00 C ATOM 156 CD GLU A 15 4.882 2.209 12.961 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.737 2.138 13.867 1.00 0.00 O ATOM 158 OE2 GLU A 15 3.685 1.891 13.122 1.00 0.00 O ATOM 0 H GLU A 15 7.492 0.402 8.827 1.00 0.00 H new ATOM 0 HA GLU A 15 6.054 -0.084 11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.277 1.902 11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.016 2.598 10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.516 3.776 11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.499 2.570 10.887 1.00 0.00 H new ATOM 165 N LYS A 16 3.860 0.512 10.202 1.00 0.00 N ATOM 166 CA LYS A 16 2.613 0.543 9.448 1.00 0.00 C ATOM 167 C LYS A 16 2.271 1.967 9.020 1.00 0.00 C ATOM 168 O LYS A 16 2.240 2.883 9.843 1.00 0.00 O ATOM 169 CB LYS A 16 1.471 -0.037 10.286 1.00 0.00 C ATOM 170 CG LYS A 16 1.492 -1.553 10.377 1.00 0.00 C ATOM 171 CD LYS A 16 0.655 -2.188 9.280 1.00 0.00 C ATOM 172 CE LYS A 16 1.506 -2.571 8.079 1.00 0.00 C ATOM 173 NZ LYS A 16 0.754 -2.439 6.801 1.00 0.00 N ATOM 0 H LYS A 16 3.742 0.379 11.206 1.00 0.00 H new ATOM 0 HA LYS A 16 2.744 -0.065 8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.522 0.380 11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.520 0.280 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.520 -1.909 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.115 -1.865 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.155 -3.074 9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.125 -1.493 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.393 -1.938 8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.852 -3.598 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.177 -3.061 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.238 -2.711 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.797 -1.453 6.473 1.00 0.00 H new ATOM 187 N LEU A 17 2.015 2.146 7.729 1.00 0.00 N ATOM 188 CA LEU A 17 1.673 3.458 7.192 1.00 0.00 C ATOM 189 C LEU A 17 0.540 3.353 6.176 1.00 0.00 C ATOM 190 O LEU A 17 0.360 2.315 5.540 1.00 0.00 O ATOM 191 CB LEU A 17 2.900 4.099 6.540 1.00 0.00 C ATOM 192 CG LEU A 17 4.159 4.171 7.405 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.407 4.124 6.536 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.148 5.430 8.259 1.00 0.00 C ATOM 0 H LEU A 17 2.038 1.399 7.035 1.00 0.00 H new ATOM 0 HA LEU A 17 1.338 4.085 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.138 3.542 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.636 5.111 6.233 1.00 0.00 H new ATOM 0 HG LEU A 17 4.171 3.306 8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.293 4.176 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.421 3.193 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.403 4.969 5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.051 5.464 8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.112 6.307 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.273 5.421 8.909 1.00 0.00 H new ATOM 206 N GLN A 18 -0.218 4.435 6.029 1.00 0.00 N ATOM 207 CA GLN A 18 -1.332 4.464 5.089 1.00 0.00 C ATOM 208 C GLN A 18 -1.126 5.545 4.033 1.00 0.00 C ATOM 209 O GLN A 18 -0.759 6.676 4.353 1.00 0.00 O ATOM 210 CB GLN A 18 -2.647 4.704 5.832 1.00 0.00 C ATOM 211 CG GLN A 18 -3.861 4.758 4.918 1.00 0.00 C ATOM 212 CD GLN A 18 -5.028 5.499 5.540 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.064 6.730 5.546 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.990 4.752 6.069 1.00 0.00 N ATOM 0 H GLN A 18 -0.081 5.302 6.548 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.377 3.497 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.790 3.911 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.577 5.641 6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.585 5.243 3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.171 3.742 4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.919 3.735 6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.800 5.195 6.503 1.00 0.00 H new ATOM 223 N ILE A 19 -1.363 5.190 2.775 1.00 0.00 N ATOM 224 CA ILE A 19 -1.204 6.131 1.673 1.00 0.00 C ATOM 225 C ILE A 19 -2.515 6.320 0.918 1.00 0.00 C ATOM 226 O ILE A 19 -3.153 5.351 0.504 1.00 0.00 O ATOM 227 CB ILE A 19 -0.119 5.662 0.685 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.209 5.452 1.415 1.00 0.00 C ATOM 229 CG2 ILE A 19 0.043 6.672 -0.441 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.791 6.724 1.990 1.00 0.00 C ATOM 0 H ILE A 19 -1.666 4.258 2.493 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.899 7.082 2.111 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.428 4.711 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.061 4.733 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.929 5.013 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.813 6.327 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.902 6.777 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.334 7.637 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.732 6.499 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.971 7.438 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.090 7.153 2.706 1.00 0.00 H new ATOM 242 N THR A 20 -2.913 7.576 0.740 1.00 0.00 N ATOM 243 CA THR A 20 -4.148 7.894 0.034 1.00 0.00 C ATOM 244 C THR A 20 -3.859 8.498 -1.335 1.00 0.00 C ATOM 245 O THR A 20 -3.276 9.578 -1.437 1.00 0.00 O ATOM 246 CB THR A 20 -5.021 8.873 0.841 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.186 8.393 2.180 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.384 9.049 0.188 1.00 0.00 C ATOM 0 H THR A 20 -2.398 8.390 1.075 1.00 0.00 H new ATOM 0 HA THR A 20 -4.689 6.957 -0.093 1.00 0.00 H new ATOM 0 HB THR A 20 -4.519 9.840 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.741 9.022 2.687 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.982 9.745 0.776 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.256 9.443 -0.820 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.891 8.085 0.139 1.00 0.00 H new ATOM 256 N ILE A 21 -4.271 7.796 -2.385 1.00 0.00 N ATOM 257 CA ILE A 21 -4.057 8.266 -3.749 1.00 0.00 C ATOM 258 C ILE A 21 -5.291 8.986 -4.282 1.00 0.00 C ATOM 259 O ILE A 21 -6.422 8.573 -4.026 1.00 0.00 O ATOM 260 CB ILE A 21 -3.705 7.103 -4.696 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.527 6.302 -4.139 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.384 7.631 -6.086 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.263 5.015 -4.889 1.00 0.00 C ATOM 0 H ILE A 21 -4.755 6.900 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.219 8.963 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.567 6.440 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.630 6.921 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.719 6.070 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.137 6.798 -6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.249 8.162 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.535 8.312 -6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.414 4.499 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.145 4.376 -4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.039 5.241 -5.932 1.00 0.00 H new ATOM 275 N ARG A 22 -5.065 10.063 -5.027 1.00 0.00 N ATOM 276 CA ARG A 22 -6.158 10.841 -5.597 1.00 0.00 C ATOM 277 C ARG A 22 -6.293 10.573 -7.093 1.00 0.00 C ATOM 278 O ARG A 22 -5.340 10.745 -7.853 1.00 0.00 O ATOM 279 CB ARG A 22 -5.932 12.334 -5.354 1.00 0.00 C ATOM 280 CG ARG A 22 -6.503 12.830 -4.036 1.00 0.00 C ATOM 281 CD ARG A 22 -5.617 12.440 -2.863 1.00 0.00 C ATOM 282 NE ARG A 22 -4.541 13.403 -2.646 1.00 0.00 N ATOM 283 CZ ARG A 22 -4.743 14.651 -2.236 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.973 15.084 -2.000 1.00 0.00 N ATOM 285 NH2 ARG A 22 -3.712 15.468 -2.062 1.00 0.00 N ATOM 0 H ARG A 22 -4.135 10.417 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.082 10.536 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.862 12.539 -5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.382 12.899 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.608 13.914 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.501 12.417 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.223 12.364 -1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.190 11.454 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.582 13.101 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.768 14.459 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.125 16.042 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.764 15.138 -2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.868 16.426 -1.747 1.00 0.00 H new ATOM 299 N ARG A 23 -7.482 10.150 -7.509 1.00 0.00 N ATOM 300 CA ARG A 23 -7.741 9.856 -8.913 1.00 0.00 C ATOM 301 C ARG A 23 -7.369 11.045 -9.794 1.00 0.00 C ATOM 302 O ARG A 23 -8.120 12.015 -9.895 1.00 0.00 O ATOM 303 CB ARG A 23 -9.214 9.497 -9.118 1.00 0.00 C ATOM 304 CG ARG A 23 -9.591 9.280 -10.574 1.00 0.00 C ATOM 305 CD ARG A 23 -10.895 8.508 -10.703 1.00 0.00 C ATOM 306 NE ARG A 23 -11.149 8.087 -12.078 1.00 0.00 N ATOM 307 CZ ARG A 23 -11.586 8.906 -13.029 1.00 0.00 C ATOM 308 NH1 ARG A 23 -11.818 10.182 -12.754 1.00 0.00 N ATOM 309 NH2 ARG A 23 -11.793 8.447 -14.257 1.00 0.00 N ATOM 0 H ARG A 23 -8.282 10.003 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.124 9.005 -9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.441 8.592 -8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.834 10.293 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.687 10.244 -11.074 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.793 8.736 -11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.863 7.632 -10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.720 9.130 -10.356 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.982 7.111 -12.322 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.661 10.537 -11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.153 10.809 -13.486 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.617 7.465 -14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.128 9.076 -14.987 1.00 0.00 H new ATOM 323 N GLY A 24 -6.205 10.962 -10.431 1.00 0.00 N ATOM 324 CA GLY A 24 -5.753 12.037 -11.295 1.00 0.00 C ATOM 325 C GLY A 24 -5.340 11.544 -12.667 1.00 0.00 C ATOM 326 O GLY A 24 -5.013 10.370 -12.841 1.00 0.00 O ATOM 0 H GLY A 24 -5.567 10.169 -10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.550 12.773 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.910 12.546 -10.826 1.00 0.00 H new ATOM 330 N LYS A 25 -5.356 12.442 -13.646 1.00 0.00 N ATOM 331 CA LYS A 25 -4.980 12.093 -15.011 1.00 0.00 C ATOM 332 C LYS A 25 -5.794 10.903 -15.512 1.00 0.00 C ATOM 333 O LYS A 25 -5.260 10.005 -16.163 1.00 0.00 O ATOM 334 CB LYS A 25 -3.486 11.770 -15.084 1.00 0.00 C ATOM 335 CG LYS A 25 -2.594 12.996 -14.997 1.00 0.00 C ATOM 336 CD LYS A 25 -2.461 13.488 -13.566 1.00 0.00 C ATOM 337 CE LYS A 25 -1.154 14.238 -13.354 1.00 0.00 C ATOM 338 NZ LYS A 25 -0.890 14.495 -11.911 1.00 0.00 N ATOM 0 H LYS A 25 -5.625 13.418 -13.520 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.191 12.950 -15.650 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.230 11.087 -14.274 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.281 11.247 -16.018 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.607 12.758 -15.394 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.005 13.791 -15.619 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.300 14.141 -13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.510 12.640 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.331 13.661 -13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.188 15.186 -13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.009 15.008 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.662 15.067 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.832 13.590 -11.402 1.00 0.00 H new ATOM 352 N ASP A 26 -7.086 10.906 -15.205 1.00 0.00 N ATOM 353 CA ASP A 26 -7.974 9.828 -15.627 1.00 0.00 C ATOM 354 C ASP A 26 -7.497 8.486 -15.080 1.00 0.00 C ATOM 355 O ASP A 26 -7.473 7.486 -15.795 1.00 0.00 O ATOM 356 CB ASP A 26 -8.053 9.771 -17.153 1.00 0.00 C ATOM 357 CG ASP A 26 -9.288 9.040 -17.642 1.00 0.00 C ATOM 358 OD1 ASP A 26 -9.839 8.226 -16.872 1.00 0.00 O ATOM 359 OD2 ASP A 26 -9.704 9.282 -18.794 1.00 0.00 O ATOM 0 H ASP A 26 -7.542 11.642 -14.666 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.967 10.031 -15.227 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.053 10.785 -17.552 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.163 9.276 -17.542 1.00 0.00 H new ATOM 364 N GLY A 27 -7.116 8.473 -13.806 1.00 0.00 N ATOM 365 CA GLY A 27 -6.643 7.250 -13.185 1.00 0.00 C ATOM 366 C GLY A 27 -5.973 7.499 -11.848 1.00 0.00 C ATOM 367 O GLY A 27 -6.125 8.569 -11.260 1.00 0.00 O ATOM 0 H GLY A 27 -7.127 9.288 -13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.483 6.569 -13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.939 6.755 -13.854 1.00 0.00 H new ATOM 371 N PHE A 28 -5.231 6.508 -11.367 1.00 0.00 N ATOM 372 CA PHE A 28 -4.537 6.624 -10.089 1.00 0.00 C ATOM 373 C PHE A 28 -3.080 7.029 -10.296 1.00 0.00 C ATOM 374 O PHE A 28 -2.643 8.078 -9.825 1.00 0.00 O ATOM 375 CB PHE A 28 -4.606 5.300 -9.326 1.00 0.00 C ATOM 376 CG PHE A 28 -5.951 5.029 -8.715 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.505 5.917 -7.807 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.661 3.887 -9.048 1.00 0.00 C ATOM 379 CE1 PHE A 28 -7.743 5.671 -7.243 1.00 0.00 C ATOM 380 CE2 PHE A 28 -7.899 3.635 -8.488 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.441 4.529 -7.585 1.00 0.00 C ATOM 0 H PHE A 28 -5.094 5.616 -11.842 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.032 7.399 -9.504 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.353 4.485 -10.005 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.852 5.304 -8.539 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.964 6.812 -7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.242 3.185 -9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.164 6.371 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.442 2.741 -8.756 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.409 4.335 -7.147 1.00 0.00 H new ATOM 391 N GLY A 29 -2.333 6.188 -11.005 1.00 0.00 N ATOM 392 CA GLY A 29 -0.934 6.475 -11.262 1.00 0.00 C ATOM 393 C GLY A 29 -0.033 5.299 -10.944 1.00 0.00 C ATOM 394 O GLY A 29 0.841 4.944 -11.736 1.00 0.00 O ATOM 0 H GLY A 29 -2.672 5.313 -11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.809 6.751 -12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.627 7.335 -10.667 1.00 0.00 H new ATOM 398 N PHE A 30 -0.243 4.693 -9.780 1.00 0.00 N ATOM 399 CA PHE A 30 0.559 3.551 -9.357 1.00 0.00 C ATOM 400 C PHE A 30 -0.080 2.240 -9.807 1.00 0.00 C ATOM 401 O PHE A 30 -1.304 2.129 -9.890 1.00 0.00 O ATOM 402 CB PHE A 30 0.727 3.553 -7.836 1.00 0.00 C ATOM 403 CG PHE A 30 -0.369 2.824 -7.111 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.695 3.005 -7.470 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.072 1.958 -6.071 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.705 2.337 -6.804 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.078 1.286 -5.402 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.396 1.475 -5.770 1.00 0.00 C ATOM 0 H PHE A 30 -0.962 4.974 -9.113 1.00 0.00 H new ATOM 0 HA PHE A 30 1.540 3.636 -9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.684 3.097 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.762 4.584 -7.484 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.942 3.676 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.957 1.806 -5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.735 2.489 -7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.834 0.614 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.183 0.950 -5.250 1.00 0.00 H new ATOM 418 N THR A 31 0.757 1.249 -10.098 1.00 0.00 N ATOM 419 CA THR A 31 0.276 -0.053 -10.542 1.00 0.00 C ATOM 420 C THR A 31 0.517 -1.119 -9.479 1.00 0.00 C ATOM 421 O THR A 31 1.520 -1.083 -8.767 1.00 0.00 O ATOM 422 CB THR A 31 0.958 -0.487 -11.853 1.00 0.00 C ATOM 423 OG1 THR A 31 0.869 0.563 -12.822 1.00 0.00 O ATOM 424 CG2 THR A 31 0.315 -1.750 -12.405 1.00 0.00 C ATOM 0 H THR A 31 1.772 1.324 -10.034 1.00 0.00 H new ATOM 0 HA THR A 31 -0.795 0.048 -10.715 1.00 0.00 H new ATOM 0 HB THR A 31 2.006 -0.696 -11.640 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.306 0.280 -13.652 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.813 -2.037 -13.331 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.411 -2.555 -11.677 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.740 -1.564 -12.604 1.00 0.00 H new ATOM 432 N ILE A 32 -0.408 -2.068 -9.379 1.00 0.00 N ATOM 433 CA ILE A 32 -0.294 -3.145 -8.405 1.00 0.00 C ATOM 434 C ILE A 32 -0.847 -4.452 -8.963 1.00 0.00 C ATOM 435 O ILE A 32 -1.993 -4.512 -9.412 1.00 0.00 O ATOM 436 CB ILE A 32 -1.036 -2.804 -7.099 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.455 -2.319 -7.404 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.268 -1.751 -6.313 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.446 -2.620 -6.301 1.00 0.00 C ATOM 0 H ILE A 32 -1.245 -2.112 -9.961 1.00 0.00 H new ATOM 0 HA ILE A 32 0.768 -3.264 -8.190 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.104 -3.706 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.433 -1.243 -7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.799 -2.785 -8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.805 -1.520 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.724 -2.131 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.172 -0.846 -6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.431 -2.248 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.497 -3.697 -6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.125 -2.132 -5.381 1.00 0.00 H new ATOM 451 N CYS A 33 -0.027 -5.497 -8.931 1.00 0.00 N ATOM 452 CA CYS A 33 -0.434 -6.804 -9.433 1.00 0.00 C ATOM 453 C CYS A 33 0.323 -7.920 -8.720 1.00 0.00 C ATOM 454 O CYS A 33 1.554 -7.957 -8.737 1.00 0.00 O ATOM 455 CB CYS A 33 -0.195 -6.891 -10.941 1.00 0.00 C ATOM 456 SG CYS A 33 -0.538 -8.519 -11.650 1.00 0.00 S ATOM 0 H CYS A 33 0.924 -5.464 -8.563 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.499 -6.927 -9.234 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.819 -6.150 -11.440 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.842 -6.627 -11.150 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.309 -8.492 -12.929 1.00 0.00 H new ATOM 462 N CYS A 34 -0.420 -8.826 -8.095 1.00 0.00 N ATOM 463 CA CYS A 34 0.181 -9.942 -7.373 1.00 0.00 C ATOM 464 C CYS A 34 -0.892 -10.870 -6.814 1.00 0.00 C ATOM 465 O CYS A 34 -2.055 -10.485 -6.688 1.00 0.00 O ATOM 466 CB CYS A 34 1.067 -9.425 -6.239 1.00 0.00 C ATOM 467 SG CYS A 34 2.464 -10.504 -5.843 1.00 0.00 S ATOM 0 H CYS A 34 -1.440 -8.810 -8.073 1.00 0.00 H new ATOM 0 HA CYS A 34 0.794 -10.508 -8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.448 -8.440 -6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.457 -9.296 -5.345 1.00 0.00 H new ATOM 0 HG CYS A 34 3.029 -10.097 -4.746 1.00 0.00 H new ATOM 473 N ASP A 35 -0.495 -12.093 -6.482 1.00 0.00 N ATOM 474 CA ASP A 35 -1.424 -13.077 -5.936 1.00 0.00 C ATOM 475 C ASP A 35 -1.360 -13.097 -4.412 1.00 0.00 C ATOM 476 O ASP A 35 -0.278 -13.142 -3.827 1.00 0.00 O ATOM 477 CB ASP A 35 -1.111 -14.467 -6.491 1.00 0.00 C ATOM 478 CG ASP A 35 0.370 -14.669 -6.746 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.128 -14.811 -5.763 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.771 -14.687 -7.928 1.00 0.00 O ATOM 0 H ASP A 35 0.463 -12.427 -6.581 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.433 -12.794 -6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.462 -15.223 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.660 -14.616 -7.421 1.00 0.00 H new ATOM 485 N SER A 36 -2.526 -13.064 -3.776 1.00 0.00 N ATOM 486 CA SER A 36 -2.603 -13.074 -2.319 1.00 0.00 C ATOM 487 C SER A 36 -1.452 -13.876 -1.720 1.00 0.00 C ATOM 488 O SER A 36 -1.285 -15.066 -1.989 1.00 0.00 O ATOM 489 CB SER A 36 -3.940 -13.659 -1.862 1.00 0.00 C ATOM 490 OG SER A 36 -4.231 -14.864 -2.548 1.00 0.00 O ATOM 0 H SER A 36 -3.431 -13.030 -4.246 1.00 0.00 H new ATOM 0 HA SER A 36 -2.527 -12.045 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.911 -13.846 -0.789 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.736 -12.936 -2.038 1.00 0.00 H new ATOM 0 HG SER A 36 -3.431 -15.430 -2.569 1.00 0.00 H new ATOM 496 N PRO A 37 -0.638 -13.211 -0.888 1.00 0.00 N ATOM 497 CA PRO A 37 -0.826 -11.794 -0.561 1.00 0.00 C ATOM 498 C PRO A 37 -0.524 -10.881 -1.744 1.00 0.00 C ATOM 499 O PRO A 37 0.326 -11.191 -2.579 1.00 0.00 O ATOM 500 CB PRO A 37 0.178 -11.555 0.570 1.00 0.00 C ATOM 501 CG PRO A 37 1.232 -12.587 0.365 1.00 0.00 C ATOM 502 CD PRO A 37 0.530 -13.790 -0.202 1.00 0.00 C ATOM 0 HA PRO A 37 -1.858 -11.572 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.595 -10.549 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.294 -11.660 1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.003 -12.228 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.727 -12.831 1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.169 -14.340 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.232 -14.487 0.581 1.00 0.00 H new ATOM 510 N VAL A 38 -1.224 -9.753 -1.809 1.00 0.00 N ATOM 511 CA VAL A 38 -1.029 -8.793 -2.889 1.00 0.00 C ATOM 512 C VAL A 38 0.172 -7.895 -2.616 1.00 0.00 C ATOM 513 O VAL A 38 0.550 -7.680 -1.464 1.00 0.00 O ATOM 514 CB VAL A 38 -2.278 -7.915 -3.092 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.073 -6.956 -4.255 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.508 -8.782 -3.315 1.00 0.00 C ATOM 0 H VAL A 38 -1.931 -9.481 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.849 -9.370 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.437 -7.325 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.966 -6.344 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.218 -6.312 -4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.888 -7.524 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.381 -8.145 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.362 -9.400 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.663 -9.423 -2.447 1.00 0.00 H new ATOM 526 N ARG A 39 0.768 -7.373 -3.683 1.00 0.00 N ATOM 527 CA ARG A 39 1.927 -6.498 -3.559 1.00 0.00 C ATOM 528 C ARG A 39 1.909 -5.415 -4.634 1.00 0.00 C ATOM 529 O ARG A 39 1.164 -5.507 -5.610 1.00 0.00 O ATOM 530 CB ARG A 39 3.220 -7.310 -3.660 1.00 0.00 C ATOM 531 CG ARG A 39 3.465 -8.215 -2.463 1.00 0.00 C ATOM 532 CD ARG A 39 4.734 -9.036 -2.637 1.00 0.00 C ATOM 533 NE ARG A 39 4.690 -10.278 -1.871 1.00 0.00 N ATOM 534 CZ ARG A 39 5.701 -11.138 -1.807 1.00 0.00 C ATOM 535 NH1 ARG A 39 6.828 -10.891 -2.460 1.00 0.00 N ATOM 536 NH2 ARG A 39 5.586 -12.247 -1.088 1.00 0.00 N ATOM 0 H ARG A 39 0.467 -7.541 -4.643 1.00 0.00 H new ATOM 0 HA ARG A 39 1.884 -6.017 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.188 -7.918 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.062 -6.626 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.542 -7.611 -1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.614 -8.882 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.875 -9.266 -3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.594 -8.446 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 39 3.837 -10.498 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.921 -10.039 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.602 -11.553 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.721 -12.440 -0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.363 -12.906 -1.040 1.00 0.00 H new ATOM 550 N VAL A 40 2.734 -4.389 -4.448 1.00 0.00 N ATOM 551 CA VAL A 40 2.813 -3.289 -5.402 1.00 0.00 C ATOM 552 C VAL A 40 3.824 -3.589 -6.503 1.00 0.00 C ATOM 553 O VAL A 40 4.861 -4.205 -6.256 1.00 0.00 O ATOM 554 CB VAL A 40 3.203 -1.971 -4.707 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.267 -0.834 -5.716 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.223 -1.648 -3.589 1.00 0.00 C ATOM 0 H VAL A 40 3.357 -4.297 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 40 1.822 -3.179 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 40 4.193 -2.091 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.544 0.089 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.011 -1.065 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.292 -0.710 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.514 -0.714 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.220 -1.546 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.232 -2.452 -2.853 1.00 0.00 H new ATOM 566 N GLN A 41 3.515 -3.148 -7.718 1.00 0.00 N ATOM 567 CA GLN A 41 4.397 -3.369 -8.858 1.00 0.00 C ATOM 568 C GLN A 41 5.400 -2.229 -8.999 1.00 0.00 C ATOM 569 O GLN A 41 6.611 -2.449 -8.982 1.00 0.00 O ATOM 570 CB GLN A 41 3.579 -3.508 -10.143 1.00 0.00 C ATOM 571 CG GLN A 41 4.430 -3.713 -11.386 1.00 0.00 C ATOM 572 CD GLN A 41 3.649 -4.323 -12.533 1.00 0.00 C ATOM 573 OE1 GLN A 41 3.161 -5.450 -12.438 1.00 0.00 O ATOM 574 NE2 GLN A 41 3.527 -3.581 -13.627 1.00 0.00 N ATOM 0 H GLN A 41 2.661 -2.636 -7.938 1.00 0.00 H new ATOM 0 HA GLN A 41 4.948 -4.293 -8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.894 -4.350 -10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.969 -2.614 -10.274 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.843 -2.755 -11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.274 -4.359 -11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.947 -2.652 -13.663 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.013 -3.940 -14.432 1.00 0.00 H new ATOM 583 N ALA A 42 4.888 -1.011 -9.140 1.00 0.00 N ATOM 584 CA ALA A 42 5.739 0.164 -9.283 1.00 0.00 C ATOM 585 C ALA A 42 4.914 1.446 -9.253 1.00 0.00 C ATOM 586 O ALA A 42 3.716 1.432 -9.536 1.00 0.00 O ATOM 587 CB ALA A 42 6.542 0.080 -10.573 1.00 0.00 C ATOM 0 H ALA A 42 3.888 -0.812 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 42 6.429 0.188 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.173 0.964 -10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.168 -0.812 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.861 0.028 -11.423 1.00 0.00 H new ATOM 593 N VAL A 43 5.563 2.554 -8.908 1.00 0.00 N ATOM 594 CA VAL A 43 4.889 3.845 -8.841 1.00 0.00 C ATOM 595 C VAL A 43 5.335 4.757 -9.979 1.00 0.00 C ATOM 596 O VAL A 43 6.530 4.950 -10.202 1.00 0.00 O ATOM 597 CB VAL A 43 5.158 4.550 -7.498 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.422 5.880 -7.437 1.00 0.00 C ATOM 599 CG2 VAL A 43 4.754 3.654 -6.337 1.00 0.00 C ATOM 0 H VAL A 43 6.555 2.583 -8.671 1.00 0.00 H new ATOM 0 HA VAL A 43 3.821 3.649 -8.933 1.00 0.00 H new ATOM 0 HB VAL A 43 6.227 4.749 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.624 6.364 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.764 6.523 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.350 5.708 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.951 4.167 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.691 3.422 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.330 2.729 -6.373 1.00 0.00 H new ATOM 609 N ASP A 44 4.366 5.315 -10.697 1.00 0.00 N ATOM 610 CA ASP A 44 4.658 6.208 -11.811 1.00 0.00 C ATOM 611 C ASP A 44 5.231 7.531 -11.312 1.00 0.00 C ATOM 612 O ASP A 44 4.608 8.225 -10.508 1.00 0.00 O ATOM 613 CB ASP A 44 3.394 6.463 -12.633 1.00 0.00 C ATOM 614 CG ASP A 44 3.702 6.824 -14.073 1.00 0.00 C ATOM 615 OD1 ASP A 44 3.872 8.028 -14.359 1.00 0.00 O ATOM 616 OD2 ASP A 44 3.772 5.903 -14.914 1.00 0.00 O ATOM 0 H ASP A 44 3.372 5.164 -10.527 1.00 0.00 H new ATOM 0 HA ASP A 44 5.403 5.726 -12.444 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.765 5.573 -12.611 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.822 7.269 -12.174 1.00 0.00 H new ATOM 621 N SER A 45 6.421 7.874 -11.793 1.00 0.00 N ATOM 622 CA SER A 45 7.080 9.112 -11.392 1.00 0.00 C ATOM 623 C SER A 45 6.455 10.313 -12.095 1.00 0.00 C ATOM 624 O SER A 45 7.158 11.154 -12.655 1.00 0.00 O ATOM 625 CB SER A 45 8.576 9.043 -11.707 1.00 0.00 C ATOM 626 OG SER A 45 9.291 8.425 -10.652 1.00 0.00 O ATOM 0 H SER A 45 6.949 7.312 -12.461 1.00 0.00 H new ATOM 0 HA SER A 45 6.947 9.234 -10.317 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.731 8.486 -12.631 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.963 10.049 -11.873 1.00 0.00 H new ATOM 0 HG SER A 45 10.244 8.392 -10.878 1.00 0.00 H new ATOM 632 N GLY A 46 5.128 10.385 -12.063 1.00 0.00 N ATOM 633 CA GLY A 46 4.430 11.486 -12.700 1.00 0.00 C ATOM 634 C GLY A 46 2.944 11.483 -12.398 1.00 0.00 C ATOM 635 O GLY A 46 2.130 11.838 -13.249 1.00 0.00 O ATOM 0 H GLY A 46 4.524 9.701 -11.607 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.864 12.429 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.579 11.431 -13.778 1.00 0.00 H new ATOM 639 N GLY A 47 2.590 11.079 -11.182 1.00 0.00 N ATOM 640 CA GLY A 47 1.193 11.037 -10.791 1.00 0.00 C ATOM 641 C GLY A 47 0.980 11.462 -9.352 1.00 0.00 C ATOM 642 O GLY A 47 1.903 11.911 -8.672 1.00 0.00 O ATOM 0 H GLY A 47 3.246 10.780 -10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.616 11.688 -11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.811 10.025 -10.928 1.00 0.00 H new ATOM 646 N PRO A 48 -0.263 11.323 -8.868 1.00 0.00 N ATOM 647 CA PRO A 48 -0.624 11.691 -7.495 1.00 0.00 C ATOM 648 C PRO A 48 -0.011 10.751 -6.463 1.00 0.00 C ATOM 649 O PRO A 48 0.516 11.194 -5.442 1.00 0.00 O ATOM 650 CB PRO A 48 -2.150 11.574 -7.486 1.00 0.00 C ATOM 651 CG PRO A 48 -2.461 10.594 -8.564 1.00 0.00 C ATOM 652 CD PRO A 48 -1.412 10.795 -9.622 1.00 0.00 C ATOM 0 HA PRO A 48 -0.258 12.682 -7.229 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.515 11.228 -6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.622 12.537 -7.679 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.439 9.573 -8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.459 10.762 -8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.166 9.861 -10.127 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.744 11.494 -10.390 1.00 0.00 H new ATOM 660 N ALA A 49 -0.083 9.453 -6.735 1.00 0.00 N ATOM 661 CA ALA A 49 0.466 8.451 -5.831 1.00 0.00 C ATOM 662 C ALA A 49 1.773 8.931 -5.209 1.00 0.00 C ATOM 663 O ALA A 49 1.917 8.955 -3.987 1.00 0.00 O ATOM 664 CB ALA A 49 0.682 7.137 -6.567 1.00 0.00 C ATOM 0 H ALA A 49 -0.517 9.070 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.252 8.291 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.093 6.398 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.270 6.779 -6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.378 7.292 -7.391 1.00 0.00 H new ATOM 670 N GLU A 50 2.723 9.311 -6.057 1.00 0.00 N ATOM 671 CA GLU A 50 4.018 9.789 -5.589 1.00 0.00 C ATOM 672 C GLU A 50 3.848 10.922 -4.580 1.00 0.00 C ATOM 673 O GLU A 50 4.264 10.808 -3.427 1.00 0.00 O ATOM 674 CB GLU A 50 4.868 10.266 -6.769 1.00 0.00 C ATOM 675 CG GLU A 50 6.364 10.147 -6.528 1.00 0.00 C ATOM 676 CD GLU A 50 7.159 11.203 -7.271 1.00 0.00 C ATOM 677 OE1 GLU A 50 6.590 12.273 -7.572 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.352 10.959 -7.551 1.00 0.00 O ATOM 0 H GLU A 50 2.620 9.297 -7.072 1.00 0.00 H new ATOM 0 HA GLU A 50 4.526 8.960 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.604 9.687 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.625 11.306 -6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.564 10.231 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.701 9.158 -6.839 1.00 0.00 H new ATOM 685 N ARG A 51 3.235 12.014 -5.024 1.00 0.00 N ATOM 686 CA ARG A 51 3.011 13.168 -4.162 1.00 0.00 C ATOM 687 C ARG A 51 2.678 12.728 -2.740 1.00 0.00 C ATOM 688 O ARG A 51 3.150 13.320 -1.769 1.00 0.00 O ATOM 689 CB ARG A 51 1.879 14.035 -4.717 1.00 0.00 C ATOM 690 CG ARG A 51 2.059 14.408 -6.180 1.00 0.00 C ATOM 691 CD ARG A 51 3.376 15.132 -6.411 1.00 0.00 C ATOM 692 NE ARG A 51 3.468 16.364 -5.633 1.00 0.00 N ATOM 693 CZ ARG A 51 4.258 17.382 -5.957 1.00 0.00 C ATOM 694 NH1 ARG A 51 5.020 17.315 -7.040 1.00 0.00 N ATOM 695 NH2 ARG A 51 4.286 18.470 -5.198 1.00 0.00 N ATOM 0 H ARG A 51 2.885 12.124 -5.976 1.00 0.00 H new ATOM 0 HA ARG A 51 3.930 13.754 -4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.935 13.503 -4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.807 14.947 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.025 13.508 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.232 15.043 -6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.203 14.473 -6.146 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.481 15.364 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 51 2.894 16.448 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.001 16.481 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.626 18.098 -7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.701 18.526 -4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.893 19.251 -5.448 1.00 0.00 H new ATOM 709 N ALA A 52 1.862 11.685 -2.624 1.00 0.00 N ATOM 710 CA ALA A 52 1.467 11.165 -1.321 1.00 0.00 C ATOM 711 C ALA A 52 2.633 10.465 -0.633 1.00 0.00 C ATOM 712 O ALA A 52 2.906 10.703 0.543 1.00 0.00 O ATOM 713 CB ALA A 52 0.289 10.212 -1.468 1.00 0.00 C ATOM 0 H ALA A 52 1.462 11.184 -3.417 1.00 0.00 H new ATOM 0 HA ALA A 52 1.164 12.007 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.005 9.831 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.555 10.742 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.573 9.380 -2.112 1.00 0.00 H new ATOM 719 N GLY A 53 3.319 9.600 -1.374 1.00 0.00 N ATOM 720 CA GLY A 53 4.449 8.878 -0.817 1.00 0.00 C ATOM 721 C GLY A 53 4.292 7.375 -0.938 1.00 0.00 C ATOM 722 O GLY A 53 4.600 6.635 -0.003 1.00 0.00 O ATOM 0 H GLY A 53 3.113 9.386 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.361 9.187 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.565 9.145 0.233 1.00 0.00 H new ATOM 726 N LEU A 54 3.812 6.923 -2.091 1.00 0.00 N ATOM 727 CA LEU A 54 3.614 5.497 -2.330 1.00 0.00 C ATOM 728 C LEU A 54 4.886 4.854 -2.874 1.00 0.00 C ATOM 729 O LEU A 54 5.457 5.323 -3.858 1.00 0.00 O ATOM 730 CB LEU A 54 2.460 5.281 -3.310 1.00 0.00 C ATOM 731 CG LEU A 54 1.699 3.961 -3.170 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.306 4.083 -3.767 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.469 2.829 -3.834 1.00 0.00 C ATOM 0 H LEU A 54 3.553 7.522 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 54 3.369 5.024 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.751 6.100 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.854 5.344 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 54 1.598 3.732 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.221 3.135 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.246 4.866 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.384 4.336 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.913 1.898 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.601 3.051 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.445 2.726 -3.361 1.00 0.00 H new ATOM 745 N GLN A 55 5.321 3.778 -2.227 1.00 0.00 N ATOM 746 CA GLN A 55 6.525 3.070 -2.648 1.00 0.00 C ATOM 747 C GLN A 55 6.174 1.729 -3.283 1.00 0.00 C ATOM 748 O GLN A 55 5.058 1.233 -3.129 1.00 0.00 O ATOM 749 CB GLN A 55 7.458 2.854 -1.455 1.00 0.00 C ATOM 750 CG GLN A 55 6.979 1.778 -0.494 1.00 0.00 C ATOM 751 CD GLN A 55 8.119 1.102 0.241 1.00 0.00 C ATOM 752 OE1 GLN A 55 8.200 -0.126 0.289 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.008 1.901 0.818 1.00 0.00 N ATOM 0 H GLN A 55 4.859 3.377 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 55 7.034 3.682 -3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.448 2.586 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.563 3.793 -0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.297 2.222 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.413 1.028 -1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.902 2.913 0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.797 1.503 1.326 1.00 0.00 H new ATOM 762 N GLN A 56 7.133 1.148 -3.996 1.00 0.00 N ATOM 763 CA GLN A 56 6.923 -0.136 -4.655 1.00 0.00 C ATOM 764 C GLN A 56 7.501 -1.276 -3.823 1.00 0.00 C ATOM 765 O GLN A 56 8.244 -1.046 -2.868 1.00 0.00 O ATOM 766 CB GLN A 56 7.561 -0.129 -6.045 1.00 0.00 C ATOM 767 CG GLN A 56 9.062 0.110 -6.025 1.00 0.00 C ATOM 768 CD GLN A 56 9.607 0.518 -7.380 1.00 0.00 C ATOM 769 OE1 GLN A 56 9.802 1.702 -7.653 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.856 -0.465 -8.238 1.00 0.00 N ATOM 0 H GLN A 56 8.062 1.545 -4.132 1.00 0.00 H new ATOM 0 HA GLN A 56 5.849 -0.293 -4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.360 -1.083 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.087 0.644 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.292 0.887 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.566 -0.798 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.679 -1.433 -7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.224 -0.252 -9.165 1.00 0.00 H new ATOM 779 N LEU A 57 7.155 -2.504 -4.191 1.00 0.00 N ATOM 780 CA LEU A 57 7.639 -3.681 -3.478 1.00 0.00 C ATOM 781 C LEU A 57 7.099 -3.715 -2.052 1.00 0.00 C ATOM 782 O LEU A 57 7.823 -4.040 -1.111 1.00 0.00 O ATOM 783 CB LEU A 57 9.169 -3.696 -3.456 1.00 0.00 C ATOM 784 CG LEU A 57 9.860 -3.616 -4.818 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.349 -3.356 -4.647 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.629 -4.896 -5.609 1.00 0.00 C ATOM 0 H LEU A 57 6.541 -2.711 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 57 7.280 -4.566 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.512 -2.860 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.496 -4.608 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 57 9.428 -2.784 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.824 -3.302 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.496 -2.413 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.796 -4.166 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.128 -4.822 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.034 -5.744 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.560 -5.041 -5.763 1.00 0.00 H new ATOM 798 N ASP A 58 5.823 -3.379 -1.901 1.00 0.00 N ATOM 799 CA ASP A 58 5.184 -3.374 -0.590 1.00 0.00 C ATOM 800 C ASP A 58 3.981 -4.311 -0.568 1.00 0.00 C ATOM 801 O ASP A 58 3.290 -4.477 -1.574 1.00 0.00 O ATOM 802 CB ASP A 58 4.748 -1.956 -0.217 1.00 0.00 C ATOM 803 CG ASP A 58 3.901 -1.308 -1.295 1.00 0.00 C ATOM 804 OD1 ASP A 58 4.446 -1.011 -2.379 1.00 0.00 O ATOM 805 OD2 ASP A 58 2.694 -1.100 -1.055 1.00 0.00 O ATOM 0 H ASP A 58 5.211 -3.107 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 58 5.910 -3.727 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.184 -1.986 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.631 -1.343 -0.036 1.00 0.00 H new ATOM 810 N THR A 59 3.736 -4.925 0.586 1.00 0.00 N ATOM 811 CA THR A 59 2.618 -5.848 0.739 1.00 0.00 C ATOM 812 C THR A 59 1.376 -5.127 1.249 1.00 0.00 C ATOM 813 O THR A 59 1.458 -4.283 2.142 1.00 0.00 O ATOM 814 CB THR A 59 2.965 -6.995 1.706 1.00 0.00 C ATOM 815 OG1 THR A 59 4.048 -7.770 1.178 1.00 0.00 O ATOM 816 CG2 THR A 59 1.759 -7.892 1.936 1.00 0.00 C ATOM 0 H THR A 59 4.297 -4.799 1.428 1.00 0.00 H new ATOM 0 HA THR A 59 2.414 -6.264 -0.248 1.00 0.00 H new ATOM 0 HB THR A 59 3.261 -6.559 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.264 -8.496 1.799 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.028 -8.695 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.946 -7.306 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.437 -8.319 0.986 1.00 0.00 H new ATOM 824 N VAL A 60 0.224 -5.465 0.677 1.00 0.00 N ATOM 825 CA VAL A 60 -1.037 -4.851 1.076 1.00 0.00 C ATOM 826 C VAL A 60 -1.713 -5.653 2.182 1.00 0.00 C ATOM 827 O VAL A 60 -2.217 -6.753 1.948 1.00 0.00 O ATOM 828 CB VAL A 60 -2.003 -4.727 -0.117 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.226 -3.909 0.268 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.294 -4.110 -1.314 1.00 0.00 C ATOM 0 H VAL A 60 0.138 -6.161 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.800 -3.854 1.447 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.338 -5.726 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.897 -3.832 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.745 -4.397 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.914 -2.911 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.991 -4.030 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.929 -3.118 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.453 -4.740 -1.603 1.00 0.00 H new ATOM 840 N LEU A 61 -1.722 -5.096 3.388 1.00 0.00 N ATOM 841 CA LEU A 61 -2.338 -5.759 4.532 1.00 0.00 C ATOM 842 C LEU A 61 -3.859 -5.665 4.463 1.00 0.00 C ATOM 843 O LEU A 61 -4.555 -6.678 4.520 1.00 0.00 O ATOM 844 CB LEU A 61 -1.836 -5.139 5.837 1.00 0.00 C ATOM 845 CG LEU A 61 -0.391 -5.459 6.221 1.00 0.00 C ATOM 846 CD1 LEU A 61 -0.173 -5.239 7.710 1.00 0.00 C ATOM 847 CD2 LEU A 61 -0.041 -6.889 5.835 1.00 0.00 C ATOM 0 H LEU A 61 -1.310 -4.187 3.599 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.056 -6.812 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.940 -4.056 5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.487 -5.469 6.646 1.00 0.00 H new ATOM 0 HG LEU A 61 0.268 -4.784 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.861 -5.472 7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.383 -4.199 7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.841 -5.889 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.991 -7.099 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.706 -7.579 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.157 -7.014 4.758 1.00 0.00 H new ATOM 859 N GLN A 62 -4.366 -4.443 4.336 1.00 0.00 N ATOM 860 CA GLN A 62 -5.804 -4.218 4.257 1.00 0.00 C ATOM 861 C GLN A 62 -6.112 -2.928 3.504 1.00 0.00 C ATOM 862 O GLN A 62 -5.297 -2.006 3.471 1.00 0.00 O ATOM 863 CB GLN A 62 -6.410 -4.161 5.660 1.00 0.00 C ATOM 864 CG GLN A 62 -5.855 -3.035 6.518 1.00 0.00 C ATOM 865 CD GLN A 62 -6.121 -3.241 7.996 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.191 -3.329 8.799 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.394 -3.320 8.364 1.00 0.00 N ATOM 0 H GLN A 62 -3.803 -3.594 4.286 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.248 -5.051 3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.490 -4.043 5.575 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.231 -5.111 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.780 -2.954 6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.297 -2.090 6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.133 -3.242 7.665 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.633 -3.459 9.346 1.00 0.00 H new ATOM 876 N LEU A 63 -7.294 -2.870 2.900 1.00 0.00 N ATOM 877 CA LEU A 63 -7.710 -1.693 2.146 1.00 0.00 C ATOM 878 C LEU A 63 -9.083 -1.210 2.604 1.00 0.00 C ATOM 879 O LEU A 63 -9.939 -2.009 2.981 1.00 0.00 O ATOM 880 CB LEU A 63 -7.741 -2.006 0.649 1.00 0.00 C ATOM 881 CG LEU A 63 -8.807 -1.274 -0.168 1.00 0.00 C ATOM 882 CD1 LEU A 63 -8.315 -1.024 -1.585 1.00 0.00 C ATOM 883 CD2 LEU A 63 -10.105 -2.069 -0.185 1.00 0.00 C ATOM 0 H LEU A 63 -7.981 -3.624 2.918 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.986 -0.900 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.764 -1.770 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.890 -3.079 0.525 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.000 -0.310 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.087 -0.502 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.412 -0.414 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.093 -1.976 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.852 -1.533 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.927 -3.047 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.467 -2.197 0.835 1.00 0.00 H new ATOM 895 N ASN A 64 -9.285 0.103 2.568 1.00 0.00 N ATOM 896 CA ASN A 64 -10.554 0.693 2.978 1.00 0.00 C ATOM 897 C ASN A 64 -11.076 0.031 4.250 1.00 0.00 C ATOM 898 O ASN A 64 -12.276 -0.199 4.394 1.00 0.00 O ATOM 899 CB ASN A 64 -11.589 0.558 1.859 1.00 0.00 C ATOM 900 CG ASN A 64 -11.116 1.175 0.557 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.380 0.650 -0.524 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.412 2.297 0.656 1.00 0.00 N ATOM 0 H ASN A 64 -8.586 0.779 2.259 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.385 1.750 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.811 -0.497 1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.519 1.036 2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.067 2.758 -0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.217 2.697 1.574 1.00 0.00 H new ATOM 909 N GLU A 65 -10.164 -0.273 5.169 1.00 0.00 N ATOM 910 CA GLU A 65 -10.533 -0.909 6.428 1.00 0.00 C ATOM 911 C GLU A 65 -11.138 -2.289 6.185 1.00 0.00 C ATOM 912 O GLU A 65 -12.064 -2.704 6.881 1.00 0.00 O ATOM 913 CB GLU A 65 -11.525 -0.033 7.196 1.00 0.00 C ATOM 914 CG GLU A 65 -10.998 1.358 7.504 1.00 0.00 C ATOM 915 CD GLU A 65 -12.107 2.356 7.774 1.00 0.00 C ATOM 916 OE1 GLU A 65 -12.526 2.474 8.944 1.00 0.00 O ATOM 917 OE2 GLU A 65 -12.557 3.018 6.815 1.00 0.00 O ATOM 0 H GLU A 65 -9.166 -0.089 5.065 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.628 -1.029 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.443 0.056 6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.786 -0.529 8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.339 1.309 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.396 1.708 6.666 1.00 0.00 H new ATOM 924 N ARG A 66 -10.607 -2.994 5.191 1.00 0.00 N ATOM 925 CA ARG A 66 -11.095 -4.325 4.853 1.00 0.00 C ATOM 926 C ARG A 66 -9.935 -5.300 4.674 1.00 0.00 C ATOM 927 O ARG A 66 -8.877 -4.954 4.148 1.00 0.00 O ATOM 928 CB ARG A 66 -11.936 -4.275 3.576 1.00 0.00 C ATOM 929 CG ARG A 66 -13.214 -3.465 3.720 1.00 0.00 C ATOM 930 CD ARG A 66 -13.988 -3.410 2.412 1.00 0.00 C ATOM 931 NE ARG A 66 -14.599 -4.695 2.083 1.00 0.00 N ATOM 932 CZ ARG A 66 -15.754 -5.110 2.590 1.00 0.00 C ATOM 933 NH1 ARG A 66 -16.420 -4.346 3.445 1.00 0.00 N ATOM 934 NH2 ARG A 66 -16.246 -6.293 2.242 1.00 0.00 N ATOM 0 H ARG A 66 -9.839 -2.665 4.606 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.718 -4.676 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.335 -3.850 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.192 -5.292 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.840 -3.905 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.970 -2.453 4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.763 -2.647 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.318 -3.111 1.606 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.112 -5.307 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.045 -3.437 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.307 -4.668 3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.737 -6.884 1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.133 -6.611 2.632 1.00 0.00 H new ATOM 948 N PRO A 67 -10.136 -6.548 5.121 1.00 0.00 N ATOM 949 CA PRO A 67 -9.118 -7.599 5.021 1.00 0.00 C ATOM 950 C PRO A 67 -8.888 -8.047 3.582 1.00 0.00 C ATOM 951 O PRO A 67 -9.807 -8.518 2.913 1.00 0.00 O ATOM 952 CB PRO A 67 -9.707 -8.743 5.850 1.00 0.00 C ATOM 953 CG PRO A 67 -11.179 -8.521 5.810 1.00 0.00 C ATOM 954 CD PRO A 67 -11.372 -7.031 5.759 1.00 0.00 C ATOM 0 HA PRO A 67 -8.144 -7.258 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.441 -9.713 5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.332 -8.725 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.623 -9.002 4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.662 -8.947 6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.255 -6.760 5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.501 -6.608 6.755 1.00 0.00 H new ATOM 962 N VAL A 68 -7.654 -7.898 3.111 1.00 0.00 N ATOM 963 CA VAL A 68 -7.302 -8.289 1.751 1.00 0.00 C ATOM 964 C VAL A 68 -6.055 -9.166 1.737 1.00 0.00 C ATOM 965 O VAL A 68 -5.415 -9.334 0.699 1.00 0.00 O ATOM 966 CB VAL A 68 -7.060 -7.058 0.858 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.263 -6.127 0.894 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.798 -6.327 1.288 1.00 0.00 C ATOM 0 H VAL A 68 -6.881 -7.509 3.651 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.146 -8.855 1.356 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.924 -7.398 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.074 -5.263 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.144 -6.657 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.434 -5.793 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.643 -5.460 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.902 -5.999 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.943 -6.998 1.205 1.00 0.00 H new ATOM 978 N GLU A 69 -5.716 -9.722 2.896 1.00 0.00 N ATOM 979 CA GLU A 69 -4.544 -10.582 3.015 1.00 0.00 C ATOM 980 C GLU A 69 -4.666 -11.798 2.101 1.00 0.00 C ATOM 981 O GLU A 69 -3.663 -12.345 1.640 1.00 0.00 O ATOM 982 CB GLU A 69 -4.364 -11.037 4.465 1.00 0.00 C ATOM 983 CG GLU A 69 -3.620 -10.033 5.330 1.00 0.00 C ATOM 984 CD GLU A 69 -3.787 -10.303 6.813 1.00 0.00 C ATOM 985 OE1 GLU A 69 -4.895 -10.710 7.219 1.00 0.00 O ATOM 986 OE2 GLU A 69 -2.811 -10.107 7.566 1.00 0.00 O ATOM 0 H GLU A 69 -6.235 -9.593 3.764 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.670 -10.006 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.345 -11.225 4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.824 -11.984 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.560 -10.057 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.979 -9.029 5.105 1.00 0.00 H new ATOM 993 N HIS A 70 -5.901 -12.216 1.843 1.00 0.00 N ATOM 994 CA HIS A 70 -6.154 -13.367 0.984 1.00 0.00 C ATOM 995 C HIS A 70 -6.873 -12.943 -0.294 1.00 0.00 C ATOM 996 O HIS A 70 -7.675 -13.697 -0.845 1.00 0.00 O ATOM 997 CB HIS A 70 -6.986 -14.412 1.728 1.00 0.00 C ATOM 998 CG HIS A 70 -8.457 -14.129 1.712 1.00 0.00 C ATOM 999 ND1 HIS A 70 -9.392 -15.033 1.254 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -9.153 -13.035 2.101 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -10.599 -14.508 1.362 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -10.482 -13.296 1.874 1.00 0.00 N ATOM 0 H HIS A 70 -6.742 -11.775 2.216 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.194 -13.805 0.712 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.808 -15.391 1.282 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.646 -14.466 2.762 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.184 -15.962 0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.740 -12.126 2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.524 -14.988 1.080 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.580 -11.734 -0.758 1.00 0.00 N ATOM 1012 CA TRP A 71 -7.199 -11.210 -1.970 1.00 0.00 C ATOM 1013 C TRP A 71 -6.211 -11.214 -3.131 1.00 0.00 C ATOM 1014 O TRP A 71 -5.021 -10.956 -2.948 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.718 -9.791 -1.731 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.897 -9.738 -0.806 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.287 -10.700 0.081 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.839 -8.667 -0.680 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.415 -10.292 0.751 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.773 -9.048 0.303 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.983 -7.423 -1.300 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.835 -8.230 0.677 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.038 -6.612 -0.928 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.953 -7.017 0.053 1.00 0.00 C ATOM 0 H TRP A 71 -5.918 -11.098 -0.314 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.037 -11.857 -2.228 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.914 -9.182 -1.318 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.995 -9.347 -2.687 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.783 -11.643 0.234 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.906 -10.828 1.466 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.282 -7.101 -2.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.541 -8.541 1.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.160 -5.649 -1.402 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.767 -6.360 0.322 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.711 -11.508 -4.327 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.872 -11.544 -5.519 1.00 0.00 C ATOM 1037 C LYS A 72 -6.011 -10.254 -6.321 1.00 0.00 C ATOM 1038 O LYS A 72 -7.000 -9.532 -6.188 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.245 -12.743 -6.394 1.00 0.00 C ATOM 1040 CG LYS A 72 -6.170 -14.074 -5.666 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.998 -15.231 -6.635 1.00 0.00 C ATOM 1042 CE LYS A 72 -7.340 -15.774 -7.099 1.00 0.00 C ATOM 1043 NZ LYS A 72 -7.201 -17.092 -7.779 1.00 0.00 N ATOM 0 H LYS A 72 -7.693 -11.725 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.834 -11.643 -5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.257 -12.603 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.580 -12.773 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.336 -14.059 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.077 -14.221 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.420 -14.901 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.429 -16.027 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.006 -15.876 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.804 -15.061 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.138 -17.428 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.586 -16.990 -8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.782 -17.780 -7.121 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.015 -9.970 -7.153 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.027 -8.766 -7.977 1.00 0.00 C ATOM 1059 C CYS A 73 -6.445 -8.427 -8.424 1.00 0.00 C ATOM 1060 O CYS A 73 -6.937 -7.325 -8.180 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.125 -8.951 -9.199 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.164 -7.567 -10.361 1.00 0.00 S ATOM 0 H CYS A 73 -4.189 -10.556 -7.275 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.648 -7.940 -7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.099 -9.099 -8.861 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.422 -9.860 -9.723 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.043 -7.520 -11.018 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.097 -9.381 -9.081 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.459 -9.183 -9.563 1.00 0.00 C ATOM 1070 C VAL A 74 -9.414 -8.898 -8.409 1.00 0.00 C ATOM 1071 O VAL A 74 -10.326 -8.081 -8.534 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.963 -10.413 -10.341 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.208 -10.563 -11.652 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.831 -11.670 -9.493 1.00 0.00 C ATOM 0 H VAL A 74 -6.704 -10.298 -9.292 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.436 -8.323 -10.233 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.018 -10.267 -10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.578 -11.437 -12.187 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.359 -9.673 -12.263 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.145 -10.686 -11.447 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.192 -12.530 -10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.785 -11.822 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.422 -11.559 -8.584 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.197 -9.577 -7.287 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.040 -9.396 -6.111 1.00 0.00 C ATOM 1086 C GLU A 75 -9.915 -7.977 -5.565 1.00 0.00 C ATOM 1087 O GLU A 75 -10.916 -7.314 -5.292 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.663 -10.407 -5.026 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.666 -10.479 -3.887 1.00 0.00 C ATOM 1090 CD GLU A 75 -11.980 -11.110 -4.306 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -12.654 -10.544 -5.191 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -12.333 -12.169 -3.747 1.00 0.00 O ATOM 0 H GLU A 75 -8.446 -10.257 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.075 -9.562 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.568 -11.394 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.685 -10.146 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.237 -11.053 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.854 -9.474 -3.509 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.678 -7.517 -5.408 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.421 -6.176 -4.894 1.00 0.00 C ATOM 1101 C LEU A 76 -8.865 -5.114 -5.895 1.00 0.00 C ATOM 1102 O LEU A 76 -9.736 -4.296 -5.600 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.933 -6.006 -4.580 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.550 -4.745 -3.805 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.536 -4.494 -2.674 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.133 -4.861 -3.263 1.00 0.00 C ATOM 0 H LEU A 76 -7.838 -8.052 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.997 -6.048 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.601 -6.874 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.381 -6.012 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.588 -3.897 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.248 -3.593 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.537 -4.366 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.531 -5.344 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.878 -3.954 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.068 -5.720 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.436 -4.992 -4.091 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.263 -5.135 -7.079 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.600 -4.178 -8.125 1.00 0.00 C ATOM 1120 C ALA A 77 -10.078 -3.805 -8.072 1.00 0.00 C ATOM 1121 O ALA A 77 -10.444 -2.646 -8.271 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.244 -4.742 -9.492 1.00 0.00 C ATOM 0 H ALA A 77 -7.539 -5.805 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.017 -3.272 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.501 -4.016 -10.263 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.175 -4.951 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.800 -5.664 -9.661 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.924 -4.795 -7.804 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.363 -4.570 -7.726 1.00 0.00 C ATOM 1130 C HIS A 78 -12.690 -3.499 -6.690 1.00 0.00 C ATOM 1131 O HIS A 78 -13.371 -2.520 -6.991 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.085 -5.872 -7.377 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.518 -5.676 -6.990 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.049 -6.146 -5.807 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.533 -5.056 -7.636 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.329 -5.824 -5.743 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.648 -5.161 -6.840 1.00 0.00 N ATOM 0 H HIS A 78 -10.638 -5.760 -7.637 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.706 -4.223 -8.701 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -13.037 -6.545 -8.233 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.559 -6.361 -6.557 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.477 -4.569 -8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.000 -6.062 -4.931 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.571 -4.788 -7.060 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.201 -3.695 -5.469 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.444 -2.746 -4.389 1.00 0.00 C ATOM 1148 C GLU A 79 -11.859 -1.377 -4.725 1.00 0.00 C ATOM 1149 O GLU A 79 -12.591 -0.399 -4.881 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.840 -3.263 -3.081 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.565 -2.770 -1.840 1.00 0.00 C ATOM 1152 CD GLU A 79 -14.039 -3.123 -1.846 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.825 -2.383 -2.474 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.408 -4.140 -1.222 1.00 0.00 O ATOM 0 H GLU A 79 -11.635 -4.501 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.522 -2.641 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.853 -4.353 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.795 -2.957 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.096 -3.200 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.455 -1.688 -1.765 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.536 -1.316 -4.835 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.853 -0.068 -5.153 1.00 0.00 C ATOM 1163 C ILE A 80 -10.664 0.766 -6.139 1.00 0.00 C ATOM 1164 O ILE A 80 -11.106 1.869 -5.817 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.455 -0.327 -5.746 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.569 -1.042 -4.724 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.816 0.982 -6.186 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.197 -1.395 -5.256 1.00 0.00 C ATOM 0 H ILE A 80 -9.916 -2.116 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.746 0.481 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.560 -0.969 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.457 -0.407 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.069 -1.954 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.829 0.783 -6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.441 1.455 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.720 1.647 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.624 -1.899 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.299 -2.056 -6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.678 -0.485 -5.557 1.00 0.00 H new ATOM 1180 N ARG A 81 -10.857 0.232 -7.340 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.616 0.927 -8.373 1.00 0.00 C ATOM 1182 C ARG A 81 -12.987 1.346 -7.851 1.00 0.00 C ATOM 1183 O ARG A 81 -13.487 2.421 -8.183 1.00 0.00 O ATOM 1184 CB ARG A 81 -11.778 0.034 -9.604 1.00 0.00 C ATOM 1185 CG ARG A 81 -10.487 -0.174 -10.380 1.00 0.00 C ATOM 1186 CD ARG A 81 -10.560 -1.412 -11.260 1.00 0.00 C ATOM 1187 NE ARG A 81 -9.604 -1.356 -12.363 1.00 0.00 N ATOM 1188 CZ ARG A 81 -9.696 -2.109 -13.453 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -10.694 -2.972 -13.586 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -8.787 -2.000 -14.414 1.00 0.00 N ATOM 0 H ARG A 81 -10.498 -0.680 -7.622 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.064 1.824 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.164 -0.936 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.523 0.474 -10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.287 0.702 -10.998 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.654 -0.270 -9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.365 -2.298 -10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.569 -1.514 -11.659 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.823 -0.703 -12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.394 -3.059 -12.850 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.761 -3.549 -14.425 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.018 -1.338 -14.315 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.858 -2.579 -15.251 1.00 0.00 H new ATOM 1204 N SER A 82 -13.590 0.489 -7.033 1.00 0.00 N ATOM 1205 CA SER A 82 -14.906 0.767 -6.469 1.00 0.00 C ATOM 1206 C SER A 82 -15.042 2.245 -6.113 1.00 0.00 C ATOM 1207 O SER A 82 -16.113 2.834 -6.264 1.00 0.00 O ATOM 1208 CB SER A 82 -15.143 -0.092 -5.226 1.00 0.00 C ATOM 1209 OG SER A 82 -16.528 -0.300 -5.006 1.00 0.00 O ATOM 0 H SER A 82 -13.188 -0.404 -6.746 1.00 0.00 H new ATOM 0 HA SER A 82 -15.656 0.521 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.642 -1.053 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.702 0.393 -4.355 1.00 0.00 H new ATOM 0 HG SER A 82 -16.653 -0.853 -4.207 1.00 0.00 H new ATOM 1215 N CYS A 83 -13.951 2.836 -5.641 1.00 0.00 N ATOM 1216 CA CYS A 83 -13.948 4.245 -5.262 1.00 0.00 C ATOM 1217 C CYS A 83 -13.167 5.078 -6.274 1.00 0.00 C ATOM 1218 O CYS A 83 -11.937 5.126 -6.258 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.345 4.418 -3.867 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.477 4.010 -2.518 1.00 0.00 S ATOM 0 H CYS A 83 -13.057 2.362 -5.511 1.00 0.00 H new ATOM 0 HA CYS A 83 -14.980 4.595 -5.249 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.458 3.789 -3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.015 5.450 -3.751 1.00 0.00 H new ATOM 0 HG CYS A 83 -13.876 4.185 -1.379 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.897 5.749 -7.177 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.294 6.592 -8.214 1.00 0.00 C ATOM 1228 C PRO A 84 -12.662 7.855 -7.639 1.00 0.00 C ATOM 1229 O PRO A 84 -11.561 8.243 -8.030 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.479 6.948 -9.115 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.673 6.841 -8.231 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.367 5.738 -7.254 1.00 0.00 C ATOM 0 HA PRO A 84 -12.484 6.081 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.378 7.954 -9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.551 6.266 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.860 7.781 -7.712 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.568 6.613 -8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.822 5.925 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.744 4.776 -7.602 1.00 0.00 H new ATOM 1240 N SER A 85 -13.366 8.493 -6.710 1.00 0.00 N ATOM 1241 CA SER A 85 -12.876 9.716 -6.084 1.00 0.00 C ATOM 1242 C SER A 85 -11.472 9.512 -5.522 1.00 0.00 C ATOM 1243 O SER A 85 -10.502 10.073 -6.029 1.00 0.00 O ATOM 1244 CB SER A 85 -13.825 10.159 -4.969 1.00 0.00 C ATOM 1245 OG SER A 85 -15.044 10.648 -5.502 1.00 0.00 O ATOM 0 H SER A 85 -14.278 8.184 -6.374 1.00 0.00 H new ATOM 0 HA SER A 85 -12.835 10.494 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.026 9.320 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.349 10.935 -4.369 1.00 0.00 H new ATOM 0 HG SER A 85 -15.634 10.923 -4.770 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.374 8.705 -4.470 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.090 8.428 -3.837 1.00 0.00 C ATOM 1253 C GLU A 86 -10.007 6.972 -3.389 1.00 0.00 C ATOM 1254 O GLU A 86 -10.973 6.219 -3.510 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.876 9.355 -2.639 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.287 10.705 -3.011 1.00 0.00 C ATOM 1257 CD GLU A 86 -10.349 11.729 -3.360 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -11.369 11.795 -2.643 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -10.160 12.465 -4.352 1.00 0.00 O ATOM 0 H GLU A 86 -12.168 8.232 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.305 8.609 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.830 9.511 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.215 8.864 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.688 11.077 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.614 10.582 -3.859 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.846 6.584 -2.872 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.637 5.219 -2.405 1.00 0.00 C ATOM 1268 C ILE A 87 -7.604 5.173 -1.285 1.00 0.00 C ATOM 1269 O ILE A 87 -6.610 5.900 -1.313 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.177 4.297 -3.550 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -6.827 4.764 -4.099 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.222 4.263 -4.656 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -5.641 4.122 -3.414 1.00 0.00 C ATOM 0 H ILE A 87 -8.036 7.195 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.596 4.865 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.059 3.287 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.782 4.545 -5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.756 5.846 -3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.882 3.607 -5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.164 3.888 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.369 5.269 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.718 4.500 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.661 4.362 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.688 3.041 -3.542 1.00 0.00 H new ATOM 1285 N ILE A 88 -7.845 4.313 -0.301 1.00 0.00 N ATOM 1286 CA ILE A 88 -6.933 4.171 0.828 1.00 0.00 C ATOM 1287 C ILE A 88 -6.456 2.730 0.971 1.00 0.00 C ATOM 1288 O ILE A 88 -7.254 1.818 1.191 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.597 4.612 2.146 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.109 6.049 2.028 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.614 4.487 3.301 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.136 6.413 3.078 1.00 0.00 C ATOM 0 H ILE A 88 -8.663 3.705 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.078 4.816 0.627 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.447 3.959 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.265 6.734 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.546 6.190 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.097 4.802 4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.293 3.450 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.747 5.120 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.454 7.445 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.998 5.752 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.697 6.304 4.070 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.148 2.531 0.845 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.562 1.200 0.961 1.00 0.00 C ATOM 1306 C LEU A 89 -3.450 1.184 2.004 1.00 0.00 C ATOM 1307 O LEU A 89 -2.563 2.039 1.996 1.00 0.00 O ATOM 1308 CB LEU A 89 -4.015 0.742 -0.392 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.852 1.558 -0.956 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.086 0.751 -1.993 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.358 2.861 -1.559 1.00 0.00 C ATOM 0 H LEU A 89 -4.474 3.274 0.663 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.345 0.512 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.694 -0.295 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.830 0.760 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.172 1.798 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.262 1.349 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.691 -0.154 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.755 0.479 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.517 3.429 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.059 2.641 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.861 3.447 -0.790 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.501 0.205 2.901 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.496 0.076 3.951 1.00 0.00 C ATOM 1325 C LEU A 90 -1.440 -0.956 3.569 1.00 0.00 C ATOM 1326 O LEU A 90 -1.765 -2.057 3.123 1.00 0.00 O ATOM 1327 CB LEU A 90 -3.158 -0.319 5.272 1.00 0.00 C ATOM 1328 CG LEU A 90 -2.213 -0.759 6.391 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.193 0.329 6.687 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.999 -1.112 7.645 1.00 0.00 C ATOM 0 H LEU A 90 -4.227 -0.511 2.922 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.006 1.042 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.743 0.528 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.859 -1.130 5.076 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.678 -1.649 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.529 -0.002 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.608 0.533 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.710 1.237 6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.310 -1.423 8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.561 -0.240 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.689 -1.926 7.425 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.174 -0.595 3.750 1.00 0.00 N ATOM 1343 CA VAL A 91 0.931 -1.490 3.428 1.00 0.00 C ATOM 1344 C VAL A 91 2.036 -1.399 4.475 1.00 0.00 C ATOM 1345 O VAL A 91 2.053 -0.481 5.294 1.00 0.00 O ATOM 1346 CB VAL A 91 1.524 -1.175 2.042 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.436 -1.190 0.980 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.241 0.167 2.063 1.00 0.00 C ATOM 0 H VAL A 91 0.112 0.312 4.118 1.00 0.00 H new ATOM 0 HA VAL A 91 0.526 -2.502 3.419 1.00 0.00 H new ATOM 0 HB VAL A 91 2.252 -1.947 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.874 -0.965 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.029 -2.175 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.318 -0.440 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.654 0.374 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.535 0.952 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.048 0.137 2.795 1.00 0.00 H new ATOM 1358 N TRP A 92 2.956 -2.356 4.440 1.00 0.00 N ATOM 1359 CA TRP A 92 4.066 -2.383 5.386 1.00 0.00 C ATOM 1360 C TRP A 92 5.352 -1.891 4.731 1.00 0.00 C ATOM 1361 O TRP A 92 5.719 -2.343 3.646 1.00 0.00 O ATOM 1362 CB TRP A 92 4.265 -3.798 5.930 1.00 0.00 C ATOM 1363 CG TRP A 92 5.581 -3.989 6.622 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.771 -4.325 6.043 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.838 -3.856 8.024 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.753 -4.410 7.000 1.00 0.00 N ATOM 1367 CE2 TRP A 92 7.207 -4.125 8.224 1.00 0.00 C ATOM 1368 CE3 TRP A 92 5.047 -3.533 9.130 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.797 -4.083 9.484 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.635 -3.492 10.380 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.999 -3.764 10.549 1.00 0.00 C ATOM 0 H TRP A 92 2.956 -3.123 3.768 1.00 0.00 H new ATOM 0 HA TRP A 92 3.823 -1.715 6.212 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.459 -4.028 6.627 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.188 -4.510 5.108 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.919 -4.499 4.987 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.730 -4.647 6.827 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.995 -3.319 9.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.848 -4.295 9.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 5.032 -3.246 11.242 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.429 -3.721 11.539 1.00 0.00 H new ATOM 1382 N ARG A 93 6.032 -0.962 5.395 1.00 0.00 N ATOM 1383 CA ARG A 93 7.277 -0.409 4.876 1.00 0.00 C ATOM 1384 C ARG A 93 8.422 -0.630 5.859 1.00 0.00 C ATOM 1385 O ARG A 93 8.269 -0.425 7.063 1.00 0.00 O ATOM 1386 CB ARG A 93 7.116 1.086 4.591 1.00 0.00 C ATOM 1387 CG ARG A 93 8.181 1.647 3.664 1.00 0.00 C ATOM 1388 CD ARG A 93 7.818 3.042 3.179 1.00 0.00 C ATOM 1389 NE ARG A 93 6.574 3.049 2.414 1.00 0.00 N ATOM 1390 CZ ARG A 93 5.954 4.159 2.029 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.460 5.346 2.336 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.825 4.084 1.336 1.00 0.00 N ATOM 0 H ARG A 93 5.742 -0.577 6.294 1.00 0.00 H new ATOM 0 HA ARG A 93 7.515 -0.926 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.134 1.260 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.143 1.632 5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.138 1.679 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.306 0.984 2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.721 3.710 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.626 3.432 2.560 1.00 0.00 H new ATOM 0 HE ARG A 93 6.158 2.152 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.327 5.408 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.982 6.197 2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.432 3.173 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.350 4.937 1.041 1.00 0.00 H new ATOM 1406 N VAL A 94 9.570 -1.050 5.338 1.00 0.00 N ATOM 1407 CA VAL A 94 10.742 -1.299 6.169 1.00 0.00 C ATOM 1408 C VAL A 94 11.899 -0.388 5.774 1.00 0.00 C ATOM 1409 O VAL A 94 12.169 -0.188 4.590 1.00 0.00 O ATOM 1410 CB VAL A 94 11.201 -2.766 6.068 1.00 0.00 C ATOM 1411 CG1 VAL A 94 11.512 -3.130 4.625 1.00 0.00 C ATOM 1412 CG2 VAL A 94 12.408 -3.008 6.961 1.00 0.00 C ATOM 0 H VAL A 94 9.714 -1.225 4.343 1.00 0.00 H new ATOM 0 HA VAL A 94 10.451 -1.087 7.198 1.00 0.00 H new ATOM 0 HB VAL A 94 10.390 -3.408 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.835 -4.170 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.618 -2.997 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.306 -2.485 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.719 -4.049 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.226 -2.359 6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.145 -2.790 7.996 1.00 0.00 H new ATOM 1422 N SER A 95 12.580 0.162 6.774 1.00 0.00 N ATOM 1423 CA SER A 95 13.707 1.055 6.532 1.00 0.00 C ATOM 1424 C SER A 95 15.029 0.354 6.827 1.00 0.00 C ATOM 1425 O SER A 95 15.206 -0.243 7.888 1.00 0.00 O ATOM 1426 CB SER A 95 13.582 2.314 7.392 1.00 0.00 C ATOM 1427 OG SER A 95 14.764 3.093 7.332 1.00 0.00 O ATOM 0 H SER A 95 12.371 0.005 7.760 1.00 0.00 H new ATOM 0 HA SER A 95 13.693 1.339 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.734 2.908 7.051 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.380 2.033 8.426 1.00 0.00 H new ATOM 0 HG SER A 95 14.657 3.892 7.889 1.00 0.00 H new ATOM 1433 N GLY A 96 15.957 0.430 5.877 1.00 0.00 N ATOM 1434 CA GLY A 96 17.252 -0.202 6.053 1.00 0.00 C ATOM 1435 C GLY A 96 18.395 0.684 5.600 1.00 0.00 C ATOM 1436 O GLY A 96 18.333 1.327 4.552 1.00 0.00 O ATOM 0 H GLY A 96 15.835 0.918 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.389 -0.457 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.276 -1.136 5.492 1.00 0.00 H new ATOM 1440 N PRO A 97 19.470 0.726 6.402 1.00 0.00 N ATOM 1441 CA PRO A 97 20.652 1.537 6.098 1.00 0.00 C ATOM 1442 C PRO A 97 21.439 0.994 4.910 1.00 0.00 C ATOM 1443 O PRO A 97 22.489 1.528 4.553 1.00 0.00 O ATOM 1444 CB PRO A 97 21.485 1.443 7.379 1.00 0.00 C ATOM 1445 CG PRO A 97 21.066 0.160 8.010 1.00 0.00 C ATOM 1446 CD PRO A 97 19.613 -0.015 7.666 1.00 0.00 C ATOM 0 HA PRO A 97 20.386 2.557 5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.552 1.446 7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 97 21.294 2.290 8.039 1.00 0.00 H new ATOM 0 HG2 PRO A 97 21.659 -0.673 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 97 21.210 0.191 9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 97 19.352 -1.067 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 97 18.965 0.388 8.444 1.00 0.00 H new ATOM 1454 N SER A 98 20.924 -0.069 4.302 1.00 0.00 N ATOM 1455 CA SER A 98 21.580 -0.687 3.155 1.00 0.00 C ATOM 1456 C SER A 98 22.270 0.366 2.293 1.00 0.00 C ATOM 1457 O SER A 98 21.753 1.467 2.105 1.00 0.00 O ATOM 1458 CB SER A 98 20.563 -1.463 2.316 1.00 0.00 C ATOM 1459 OG SER A 98 21.204 -2.439 1.512 1.00 0.00 O ATOM 0 H SER A 98 20.054 -0.521 4.584 1.00 0.00 H new ATOM 0 HA SER A 98 22.335 -1.379 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.839 -1.946 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.008 -0.772 1.682 1.00 0.00 H new ATOM 0 HG SER A 98 20.533 -2.922 0.987 1.00 0.00 H new ATOM 1465 N SER A 99 23.442 0.018 1.771 1.00 0.00 N ATOM 1466 CA SER A 99 24.207 0.933 0.931 1.00 0.00 C ATOM 1467 C SER A 99 24.134 0.515 -0.534 1.00 0.00 C ATOM 1468 O SER A 99 24.049 1.356 -1.428 1.00 0.00 O ATOM 1469 CB SER A 99 25.666 0.978 1.388 1.00 0.00 C ATOM 1470 OG SER A 99 26.310 2.152 0.923 1.00 0.00 O ATOM 0 H SER A 99 23.883 -0.891 1.915 1.00 0.00 H new ATOM 0 HA SER A 99 23.772 1.928 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 99 25.711 0.942 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 99 26.194 0.099 1.018 1.00 0.00 H new ATOM 0 HG SER A 99 27.241 2.158 1.230 1.00 0.00 H new ATOM 1476 N GLY A 100 24.168 -0.793 -0.773 1.00 0.00 N ATOM 1477 CA GLY A 100 24.105 -1.301 -2.131 1.00 0.00 C ATOM 1478 C GLY A 100 25.103 -2.414 -2.380 1.00 0.00 C ATOM 1479 O GLY A 100 24.882 -3.556 -1.976 1.00 0.00 O ATOM 0 H GLY A 100 24.238 -1.509 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 100 23.099 -1.668 -2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 100 24.293 -0.486 -2.830 1.00 0.00 H new TER 1483 GLY A 100