USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 799 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 58 ASN : amide:sc= 0.0384 X(o=-2.3,f=-2.4) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -2.35! C(o=-2.7!,f=-2.3!) USER MOD Set 2.1: A 51 THR OG1 : rot 102:sc= 1.27 USER MOD Set 2.2: A 52 HIS : no HD1:sc= -0.298 K(o=0.97,f=-7.7!) 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.06 K(o=-2.1,f=-2.6!) USER MOD Single : A 16 CYS SG : rot 65:sc= 1.01 USER MOD Single : A 19 SER OG : rot 180:sc= -1.04 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -2.13 F(o=-3.6!,f=-2.1) USER MOD Single : A 30 SER OG : rot 77:sc= 0.635 USER MOD Single : A 31 MET CE :methyl -163:sc= 0 (180deg=-0.382) USER MOD Single : A 34 MET CE :methyl -116:sc= 0 (180deg=-0.0662) USER MOD Single : A 35 THR OG1 : rot 67:sc= -0.0941 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.861 K(o=-0.86,f=-1.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -72:sc= 0.459 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 141:sc= -0.501 (180deg=-2.23!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0381) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 82:sc= 0.359 USER MOD Single : A 84 GLN : amide:sc= -0.526 K(o=-0.53,f=-3.7!) USER MOD Single : A 85 MET CE :methyl -179:sc= -3.74! (180deg=-3.9!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 142:sc= -0.198 (180deg=-0.765) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -124:sc= 0.0614 USER MOD Single : A 98 LYS NZ :NH3+ -152:sc=0.000585 (180deg=-0.13) USER MOD Single : A 100 ASN : amide:sc= -0.771 X(o=-0.77,f=-0.48) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -53:sc= 0.0767 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.735 33.582 -10.391 1.00 0.00 N ATOM 2 CA GLY A 1 -18.413 32.402 -9.610 1.00 0.00 C ATOM 3 C GLY A 1 -17.236 31.634 -10.179 1.00 0.00 C ATOM 4 O GLY A 1 -17.346 30.444 -10.472 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.546 34.072 -9.962 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.914 34.221 -10.409 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.976 33.300 -11.363 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.189 32.698 -8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.284 31.748 -9.569 1.00 0.00 H new ATOM 8 N SER A 2 -16.107 32.317 -10.338 1.00 0.00 N ATOM 9 CA SER A 2 -14.906 31.693 -10.881 1.00 0.00 C ATOM 10 C SER A 2 -14.016 31.162 -9.762 1.00 0.00 C ATOM 11 O SER A 2 -13.448 31.933 -8.988 1.00 0.00 O ATOM 12 CB SER A 2 -14.128 32.694 -11.737 1.00 0.00 C ATOM 13 OG SER A 2 -14.704 32.821 -13.025 1.00 0.00 O ATOM 0 H SER A 2 -15.999 33.303 -10.099 1.00 0.00 H new ATOM 0 HA SER A 2 -15.213 30.854 -11.506 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.115 33.666 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.091 32.370 -11.829 1.00 0.00 H new ATOM 0 HG SER A 2 -14.189 33.468 -13.551 1.00 0.00 H new ATOM 19 N SER A 3 -13.899 29.840 -9.683 1.00 0.00 N ATOM 20 CA SER A 3 -13.081 29.205 -8.657 1.00 0.00 C ATOM 21 C SER A 3 -11.782 28.670 -9.251 1.00 0.00 C ATOM 22 O SER A 3 -11.694 28.415 -10.452 1.00 0.00 O ATOM 23 CB SER A 3 -13.856 28.068 -7.988 1.00 0.00 C ATOM 24 OG SER A 3 -15.047 28.547 -7.387 1.00 0.00 O ATOM 0 H SER A 3 -14.361 29.188 -10.317 1.00 0.00 H new ATOM 0 HA SER A 3 -12.834 29.957 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.099 27.305 -8.728 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.230 27.592 -7.233 1.00 0.00 H new ATOM 0 HG SER A 3 -15.525 27.801 -6.968 1.00 0.00 H new ATOM 30 N GLY A 4 -10.774 28.501 -8.400 1.00 0.00 N ATOM 31 CA GLY A 4 -9.493 27.997 -8.859 1.00 0.00 C ATOM 32 C GLY A 4 -8.360 28.350 -7.916 1.00 0.00 C ATOM 33 O GLY A 4 -7.993 29.518 -7.786 1.00 0.00 O ATOM 0 H GLY A 4 -10.822 28.704 -7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.549 26.914 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.279 28.404 -9.847 1.00 0.00 H new ATOM 37 N SER A 5 -7.805 27.340 -7.255 1.00 0.00 N ATOM 38 CA SER A 5 -6.710 27.550 -6.315 1.00 0.00 C ATOM 39 C SER A 5 -5.375 27.152 -6.937 1.00 0.00 C ATOM 40 O SER A 5 -5.309 26.241 -7.762 1.00 0.00 O ATOM 41 CB SER A 5 -6.948 26.748 -5.034 1.00 0.00 C ATOM 42 OG SER A 5 -6.758 25.362 -5.259 1.00 0.00 O ATOM 0 H SER A 5 -8.096 26.367 -7.353 1.00 0.00 H new ATOM 0 HA SER A 5 -6.674 28.611 -6.069 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.267 27.090 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.961 26.926 -4.672 1.00 0.00 H new ATOM 0 HG SER A 5 -6.914 24.871 -4.425 1.00 0.00 H new ATOM 48 N SER A 6 -4.313 27.843 -6.536 1.00 0.00 N ATOM 49 CA SER A 6 -2.979 27.566 -7.056 1.00 0.00 C ATOM 50 C SER A 6 -2.293 26.475 -6.239 1.00 0.00 C ATOM 51 O SER A 6 -1.965 26.673 -5.070 1.00 0.00 O ATOM 52 CB SER A 6 -2.129 28.838 -7.045 1.00 0.00 C ATOM 53 OG SER A 6 -0.900 28.635 -7.719 1.00 0.00 O ATOM 0 H SER A 6 -4.350 28.599 -5.852 1.00 0.00 H new ATOM 0 HA SER A 6 -3.082 27.216 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.678 29.650 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.937 29.142 -6.016 1.00 0.00 H new ATOM 0 HG SER A 6 -0.376 29.463 -7.700 1.00 0.00 H new ATOM 59 N GLY A 7 -2.081 25.321 -6.864 1.00 0.00 N ATOM 60 CA GLY A 7 -1.436 24.215 -6.181 1.00 0.00 C ATOM 61 C GLY A 7 -2.061 22.878 -6.524 1.00 0.00 C ATOM 62 O GLY A 7 -3.276 22.779 -6.699 1.00 0.00 O ATOM 0 H GLY A 7 -2.344 25.132 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.378 24.196 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.493 24.374 -5.104 1.00 0.00 H new ATOM 66 N PHE A 8 -1.231 21.845 -6.621 1.00 0.00 N ATOM 67 CA PHE A 8 -1.709 20.507 -6.948 1.00 0.00 C ATOM 68 C PHE A 8 -1.125 19.472 -5.991 1.00 0.00 C ATOM 69 O PHE A 8 0.030 19.575 -5.575 1.00 0.00 O ATOM 70 CB PHE A 8 -1.343 20.149 -8.390 1.00 0.00 C ATOM 71 CG PHE A 8 0.030 20.607 -8.791 1.00 0.00 C ATOM 72 CD1 PHE A 8 1.140 19.818 -8.536 1.00 0.00 C ATOM 73 CD2 PHE A 8 0.211 21.826 -9.423 1.00 0.00 C ATOM 74 CE1 PHE A 8 2.404 20.237 -8.903 1.00 0.00 C ATOM 75 CE2 PHE A 8 1.473 22.251 -9.793 1.00 0.00 C ATOM 76 CZ PHE A 8 2.571 21.455 -9.534 1.00 0.00 C ATOM 0 H PHE A 8 -0.223 21.909 -6.478 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.794 20.501 -6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.408 19.068 -8.515 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.076 20.592 -9.063 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.016 18.864 -8.045 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.644 22.452 -9.629 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.261 19.613 -8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.600 23.204 -10.284 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.558 21.784 -9.824 1.00 0.00 H new ATOM 86 N LYS A 9 -1.930 18.473 -5.645 1.00 0.00 N ATOM 87 CA LYS A 9 -1.496 17.417 -4.738 1.00 0.00 C ATOM 88 C LYS A 9 -2.252 16.121 -5.010 1.00 0.00 C ATOM 89 O LYS A 9 -3.445 16.138 -5.311 1.00 0.00 O ATOM 90 CB LYS A 9 -1.705 17.847 -3.285 1.00 0.00 C ATOM 91 CG LYS A 9 -0.833 17.092 -2.296 1.00 0.00 C ATOM 92 CD LYS A 9 -0.642 17.877 -1.009 1.00 0.00 C ATOM 93 CE LYS A 9 -1.918 17.909 -0.181 1.00 0.00 C ATOM 94 NZ LYS A 9 -1.948 19.073 0.748 1.00 0.00 N ATOM 0 H LYS A 9 -2.888 18.373 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.434 17.240 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.499 18.914 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.752 17.701 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.288 16.127 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.138 16.889 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.161 17.429 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.335 18.896 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.781 17.952 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.003 16.985 0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.833 19.059 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.139 19.019 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.893 19.956 0.201 1.00 0.00 H new ATOM 108 N VAL A 10 -1.550 14.998 -4.901 1.00 0.00 N ATOM 109 CA VAL A 10 -2.156 13.692 -5.133 1.00 0.00 C ATOM 110 C VAL A 10 -1.749 12.698 -4.051 1.00 0.00 C ATOM 111 O VAL A 10 -0.595 12.642 -3.626 1.00 0.00 O ATOM 112 CB VAL A 10 -1.760 13.126 -6.509 1.00 0.00 C ATOM 113 CG1 VAL A 10 -2.349 11.737 -6.705 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.208 14.064 -7.620 1.00 0.00 C ATOM 0 H VAL A 10 -0.561 14.966 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.236 13.835 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.674 13.044 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.058 11.353 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.975 11.070 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.436 11.791 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.920 13.648 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.291 14.180 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.734 15.037 -7.488 1.00 0.00 H new ATOM 124 N PRO A 11 -2.719 11.892 -3.593 1.00 0.00 N ATOM 125 CA PRO A 11 -2.486 10.884 -2.555 1.00 0.00 C ATOM 126 C PRO A 11 -1.626 9.727 -3.053 1.00 0.00 C ATOM 127 O PRO A 11 -1.558 9.443 -4.248 1.00 0.00 O ATOM 128 CB PRO A 11 -3.896 10.393 -2.214 1.00 0.00 C ATOM 129 CG PRO A 11 -4.696 10.657 -3.443 1.00 0.00 C ATOM 130 CD PRO A 11 -4.118 11.903 -4.054 1.00 0.00 C ATOM 0 HA PRO A 11 -1.945 11.295 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.896 9.333 -1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.303 10.925 -1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.635 9.818 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.750 10.794 -3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.183 11.884 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.645 12.797 -3.719 1.00 0.00 H new ATOM 138 N PRO A 12 -0.953 9.043 -2.115 1.00 0.00 N ATOM 139 CA PRO A 12 -0.085 7.906 -2.436 1.00 0.00 C ATOM 140 C PRO A 12 -0.875 6.686 -2.898 1.00 0.00 C ATOM 141 O PRO A 12 -0.298 5.674 -3.294 1.00 0.00 O ATOM 142 CB PRO A 12 0.621 7.614 -1.110 1.00 0.00 C ATOM 143 CG PRO A 12 -0.306 8.132 -0.065 1.00 0.00 C ATOM 144 CD PRO A 12 -0.987 9.327 -0.671 1.00 0.00 C ATOM 0 HA PRO A 12 0.596 8.132 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.802 6.546 -0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.590 8.110 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.033 7.373 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.239 8.409 0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.009 9.435 -0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.464 10.252 -0.431 1.00 0.00 H new ATOM 152 N PHE A 13 -2.199 6.790 -2.845 1.00 0.00 N ATOM 153 CA PHE A 13 -3.068 5.695 -3.258 1.00 0.00 C ATOM 154 C PHE A 13 -4.062 6.159 -4.319 1.00 0.00 C ATOM 155 O PHE A 13 -5.028 5.461 -4.627 1.00 0.00 O ATOM 156 CB PHE A 13 -3.821 5.130 -2.052 1.00 0.00 C ATOM 157 CG PHE A 13 -2.917 4.569 -0.991 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.785 3.849 -1.337 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.201 4.761 0.352 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.951 3.331 -0.363 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.371 4.246 1.329 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.245 3.530 0.972 1.00 0.00 C ATOM 0 H PHE A 13 -2.693 7.621 -2.520 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.443 4.912 -3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.435 5.917 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.500 4.347 -2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.551 3.690 -2.379 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.080 5.319 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.071 2.772 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.603 4.403 2.372 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.596 3.127 1.735 1.00 0.00 H new ATOM 172 N GLN A 14 -3.817 7.342 -4.873 1.00 0.00 N ATOM 173 CA GLN A 14 -4.690 7.901 -5.898 1.00 0.00 C ATOM 174 C GLN A 14 -5.114 6.828 -6.896 1.00 0.00 C ATOM 175 O GLN A 14 -4.283 6.267 -7.609 1.00 0.00 O ATOM 176 CB GLN A 14 -3.986 9.045 -6.630 1.00 0.00 C ATOM 177 CG GLN A 14 -4.850 9.715 -7.687 1.00 0.00 C ATOM 178 CD GLN A 14 -5.776 10.764 -7.104 1.00 0.00 C ATOM 179 OE1 GLN A 14 -5.575 11.963 -7.299 1.00 0.00 O ATOM 180 NE2 GLN A 14 -6.798 10.318 -6.382 1.00 0.00 N ATOM 0 H GLN A 14 -3.021 7.932 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.583 8.288 -5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.673 9.793 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.082 8.661 -7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.208 10.179 -8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.442 8.958 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.927 9.315 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.454 10.978 -5.964 1.00 0.00 H new ATOM 189 N ASP A 15 -6.412 6.548 -6.939 1.00 0.00 N ATOM 190 CA ASP A 15 -6.947 5.543 -7.850 1.00 0.00 C ATOM 191 C ASP A 15 -6.182 4.229 -7.720 1.00 0.00 C ATOM 192 O ASP A 15 -5.902 3.561 -8.716 1.00 0.00 O ATOM 193 CB ASP A 15 -6.882 6.044 -9.293 1.00 0.00 C ATOM 194 CG ASP A 15 -7.357 7.477 -9.430 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.134 7.930 -8.564 1.00 0.00 O ATOM 196 OD2 ASP A 15 -6.953 8.146 -10.405 1.00 0.00 O ATOM 0 H ASP A 15 -7.113 7.003 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.989 5.365 -7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.857 5.968 -9.655 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.492 5.400 -9.926 1.00 0.00 H new ATOM 201 N CYS A 16 -5.847 3.866 -6.487 1.00 0.00 N ATOM 202 CA CYS A 16 -5.112 2.633 -6.226 1.00 0.00 C ATOM 203 C CYS A 16 -5.721 1.875 -5.051 1.00 0.00 C ATOM 204 O CYS A 16 -5.712 2.356 -3.918 1.00 0.00 O ATOM 205 CB CYS A 16 -3.641 2.942 -5.942 1.00 0.00 C ATOM 206 SG CYS A 16 -2.826 3.903 -7.238 1.00 0.00 S ATOM 0 H CYS A 16 -6.072 4.407 -5.652 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.179 2.004 -7.114 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.570 3.488 -5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.103 2.004 -5.807 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.363 5.085 -7.305 1.00 0.00 H new ATOM 212 N ILE A 17 -6.252 0.689 -5.330 1.00 0.00 N ATOM 213 CA ILE A 17 -6.866 -0.134 -4.296 1.00 0.00 C ATOM 214 C ILE A 17 -5.842 -1.063 -3.652 1.00 0.00 C ATOM 215 O ILE A 17 -4.943 -1.573 -4.322 1.00 0.00 O ATOM 216 CB ILE A 17 -8.023 -0.978 -4.862 1.00 0.00 C ATOM 217 CG1 ILE A 17 -9.022 -0.084 -5.599 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.714 -1.746 -3.745 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.749 -0.788 -6.723 1.00 0.00 C ATOM 0 H ILE A 17 -6.269 0.277 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.259 0.548 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.615 -1.697 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.754 0.295 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.494 0.780 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.529 -2.338 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.996 -2.408 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.112 -1.044 -3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.440 -0.094 -7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.026 -1.143 -7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.305 -1.636 -6.322 1.00 0.00 H new ATOM 231 N LEU A 18 -5.985 -1.280 -2.350 1.00 0.00 N ATOM 232 CA LEU A 18 -5.073 -2.150 -1.615 1.00 0.00 C ATOM 233 C LEU A 18 -5.837 -3.264 -0.905 1.00 0.00 C ATOM 234 O LEU A 18 -6.791 -3.006 -0.171 1.00 0.00 O ATOM 235 CB LEU A 18 -4.271 -1.338 -0.597 1.00 0.00 C ATOM 236 CG LEU A 18 -3.351 -0.261 -1.173 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.378 -0.868 -2.172 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.168 0.845 -1.826 1.00 0.00 C ATOM 0 H LEU A 18 -6.723 -0.866 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.387 -2.603 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.970 -0.861 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.666 -2.027 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.776 0.174 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.732 -0.086 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.770 -1.623 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.935 -1.330 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.497 1.603 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.769 0.425 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.824 1.300 -1.083 1.00 0.00 H new ATOM 250 N SER A 19 -5.409 -4.503 -1.127 1.00 0.00 N ATOM 251 CA SER A 19 -6.053 -5.656 -0.510 1.00 0.00 C ATOM 252 C SER A 19 -5.200 -6.211 0.627 1.00 0.00 C ATOM 253 O SER A 19 -3.979 -6.050 0.638 1.00 0.00 O ATOM 254 CB SER A 19 -6.303 -6.746 -1.554 1.00 0.00 C ATOM 255 OG SER A 19 -5.257 -6.787 -2.510 1.00 0.00 O ATOM 0 H SER A 19 -4.619 -4.734 -1.730 1.00 0.00 H new ATOM 0 HA SER A 19 -7.008 -5.331 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.387 -7.714 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.252 -6.561 -2.057 1.00 0.00 H new ATOM 0 HG SER A 19 -5.440 -7.493 -3.165 1.00 0.00 H new ATOM 261 N PHE A 20 -5.852 -6.866 1.582 1.00 0.00 N ATOM 262 CA PHE A 20 -5.155 -7.444 2.725 1.00 0.00 C ATOM 263 C PHE A 20 -5.603 -8.884 2.963 1.00 0.00 C ATOM 264 O PHE A 20 -6.784 -9.207 2.837 1.00 0.00 O ATOM 265 CB PHE A 20 -5.406 -6.606 3.980 1.00 0.00 C ATOM 266 CG PHE A 20 -5.409 -5.126 3.722 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.261 -4.483 3.287 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.559 -4.378 3.915 1.00 0.00 C ATOM 269 CE1 PHE A 20 -4.261 -3.122 3.048 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.565 -3.017 3.677 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.414 -2.388 3.245 1.00 0.00 C ATOM 0 H PHE A 20 -6.862 -7.010 1.587 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.087 -7.445 2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.364 -6.893 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.640 -6.836 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.356 -5.052 3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.461 -4.864 4.255 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.360 -2.633 2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.469 -2.446 3.829 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.416 -1.324 3.062 1.00 0.00 H new ATOM 281 N LEU A 21 -4.650 -9.743 3.307 1.00 0.00 N ATOM 282 CA LEU A 21 -4.945 -11.149 3.562 1.00 0.00 C ATOM 283 C LEU A 21 -4.105 -11.680 4.720 1.00 0.00 C ATOM 284 O LEU A 21 -2.892 -11.847 4.594 1.00 0.00 O ATOM 285 CB LEU A 21 -4.686 -11.982 2.305 1.00 0.00 C ATOM 286 CG LEU A 21 -4.625 -13.496 2.504 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.007 -14.051 2.812 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.039 -14.173 1.273 1.00 0.00 C ATOM 0 H LEU A 21 -3.668 -9.491 3.416 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.998 -11.230 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.470 -11.762 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.744 -11.655 1.865 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.975 -13.705 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.943 -15.130 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.389 -13.590 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.680 -13.831 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.003 -15.251 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.663 -13.955 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.031 -13.799 1.097 1.00 0.00 H new ATOM 300 N GLY A 22 -4.759 -11.945 5.847 1.00 0.00 N ATOM 301 CA GLY A 22 -4.056 -12.456 7.009 1.00 0.00 C ATOM 302 C GLY A 22 -4.371 -11.672 8.268 1.00 0.00 C ATOM 303 O GLY A 22 -4.797 -12.242 9.273 1.00 0.00 O ATOM 0 H GLY A 22 -5.762 -11.815 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.322 -13.502 7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.982 -12.424 6.824 1.00 0.00 H new ATOM 307 N PHE A 23 -4.160 -10.361 8.215 1.00 0.00 N ATOM 308 CA PHE A 23 -4.421 -9.498 9.360 1.00 0.00 C ATOM 309 C PHE A 23 -5.806 -9.770 9.942 1.00 0.00 C ATOM 310 O PHE A 23 -6.738 -10.117 9.217 1.00 0.00 O ATOM 311 CB PHE A 23 -4.306 -8.027 8.954 1.00 0.00 C ATOM 312 CG PHE A 23 -3.127 -7.740 8.070 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.218 -7.902 6.697 1.00 0.00 C ATOM 314 CD2 PHE A 23 -1.927 -7.308 8.612 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.134 -7.638 5.880 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.840 -7.042 7.801 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.944 -7.208 6.433 1.00 0.00 C ATOM 0 H PHE A 23 -3.809 -9.873 7.391 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.675 -9.716 10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.218 -7.728 8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.234 -7.415 9.853 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.146 -8.238 6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.840 -7.178 9.681 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.218 -7.768 4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.089 -6.705 8.236 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.096 -7.002 5.797 1.00 0.00 H new ATOM 327 N SER A 24 -5.931 -9.610 11.255 1.00 0.00 N ATOM 328 CA SER A 24 -7.200 -9.842 11.936 1.00 0.00 C ATOM 329 C SER A 24 -8.230 -8.789 11.540 1.00 0.00 C ATOM 330 O SER A 24 -7.895 -7.620 11.346 1.00 0.00 O ATOM 331 CB SER A 24 -6.999 -9.830 13.452 1.00 0.00 C ATOM 332 OG SER A 24 -8.234 -9.676 14.129 1.00 0.00 O ATOM 0 H SER A 24 -5.170 -9.321 11.869 1.00 0.00 H new ATOM 0 HA SER A 24 -7.572 -10.821 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.522 -10.758 13.766 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.326 -9.017 13.726 1.00 0.00 H new ATOM 0 HG SER A 24 -8.079 -9.673 15.097 1.00 0.00 H new ATOM 338 N ASP A 25 -9.484 -9.211 11.422 1.00 0.00 N ATOM 339 CA ASP A 25 -10.564 -8.305 11.050 1.00 0.00 C ATOM 340 C ASP A 25 -10.320 -6.908 11.612 1.00 0.00 C ATOM 341 O ASP A 25 -10.588 -5.907 10.949 1.00 0.00 O ATOM 342 CB ASP A 25 -11.905 -8.843 11.552 1.00 0.00 C ATOM 343 CG ASP A 25 -12.019 -10.347 11.400 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.419 -11.074 12.220 1.00 0.00 O ATOM 345 OD2 ASP A 25 -12.709 -10.798 10.461 1.00 0.00 O ATOM 0 H ASP A 25 -9.778 -10.175 11.579 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.591 -8.239 9.962 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.030 -8.576 12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.715 -8.363 11.002 1.00 0.00 H new ATOM 350 N GLU A 26 -9.810 -6.850 12.838 1.00 0.00 N ATOM 351 CA GLU A 26 -9.532 -5.576 13.489 1.00 0.00 C ATOM 352 C GLU A 26 -8.417 -4.827 12.765 1.00 0.00 C ATOM 353 O GLU A 26 -8.617 -3.714 12.280 1.00 0.00 O ATOM 354 CB GLU A 26 -9.144 -5.799 14.953 1.00 0.00 C ATOM 355 CG GLU A 26 -10.319 -6.160 15.845 1.00 0.00 C ATOM 356 CD GLU A 26 -10.064 -5.838 17.305 1.00 0.00 C ATOM 357 OE1 GLU A 26 -9.256 -6.551 17.936 1.00 0.00 O ATOM 358 OE2 GLU A 26 -10.671 -4.874 17.816 1.00 0.00 O ATOM 0 H GLU A 26 -9.581 -7.670 13.400 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.438 -4.972 13.449 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.400 -6.594 15.006 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.672 -4.895 15.337 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.205 -5.622 15.508 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.534 -7.224 15.744 1.00 0.00 H new ATOM 365 N GLU A 27 -7.242 -5.446 12.697 1.00 0.00 N ATOM 366 CA GLU A 27 -6.095 -4.838 12.034 1.00 0.00 C ATOM 367 C GLU A 27 -6.429 -4.481 10.588 1.00 0.00 C ATOM 368 O GLU A 27 -5.989 -3.454 10.072 1.00 0.00 O ATOM 369 CB GLU A 27 -4.894 -5.784 12.074 1.00 0.00 C ATOM 370 CG GLU A 27 -4.190 -5.819 13.420 1.00 0.00 C ATOM 371 CD GLU A 27 -5.157 -5.736 14.585 1.00 0.00 C ATOM 372 OE1 GLU A 27 -5.728 -4.648 14.806 1.00 0.00 O ATOM 373 OE2 GLU A 27 -5.342 -6.759 15.276 1.00 0.00 O ATOM 0 H GLU A 27 -7.060 -6.368 13.093 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.843 -3.921 12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.227 -6.791 11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.180 -5.483 11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.610 -6.738 13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.484 -4.991 13.479 1.00 0.00 H new ATOM 380 N LYS A 28 -7.209 -5.339 9.939 1.00 0.00 N ATOM 381 CA LYS A 28 -7.604 -5.117 8.553 1.00 0.00 C ATOM 382 C LYS A 28 -8.556 -3.931 8.442 1.00 0.00 C ATOM 383 O LYS A 28 -8.233 -2.962 7.756 1.00 0.00 O ATOM 384 CB LYS A 28 -8.267 -6.373 7.982 1.00 0.00 C ATOM 385 CG LYS A 28 -8.325 -6.394 6.465 1.00 0.00 C ATOM 386 CD LYS A 28 -9.547 -7.145 5.964 1.00 0.00 C ATOM 387 CE LYS A 28 -9.517 -8.605 6.389 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.256 -9.476 5.434 1.00 0.00 N ATOM 0 H LYS A 28 -7.580 -6.195 10.351 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.706 -4.894 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.722 -7.251 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.280 -6.450 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.345 -5.372 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.423 -6.862 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.450 -6.671 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.593 -7.082 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.483 -8.941 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.954 -8.703 7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.212 -10.463 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.249 -9.172 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.824 -9.402 4.491 1.00 0.00 H new ATOM 402 N HIS A 29 -9.695 -4.030 9.111 1.00 0.00 N ATOM 403 CA HIS A 29 -10.678 -2.960 9.079 1.00 0.00 C ATOM 404 C HIS A 29 -9.973 -1.611 9.239 1.00 0.00 C ATOM 405 O HIS A 29 -10.382 -0.591 8.685 1.00 0.00 O ATOM 406 CB HIS A 29 -11.765 -3.189 10.130 1.00 0.00 C ATOM 407 CG HIS A 29 -12.664 -4.367 9.838 1.00 0.00 C ATOM 408 ND1 HIS A 29 -12.409 -5.546 9.201 1.00 0.00 N flip ATOM 409 CD2 HIS A 29 -13.995 -4.406 10.214 1.00 0.00 C flip ATOM 410 CE1 HIS A 29 -13.523 -6.267 9.191 1.00 0.00 C flip ATOM 411 NE2 HIS A 29 -14.508 -5.562 9.817 1.00 0.00 N flip ATOM 0 H HIS A 29 -9.959 -4.835 9.679 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.184 -2.955 8.113 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.292 -3.338 11.101 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -12.376 -2.290 10.208 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -14.526 -3.627 10.741 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.632 -7.251 8.758 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.470 -5.870 9.955 1.00 0.00 H new ATOM 419 N SER A 30 -8.895 -1.630 10.018 1.00 0.00 N ATOM 420 CA SER A 30 -8.116 -0.424 10.273 1.00 0.00 C ATOM 421 C SER A 30 -7.448 0.072 8.994 1.00 0.00 C ATOM 422 O SER A 30 -7.381 1.274 8.742 1.00 0.00 O ATOM 423 CB SER A 30 -7.057 -0.693 11.344 1.00 0.00 C ATOM 424 OG SER A 30 -7.658 -0.960 12.599 1.00 0.00 O ATOM 0 H SER A 30 -8.542 -2.467 10.483 1.00 0.00 H new ATOM 0 HA SER A 30 -8.796 0.349 10.630 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.440 -1.540 11.045 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.395 0.169 11.430 1.00 0.00 H new ATOM 0 HG SER A 30 -8.006 -1.876 12.607 1.00 0.00 H new ATOM 430 N MET A 31 -6.955 -0.865 8.190 1.00 0.00 N ATOM 431 CA MET A 31 -6.293 -0.524 6.937 1.00 0.00 C ATOM 432 C MET A 31 -7.289 0.051 5.934 1.00 0.00 C ATOM 433 O MET A 31 -7.072 1.128 5.380 1.00 0.00 O ATOM 434 CB MET A 31 -5.610 -1.758 6.344 1.00 0.00 C ATOM 435 CG MET A 31 -4.654 -2.445 7.306 1.00 0.00 C ATOM 436 SD MET A 31 -4.157 -4.083 6.740 1.00 0.00 S ATOM 437 CE MET A 31 -2.430 -3.800 6.360 1.00 0.00 C ATOM 0 H MET A 31 -7.002 -1.865 8.384 1.00 0.00 H new ATOM 0 HA MET A 31 -5.539 0.234 7.149 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.373 -2.471 6.032 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.063 -1.465 5.448 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.767 -1.825 7.435 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.128 -2.531 8.284 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.060 -4.607 5.727 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.324 -2.850 5.836 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.854 -3.771 7.285 1.00 0.00 H new ATOM 447 N GLU A 32 -8.379 -0.675 5.707 1.00 0.00 N ATOM 448 CA GLU A 32 -9.407 -0.236 4.771 1.00 0.00 C ATOM 449 C GLU A 32 -9.701 1.252 4.944 1.00 0.00 C ATOM 450 O GLU A 32 -9.534 2.040 4.013 1.00 0.00 O ATOM 451 CB GLU A 32 -10.689 -1.047 4.969 1.00 0.00 C ATOM 452 CG GLU A 32 -10.555 -2.505 4.566 1.00 0.00 C ATOM 453 CD GLU A 32 -11.894 -3.211 4.474 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.724 -3.027 5.389 1.00 0.00 O ATOM 455 OE2 GLU A 32 -12.111 -3.946 3.488 1.00 0.00 O ATOM 0 H GLU A 32 -8.573 -1.569 6.158 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.035 -0.400 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.984 -0.994 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.491 -0.591 4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.049 -2.567 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.925 -3.022 5.290 1.00 0.00 H new ATOM 462 N GLU A 33 -10.139 1.627 6.141 1.00 0.00 N ATOM 463 CA GLU A 33 -10.458 3.019 6.436 1.00 0.00 C ATOM 464 C GLU A 33 -9.239 3.913 6.223 1.00 0.00 C ATOM 465 O GLU A 33 -9.340 4.987 5.631 1.00 0.00 O ATOM 466 CB GLU A 33 -10.960 3.157 7.874 1.00 0.00 C ATOM 467 CG GLU A 33 -12.389 2.679 8.068 1.00 0.00 C ATOM 468 CD GLU A 33 -13.413 3.713 7.642 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.373 4.842 8.175 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.255 3.394 6.777 1.00 0.00 O ATOM 0 H GLU A 33 -10.281 0.987 6.922 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.245 3.337 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.304 2.591 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.891 4.202 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.543 1.764 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.545 2.429 9.117 1.00 0.00 H new ATOM 477 N MET A 34 -8.089 3.461 6.710 1.00 0.00 N ATOM 478 CA MET A 34 -6.850 4.219 6.573 1.00 0.00 C ATOM 479 C MET A 34 -6.607 4.603 5.117 1.00 0.00 C ATOM 480 O MET A 34 -6.357 5.767 4.804 1.00 0.00 O ATOM 481 CB MET A 34 -5.668 3.405 7.103 1.00 0.00 C ATOM 482 CG MET A 34 -4.333 4.121 6.978 1.00 0.00 C ATOM 483 SD MET A 34 -3.024 3.320 7.923 1.00 0.00 S ATOM 484 CE MET A 34 -3.299 4.023 9.547 1.00 0.00 C ATOM 0 H MET A 34 -7.988 2.574 7.203 1.00 0.00 H new ATOM 0 HA MET A 34 -6.944 5.132 7.160 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.845 3.163 8.151 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.616 2.460 6.562 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.044 4.162 5.928 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.444 5.150 7.319 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.436 4.623 9.835 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.188 4.653 9.525 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.441 3.221 10.271 1.00 0.00 H new ATOM 494 N THR A 35 -6.680 3.616 4.229 1.00 0.00 N ATOM 495 CA THR A 35 -6.466 3.851 2.806 1.00 0.00 C ATOM 496 C THR A 35 -7.291 5.034 2.314 1.00 0.00 C ATOM 497 O THR A 35 -6.781 5.908 1.613 1.00 0.00 O ATOM 498 CB THR A 35 -6.826 2.607 1.972 1.00 0.00 C ATOM 499 OG1 THR A 35 -5.984 1.509 2.341 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.674 2.891 0.485 1.00 0.00 C ATOM 0 H THR A 35 -6.886 2.646 4.470 1.00 0.00 H new ATOM 0 HA THR A 35 -5.406 4.072 2.678 1.00 0.00 H new ATOM 0 HB THR A 35 -7.866 2.350 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.187 1.235 3.260 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.933 1.998 -0.084 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.337 3.708 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.642 3.170 0.272 1.00 0.00 H new ATOM 508 N GLU A 36 -8.567 5.057 2.686 1.00 0.00 N ATOM 509 CA GLU A 36 -9.461 6.135 2.281 1.00 0.00 C ATOM 510 C GLU A 36 -8.975 7.477 2.820 1.00 0.00 C ATOM 511 O GLU A 36 -9.024 8.491 2.125 1.00 0.00 O ATOM 512 CB GLU A 36 -10.883 5.860 2.774 1.00 0.00 C ATOM 513 CG GLU A 36 -11.720 5.049 1.798 1.00 0.00 C ATOM 514 CD GLU A 36 -12.290 5.894 0.676 1.00 0.00 C ATOM 515 OE1 GLU A 36 -12.640 7.064 0.934 1.00 0.00 O ATOM 516 OE2 GLU A 36 -12.386 5.385 -0.460 1.00 0.00 O ATOM 0 H GLU A 36 -9.004 4.342 3.267 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.464 6.180 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.833 5.329 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.382 6.810 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.107 4.254 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.537 4.569 2.337 1.00 0.00 H new ATOM 523 N MET A 37 -8.506 7.473 4.064 1.00 0.00 N ATOM 524 CA MET A 37 -8.010 8.690 4.696 1.00 0.00 C ATOM 525 C MET A 37 -6.910 9.330 3.856 1.00 0.00 C ATOM 526 O MET A 37 -6.910 10.541 3.636 1.00 0.00 O ATOM 527 CB MET A 37 -7.483 8.382 6.099 1.00 0.00 C ATOM 528 CG MET A 37 -8.496 7.679 6.988 1.00 0.00 C ATOM 529 SD MET A 37 -9.518 8.833 7.923 1.00 0.00 S ATOM 530 CE MET A 37 -9.711 7.942 9.465 1.00 0.00 C ATOM 0 H MET A 37 -8.459 6.642 4.653 1.00 0.00 H new ATOM 0 HA MET A 37 -8.839 9.394 4.773 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.592 7.760 6.015 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.178 9.313 6.576 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.137 7.048 6.373 1.00 0.00 H new ATOM 0 HG3 MET A 37 -7.971 7.021 7.681 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.322 8.529 10.151 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.197 6.985 9.274 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.731 7.769 9.910 1.00 0.00 H new ATOM 540 N GLN A 38 -5.974 8.509 3.389 1.00 0.00 N ATOM 541 CA GLN A 38 -4.868 8.997 2.574 1.00 0.00 C ATOM 542 C GLN A 38 -5.357 9.425 1.194 1.00 0.00 C ATOM 543 O GLN A 38 -4.983 10.485 0.694 1.00 0.00 O ATOM 544 CB GLN A 38 -3.794 7.916 2.435 1.00 0.00 C ATOM 545 CG GLN A 38 -3.219 7.456 3.765 1.00 0.00 C ATOM 546 CD GLN A 38 -2.917 8.609 4.701 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.487 9.679 4.268 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.143 8.399 5.992 1.00 0.00 N ATOM 0 H GLN A 38 -5.960 7.504 3.561 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.437 9.865 3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.220 7.057 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.985 8.297 1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.924 6.778 4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.305 6.890 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.500 7.497 6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.960 9.140 6.669 1.00 0.00 H new ATOM 557 N GLY A 39 -6.194 8.593 0.583 1.00 0.00 N ATOM 558 CA GLY A 39 -6.720 8.903 -0.734 1.00 0.00 C ATOM 559 C GLY A 39 -6.774 7.687 -1.637 1.00 0.00 C ATOM 560 O GLY A 39 -6.320 7.733 -2.780 1.00 0.00 O ATOM 0 H GLY A 39 -6.518 7.709 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.721 9.321 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.100 9.670 -1.199 1.00 0.00 H new ATOM 564 N GLY A 40 -7.331 6.594 -1.124 1.00 0.00 N ATOM 565 CA GLY A 40 -7.431 5.375 -1.905 1.00 0.00 C ATOM 566 C GLY A 40 -8.644 4.546 -1.533 1.00 0.00 C ATOM 567 O GLY A 40 -9.404 4.912 -0.636 1.00 0.00 O ATOM 0 H GLY A 40 -7.715 6.531 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.479 5.629 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.530 4.780 -1.760 1.00 0.00 H new ATOM 571 N SER A 41 -8.829 3.427 -2.226 1.00 0.00 N ATOM 572 CA SER A 41 -9.962 2.546 -1.967 1.00 0.00 C ATOM 573 C SER A 41 -9.488 1.175 -1.498 1.00 0.00 C ATOM 574 O SER A 41 -8.293 0.880 -1.511 1.00 0.00 O ATOM 575 CB SER A 41 -10.818 2.399 -3.227 1.00 0.00 C ATOM 576 OG SER A 41 -11.614 3.552 -3.441 1.00 0.00 O ATOM 0 H SER A 41 -8.209 3.109 -2.971 1.00 0.00 H new ATOM 0 HA SER A 41 -10.565 2.992 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.174 2.233 -4.090 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.459 1.523 -3.134 1.00 0.00 H new ATOM 0 HG SER A 41 -12.150 3.433 -4.253 1.00 0.00 H new ATOM 582 N TYR A 42 -10.434 0.339 -1.082 1.00 0.00 N ATOM 583 CA TYR A 42 -10.115 -1.001 -0.606 1.00 0.00 C ATOM 584 C TYR A 42 -11.178 -2.003 -1.044 1.00 0.00 C ATOM 585 O TYR A 42 -12.373 -1.705 -1.030 1.00 0.00 O ATOM 586 CB TYR A 42 -9.991 -1.007 0.919 1.00 0.00 C ATOM 587 CG TYR A 42 -11.176 -0.388 1.625 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.313 -1.137 1.901 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.158 0.945 2.017 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.399 -0.576 2.546 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.238 1.514 2.663 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.357 0.750 2.925 1.00 0.00 C ATOM 593 OH TYR A 42 -14.435 1.312 3.568 1.00 0.00 O ATOM 0 H TYR A 42 -11.428 0.567 -1.065 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.161 -1.296 -1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.871 -2.035 1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.087 -0.469 1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.349 -2.175 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.284 1.546 1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.276 -1.172 2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.207 2.551 2.962 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.243 2.252 3.767 1.00 0.00 H new ATOM 603 N LEU A 43 -10.735 -3.193 -1.434 1.00 0.00 N ATOM 604 CA LEU A 43 -11.647 -4.242 -1.877 1.00 0.00 C ATOM 605 C LEU A 43 -11.268 -5.587 -1.266 1.00 0.00 C ATOM 606 O LEU A 43 -10.137 -5.802 -0.829 1.00 0.00 O ATOM 607 CB LEU A 43 -11.638 -4.342 -3.403 1.00 0.00 C ATOM 608 CG LEU A 43 -12.577 -3.389 -4.144 1.00 0.00 C ATOM 609 CD1 LEU A 43 -12.133 -3.216 -5.588 1.00 0.00 C ATOM 610 CD2 LEU A 43 -14.010 -3.898 -4.082 1.00 0.00 C ATOM 0 H LEU A 43 -9.750 -3.456 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.651 -3.981 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.621 -4.163 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.896 -5.364 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.536 -2.416 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.813 -2.535 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.123 -2.806 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.144 -4.183 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.665 -3.208 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.067 -4.883 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.326 -3.969 -3.041 1.00 0.00 H new ATOM 622 N PRO A 44 -12.234 -6.517 -1.235 1.00 0.00 N ATOM 623 CA PRO A 44 -12.025 -7.858 -0.682 1.00 0.00 C ATOM 624 C PRO A 44 -11.102 -8.706 -1.551 1.00 0.00 C ATOM 625 O PRO A 44 -11.160 -8.644 -2.780 1.00 0.00 O ATOM 626 CB PRO A 44 -13.434 -8.456 -0.658 1.00 0.00 C ATOM 627 CG PRO A 44 -14.175 -7.722 -1.721 1.00 0.00 C ATOM 628 CD PRO A 44 -13.606 -6.330 -1.737 1.00 0.00 C ATOM 0 HA PRO A 44 -11.544 -7.825 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.413 -9.527 -0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.904 -8.323 0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.049 -8.206 -2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.244 -7.704 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.612 -5.905 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.178 -5.655 -1.101 1.00 0.00 H new ATOM 636 N VAL A 45 -10.251 -9.498 -0.906 1.00 0.00 N ATOM 637 CA VAL A 45 -9.317 -10.359 -1.621 1.00 0.00 C ATOM 638 C VAL A 45 -10.039 -11.212 -2.658 1.00 0.00 C ATOM 639 O VAL A 45 -11.037 -11.864 -2.354 1.00 0.00 O ATOM 640 CB VAL A 45 -8.553 -11.283 -0.654 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.457 -12.038 -1.390 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.975 -10.482 0.503 1.00 0.00 C ATOM 0 H VAL A 45 -10.189 -9.561 0.110 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.606 -9.705 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.253 -12.013 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.928 -12.685 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.900 -12.643 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.756 -11.327 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.439 -11.151 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.288 -9.729 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.783 -9.992 1.046 1.00 0.00 H new ATOM 652 N GLY A 46 -9.526 -11.204 -3.885 1.00 0.00 N ATOM 653 CA GLY A 46 -10.134 -11.981 -4.948 1.00 0.00 C ATOM 654 C GLY A 46 -10.592 -11.119 -6.108 1.00 0.00 C ATOM 655 O GLY A 46 -10.489 -11.520 -7.267 1.00 0.00 O ATOM 0 H GLY A 46 -8.700 -10.673 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.418 -12.720 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.986 -12.531 -4.550 1.00 0.00 H new ATOM 659 N ASP A 47 -11.100 -9.932 -5.796 1.00 0.00 N ATOM 660 CA ASP A 47 -11.576 -9.010 -6.821 1.00 0.00 C ATOM 661 C ASP A 47 -10.413 -8.470 -7.648 1.00 0.00 C ATOM 662 O ASP A 47 -9.639 -7.637 -7.178 1.00 0.00 O ATOM 663 CB ASP A 47 -12.343 -7.852 -6.180 1.00 0.00 C ATOM 664 CG ASP A 47 -13.423 -7.300 -7.089 1.00 0.00 C ATOM 665 OD1 ASP A 47 -13.161 -7.156 -8.302 1.00 0.00 O ATOM 666 OD2 ASP A 47 -14.529 -7.011 -6.588 1.00 0.00 O ATOM 0 H ASP A 47 -11.193 -9.585 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.247 -9.557 -7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.795 -8.191 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.645 -7.055 -5.924 1.00 0.00 H new ATOM 671 N GLU A 48 -10.297 -8.952 -8.882 1.00 0.00 N ATOM 672 CA GLU A 48 -9.228 -8.518 -9.773 1.00 0.00 C ATOM 673 C GLU A 48 -9.071 -7.001 -9.737 1.00 0.00 C ATOM 674 O GLU A 48 -7.955 -6.481 -9.760 1.00 0.00 O ATOM 675 CB GLU A 48 -9.509 -8.979 -11.205 1.00 0.00 C ATOM 676 CG GLU A 48 -10.779 -8.390 -11.796 1.00 0.00 C ATOM 677 CD GLU A 48 -12.034 -8.941 -11.147 1.00 0.00 C ATOM 678 OE1 GLU A 48 -12.113 -10.174 -10.961 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.936 -8.141 -10.824 1.00 0.00 O ATOM 0 H GLU A 48 -10.930 -9.642 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.298 -8.970 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.664 -8.707 -11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.582 -10.066 -11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.760 -7.306 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.807 -8.596 -12.866 1.00 0.00 H new ATOM 686 N ARG A 49 -10.196 -6.297 -9.681 1.00 0.00 N ATOM 687 CA ARG A 49 -10.185 -4.839 -9.643 1.00 0.00 C ATOM 688 C ARG A 49 -9.016 -4.326 -8.807 1.00 0.00 C ATOM 689 O ARG A 49 -8.483 -3.246 -9.065 1.00 0.00 O ATOM 690 CB ARG A 49 -11.503 -4.312 -9.074 1.00 0.00 C ATOM 691 CG ARG A 49 -12.688 -4.498 -10.008 1.00 0.00 C ATOM 692 CD ARG A 49 -13.729 -3.407 -9.812 1.00 0.00 C ATOM 693 NE ARG A 49 -13.200 -2.083 -10.129 1.00 0.00 N ATOM 694 CZ ARG A 49 -13.777 -0.950 -9.744 1.00 0.00 C ATOM 695 NH1 ARG A 49 -14.895 -0.980 -9.032 1.00 0.00 N ATOM 696 NH2 ARG A 49 -13.235 0.216 -10.071 1.00 0.00 N ATOM 0 H ARG A 49 -11.127 -6.712 -9.661 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.067 -4.475 -10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.711 -4.819 -8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.393 -3.252 -8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.342 -4.491 -11.042 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.143 -5.473 -9.831 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.593 -3.613 -10.443 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.078 -3.420 -8.780 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.341 -2.025 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.314 -1.875 -8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.336 -0.108 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.375 0.243 -10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.679 1.086 -9.775 1.00 0.00 H new ATOM 710 N CYS A 50 -8.624 -5.107 -7.806 1.00 0.00 N ATOM 711 CA CYS A 50 -7.520 -4.731 -6.931 1.00 0.00 C ATOM 712 C CYS A 50 -6.228 -4.568 -7.726 1.00 0.00 C ATOM 713 O CYS A 50 -5.803 -5.481 -8.435 1.00 0.00 O ATOM 714 CB CYS A 50 -7.330 -5.780 -5.835 1.00 0.00 C ATOM 715 SG CYS A 50 -6.934 -7.432 -6.455 1.00 0.00 S ATOM 0 H CYS A 50 -9.054 -6.004 -7.581 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.764 -3.774 -6.469 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.532 -5.453 -5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.241 -5.836 -5.239 1.00 0.00 H new ATOM 0 HG CYS A 50 -7.992 -7.956 -6.999 1.00 0.00 H new ATOM 721 N THR A 51 -5.607 -3.399 -7.603 1.00 0.00 N ATOM 722 CA THR A 51 -4.365 -3.116 -8.312 1.00 0.00 C ATOM 723 C THR A 51 -3.160 -3.647 -7.543 1.00 0.00 C ATOM 724 O THR A 51 -2.237 -4.174 -8.162 1.00 0.00 O ATOM 725 CB THR A 51 -4.185 -1.604 -8.546 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.202 -0.909 -7.294 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.282 -1.062 -9.449 1.00 0.00 C ATOM 0 H THR A 51 -5.944 -2.633 -7.019 1.00 0.00 H new ATOM 0 HA THR A 51 -4.428 -3.621 -9.276 1.00 0.00 H new ATOM 0 HB THR A 51 -3.224 -1.446 -9.035 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.285 -0.687 -7.031 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.134 0.007 -9.600 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.246 -1.573 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.253 -1.232 -8.984 1.00 0.00 H new ATOM 735 N HIS A 52 -3.194 -3.498 -6.227 1.00 0.00 N ATOM 736 CA HIS A 52 -2.100 -3.967 -5.393 1.00 0.00 C ATOM 737 C HIS A 52 -2.633 -4.963 -4.361 1.00 0.00 C ATOM 738 O HIS A 52 -3.823 -5.005 -4.047 1.00 0.00 O ATOM 739 CB HIS A 52 -1.360 -2.790 -4.755 1.00 0.00 C ATOM 740 CG HIS A 52 -0.739 -1.842 -5.753 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.489 -1.105 -6.653 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.566 -1.517 -5.981 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.662 -0.374 -7.386 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.611 -0.631 -6.968 1.00 0.00 N ATOM 0 H HIS A 52 -3.961 -3.059 -5.718 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.367 -4.491 -6.007 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.056 -2.235 -4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.578 -3.177 -4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.418 -1.913 -5.449 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.946 0.306 -8.176 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.458 -0.211 -7.351 1.00 0.00 H new ATOM 752 N LEU A 53 -1.718 -5.770 -3.835 1.00 0.00 N ATOM 753 CA LEU A 53 -2.067 -6.775 -2.837 1.00 0.00 C ATOM 754 C LEU A 53 -1.045 -6.795 -1.705 1.00 0.00 C ATOM 755 O LEU A 53 0.143 -7.030 -1.931 1.00 0.00 O ATOM 756 CB LEU A 53 -2.154 -8.158 -3.485 1.00 0.00 C ATOM 757 CG LEU A 53 -2.246 -9.344 -2.525 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.392 -9.150 -1.544 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.418 -10.644 -3.298 1.00 0.00 C ATOM 0 H LEU A 53 -0.729 -5.748 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.040 -6.515 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.026 -8.177 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.278 -8.296 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.316 -9.401 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.442 -10.004 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.227 -8.240 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.330 -9.066 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.482 -11.478 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.332 -10.597 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.564 -10.790 -3.959 1.00 0.00 H new ATOM 771 N ILE A 54 -1.514 -6.549 -0.486 1.00 0.00 N ATOM 772 CA ILE A 54 -0.642 -6.543 0.681 1.00 0.00 C ATOM 773 C ILE A 54 -0.934 -7.730 1.593 1.00 0.00 C ATOM 774 O ILE A 54 -1.865 -7.694 2.397 1.00 0.00 O ATOM 775 CB ILE A 54 -0.792 -5.240 1.489 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.339 -4.041 0.654 1.00 0.00 C ATOM 777 CG2 ILE A 54 0.006 -5.324 2.782 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.449 -3.424 -0.168 1.00 0.00 C ATOM 0 H ILE A 54 -2.494 -6.351 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 54 0.381 -6.616 0.311 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.844 -5.106 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.076 -3.282 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.464 -4.355 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.110 -4.396 3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.359 -6.158 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.060 -5.479 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.056 -2.580 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.849 -4.168 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.243 -3.079 0.494 1.00 0.00 H new ATOM 790 N VAL A 55 -0.131 -8.781 1.462 1.00 0.00 N ATOM 791 CA VAL A 55 -0.301 -9.979 2.276 1.00 0.00 C ATOM 792 C VAL A 55 0.708 -10.015 3.418 1.00 0.00 C ATOM 793 O VAL A 55 1.875 -9.668 3.239 1.00 0.00 O ATOM 794 CB VAL A 55 -0.150 -11.258 1.431 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.188 -11.265 0.707 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.299 -12.494 2.305 1.00 0.00 C ATOM 0 H VAL A 55 0.644 -8.827 0.800 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.310 -9.942 2.687 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.941 -11.273 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.277 -12.176 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.251 -10.398 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.997 -11.226 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.190 -13.389 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.469 -12.488 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.284 -12.493 2.772 1.00 0.00 H new ATOM 806 N GLU A 56 0.250 -10.439 4.592 1.00 0.00 N ATOM 807 CA GLU A 56 1.114 -10.520 5.764 1.00 0.00 C ATOM 808 C GLU A 56 2.007 -11.756 5.697 1.00 0.00 C ATOM 809 O GLU A 56 1.635 -12.829 6.172 1.00 0.00 O ATOM 810 CB GLU A 56 0.275 -10.553 7.043 1.00 0.00 C ATOM 811 CG GLU A 56 1.103 -10.650 8.313 1.00 0.00 C ATOM 812 CD GLU A 56 0.318 -10.266 9.552 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.054 -9.080 9.674 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.077 -11.151 10.400 1.00 0.00 O ATOM 0 H GLU A 56 -0.713 -10.731 4.757 1.00 0.00 H new ATOM 0 HA GLU A 56 1.749 -9.634 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.339 -9.654 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.407 -11.402 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.474 -11.669 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.975 -10.002 8.224 1.00 0.00 H new ATOM 821 N GLU A 57 3.186 -11.596 5.104 1.00 0.00 N ATOM 822 CA GLU A 57 4.131 -12.699 4.974 1.00 0.00 C ATOM 823 C GLU A 57 4.526 -13.241 6.344 1.00 0.00 C ATOM 824 O GLU A 57 4.867 -14.415 6.484 1.00 0.00 O ATOM 825 CB GLU A 57 5.378 -12.244 4.214 1.00 0.00 C ATOM 826 CG GLU A 57 6.245 -11.269 4.994 1.00 0.00 C ATOM 827 CD GLU A 57 7.198 -11.968 5.945 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.488 -13.162 5.724 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.654 -11.320 6.910 1.00 0.00 O ATOM 0 H GLU A 57 3.509 -10.714 4.706 1.00 0.00 H new ATOM 0 HA GLU A 57 3.644 -13.497 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.974 -13.119 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.072 -11.777 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.817 -10.658 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.605 -10.592 5.559 1.00 0.00 H new ATOM 836 N ASN A 58 4.478 -12.377 7.353 1.00 0.00 N ATOM 837 CA ASN A 58 4.832 -12.768 8.712 1.00 0.00 C ATOM 838 C ASN A 58 4.154 -14.080 9.095 1.00 0.00 C ATOM 839 O ASN A 58 4.742 -14.921 9.776 1.00 0.00 O ATOM 840 CB ASN A 58 4.437 -11.669 9.701 1.00 0.00 C ATOM 841 CG ASN A 58 5.542 -10.651 9.906 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.293 -10.720 10.879 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.647 -9.698 8.987 1.00 0.00 N ATOM 0 H ASN A 58 4.197 -11.401 7.255 1.00 0.00 H new ATOM 0 HA ASN A 58 5.912 -12.912 8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.543 -11.162 9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.181 -12.121 10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.372 -8.985 9.072 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.003 -9.679 8.196 1.00 0.00 H new ATOM 850 N THR A 59 2.912 -14.248 8.652 1.00 0.00 N ATOM 851 CA THR A 59 2.153 -15.457 8.949 1.00 0.00 C ATOM 852 C THR A 59 1.744 -16.177 7.669 1.00 0.00 C ATOM 853 O THR A 59 1.871 -17.397 7.564 1.00 0.00 O ATOM 854 CB THR A 59 0.889 -15.139 9.770 1.00 0.00 C ATOM 855 OG1 THR A 59 0.236 -16.354 10.154 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.072 -14.271 8.972 1.00 0.00 C ATOM 0 H THR A 59 2.411 -13.563 8.087 1.00 0.00 H new ATOM 0 HA THR A 59 2.806 -16.104 9.535 1.00 0.00 H new ATOM 0 HB THR A 59 1.191 -14.591 10.663 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.566 -16.143 10.677 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.957 -14.060 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.418 -13.334 8.707 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.367 -14.796 8.063 1.00 0.00 H new ATOM 864 N VAL A 60 1.255 -15.414 6.696 1.00 0.00 N ATOM 865 CA VAL A 60 0.830 -15.980 5.421 1.00 0.00 C ATOM 866 C VAL A 60 2.002 -16.618 4.685 1.00 0.00 C ATOM 867 O VAL A 60 3.121 -16.105 4.713 1.00 0.00 O ATOM 868 CB VAL A 60 0.191 -14.909 4.517 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.281 -15.526 3.209 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.958 -14.220 5.237 1.00 0.00 C ATOM 0 H VAL A 60 1.143 -14.403 6.767 1.00 0.00 H new ATOM 0 HA VAL A 60 0.087 -16.745 5.646 1.00 0.00 H new ATOM 0 HB VAL A 60 0.946 -14.158 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.730 -14.754 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.568 -15.967 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.020 -16.299 3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.397 -13.467 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.716 -14.957 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.585 -13.742 6.143 1.00 0.00 H new ATOM 880 N LYS A 61 1.739 -17.742 4.026 1.00 0.00 N ATOM 881 CA LYS A 61 2.771 -18.451 3.279 1.00 0.00 C ATOM 882 C LYS A 61 2.476 -18.424 1.783 1.00 0.00 C ATOM 883 O LYS A 61 3.362 -18.160 0.971 1.00 0.00 O ATOM 884 CB LYS A 61 2.875 -19.899 3.763 1.00 0.00 C ATOM 885 CG LYS A 61 3.792 -20.076 4.961 1.00 0.00 C ATOM 886 CD LYS A 61 5.223 -20.351 4.531 1.00 0.00 C ATOM 887 CE LYS A 61 5.983 -21.132 5.593 1.00 0.00 C ATOM 888 NZ LYS A 61 7.148 -21.860 5.018 1.00 0.00 N ATOM 0 H LYS A 61 0.819 -18.181 3.994 1.00 0.00 H new ATOM 0 HA LYS A 61 3.722 -17.947 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.879 -20.259 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.236 -20.522 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.763 -19.178 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.432 -20.899 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.222 -20.912 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.733 -19.408 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.329 -20.449 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.310 -21.844 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.949 -21.811 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.891 -22.855 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.418 -21.423 4.114 1.00 0.00 H new ATOM 902 N ASP A 62 1.226 -18.697 1.426 1.00 0.00 N ATOM 903 CA ASP A 62 0.813 -18.701 0.027 1.00 0.00 C ATOM 904 C ASP A 62 -0.552 -18.042 -0.139 1.00 0.00 C ATOM 905 O ASP A 62 -1.302 -17.891 0.827 1.00 0.00 O ATOM 906 CB ASP A 62 0.771 -20.132 -0.510 1.00 0.00 C ATOM 907 CG ASP A 62 2.098 -20.849 -0.352 1.00 0.00 C ATOM 908 OD1 ASP A 62 3.149 -20.189 -0.490 1.00 0.00 O ATOM 909 OD2 ASP A 62 2.085 -22.070 -0.091 1.00 0.00 O ATOM 0 H ASP A 62 0.481 -18.919 2.086 1.00 0.00 H new ATOM 0 HA ASP A 62 1.544 -18.128 -0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.005 -20.691 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.495 -20.113 -1.564 1.00 0.00 H new ATOM 914 N LEU A 63 -0.869 -17.650 -1.368 1.00 0.00 N ATOM 915 CA LEU A 63 -2.144 -17.005 -1.661 1.00 0.00 C ATOM 916 C LEU A 63 -3.230 -18.043 -1.928 1.00 0.00 C ATOM 917 O LEU A 63 -2.988 -19.091 -2.527 1.00 0.00 O ATOM 918 CB LEU A 63 -2.003 -16.076 -2.868 1.00 0.00 C ATOM 919 CG LEU A 63 -1.015 -14.920 -2.713 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.871 -14.161 -4.023 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.459 -13.984 -1.598 1.00 0.00 C ATOM 0 H LEU A 63 -0.260 -17.768 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.434 -16.417 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.700 -16.674 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.984 -15.661 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.042 -15.333 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.164 -13.342 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.506 -14.836 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.840 -13.760 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.744 -13.167 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.443 -13.579 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.509 -14.535 -0.659 1.00 0.00 H new ATOM 933 N PRO A 64 -4.457 -17.746 -1.474 1.00 0.00 N ATOM 934 CA PRO A 64 -5.605 -18.639 -1.655 1.00 0.00 C ATOM 935 C PRO A 64 -6.055 -18.718 -3.110 1.00 0.00 C ATOM 936 O PRO A 64 -6.856 -19.579 -3.477 1.00 0.00 O ATOM 937 CB PRO A 64 -6.694 -17.996 -0.793 1.00 0.00 C ATOM 938 CG PRO A 64 -6.321 -16.556 -0.724 1.00 0.00 C ATOM 939 CD PRO A 64 -4.818 -16.515 -0.751 1.00 0.00 C ATOM 0 HA PRO A 64 -5.370 -19.666 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.680 -18.129 -1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.729 -18.444 0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.741 -16.003 -1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.708 -16.096 0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.449 -15.626 -1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.398 -16.502 0.255 1.00 0.00 H new ATOM 947 N PHE A 65 -5.535 -17.816 -3.935 1.00 0.00 N ATOM 948 CA PHE A 65 -5.884 -17.783 -5.350 1.00 0.00 C ATOM 949 C PHE A 65 -4.657 -17.482 -6.206 1.00 0.00 C ATOM 950 O PHE A 65 -3.571 -17.233 -5.685 1.00 0.00 O ATOM 951 CB PHE A 65 -6.968 -16.734 -5.606 1.00 0.00 C ATOM 952 CG PHE A 65 -6.459 -15.322 -5.563 1.00 0.00 C ATOM 953 CD1 PHE A 65 -6.164 -14.715 -4.353 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.275 -14.602 -6.732 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.694 -13.416 -4.309 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.805 -13.302 -6.694 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.516 -12.708 -5.482 1.00 0.00 C ATOM 0 H PHE A 65 -4.870 -17.098 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.267 -18.765 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.419 -16.920 -6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.757 -16.850 -4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.303 -15.264 -3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.501 -15.061 -7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.466 -12.955 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.664 -12.752 -7.612 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.151 -11.692 -5.451 1.00 0.00 H new ATOM 967 N GLU A 66 -4.841 -17.507 -7.523 1.00 0.00 N ATOM 968 CA GLU A 66 -3.749 -17.238 -8.451 1.00 0.00 C ATOM 969 C GLU A 66 -3.908 -15.864 -9.095 1.00 0.00 C ATOM 970 O GLU A 66 -4.572 -15.704 -10.119 1.00 0.00 O ATOM 971 CB GLU A 66 -3.692 -18.318 -9.533 1.00 0.00 C ATOM 972 CG GLU A 66 -3.325 -19.694 -9.003 1.00 0.00 C ATOM 973 CD GLU A 66 -3.749 -20.811 -9.936 1.00 0.00 C ATOM 974 OE1 GLU A 66 -4.969 -21.049 -10.061 1.00 0.00 O ATOM 975 OE2 GLU A 66 -2.862 -21.448 -10.541 1.00 0.00 O ATOM 0 H GLU A 66 -5.735 -17.711 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.816 -17.250 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.661 -18.376 -10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.965 -18.024 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.247 -19.744 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.793 -19.841 -8.030 1.00 0.00 H new ATOM 982 N PRO A 67 -3.284 -14.848 -8.481 1.00 0.00 N ATOM 983 CA PRO A 67 -3.342 -13.469 -8.977 1.00 0.00 C ATOM 984 C PRO A 67 -2.567 -13.288 -10.277 1.00 0.00 C ATOM 985 O PRO A 67 -1.487 -13.853 -10.452 1.00 0.00 O ATOM 986 CB PRO A 67 -2.693 -12.660 -7.851 1.00 0.00 C ATOM 987 CG PRO A 67 -1.796 -13.627 -7.158 1.00 0.00 C ATOM 988 CD PRO A 67 -2.475 -14.966 -7.257 1.00 0.00 C ATOM 0 HA PRO A 67 -4.362 -13.162 -9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.132 -11.812 -8.245 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.443 -12.257 -7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.813 -13.652 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.645 -13.342 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.752 -15.779 -7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.095 -15.168 -6.383 1.00 0.00 H new ATOM 996 N SER A 68 -3.125 -12.496 -11.188 1.00 0.00 N ATOM 997 CA SER A 68 -2.487 -12.243 -12.474 1.00 0.00 C ATOM 998 C SER A 68 -1.211 -11.426 -12.297 1.00 0.00 C ATOM 999 O SER A 68 -1.145 -10.530 -11.454 1.00 0.00 O ATOM 1000 CB SER A 68 -3.450 -11.509 -13.409 1.00 0.00 C ATOM 1001 OG SER A 68 -4.425 -12.394 -13.933 1.00 0.00 O ATOM 0 H SER A 68 -4.017 -12.019 -11.059 1.00 0.00 H new ATOM 0 HA SER A 68 -2.224 -13.204 -12.916 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.941 -10.700 -12.868 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.892 -11.053 -14.226 1.00 0.00 H new ATOM 0 HG SER A 68 -5.029 -11.901 -14.526 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.198 -11.740 -13.098 1.00 0.00 N ATOM 1008 CA LYS A 69 1.077 -11.036 -13.032 1.00 0.00 C ATOM 1009 C LYS A 69 0.863 -9.526 -13.002 1.00 0.00 C ATOM 1010 O LYS A 69 1.714 -8.778 -12.520 1.00 0.00 O ATOM 1011 CB LYS A 69 1.953 -11.414 -14.229 1.00 0.00 C ATOM 1012 CG LYS A 69 1.526 -10.753 -15.528 1.00 0.00 C ATOM 1013 CD LYS A 69 0.542 -11.619 -16.297 1.00 0.00 C ATOM 1014 CE LYS A 69 1.258 -12.657 -17.147 1.00 0.00 C ATOM 1015 NZ LYS A 69 1.699 -12.096 -18.454 1.00 0.00 N ATOM 0 H LYS A 69 -0.236 -12.478 -13.801 1.00 0.00 H new ATOM 0 HA LYS A 69 1.581 -11.332 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.986 -11.140 -14.014 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.931 -12.496 -14.357 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.071 -9.786 -15.313 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.404 -10.562 -16.146 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.128 -12.119 -15.597 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.077 -10.989 -16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.124 -13.036 -16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.595 -13.504 -17.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.183 -12.835 -19.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.871 -11.757 -18.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.352 -11.304 -18.289 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.278 -9.084 -13.518 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.606 -7.663 -13.547 1.00 0.00 C ATOM 1031 C LYS A 70 -0.698 -7.097 -12.134 1.00 0.00 C ATOM 1032 O LYS A 70 -0.282 -5.966 -11.879 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.927 -7.439 -14.285 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.114 -8.125 -13.631 1.00 0.00 C ATOM 1035 CD LYS A 70 -3.777 -7.229 -12.599 1.00 0.00 C ATOM 1036 CE LYS A 70 -4.837 -6.340 -13.231 1.00 0.00 C ATOM 1037 NZ LYS A 70 -6.081 -7.097 -13.545 1.00 0.00 N ATOM 0 H LYS A 70 -0.992 -9.690 -13.922 1.00 0.00 H new ATOM 0 HA LYS A 70 0.192 -7.142 -14.076 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.124 -6.368 -14.343 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.828 -7.801 -15.308 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.841 -8.402 -14.394 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.785 -9.048 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.232 -7.843 -11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.022 -6.609 -12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.073 -5.519 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.441 -5.897 -14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.838 -6.431 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.904 -7.739 -14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.370 -7.650 -12.713 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.244 -7.889 -11.218 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.389 -7.467 -9.829 1.00 0.00 C ATOM 1053 C LEU A 71 -0.048 -7.509 -9.104 1.00 0.00 C ATOM 1054 O LEU A 71 0.674 -8.505 -9.169 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.400 -8.359 -9.108 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.607 -8.073 -7.620 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.487 -6.847 -7.429 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.214 -9.281 -6.923 1.00 0.00 C ATOM 0 H LEU A 71 -1.594 -8.827 -11.412 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.752 -6.439 -9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.362 -8.265 -9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.082 -9.396 -9.217 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.635 -7.871 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.623 -6.659 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.012 -5.982 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.458 -7.020 -7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.354 -9.058 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.178 -9.516 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.546 -10.136 -7.029 1.00 0.00 H new ATOM 1070 N PHE A 72 0.280 -6.422 -8.413 1.00 0.00 N ATOM 1071 CA PHE A 72 1.534 -6.336 -7.674 1.00 0.00 C ATOM 1072 C PHE A 72 1.328 -6.707 -6.208 1.00 0.00 C ATOM 1073 O PHE A 72 0.539 -6.080 -5.502 1.00 0.00 O ATOM 1074 CB PHE A 72 2.115 -4.924 -7.778 1.00 0.00 C ATOM 1075 CG PHE A 72 2.508 -4.539 -9.175 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.750 -4.890 -9.681 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.637 -3.827 -9.983 1.00 0.00 C ATOM 1078 CE1 PHE A 72 4.115 -4.536 -10.966 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.996 -3.470 -11.270 1.00 0.00 C ATOM 1080 CZ PHE A 72 3.236 -3.827 -11.762 1.00 0.00 C ATOM 0 H PHE A 72 -0.305 -5.589 -8.350 1.00 0.00 H new ATOM 0 HA PHE A 72 2.236 -7.044 -8.114 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.381 -4.209 -7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.988 -4.851 -7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.440 -5.446 -9.064 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.665 -3.547 -9.603 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.086 -4.813 -11.348 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.308 -2.913 -11.889 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.518 -3.552 -12.768 1.00 0.00 H new ATOM 1090 N VAL A 73 2.045 -7.731 -5.757 1.00 0.00 N ATOM 1091 CA VAL A 73 1.943 -8.187 -4.376 1.00 0.00 C ATOM 1092 C VAL A 73 3.137 -7.718 -3.553 1.00 0.00 C ATOM 1093 O VAL A 73 4.289 -7.943 -3.926 1.00 0.00 O ATOM 1094 CB VAL A 73 1.850 -9.722 -4.297 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.467 -10.162 -2.892 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.854 -10.249 -5.320 1.00 0.00 C ATOM 0 H VAL A 73 2.703 -8.261 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 73 1.030 -7.754 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 73 2.829 -10.140 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.406 -11.250 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.221 -9.817 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.499 -9.735 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.801 -11.335 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.130 -9.824 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.177 -9.965 -6.322 1.00 0.00 H new ATOM 1106 N VAL A 74 2.856 -7.065 -2.430 1.00 0.00 N ATOM 1107 CA VAL A 74 3.907 -6.565 -1.552 1.00 0.00 C ATOM 1108 C VAL A 74 3.660 -6.983 -0.107 1.00 0.00 C ATOM 1109 O VAL A 74 2.694 -7.684 0.192 1.00 0.00 O ATOM 1110 CB VAL A 74 4.013 -5.030 -1.621 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.639 -4.596 -2.938 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.644 -4.393 -1.436 1.00 0.00 C ATOM 0 H VAL A 74 1.909 -6.870 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 74 4.844 -7.002 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 74 4.659 -4.691 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.706 -3.508 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.638 -5.023 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.022 -4.945 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.737 -3.308 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.973 -4.737 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.239 -4.676 -0.465 1.00 0.00 H new ATOM 1122 N LYS A 75 4.541 -6.546 0.788 1.00 0.00 N ATOM 1123 CA LYS A 75 4.419 -6.872 2.204 1.00 0.00 C ATOM 1124 C LYS A 75 3.517 -5.870 2.917 1.00 0.00 C ATOM 1125 O LYS A 75 2.927 -4.994 2.285 1.00 0.00 O ATOM 1126 CB LYS A 75 5.799 -6.891 2.864 1.00 0.00 C ATOM 1127 CG LYS A 75 6.734 -7.942 2.290 1.00 0.00 C ATOM 1128 CD LYS A 75 8.191 -7.585 2.531 1.00 0.00 C ATOM 1129 CE LYS A 75 9.088 -8.134 1.433 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.529 -8.042 1.797 1.00 0.00 N ATOM 0 H LYS A 75 5.347 -5.965 0.557 1.00 0.00 H new ATOM 0 HA LYS A 75 3.970 -7.862 2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.259 -5.909 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.679 -7.069 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.516 -8.910 2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.556 -8.043 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.298 -6.501 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.509 -7.982 3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.828 -9.175 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.911 -7.583 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.108 -8.426 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.783 -7.047 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.704 -8.589 2.664 1.00 0.00 H new ATOM 1144 N GLN A 76 3.415 -6.006 4.235 1.00 0.00 N ATOM 1145 CA GLN A 76 2.585 -5.112 5.033 1.00 0.00 C ATOM 1146 C GLN A 76 3.253 -3.751 5.198 1.00 0.00 C ATOM 1147 O GLN A 76 2.582 -2.720 5.235 1.00 0.00 O ATOM 1148 CB GLN A 76 2.309 -5.727 6.406 1.00 0.00 C ATOM 1149 CG GLN A 76 3.563 -5.955 7.234 1.00 0.00 C ATOM 1150 CD GLN A 76 4.288 -7.231 6.856 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.593 -8.359 6.955 1.00 0.00 O flip ATOM 1152 NE2 GLN A 76 5.460 -7.206 6.480 1.00 0.00 N flip ATOM 0 H GLN A 76 3.897 -6.727 4.773 1.00 0.00 H new ATOM 0 HA GLN A 76 1.640 -4.971 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.633 -5.074 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.794 -6.678 6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.237 -5.108 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.295 -5.993 8.290 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.957 -6.317 6.418 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.934 -8.074 6.230 1.00 0.00 H new ATOM 1161 N GLU A 77 4.579 -3.756 5.296 1.00 0.00 N ATOM 1162 CA GLU A 77 5.337 -2.521 5.458 1.00 0.00 C ATOM 1163 C GLU A 77 4.972 -1.512 4.373 1.00 0.00 C ATOM 1164 O GLU A 77 4.623 -0.368 4.666 1.00 0.00 O ATOM 1165 CB GLU A 77 6.839 -2.809 5.416 1.00 0.00 C ATOM 1166 CG GLU A 77 7.696 -1.638 5.866 1.00 0.00 C ATOM 1167 CD GLU A 77 7.409 -1.219 7.294 1.00 0.00 C ATOM 1168 OE1 GLU A 77 6.861 -2.042 8.056 1.00 0.00 O ATOM 1169 OE2 GLU A 77 7.733 -0.066 7.650 1.00 0.00 O ATOM 0 H GLU A 77 5.150 -4.601 5.266 1.00 0.00 H new ATOM 0 HA GLU A 77 5.083 -2.094 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.053 -3.670 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.119 -3.084 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.748 -1.907 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.525 -0.791 5.202 1.00 0.00 H new ATOM 1176 N TRP A 78 5.055 -1.944 3.120 1.00 0.00 N ATOM 1177 CA TRP A 78 4.734 -1.079 1.990 1.00 0.00 C ATOM 1178 C TRP A 78 3.568 -0.156 2.326 1.00 0.00 C ATOM 1179 O TRP A 78 3.705 1.068 2.302 1.00 0.00 O ATOM 1180 CB TRP A 78 4.398 -1.919 0.757 1.00 0.00 C ATOM 1181 CG TRP A 78 4.237 -1.105 -0.491 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.191 -0.855 -1.435 1.00 0.00 C ATOM 1183 CD2 TRP A 78 3.051 -0.432 -0.928 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.670 -0.068 -2.433 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.359 0.205 -2.146 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.759 -0.307 -0.410 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.421 0.955 -2.851 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.830 0.438 -1.111 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.164 1.060 -2.321 1.00 0.00 C ATOM 0 H TRP A 78 5.342 -2.888 2.860 1.00 0.00 H new ATOM 0 HA TRP A 78 5.608 -0.465 1.774 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.186 -2.656 0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.477 -2.472 0.943 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.206 -1.222 -1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.177 0.260 -3.255 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.492 -0.784 0.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.677 1.437 -3.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.171 0.543 -0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.414 1.634 -2.846 1.00 0.00 H new ATOM 1200 N PHE A 79 2.421 -0.749 2.638 1.00 0.00 N ATOM 1201 CA PHE A 79 1.230 0.021 2.977 1.00 0.00 C ATOM 1202 C PHE A 79 1.535 1.042 4.069 1.00 0.00 C ATOM 1203 O PHE A 79 1.244 2.229 3.923 1.00 0.00 O ATOM 1204 CB PHE A 79 0.107 -0.912 3.436 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.082 -0.187 3.998 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.003 0.418 3.158 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.281 -0.112 5.368 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.097 1.086 3.673 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.374 0.555 5.888 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.284 1.153 5.040 1.00 0.00 C ATOM 0 H PHE A 79 2.291 -1.760 2.663 1.00 0.00 H new ATOM 0 HA PHE A 79 0.907 0.555 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.215 -1.522 2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.498 -1.593 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.864 0.367 2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.574 -0.580 6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.806 1.556 3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.516 0.608 6.957 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.140 1.672 5.444 1.00 0.00 H new ATOM 1220 N TRP A 80 2.123 0.571 5.163 1.00 0.00 N ATOM 1221 CA TRP A 80 2.468 1.443 6.280 1.00 0.00 C ATOM 1222 C TRP A 80 3.371 2.584 5.823 1.00 0.00 C ATOM 1223 O TRP A 80 2.990 3.752 5.884 1.00 0.00 O ATOM 1224 CB TRP A 80 3.159 0.641 7.385 1.00 0.00 C ATOM 1225 CG TRP A 80 2.254 -0.346 8.057 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.459 -1.690 8.186 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.001 -0.067 8.690 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.408 -2.264 8.861 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.501 -1.289 9.182 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.253 1.096 8.891 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.712 -1.378 9.860 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.951 1.006 9.564 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.423 -0.223 10.043 1.00 0.00 C ATOM 0 H TRP A 80 2.371 -0.409 5.300 1.00 0.00 H new ATOM 0 HA TRP A 80 1.545 1.870 6.673 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.011 0.111 6.960 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.552 1.330 8.132 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.320 -2.224 7.812 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.318 -3.255 9.086 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.609 2.048 8.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.079 -2.325 10.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.538 1.898 9.723 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.367 -0.260 10.567 1.00 0.00 H new ATOM 1244 N GLY A 81 4.569 2.237 5.363 1.00 0.00 N ATOM 1245 CA GLY A 81 5.507 3.244 4.902 1.00 0.00 C ATOM 1246 C GLY A 81 4.848 4.293 4.028 1.00 0.00 C ATOM 1247 O GLY A 81 4.793 5.467 4.391 1.00 0.00 O ATOM 0 H GLY A 81 4.907 1.277 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.967 3.729 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.308 2.761 4.343 1.00 0.00 H new ATOM 1251 N SER A 82 4.348 3.868 2.872 1.00 0.00 N ATOM 1252 CA SER A 82 3.694 4.780 1.941 1.00 0.00 C ATOM 1253 C SER A 82 2.881 5.831 2.690 1.00 0.00 C ATOM 1254 O SER A 82 2.802 6.986 2.271 1.00 0.00 O ATOM 1255 CB SER A 82 2.787 4.003 0.985 1.00 0.00 C ATOM 1256 OG SER A 82 3.547 3.191 0.107 1.00 0.00 O ATOM 0 H SER A 82 4.383 2.898 2.558 1.00 0.00 H new ATOM 0 HA SER A 82 4.468 5.287 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.099 3.380 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.180 4.700 0.407 1.00 0.00 H new ATOM 0 HG SER A 82 3.795 2.359 0.563 1.00 0.00 H new ATOM 1262 N ILE A 83 2.278 5.421 3.801 1.00 0.00 N ATOM 1263 CA ILE A 83 1.471 6.327 4.611 1.00 0.00 C ATOM 1264 C ILE A 83 2.351 7.289 5.401 1.00 0.00 C ATOM 1265 O ILE A 83 2.155 8.503 5.357 1.00 0.00 O ATOM 1266 CB ILE A 83 0.567 5.554 5.589 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.352 4.600 4.823 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.249 6.521 6.433 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.875 3.458 5.666 1.00 0.00 C ATOM 0 H ILE A 83 2.333 4.468 4.161 1.00 0.00 H new ATOM 0 HA ILE A 83 0.845 6.894 3.922 1.00 0.00 H new ATOM 0 HB ILE A 83 1.197 4.965 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.196 5.163 4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.190 4.192 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.883 5.959 7.119 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.423 7.163 7.003 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.873 7.135 5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.519 2.822 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.038 2.871 6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.446 3.857 6.505 1.00 0.00 H new ATOM 1281 N GLN A 84 3.322 6.738 6.122 1.00 0.00 N ATOM 1282 CA GLN A 84 4.233 7.548 6.922 1.00 0.00 C ATOM 1283 C GLN A 84 4.889 8.630 6.070 1.00 0.00 C ATOM 1284 O GLN A 84 4.960 9.791 6.471 1.00 0.00 O ATOM 1285 CB GLN A 84 5.306 6.666 7.562 1.00 0.00 C ATOM 1286 CG GLN A 84 5.816 7.196 8.892 1.00 0.00 C ATOM 1287 CD GLN A 84 6.883 8.260 8.726 1.00 0.00 C ATOM 1288 OE1 GLN A 84 7.344 8.526 7.615 1.00 0.00 O ATOM 1289 NE2 GLN A 84 7.281 8.878 9.832 1.00 0.00 N ATOM 0 H GLN A 84 3.498 5.734 6.169 1.00 0.00 H new ATOM 0 HA GLN A 84 3.654 8.031 7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.901 5.665 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.145 6.571 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.981 7.609 9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.220 6.370 9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.872 8.626 10.732 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.995 9.604 9.781 1.00 0.00 H new ATOM 1298 N MET A 85 5.369 8.241 4.893 1.00 0.00 N ATOM 1299 CA MET A 85 6.018 9.179 3.985 1.00 0.00 C ATOM 1300 C MET A 85 5.012 9.769 3.002 1.00 0.00 C ATOM 1301 O MET A 85 5.357 10.622 2.184 1.00 0.00 O ATOM 1302 CB MET A 85 7.147 8.483 3.222 1.00 0.00 C ATOM 1303 CG MET A 85 6.663 7.388 2.286 1.00 0.00 C ATOM 1304 SD MET A 85 7.996 6.677 1.300 1.00 0.00 S ATOM 1305 CE MET A 85 7.528 4.948 1.296 1.00 0.00 C ATOM 0 H MET A 85 5.321 7.283 4.546 1.00 0.00 H new ATOM 0 HA MET A 85 6.437 9.991 4.579 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.696 9.227 2.645 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.848 8.054 3.938 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.188 6.600 2.870 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.901 7.795 1.621 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.267 4.372 0.739 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.480 4.582 2.321 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.551 4.837 0.825 1.00 0.00 H new ATOM 1315 N ASP A 86 3.769 9.309 3.087 1.00 0.00 N ATOM 1316 CA ASP A 86 2.713 9.792 2.205 1.00 0.00 C ATOM 1317 C ASP A 86 3.160 9.748 0.748 1.00 0.00 C ATOM 1318 O ASP A 86 2.838 10.640 -0.038 1.00 0.00 O ATOM 1319 CB ASP A 86 2.314 11.219 2.587 1.00 0.00 C ATOM 1320 CG ASP A 86 1.431 11.264 3.818 1.00 0.00 C ATOM 1321 OD1 ASP A 86 1.922 10.918 4.913 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.248 11.644 3.688 1.00 0.00 O ATOM 0 H ASP A 86 3.468 8.602 3.758 1.00 0.00 H new ATOM 0 HA ASP A 86 1.849 9.138 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.213 11.809 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.791 11.683 1.751 1.00 0.00 H new ATOM 1327 N ALA A 87 3.903 8.705 0.393 1.00 0.00 N ATOM 1328 CA ALA A 87 4.393 8.545 -0.970 1.00 0.00 C ATOM 1329 C ALA A 87 4.394 7.077 -1.384 1.00 0.00 C ATOM 1330 O ALA A 87 4.923 6.222 -0.673 1.00 0.00 O ATOM 1331 CB ALA A 87 5.791 9.133 -1.101 1.00 0.00 C ATOM 0 H ALA A 87 4.179 7.958 1.031 1.00 0.00 H new ATOM 0 HA ALA A 87 3.720 9.084 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.145 9.006 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.764 10.195 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.467 8.620 -0.417 1.00 0.00 H new ATOM 1337 N ARG A 88 3.798 6.792 -2.537 1.00 0.00 N ATOM 1338 CA ARG A 88 3.728 5.427 -3.044 1.00 0.00 C ATOM 1339 C ARG A 88 5.125 4.834 -3.203 1.00 0.00 C ATOM 1340 O ARG A 88 5.848 5.167 -4.142 1.00 0.00 O ATOM 1341 CB ARG A 88 2.993 5.395 -4.385 1.00 0.00 C ATOM 1342 CG ARG A 88 2.452 4.022 -4.751 1.00 0.00 C ATOM 1343 CD ARG A 88 1.710 4.052 -6.078 1.00 0.00 C ATOM 1344 NE ARG A 88 2.606 3.840 -7.211 1.00 0.00 N ATOM 1345 CZ ARG A 88 3.284 4.816 -7.804 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.169 6.064 -7.373 1.00 0.00 N ATOM 1347 NH2 ARG A 88 4.080 4.543 -8.830 1.00 0.00 N ATOM 0 H ARG A 88 3.357 7.488 -3.138 1.00 0.00 H new ATOM 0 HA ARG A 88 3.177 4.826 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.167 6.105 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.672 5.730 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.274 3.309 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.782 3.673 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.937 3.284 -6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.205 5.012 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 88 2.717 2.890 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.559 6.277 -6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.691 6.812 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.171 3.583 -9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.601 5.293 -9.285 1.00 0.00 H new ATOM 1361 N ALA A 89 5.498 3.954 -2.280 1.00 0.00 N ATOM 1362 CA ALA A 89 6.807 3.314 -2.318 1.00 0.00 C ATOM 1363 C ALA A 89 6.904 2.333 -3.482 1.00 0.00 C ATOM 1364 O ALA A 89 5.892 1.838 -3.975 1.00 0.00 O ATOM 1365 CB ALA A 89 7.087 2.604 -1.002 1.00 0.00 C ATOM 0 H ALA A 89 4.912 3.668 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 89 7.559 4.089 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.068 2.131 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.069 3.328 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.325 1.844 -0.829 1.00 0.00 H new ATOM 1371 N GLY A 90 8.130 2.058 -3.917 1.00 0.00 N ATOM 1372 CA GLY A 90 8.336 1.137 -5.020 1.00 0.00 C ATOM 1373 C GLY A 90 8.114 -0.307 -4.619 1.00 0.00 C ATOM 1374 O GLY A 90 8.747 -0.803 -3.687 1.00 0.00 O ATOM 0 H GLY A 90 8.984 2.456 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.658 1.393 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.350 1.253 -5.401 1.00 0.00 H new ATOM 1378 N GLU A 91 7.212 -0.984 -5.323 1.00 0.00 N ATOM 1379 CA GLU A 91 6.908 -2.380 -5.033 1.00 0.00 C ATOM 1380 C GLU A 91 8.181 -3.219 -4.999 1.00 0.00 C ATOM 1381 O GLU A 91 8.323 -4.122 -4.173 1.00 0.00 O ATOM 1382 CB GLU A 91 5.941 -2.942 -6.077 1.00 0.00 C ATOM 1383 CG GLU A 91 4.672 -2.121 -6.236 1.00 0.00 C ATOM 1384 CD GLU A 91 3.721 -2.286 -5.066 1.00 0.00 C ATOM 1385 OE1 GLU A 91 3.071 -3.348 -4.974 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.627 -1.352 -4.243 1.00 0.00 O ATOM 0 H GLU A 91 6.679 -0.588 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 91 6.438 -2.426 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.450 -2.998 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.672 -3.961 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.935 -1.068 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.166 -2.415 -7.155 1.00 0.00 H new ATOM 1393 N THR A 92 9.107 -2.916 -5.904 1.00 0.00 N ATOM 1394 CA THR A 92 10.368 -3.643 -5.980 1.00 0.00 C ATOM 1395 C THR A 92 11.107 -3.602 -4.647 1.00 0.00 C ATOM 1396 O THR A 92 12.068 -4.342 -4.437 1.00 0.00 O ATOM 1397 CB THR A 92 11.282 -3.068 -7.079 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.625 -3.137 -8.349 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.598 -3.829 -7.141 1.00 0.00 C ATOM 0 H THR A 92 9.007 -2.172 -6.594 1.00 0.00 H new ATOM 0 HA THR A 92 10.123 -4.677 -6.225 1.00 0.00 H new ATOM 0 HB THR A 92 11.494 -2.027 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.212 -2.768 -9.041 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.227 -3.405 -7.924 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.110 -3.750 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.402 -4.878 -7.362 1.00 0.00 H new ATOM 1407 N MET A 93 10.653 -2.734 -3.750 1.00 0.00 N ATOM 1408 CA MET A 93 11.271 -2.599 -2.436 1.00 0.00 C ATOM 1409 C MET A 93 10.553 -3.465 -1.406 1.00 0.00 C ATOM 1410 O MET A 93 11.109 -3.787 -0.356 1.00 0.00 O ATOM 1411 CB MET A 93 11.256 -1.136 -1.989 1.00 0.00 C ATOM 1412 CG MET A 93 12.114 -0.227 -2.854 1.00 0.00 C ATOM 1413 SD MET A 93 12.579 1.297 -2.011 1.00 0.00 S ATOM 1414 CE MET A 93 11.871 2.522 -3.110 1.00 0.00 C ATOM 0 H MET A 93 9.859 -2.113 -3.909 1.00 0.00 H new ATOM 0 HA MET A 93 12.304 -2.937 -2.512 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.229 -0.772 -2.001 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.603 -1.076 -0.958 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.015 -0.762 -3.153 1.00 0.00 H new ATOM 0 HG3 MET A 93 11.571 0.018 -3.767 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.461 3.344 -2.523 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.644 2.903 -3.777 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.076 2.066 -3.699 1.00 0.00 H new ATOM 1424 N TYR A 94 9.315 -3.838 -1.713 1.00 0.00 N ATOM 1425 CA TYR A 94 8.521 -4.664 -0.812 1.00 0.00 C ATOM 1426 C TYR A 94 7.836 -5.796 -1.573 1.00 0.00 C ATOM 1427 O TYR A 94 6.807 -6.317 -1.141 1.00 0.00 O ATOM 1428 CB TYR A 94 7.474 -3.811 -0.094 1.00 0.00 C ATOM 1429 CG TYR A 94 8.012 -2.492 0.413 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.451 -1.513 -0.470 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.082 -2.225 1.775 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.944 -0.307 -0.012 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.572 -1.021 2.242 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.002 -0.065 1.345 1.00 0.00 C ATOM 1435 OH TYR A 94 9.492 1.135 1.807 1.00 0.00 O ATOM 0 H TYR A 94 8.840 -3.581 -2.579 1.00 0.00 H new ATOM 0 HA TYR A 94 9.193 -5.101 -0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.645 -3.618 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.071 -4.376 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.406 -1.698 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.748 -2.972 2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.282 0.442 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.618 -0.829 3.304 1.00 0.00 H new ATOM 0 HH TYR A 94 9.463 1.145 2.787 1.00 0.00 H new ATOM 1445 N LEU A 95 8.415 -6.172 -2.708 1.00 0.00 N ATOM 1446 CA LEU A 95 7.862 -7.243 -3.530 1.00 0.00 C ATOM 1447 C LEU A 95 7.714 -8.528 -2.723 1.00 0.00 C ATOM 1448 O LEU A 95 8.690 -9.050 -2.183 1.00 0.00 O ATOM 1449 CB LEU A 95 8.756 -7.491 -4.747 1.00 0.00 C ATOM 1450 CG LEU A 95 8.420 -6.686 -6.002 1.00 0.00 C ATOM 1451 CD1 LEU A 95 9.446 -6.946 -7.094 1.00 0.00 C ATOM 1452 CD2 LEU A 95 7.019 -7.024 -6.493 1.00 0.00 C ATOM 0 H LEU A 95 9.267 -5.752 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 95 6.873 -6.934 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.787 -7.274 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.710 -8.551 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 95 8.450 -5.626 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.190 -6.364 -7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.435 -6.654 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.449 -8.007 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.796 -6.442 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.963 -8.087 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.294 -6.786 -5.715 1.00 0.00 H new ATOM 1464 N TYR A 96 6.489 -9.035 -2.646 1.00 0.00 N ATOM 1465 CA TYR A 96 6.213 -10.259 -1.905 1.00 0.00 C ATOM 1466 C TYR A 96 6.761 -11.478 -2.642 1.00 0.00 C ATOM 1467 O TYR A 96 6.061 -12.103 -3.437 1.00 0.00 O ATOM 1468 CB TYR A 96 4.708 -10.418 -1.684 1.00 0.00 C ATOM 1469 CG TYR A 96 4.318 -11.764 -1.114 1.00 0.00 C ATOM 1470 CD1 TYR A 96 4.340 -11.992 0.256 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.929 -12.806 -1.946 1.00 0.00 C ATOM 1472 CE1 TYR A 96 3.986 -13.220 0.781 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.571 -14.037 -1.429 1.00 0.00 C ATOM 1474 CZ TYR A 96 3.602 -14.239 -0.065 1.00 0.00 C ATOM 1475 OH TYR A 96 3.247 -15.463 0.453 1.00 0.00 O ATOM 0 H TYR A 96 5.671 -8.617 -3.088 1.00 0.00 H new ATOM 0 HA TYR A 96 6.710 -10.187 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.363 -9.634 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.192 -10.272 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.639 -11.196 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.906 -12.652 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.010 -13.381 1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.269 -14.836 -2.090 1.00 0.00 H new ATOM 0 HH TYR A 96 3.798 -16.163 0.045 1.00 0.00 H new ATOM 1485 N GLU A 97 8.020 -11.808 -2.369 1.00 0.00 N ATOM 1486 CA GLU A 97 8.663 -12.951 -3.006 1.00 0.00 C ATOM 1487 C GLU A 97 8.260 -14.254 -2.321 1.00 0.00 C ATOM 1488 O GLU A 97 9.109 -15.074 -1.971 1.00 0.00 O ATOM 1489 CB GLU A 97 10.185 -12.794 -2.971 1.00 0.00 C ATOM 1490 CG GLU A 97 10.722 -11.838 -4.023 1.00 0.00 C ATOM 1491 CD GLU A 97 12.158 -11.427 -3.759 1.00 0.00 C ATOM 1492 OE1 GLU A 97 12.366 -10.435 -3.029 1.00 0.00 O ATOM 1493 OE2 GLU A 97 13.073 -12.097 -4.282 1.00 0.00 O ATOM 0 H GLU A 97 8.613 -11.301 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 97 8.332 -12.988 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.483 -12.440 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.646 -13.772 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.657 -12.309 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.093 -10.948 -4.055 1.00 0.00 H new ATOM 1500 N LYS A 98 6.958 -14.438 -2.132 1.00 0.00 N ATOM 1501 CA LYS A 98 6.439 -15.640 -1.490 1.00 0.00 C ATOM 1502 C LYS A 98 7.396 -16.136 -0.410 1.00 0.00 C ATOM 1503 O LYS A 98 7.653 -17.334 -0.299 1.00 0.00 O ATOM 1504 CB LYS A 98 6.211 -16.740 -2.529 1.00 0.00 C ATOM 1505 CG LYS A 98 7.482 -17.185 -3.233 1.00 0.00 C ATOM 1506 CD LYS A 98 7.363 -18.608 -3.751 1.00 0.00 C ATOM 1507 CE LYS A 98 7.448 -19.622 -2.621 1.00 0.00 C ATOM 1508 NZ LYS A 98 8.827 -19.723 -2.068 1.00 0.00 N ATOM 0 H LYS A 98 6.242 -13.769 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 98 5.488 -15.390 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.756 -17.601 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.499 -16.383 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.694 -16.511 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.324 -17.117 -2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.416 -18.727 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.156 -18.800 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.758 -19.339 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.130 -20.599 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.976 -20.676 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.518 -19.545 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.951 -19.018 -1.313 1.00 0.00 H new ATOM 1522 N ALA A 99 7.919 -15.206 0.383 1.00 0.00 N ATOM 1523 CA ALA A 99 8.844 -15.550 1.456 1.00 0.00 C ATOM 1524 C ALA A 99 8.151 -16.375 2.535 1.00 0.00 C ATOM 1525 O ALA A 99 6.925 -16.380 2.634 1.00 0.00 O ATOM 1526 CB ALA A 99 9.446 -14.289 2.058 1.00 0.00 C ATOM 0 H ALA A 99 7.718 -14.209 0.302 1.00 0.00 H new ATOM 0 HA ALA A 99 9.645 -16.155 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.135 -14.561 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.985 -13.739 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.650 -13.663 2.461 1.00 0.00 H new ATOM 1532 N ASN A 100 8.945 -17.073 3.340 1.00 0.00 N ATOM 1533 CA ASN A 100 8.407 -17.904 4.411 1.00 0.00 C ATOM 1534 C ASN A 100 8.269 -17.104 5.703 1.00 0.00 C ATOM 1535 O ASN A 100 8.757 -15.978 5.805 1.00 0.00 O ATOM 1536 CB ASN A 100 9.308 -19.118 4.645 1.00 0.00 C ATOM 1537 CG ASN A 100 10.472 -18.807 5.566 1.00 0.00 C ATOM 1538 OD1 ASN A 100 11.364 -18.033 5.217 1.00 0.00 O ATOM 1539 ND2 ASN A 100 10.467 -19.410 6.749 1.00 0.00 N ATOM 0 H ASN A 100 9.963 -17.080 3.271 1.00 0.00 H new ATOM 0 HA ASN A 100 7.418 -18.247 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.717 -19.928 5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.691 -19.473 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.224 -19.239 7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.707 -20.044 6.995 1.00 0.00 H new ATOM 1546 N THR A 101 7.601 -17.693 6.690 1.00 0.00 N ATOM 1547 CA THR A 101 7.398 -17.036 7.974 1.00 0.00 C ATOM 1548 C THR A 101 8.635 -17.158 8.856 1.00 0.00 C ATOM 1549 O THR A 101 9.345 -18.164 8.836 1.00 0.00 O ATOM 1550 CB THR A 101 6.188 -17.628 8.723 1.00 0.00 C ATOM 1551 OG1 THR A 101 6.387 -19.028 8.945 1.00 0.00 O ATOM 1552 CG2 THR A 101 4.905 -17.411 7.934 1.00 0.00 C ATOM 0 H THR A 101 7.191 -18.625 6.624 1.00 0.00 H new ATOM 0 HA THR A 101 7.207 -15.984 7.763 1.00 0.00 H new ATOM 0 HB THR A 101 6.097 -17.118 9.682 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.615 -19.396 9.423 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.064 -17.837 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.742 -16.343 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.989 -17.898 6.962 1.00 0.00 H new ATOM 1560 N PRO A 102 8.902 -16.111 9.651 1.00 0.00 N ATOM 1561 CA PRO A 102 10.055 -16.077 10.556 1.00 0.00 C ATOM 1562 C PRO A 102 9.904 -17.049 11.722 1.00 0.00 C ATOM 1563 O PRO A 102 10.791 -17.158 12.568 1.00 0.00 O ATOM 1564 CB PRO A 102 10.067 -14.633 11.062 1.00 0.00 C ATOM 1565 CG PRO A 102 8.655 -14.175 10.933 1.00 0.00 C ATOM 1566 CD PRO A 102 8.099 -14.879 9.727 1.00 0.00 C ATOM 0 HA PRO A 102 10.976 -16.374 10.055 1.00 0.00 H new ATOM 0 HB2 PRO A 102 10.408 -14.579 12.096 1.00 0.00 H new ATOM 0 HB3 PRO A 102 10.740 -14.012 10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 102 8.082 -14.421 11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.606 -13.093 10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.038 -15.098 9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.203 -14.275 8.826 1.00 0.00 H new ATOM 1574 N GLU A 103 8.777 -17.752 11.759 1.00 0.00 N ATOM 1575 CA GLU A 103 8.511 -18.714 12.822 1.00 0.00 C ATOM 1576 C GLU A 103 8.234 -18.002 14.143 1.00 0.00 C ATOM 1577 O GLU A 103 8.678 -18.443 15.203 1.00 0.00 O ATOM 1578 CB GLU A 103 9.696 -19.669 12.983 1.00 0.00 C ATOM 1579 CG GLU A 103 9.308 -21.034 13.524 1.00 0.00 C ATOM 1580 CD GLU A 103 8.042 -21.575 12.887 1.00 0.00 C ATOM 1581 OE1 GLU A 103 7.927 -21.510 11.646 1.00 0.00 O ATOM 1582 OE2 GLU A 103 7.167 -22.065 13.632 1.00 0.00 O ATOM 0 H GLU A 103 8.033 -17.674 11.065 1.00 0.00 H new ATOM 0 HA GLU A 103 7.626 -19.287 12.546 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.184 -19.796 12.016 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.428 -19.217 13.652 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.125 -21.735 13.352 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.168 -20.967 14.603 1.00 0.00 H new ATOM 1589 N SER A 104 7.499 -16.897 14.071 1.00 0.00 N ATOM 1590 CA SER A 104 7.166 -16.121 15.259 1.00 0.00 C ATOM 1591 C SER A 104 5.752 -15.556 15.161 1.00 0.00 C ATOM 1592 O SER A 104 5.122 -15.609 14.105 1.00 0.00 O ATOM 1593 CB SER A 104 8.170 -14.982 15.448 1.00 0.00 C ATOM 1594 OG SER A 104 7.953 -13.949 14.502 1.00 0.00 O ATOM 0 H SER A 104 7.123 -16.519 13.202 1.00 0.00 H new ATOM 0 HA SER A 104 7.214 -16.786 16.122 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.083 -14.580 16.457 1.00 0.00 H new ATOM 0 HB3 SER A 104 9.185 -15.367 15.345 1.00 0.00 H new ATOM 0 HG SER A 104 8.606 -13.232 14.645 1.00 0.00 H new ATOM 1600 N GLY A 105 5.259 -15.016 16.271 1.00 0.00 N ATOM 1601 CA GLY A 105 3.923 -14.449 16.290 1.00 0.00 C ATOM 1602 C GLY A 105 3.802 -13.281 17.248 1.00 0.00 C ATOM 1603 O GLY A 105 4.794 -12.784 17.783 1.00 0.00 O ATOM 0 H GLY A 105 5.761 -14.961 17.157 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.657 -14.120 15.285 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.208 -15.222 16.572 1.00 0.00 H new ATOM 1607 N PRO A 106 2.562 -12.822 17.475 1.00 0.00 N ATOM 1608 CA PRO A 106 2.286 -11.698 18.374 1.00 0.00 C ATOM 1609 C PRO A 106 2.528 -12.053 19.837 1.00 0.00 C ATOM 1610 O PRO A 106 2.296 -11.239 20.730 1.00 0.00 O ATOM 1611 CB PRO A 106 0.803 -11.406 18.133 1.00 0.00 C ATOM 1612 CG PRO A 106 0.237 -12.697 17.652 1.00 0.00 C ATOM 1613 CD PRO A 106 1.334 -13.366 16.871 1.00 0.00 C ATOM 0 HA PRO A 106 2.939 -10.848 18.176 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.311 -11.074 19.047 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.670 -10.616 17.394 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.081 -13.319 18.489 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.640 -12.530 17.027 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.288 -14.451 16.962 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.271 -13.132 15.808 1.00 0.00 H new ATOM 1621 N SER A 107 2.997 -13.274 20.075 1.00 0.00 N ATOM 1622 CA SER A 107 3.267 -13.738 21.431 1.00 0.00 C ATOM 1623 C SER A 107 3.774 -12.595 22.306 1.00 0.00 C ATOM 1624 O SER A 107 4.544 -11.748 21.854 1.00 0.00 O ATOM 1625 CB SER A 107 4.293 -14.873 21.409 1.00 0.00 C ATOM 1626 OG SER A 107 3.765 -16.026 20.777 1.00 0.00 O ATOM 0 H SER A 107 3.198 -13.959 19.347 1.00 0.00 H new ATOM 0 HA SER A 107 2.334 -14.109 21.854 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.191 -14.546 20.884 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.591 -15.118 22.428 1.00 0.00 H new ATOM 0 HG SER A 107 4.441 -16.736 20.774 1.00 0.00 H new ATOM 1632 N SER A 108 3.336 -12.580 23.561 1.00 0.00 N ATOM 1633 CA SER A 108 3.741 -11.540 24.499 1.00 0.00 C ATOM 1634 C SER A 108 3.113 -10.200 24.129 1.00 0.00 C ATOM 1635 O SER A 108 3.744 -9.151 24.250 1.00 0.00 O ATOM 1636 CB SER A 108 5.266 -11.412 24.523 1.00 0.00 C ATOM 1637 OG SER A 108 5.702 -10.736 25.690 1.00 0.00 O ATOM 0 H SER A 108 2.701 -13.276 23.951 1.00 0.00 H new ATOM 0 HA SER A 108 3.391 -11.824 25.492 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.718 -12.403 24.482 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.603 -10.872 23.638 1.00 0.00 H new ATOM 0 HG SER A 108 5.233 -9.879 25.766 1.00 0.00 H new ATOM 1643 N GLY A 109 1.863 -10.244 23.677 1.00 0.00 N ATOM 1644 CA GLY A 109 1.169 -9.028 23.296 1.00 0.00 C ATOM 1645 C GLY A 109 0.445 -8.384 24.462 1.00 0.00 C ATOM 1646 O GLY A 109 -0.158 -9.074 25.284 1.00 0.00 O ATOM 0 H GLY A 109 1.319 -11.100 23.568 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.886 -8.319 22.881 1.00 0.00 H new ATOM 0 HA3 GLY A 109 0.452 -9.255 22.507 1.00 0.00 H new TER 1650 GLY A 109