USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.124 (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 38:sc= 0.97 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 50:sc= 0.275 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 59:sc= 0.537 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 28 GLN : amide:sc= -7.32! C(o=-7.3!,f=-12!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.403) USER MOD Single : A 32 MET CE :methyl -153:sc= -7.9! (180deg=-12.6!) USER MOD Single : A 44 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -5.31! C(o=-5.3!,f=-5.7!) USER MOD Single : A 53 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.17) USER MOD Single : A 55 CYS SG : rot -45:sc= -0.714 USER MOD Single : A 58 THR OG1 : rot -159:sc= -2.12! USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 156:sc= -4.44! (180deg=-6.45!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.0189 F(o=-0.58,f=-0.019) USER MOD Single : A 71 ASN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.298 K(o=0.3,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 75 SER OG : rot 59:sc= 0.306 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.745 26.477 2.995 1.00 0.00 N ATOM 2 CA GLY A 1 -9.679 25.481 3.492 1.00 0.00 C ATOM 3 C GLY A 1 -9.044 24.089 3.498 1.00 0.00 C ATOM 4 O GLY A 1 -7.878 23.933 3.137 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.684 27.264 3.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.806 26.045 2.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.076 26.836 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.995 25.745 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.574 25.474 2.870 1.00 0.00 H new ATOM 8 N SER A 2 -9.839 23.113 3.911 1.00 0.00 N ATOM 9 CA SER A 2 -9.369 21.739 3.968 1.00 0.00 C ATOM 10 C SER A 2 -10.082 20.898 2.907 1.00 0.00 C ATOM 11 O SER A 2 -11.252 21.129 2.609 1.00 0.00 O ATOM 12 CB SER A 2 -9.591 21.138 5.358 1.00 0.00 C ATOM 13 OG SER A 2 -10.974 21.064 5.693 1.00 0.00 O ATOM 0 H SER A 2 -10.805 23.246 4.209 1.00 0.00 H new ATOM 0 HA SER A 2 -8.298 21.735 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.155 20.140 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.070 21.741 6.101 1.00 0.00 H new ATOM 0 HG SER A 2 -11.074 20.674 6.586 1.00 0.00 H new ATOM 19 N SER A 3 -9.345 19.939 2.365 1.00 0.00 N ATOM 20 CA SER A 3 -9.891 19.063 1.343 1.00 0.00 C ATOM 21 C SER A 3 -9.437 17.623 1.591 1.00 0.00 C ATOM 22 O SER A 3 -8.460 17.166 1.001 1.00 0.00 O ATOM 23 CB SER A 3 -9.470 19.518 -0.056 1.00 0.00 C ATOM 24 OG SER A 3 -10.583 19.951 -0.834 1.00 0.00 O ATOM 0 H SER A 3 -8.374 19.750 2.615 1.00 0.00 H new ATOM 0 HA SER A 3 -10.979 19.110 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.749 20.331 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.967 18.698 -0.568 1.00 0.00 H new ATOM 0 HG SER A 3 -10.273 20.235 -1.719 1.00 0.00 H new ATOM 30 N GLY A 4 -10.169 16.948 2.465 1.00 0.00 N ATOM 31 CA GLY A 4 -9.854 15.570 2.799 1.00 0.00 C ATOM 32 C GLY A 4 -10.921 14.617 2.257 1.00 0.00 C ATOM 33 O GLY A 4 -12.096 14.733 2.603 1.00 0.00 O ATOM 0 H GLY A 4 -10.980 17.330 2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.881 15.305 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.781 15.462 3.881 1.00 0.00 H new ATOM 37 N SER A 5 -10.474 13.696 1.415 1.00 0.00 N ATOM 38 CA SER A 5 -11.376 12.723 0.822 1.00 0.00 C ATOM 39 C SER A 5 -11.526 11.515 1.748 1.00 0.00 C ATOM 40 O SER A 5 -10.624 11.210 2.527 1.00 0.00 O ATOM 41 CB SER A 5 -10.878 12.278 -0.555 1.00 0.00 C ATOM 42 OG SER A 5 -9.600 11.653 -0.483 1.00 0.00 O ATOM 0 H SER A 5 -9.499 13.603 1.130 1.00 0.00 H new ATOM 0 HA SER A 5 -12.350 13.195 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.596 11.585 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.822 13.142 -1.217 1.00 0.00 H new ATOM 0 HG SER A 5 -9.317 11.382 -1.381 1.00 0.00 H new ATOM 48 N SER A 6 -12.671 10.860 1.633 1.00 0.00 N ATOM 49 CA SER A 6 -12.951 9.691 2.451 1.00 0.00 C ATOM 50 C SER A 6 -14.154 8.933 1.886 1.00 0.00 C ATOM 51 O SER A 6 -15.287 9.157 2.309 1.00 0.00 O ATOM 52 CB SER A 6 -13.208 10.086 3.906 1.00 0.00 C ATOM 53 OG SER A 6 -12.003 10.142 4.665 1.00 0.00 O ATOM 0 H SER A 6 -13.417 11.116 0.986 1.00 0.00 H new ATOM 0 HA SER A 6 -12.077 9.040 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.701 11.058 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.890 9.368 4.361 1.00 0.00 H new ATOM 0 HG SER A 6 -11.284 10.510 4.110 1.00 0.00 H new ATOM 59 N GLY A 7 -13.866 8.051 0.940 1.00 0.00 N ATOM 60 CA GLY A 7 -14.911 7.259 0.313 1.00 0.00 C ATOM 61 C GLY A 7 -14.567 5.768 0.354 1.00 0.00 C ATOM 62 O GLY A 7 -14.161 5.250 1.393 1.00 0.00 O ATOM 0 H GLY A 7 -12.925 7.867 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.859 7.432 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.043 7.577 -0.721 1.00 0.00 H new ATOM 66 N SER A 8 -14.742 5.122 -0.789 1.00 0.00 N ATOM 67 CA SER A 8 -14.456 3.702 -0.897 1.00 0.00 C ATOM 68 C SER A 8 -13.490 3.449 -2.057 1.00 0.00 C ATOM 69 O SER A 8 -13.803 3.753 -3.207 1.00 0.00 O ATOM 70 CB SER A 8 -15.740 2.894 -1.091 1.00 0.00 C ATOM 71 OG SER A 8 -15.474 1.512 -1.314 1.00 0.00 O ATOM 0 H SER A 8 -15.078 5.556 -1.649 1.00 0.00 H new ATOM 0 HA SER A 8 -13.991 3.376 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.373 3.004 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.297 3.297 -1.937 1.00 0.00 H new ATOM 0 HG SER A 8 -16.320 1.031 -1.432 1.00 0.00 H new ATOM 77 N ASN A 9 -12.336 2.896 -1.715 1.00 0.00 N ATOM 78 CA ASN A 9 -11.323 2.599 -2.713 1.00 0.00 C ATOM 79 C ASN A 9 -10.915 1.129 -2.598 1.00 0.00 C ATOM 80 O ASN A 9 -10.148 0.761 -1.711 1.00 0.00 O ATOM 81 CB ASN A 9 -10.073 3.454 -2.500 1.00 0.00 C ATOM 82 CG ASN A 9 -10.132 4.732 -3.339 1.00 0.00 C ATOM 83 OD1 ASN A 9 -10.726 5.728 -2.960 1.00 0.00 O ATOM 84 ND2 ASN A 9 -9.486 4.648 -4.499 1.00 0.00 N ATOM 0 H ASN A 9 -12.080 2.646 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.744 2.814 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.980 3.712 -1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.186 2.880 -2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.468 5.448 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.009 3.784 -4.756 1.00 0.00 H new ATOM 91 N PRO A 10 -11.462 0.306 -3.534 1.00 0.00 N ATOM 92 CA PRO A 10 -11.163 -1.116 -3.546 1.00 0.00 C ATOM 93 C PRO A 10 -9.756 -1.376 -4.089 1.00 0.00 C ATOM 94 O PRO A 10 -9.237 -0.590 -4.880 1.00 0.00 O ATOM 95 CB PRO A 10 -12.254 -1.740 -4.400 1.00 0.00 C ATOM 96 CG PRO A 10 -12.850 -0.601 -5.213 1.00 0.00 C ATOM 97 CD PRO A 10 -12.375 0.707 -4.600 1.00 0.00 C ATOM 0 HA PRO A 10 -11.158 -1.553 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.846 -2.513 -5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.013 -2.215 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.537 -0.671 -6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.939 -0.654 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.872 1.331 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.210 1.287 -4.209 1.00 0.00 H new ATOM 105 N SER A 11 -9.179 -2.481 -3.642 1.00 0.00 N ATOM 106 CA SER A 11 -7.842 -2.854 -4.073 1.00 0.00 C ATOM 107 C SER A 11 -7.922 -3.733 -5.323 1.00 0.00 C ATOM 108 O SER A 11 -7.374 -3.385 -6.367 1.00 0.00 O ATOM 109 CB SER A 11 -7.088 -3.583 -2.959 1.00 0.00 C ATOM 110 OG SER A 11 -5.680 -3.585 -3.181 1.00 0.00 O ATOM 0 H SER A 11 -9.612 -3.130 -2.986 1.00 0.00 H new ATOM 0 HA SER A 11 -7.292 -1.943 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.304 -3.106 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.446 -4.610 -2.891 1.00 0.00 H new ATOM 0 HG SER A 11 -5.234 -4.058 -2.448 1.00 0.00 H new ATOM 116 N SER A 12 -8.610 -4.856 -5.174 1.00 0.00 N ATOM 117 CA SER A 12 -8.768 -5.788 -6.278 1.00 0.00 C ATOM 118 C SER A 12 -10.079 -5.508 -7.015 1.00 0.00 C ATOM 119 O SER A 12 -11.154 -5.559 -6.418 1.00 0.00 O ATOM 120 CB SER A 12 -8.735 -7.236 -5.786 1.00 0.00 C ATOM 121 OG SER A 12 -8.272 -8.132 -6.793 1.00 0.00 O ATOM 0 H SER A 12 -9.064 -5.141 -4.306 1.00 0.00 H new ATOM 0 HA SER A 12 -7.934 -5.648 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.088 -7.307 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.734 -7.534 -5.468 1.00 0.00 H new ATOM 0 HG SER A 12 -8.264 -9.046 -6.439 1.00 0.00 H new ATOM 127 N SER A 13 -9.948 -5.218 -8.301 1.00 0.00 N ATOM 128 CA SER A 13 -11.109 -4.930 -9.126 1.00 0.00 C ATOM 129 C SER A 13 -10.698 -4.840 -10.596 1.00 0.00 C ATOM 130 O SER A 13 -10.442 -3.752 -11.108 1.00 0.00 O ATOM 131 CB SER A 13 -11.789 -3.632 -8.685 1.00 0.00 C ATOM 132 OG SER A 13 -10.867 -2.548 -8.600 1.00 0.00 O ATOM 0 H SER A 13 -9.055 -5.176 -8.792 1.00 0.00 H new ATOM 0 HA SER A 13 -11.824 -5.743 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.581 -3.380 -9.390 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.262 -3.782 -7.715 1.00 0.00 H new ATOM 0 HG SER A 13 -10.345 -2.497 -9.428 1.00 0.00 H new ATOM 138 N GLY A 14 -10.647 -6.000 -11.235 1.00 0.00 N ATOM 139 CA GLY A 14 -10.271 -6.067 -12.637 1.00 0.00 C ATOM 140 C GLY A 14 -9.290 -7.214 -12.888 1.00 0.00 C ATOM 141 O GLY A 14 -8.572 -7.631 -11.980 1.00 0.00 O ATOM 0 H GLY A 14 -10.860 -6.901 -10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.162 -6.205 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.818 -5.123 -12.941 1.00 0.00 H new ATOM 145 N GLY A 15 -9.291 -7.691 -14.124 1.00 0.00 N ATOM 146 CA GLY A 15 -8.409 -8.782 -14.505 1.00 0.00 C ATOM 147 C GLY A 15 -7.247 -8.274 -15.360 1.00 0.00 C ATOM 148 O GLY A 15 -7.344 -7.216 -15.981 1.00 0.00 O ATOM 0 H GLY A 15 -9.888 -7.343 -14.874 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.021 -9.270 -13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.972 -9.533 -15.059 1.00 0.00 H new ATOM 152 N THR A 16 -6.174 -9.051 -15.365 1.00 0.00 N ATOM 153 CA THR A 16 -4.994 -8.693 -16.134 1.00 0.00 C ATOM 154 C THR A 16 -5.196 -9.036 -17.611 1.00 0.00 C ATOM 155 O THR A 16 -6.088 -9.810 -17.956 1.00 0.00 O ATOM 156 CB THR A 16 -3.789 -9.397 -15.506 1.00 0.00 C ATOM 157 OG1 THR A 16 -2.675 -8.609 -15.916 1.00 0.00 O ATOM 158 CG2 THR A 16 -3.524 -10.770 -16.127 1.00 0.00 C ATOM 0 H THR A 16 -6.097 -9.927 -14.849 1.00 0.00 H new ATOM 0 HA THR A 16 -4.813 -7.619 -16.104 1.00 0.00 H new ATOM 0 HB THR A 16 -3.952 -9.509 -14.434 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.851 -8.993 -15.551 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.659 -11.226 -15.646 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.396 -11.408 -15.985 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.327 -10.655 -17.193 1.00 0.00 H new ATOM 166 N THR A 17 -4.352 -8.445 -18.444 1.00 0.00 N ATOM 167 CA THR A 17 -4.426 -8.678 -19.876 1.00 0.00 C ATOM 168 C THR A 17 -3.207 -8.078 -20.578 1.00 0.00 C ATOM 169 O THR A 17 -2.542 -8.754 -21.362 1.00 0.00 O ATOM 170 CB THR A 17 -5.756 -8.112 -20.379 1.00 0.00 C ATOM 171 OG1 THR A 17 -6.532 -9.268 -20.685 1.00 0.00 O ATOM 172 CG2 THR A 17 -5.616 -7.392 -21.721 1.00 0.00 C ATOM 0 H THR A 17 -3.613 -7.805 -18.154 1.00 0.00 H new ATOM 0 HA THR A 17 -4.402 -9.743 -20.105 1.00 0.00 H new ATOM 0 HB THR A 17 -6.160 -7.423 -19.638 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.632 -9.818 -19.880 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.588 -7.010 -22.032 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.916 -6.563 -21.618 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.243 -8.090 -22.471 1.00 0.00 H new ATOM 180 N LYS A 18 -2.949 -6.815 -20.272 1.00 0.00 N ATOM 181 CA LYS A 18 -1.821 -6.116 -20.864 1.00 0.00 C ATOM 182 C LYS A 18 -1.710 -4.721 -20.246 1.00 0.00 C ATOM 183 O LYS A 18 -1.889 -3.717 -20.934 1.00 0.00 O ATOM 184 CB LYS A 18 -1.938 -6.106 -22.389 1.00 0.00 C ATOM 185 CG LYS A 18 -3.188 -5.346 -22.838 1.00 0.00 C ATOM 186 CD LYS A 18 -2.840 -4.293 -23.892 1.00 0.00 C ATOM 187 CE LYS A 18 -4.028 -4.033 -24.820 1.00 0.00 C ATOM 188 NZ LYS A 18 -3.564 -3.491 -26.117 1.00 0.00 N ATOM 0 H LYS A 18 -3.502 -6.257 -19.621 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.890 -6.638 -20.642 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.051 -5.643 -22.822 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.977 -7.130 -22.761 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.917 -6.046 -23.245 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.654 -4.865 -21.978 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.547 -3.365 -23.401 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.983 -4.628 -24.477 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.579 -4.959 -24.983 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.716 -3.330 -24.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.383 -3.320 -26.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.058 -2.597 -25.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.925 -4.175 -26.570 1.00 0.00 H new ATOM 202 N ARG A 19 -1.414 -4.703 -18.955 1.00 0.00 N ATOM 203 CA ARG A 19 -1.276 -3.447 -18.236 1.00 0.00 C ATOM 204 C ARG A 19 -0.096 -3.517 -17.266 1.00 0.00 C ATOM 205 O ARG A 19 0.079 -4.514 -16.566 1.00 0.00 O ATOM 206 CB ARG A 19 -2.550 -3.117 -17.456 1.00 0.00 C ATOM 207 CG ARG A 19 -3.456 -2.179 -18.257 1.00 0.00 C ATOM 208 CD ARG A 19 -4.785 -1.950 -17.534 1.00 0.00 C ATOM 209 NE ARG A 19 -5.734 -1.250 -18.428 1.00 0.00 N ATOM 210 CZ ARG A 19 -6.398 -1.843 -19.430 1.00 0.00 C ATOM 211 NH1 ARG A 19 -6.222 -3.149 -19.671 1.00 0.00 N ATOM 212 NH2 ARG A 19 -7.240 -1.129 -20.190 1.00 0.00 N ATOM 0 H ARG A 19 -1.266 -5.538 -18.388 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.099 -2.662 -18.971 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.087 -4.037 -17.224 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.289 -2.652 -16.505 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.952 -1.225 -18.411 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.643 -2.603 -19.244 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.206 -2.905 -17.219 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.621 -1.361 -16.632 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.893 -0.255 -18.272 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.582 -3.693 -19.092 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.728 -3.600 -20.434 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.375 -0.135 -20.006 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.746 -1.580 -20.953 1.00 0.00 H new ATOM 226 N PHE A 20 0.684 -2.447 -17.254 1.00 0.00 N ATOM 227 CA PHE A 20 1.843 -2.374 -16.381 1.00 0.00 C ATOM 228 C PHE A 20 1.490 -1.696 -15.056 1.00 0.00 C ATOM 229 O PHE A 20 0.926 -0.603 -15.045 1.00 0.00 O ATOM 230 CB PHE A 20 2.897 -1.534 -17.105 1.00 0.00 C ATOM 231 CG PHE A 20 4.236 -2.248 -17.300 1.00 0.00 C ATOM 232 CD1 PHE A 20 4.867 -2.813 -16.235 1.00 0.00 C ATOM 233 CD2 PHE A 20 4.796 -2.318 -18.537 1.00 0.00 C ATOM 234 CE1 PHE A 20 6.110 -3.475 -16.416 1.00 0.00 C ATOM 235 CE2 PHE A 20 6.039 -2.981 -18.718 1.00 0.00 C ATOM 236 CZ PHE A 20 6.669 -3.545 -17.653 1.00 0.00 C ATOM 0 H PHE A 20 0.536 -1.622 -17.836 1.00 0.00 H new ATOM 0 HA PHE A 20 2.205 -3.378 -16.159 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.507 -1.242 -18.080 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.065 -0.616 -16.541 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.422 -2.758 -15.252 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.295 -1.869 -19.382 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.611 -3.923 -15.571 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.483 -3.037 -19.701 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.614 -4.049 -17.790 1.00 0.00 H new ATOM 246 N ARG A 21 1.836 -2.373 -13.971 1.00 0.00 N ATOM 247 CA ARG A 21 1.562 -1.850 -12.643 1.00 0.00 C ATOM 248 C ARG A 21 2.455 -2.537 -11.608 1.00 0.00 C ATOM 249 O ARG A 21 2.780 -3.715 -11.747 1.00 0.00 O ATOM 250 CB ARG A 21 0.095 -2.059 -12.260 1.00 0.00 C ATOM 251 CG ARG A 21 -0.324 -3.515 -12.470 1.00 0.00 C ATOM 252 CD ARG A 21 -1.624 -3.824 -11.725 1.00 0.00 C ATOM 253 NE ARG A 21 -1.736 -5.280 -11.485 1.00 0.00 N ATOM 254 CZ ARG A 21 -1.236 -5.905 -10.410 1.00 0.00 C ATOM 255 NH1 ARG A 21 -0.587 -5.206 -9.470 1.00 0.00 N ATOM 256 NH2 ARG A 21 -1.386 -7.230 -10.276 1.00 0.00 N ATOM 0 H ARG A 21 2.304 -3.279 -13.984 1.00 0.00 H new ATOM 0 HA ARG A 21 1.773 -0.781 -12.658 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.056 -1.780 -11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.538 -1.405 -12.859 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.456 -3.709 -13.534 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.467 -4.179 -12.120 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.645 -3.288 -10.776 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.478 -3.476 -12.307 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.224 -5.843 -12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.473 -4.198 -9.572 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.207 -5.682 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.880 -7.762 -10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.006 -7.706 -9.458 1.00 0.00 H new ATOM 270 N THR A 22 2.826 -1.771 -10.592 1.00 0.00 N ATOM 271 CA THR A 22 3.675 -2.290 -9.534 1.00 0.00 C ATOM 272 C THR A 22 2.865 -3.181 -8.589 1.00 0.00 C ATOM 273 O THR A 22 1.678 -2.943 -8.371 1.00 0.00 O ATOM 274 CB THR A 22 4.336 -1.103 -8.831 1.00 0.00 C ATOM 275 OG1 THR A 22 3.245 -0.251 -8.490 1.00 0.00 O ATOM 276 CG2 THR A 22 5.185 -0.258 -9.783 1.00 0.00 C ATOM 0 H THR A 22 2.554 -0.794 -10.480 1.00 0.00 H new ATOM 0 HA THR A 22 4.463 -2.927 -9.937 1.00 0.00 H new ATOM 0 HB THR A 22 4.959 -1.466 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.583 0.544 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.631 0.571 -9.234 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.974 -0.876 -10.212 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.555 0.133 -10.582 1.00 0.00 H new ATOM 284 N LYS A 23 3.539 -4.189 -8.055 1.00 0.00 N ATOM 285 CA LYS A 23 2.897 -5.116 -7.139 1.00 0.00 C ATOM 286 C LYS A 23 3.693 -5.171 -5.834 1.00 0.00 C ATOM 287 O LYS A 23 4.870 -5.528 -5.835 1.00 0.00 O ATOM 288 CB LYS A 23 2.709 -6.482 -7.803 1.00 0.00 C ATOM 289 CG LYS A 23 2.119 -7.494 -6.819 1.00 0.00 C ATOM 290 CD LYS A 23 0.862 -8.149 -7.395 1.00 0.00 C ATOM 291 CE LYS A 23 1.167 -9.553 -7.920 1.00 0.00 C ATOM 292 NZ LYS A 23 -0.084 -10.323 -8.098 1.00 0.00 N ATOM 0 H LYS A 23 4.523 -4.384 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 23 1.895 -4.769 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.051 -6.383 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.668 -6.846 -8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.860 -8.260 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.876 -6.995 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.091 -8.204 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.464 -7.534 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.697 -9.485 -8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.825 -10.073 -7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.141 -11.274 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.575 -10.403 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.699 -9.834 -8.780 1.00 0.00 H new ATOM 306 N PHE A 24 3.019 -4.812 -4.751 1.00 0.00 N ATOM 307 CA PHE A 24 3.649 -4.816 -3.442 1.00 0.00 C ATOM 308 C PHE A 24 2.778 -5.545 -2.416 1.00 0.00 C ATOM 309 O PHE A 24 1.676 -5.989 -2.736 1.00 0.00 O ATOM 310 CB PHE A 24 3.803 -3.355 -3.015 1.00 0.00 C ATOM 311 CG PHE A 24 4.881 -2.592 -3.788 1.00 0.00 C ATOM 312 CD1 PHE A 24 6.040 -3.214 -4.133 1.00 0.00 C ATOM 313 CD2 PHE A 24 4.680 -1.291 -4.130 1.00 0.00 C ATOM 314 CE1 PHE A 24 7.040 -2.506 -4.850 1.00 0.00 C ATOM 315 CE2 PHE A 24 5.681 -0.583 -4.847 1.00 0.00 C ATOM 316 CZ PHE A 24 6.839 -1.205 -5.192 1.00 0.00 C ATOM 0 H PHE A 24 2.043 -4.516 -4.754 1.00 0.00 H new ATOM 0 HA PHE A 24 4.610 -5.329 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.848 -2.846 -3.145 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.040 -3.321 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.200 -4.247 -3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.760 -0.797 -3.856 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.960 -3.000 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.522 0.450 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.600 -0.666 -5.738 1.00 0.00 H new ATOM 326 N THR A 25 3.305 -5.646 -1.205 1.00 0.00 N ATOM 327 CA THR A 25 2.590 -6.313 -0.131 1.00 0.00 C ATOM 328 C THR A 25 1.910 -5.286 0.776 1.00 0.00 C ATOM 329 O THR A 25 2.303 -4.121 0.805 1.00 0.00 O ATOM 330 CB THR A 25 3.581 -7.215 0.609 1.00 0.00 C ATOM 331 OG1 THR A 25 2.818 -7.764 1.680 1.00 0.00 O ATOM 332 CG2 THR A 25 4.686 -6.420 1.308 1.00 0.00 C ATOM 0 H THR A 25 4.219 -5.277 -0.944 1.00 0.00 H new ATOM 0 HA THR A 25 1.787 -6.939 -0.520 1.00 0.00 H new ATOM 0 HB THR A 25 4.028 -7.917 -0.095 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.383 -8.363 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.362 -7.107 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.243 -5.844 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.241 -5.742 2.036 1.00 0.00 H new ATOM 340 N ALA A 26 0.900 -5.755 1.495 1.00 0.00 N ATOM 341 CA ALA A 26 0.161 -4.891 2.400 1.00 0.00 C ATOM 342 C ALA A 26 1.130 -3.914 3.070 1.00 0.00 C ATOM 343 O ALA A 26 0.957 -2.700 2.976 1.00 0.00 O ATOM 344 CB ALA A 26 -0.599 -5.746 3.415 1.00 0.00 C ATOM 0 H ALA A 26 0.576 -6.722 1.469 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.576 -4.302 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.153 -5.098 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.294 -6.402 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.108 -6.349 3.985 1.00 0.00 H new ATOM 350 N GLU A 27 2.128 -4.481 3.732 1.00 0.00 N ATOM 351 CA GLU A 27 3.124 -3.675 4.417 1.00 0.00 C ATOM 352 C GLU A 27 3.526 -2.478 3.553 1.00 0.00 C ATOM 353 O GLU A 27 3.238 -1.334 3.899 1.00 0.00 O ATOM 354 CB GLU A 27 4.347 -4.516 4.791 1.00 0.00 C ATOM 355 CG GLU A 27 4.670 -4.381 6.280 1.00 0.00 C ATOM 356 CD GLU A 27 3.477 -4.801 7.141 1.00 0.00 C ATOM 357 OE1 GLU A 27 3.137 -6.003 7.092 1.00 0.00 O ATOM 358 OE2 GLU A 27 2.931 -3.911 7.828 1.00 0.00 O ATOM 0 H GLU A 27 2.268 -5.488 3.808 1.00 0.00 H new ATOM 0 HA GLU A 27 2.685 -3.299 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.161 -5.562 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.206 -4.199 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.535 -4.997 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.940 -3.349 6.505 1.00 0.00 H new ATOM 365 N GLN A 28 4.184 -2.784 2.444 1.00 0.00 N ATOM 366 CA GLN A 28 4.627 -1.748 1.528 1.00 0.00 C ATOM 367 C GLN A 28 3.510 -0.728 1.298 1.00 0.00 C ATOM 368 O GLN A 28 3.699 0.467 1.520 1.00 0.00 O ATOM 369 CB GLN A 28 5.099 -2.352 0.203 1.00 0.00 C ATOM 370 CG GLN A 28 6.579 -2.051 -0.040 1.00 0.00 C ATOM 371 CD GLN A 28 7.185 -3.048 -1.030 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.493 -3.798 -1.698 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.514 -3.013 -1.088 1.00 0.00 N ATOM 0 H GLN A 28 4.421 -3.735 2.160 1.00 0.00 H new ATOM 0 HA GLN A 28 5.476 -1.233 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.940 -3.430 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.503 -1.950 -0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.689 -1.037 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.122 -2.094 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.033 -2.360 -0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.014 -3.639 -1.720 1.00 0.00 H new ATOM 382 N LYS A 29 2.369 -1.238 0.856 1.00 0.00 N ATOM 383 CA LYS A 29 1.221 -0.387 0.594 1.00 0.00 C ATOM 384 C LYS A 29 1.000 0.546 1.786 1.00 0.00 C ATOM 385 O LYS A 29 1.162 1.760 1.668 1.00 0.00 O ATOM 386 CB LYS A 29 -0.003 -1.233 0.240 1.00 0.00 C ATOM 387 CG LYS A 29 0.155 -1.877 -1.139 1.00 0.00 C ATOM 388 CD LYS A 29 0.052 -3.400 -1.048 1.00 0.00 C ATOM 389 CE LYS A 29 -1.168 -3.914 -1.815 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.947 -4.856 -0.979 1.00 0.00 N ATOM 0 H LYS A 29 2.216 -2.230 0.673 1.00 0.00 H new ATOM 0 HA LYS A 29 1.406 0.244 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.144 -2.008 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.897 -0.609 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.613 -1.497 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.119 -1.599 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.957 -3.854 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.018 -3.702 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.798 -3.076 -2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.847 -4.411 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.771 -5.195 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.348 -5.665 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.270 -4.371 -0.118 1.00 0.00 H new ATOM 404 N GLU A 30 0.634 -0.056 2.908 1.00 0.00 N ATOM 405 CA GLU A 30 0.389 0.705 4.121 1.00 0.00 C ATOM 406 C GLU A 30 1.552 1.661 4.392 1.00 0.00 C ATOM 407 O GLU A 30 1.339 2.824 4.733 1.00 0.00 O ATOM 408 CB GLU A 30 0.154 -0.224 5.314 1.00 0.00 C ATOM 409 CG GLU A 30 -1.077 -1.105 5.089 1.00 0.00 C ATOM 410 CD GLU A 30 -1.565 -1.711 6.406 1.00 0.00 C ATOM 411 OE1 GLU A 30 -0.779 -2.476 7.005 1.00 0.00 O ATOM 412 OE2 GLU A 30 -2.715 -1.396 6.784 1.00 0.00 O ATOM 0 H GLU A 30 0.501 -1.063 3.002 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.516 1.296 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.031 -0.852 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.021 0.368 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.874 -0.514 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.835 -1.902 4.386 1.00 0.00 H new ATOM 419 N LYS A 31 2.758 1.136 4.229 1.00 0.00 N ATOM 420 CA LYS A 31 3.955 1.928 4.451 1.00 0.00 C ATOM 421 C LYS A 31 3.919 3.164 3.550 1.00 0.00 C ATOM 422 O LYS A 31 4.196 4.274 4.000 1.00 0.00 O ATOM 423 CB LYS A 31 5.208 1.069 4.267 1.00 0.00 C ATOM 424 CG LYS A 31 5.722 0.554 5.613 1.00 0.00 C ATOM 425 CD LYS A 31 5.699 -0.975 5.661 1.00 0.00 C ATOM 426 CE LYS A 31 7.105 -1.538 5.874 1.00 0.00 C ATOM 427 NZ LYS A 31 7.255 -2.049 7.255 1.00 0.00 N ATOM 0 H LYS A 31 2.931 0.172 3.946 1.00 0.00 H new ATOM 0 HA LYS A 31 3.990 2.285 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.983 0.226 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.986 1.654 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.738 0.911 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.108 0.956 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.044 -1.307 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.284 -1.365 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.294 -2.340 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.846 -0.762 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.257 -2.014 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.696 -1.461 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.917 -3.032 7.300 1.00 0.00 H new ATOM 441 N MET A 32 3.575 2.929 2.292 1.00 0.00 N ATOM 442 CA MET A 32 3.499 4.009 1.323 1.00 0.00 C ATOM 443 C MET A 32 2.403 5.008 1.700 1.00 0.00 C ATOM 444 O MET A 32 2.645 6.213 1.745 1.00 0.00 O ATOM 445 CB MET A 32 3.208 3.431 -0.064 1.00 0.00 C ATOM 446 CG MET A 32 4.468 2.815 -0.676 1.00 0.00 C ATOM 447 SD MET A 32 4.058 1.291 -1.511 1.00 0.00 S ATOM 448 CE MET A 32 4.145 1.836 -3.209 1.00 0.00 C ATOM 0 H MET A 32 3.346 2.007 1.922 1.00 0.00 H new ATOM 0 HA MET A 32 4.455 4.533 1.315 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.428 2.674 0.010 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.829 4.217 -0.717 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.920 3.514 -1.379 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.206 2.625 0.104 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.489 1.219 -3.823 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.829 2.877 -3.274 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.170 1.745 -3.568 1.00 0.00 H new ATOM 458 N LEU A 33 1.221 4.469 1.961 1.00 0.00 N ATOM 459 CA LEU A 33 0.087 5.298 2.333 1.00 0.00 C ATOM 460 C LEU A 33 0.544 6.363 3.331 1.00 0.00 C ATOM 461 O LEU A 33 0.256 7.546 3.158 1.00 0.00 O ATOM 462 CB LEU A 33 -1.066 4.432 2.843 1.00 0.00 C ATOM 463 CG LEU A 33 -2.138 4.066 1.814 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.108 5.228 1.597 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.502 3.598 0.503 1.00 0.00 C ATOM 0 H LEU A 33 1.024 3.469 1.922 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.302 5.824 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.650 3.510 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.548 4.954 3.670 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.718 3.231 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.860 4.942 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.598 5.474 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.559 6.098 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.285 3.344 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.883 4.396 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.884 2.720 0.691 1.00 0.00 H new ATOM 477 N ALA A 34 1.250 5.905 4.354 1.00 0.00 N ATOM 478 CA ALA A 34 1.751 6.803 5.381 1.00 0.00 C ATOM 479 C ALA A 34 2.887 7.649 4.802 1.00 0.00 C ATOM 480 O ALA A 34 2.800 8.876 4.774 1.00 0.00 O ATOM 481 CB ALA A 34 2.192 5.991 6.600 1.00 0.00 C ATOM 0 H ALA A 34 1.487 4.923 4.494 1.00 0.00 H new ATOM 0 HA ALA A 34 0.967 7.484 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.568 6.665 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.342 5.431 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.981 5.297 6.309 1.00 0.00 H new ATOM 487 N PHE A 35 3.926 6.960 4.355 1.00 0.00 N ATOM 488 CA PHE A 35 5.078 7.633 3.778 1.00 0.00 C ATOM 489 C PHE A 35 4.647 8.845 2.949 1.00 0.00 C ATOM 490 O PHE A 35 5.003 9.978 3.268 1.00 0.00 O ATOM 491 CB PHE A 35 5.773 6.624 2.862 1.00 0.00 C ATOM 492 CG PHE A 35 7.221 6.986 2.523 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.192 6.862 3.467 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.536 7.432 1.277 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.535 7.197 3.152 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.879 7.768 0.962 1.00 0.00 C ATOM 497 CZ PHE A 35 9.850 7.643 1.906 1.00 0.00 C ATOM 0 H PHE A 35 3.995 5.943 4.380 1.00 0.00 H new ATOM 0 HA PHE A 35 5.738 7.985 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.756 5.644 3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.204 6.538 1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.941 6.509 4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.765 7.530 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.306 7.098 3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.129 8.123 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.872 7.898 1.666 1.00 0.00 H new ATOM 507 N ALA A 36 3.887 8.564 1.901 1.00 0.00 N ATOM 508 CA ALA A 36 3.404 9.616 1.023 1.00 0.00 C ATOM 509 C ALA A 36 2.694 10.684 1.858 1.00 0.00 C ATOM 510 O ALA A 36 3.036 11.864 1.784 1.00 0.00 O ATOM 511 CB ALA A 36 2.492 9.011 -0.046 1.00 0.00 C ATOM 0 H ALA A 36 3.594 7.623 1.640 1.00 0.00 H new ATOM 0 HA ALA A 36 4.235 10.098 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.130 9.800 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.051 8.280 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.644 8.521 0.434 1.00 0.00 H new ATOM 517 N GLU A 37 1.719 10.233 2.633 1.00 0.00 N ATOM 518 CA GLU A 37 0.959 11.135 3.481 1.00 0.00 C ATOM 519 C GLU A 37 1.901 12.077 4.234 1.00 0.00 C ATOM 520 O GLU A 37 1.569 13.239 4.465 1.00 0.00 O ATOM 521 CB GLU A 37 0.071 10.356 4.453 1.00 0.00 C ATOM 522 CG GLU A 37 -1.352 10.222 3.907 1.00 0.00 C ATOM 523 CD GLU A 37 -2.073 11.572 3.917 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.743 12.398 3.039 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.938 11.747 4.803 1.00 0.00 O ATOM 0 H GLU A 37 1.438 9.254 2.691 1.00 0.00 H new ATOM 0 HA GLU A 37 0.307 11.736 2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.494 9.366 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.048 10.864 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.320 9.831 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.910 9.503 4.508 1.00 0.00 H new ATOM 532 N ARG A 38 3.058 11.541 4.595 1.00 0.00 N ATOM 533 CA ARG A 38 4.050 12.319 5.317 1.00 0.00 C ATOM 534 C ARG A 38 4.709 13.336 4.383 1.00 0.00 C ATOM 535 O ARG A 38 4.859 14.504 4.738 1.00 0.00 O ATOM 536 CB ARG A 38 5.129 11.415 5.917 1.00 0.00 C ATOM 537 CG ARG A 38 4.532 10.086 6.385 1.00 0.00 C ATOM 538 CD ARG A 38 5.085 9.689 7.755 1.00 0.00 C ATOM 539 NE ARG A 38 4.988 10.832 8.690 1.00 0.00 N ATOM 540 CZ ARG A 38 5.461 10.819 9.944 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.065 9.722 10.421 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.328 11.902 10.722 1.00 0.00 N ATOM 0 H ARG A 38 3.330 10.577 4.401 1.00 0.00 H new ATOM 0 HA ARG A 38 3.538 12.841 6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.906 11.228 5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.606 11.920 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.446 10.169 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.757 9.306 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.529 8.838 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.124 9.374 7.660 1.00 0.00 H new ATOM 0 HE ARG A 38 4.533 11.683 8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.165 8.897 9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.425 9.712 11.375 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.867 12.737 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.688 11.892 11.676 1.00 0.00 H new ATOM 556 N LEU A 39 5.084 12.856 3.207 1.00 0.00 N ATOM 557 CA LEU A 39 5.724 13.709 2.219 1.00 0.00 C ATOM 558 C LEU A 39 4.651 14.468 1.436 1.00 0.00 C ATOM 559 O LEU A 39 4.958 15.162 0.468 1.00 0.00 O ATOM 560 CB LEU A 39 6.667 12.891 1.335 1.00 0.00 C ATOM 561 CG LEU A 39 7.349 11.697 2.006 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.059 10.401 1.245 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.850 11.943 2.169 1.00 0.00 C ATOM 0 H LEU A 39 4.957 11.887 2.915 1.00 0.00 H new ATOM 0 HA LEU A 39 6.350 14.455 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.103 12.526 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.440 13.556 0.950 1.00 0.00 H new ATOM 0 HG LEU A 39 6.932 11.583 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.555 9.568 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.984 10.223 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.431 10.487 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.310 11.079 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.302 12.098 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.009 12.828 2.786 1.00 0.00 H new ATOM 575 N GLY A 40 3.414 14.310 1.885 1.00 0.00 N ATOM 576 CA GLY A 40 2.293 14.972 1.238 1.00 0.00 C ATOM 577 C GLY A 40 2.095 14.449 -0.186 1.00 0.00 C ATOM 578 O GLY A 40 1.605 15.171 -1.054 1.00 0.00 O ATOM 0 H GLY A 40 3.163 13.734 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.385 14.809 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.466 16.048 1.213 1.00 0.00 H new ATOM 582 N TRP A 41 2.486 13.199 -0.383 1.00 0.00 N ATOM 583 CA TRP A 41 2.358 12.571 -1.687 1.00 0.00 C ATOM 584 C TRP A 41 3.319 13.274 -2.647 1.00 0.00 C ATOM 585 O TRP A 41 3.223 13.105 -3.862 1.00 0.00 O ATOM 586 CB TRP A 41 0.906 12.599 -2.168 1.00 0.00 C ATOM 587 CG TRP A 41 -0.054 11.784 -1.298 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.764 12.200 -0.241 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.382 10.387 -1.456 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.523 11.178 0.293 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.283 10.041 -0.469 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.068 9.448 -2.400 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.811 8.751 -0.332 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.469 8.164 -2.249 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.376 7.799 -1.262 1.00 0.00 C ATOM 0 H TRP A 41 2.892 12.604 0.339 1.00 0.00 H new ATOM 0 HA TRP A 41 2.628 11.516 -1.635 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.564 13.633 -2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.865 12.220 -3.189 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.745 13.208 0.145 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.145 11.245 1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.772 9.697 -3.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.515 8.504 0.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.156 7.404 -2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.744 6.785 -1.212 1.00 0.00 H new ATOM 606 N ARG A 42 4.225 14.047 -2.066 1.00 0.00 N ATOM 607 CA ARG A 42 5.203 14.777 -2.855 1.00 0.00 C ATOM 608 C ARG A 42 6.613 14.520 -2.321 1.00 0.00 C ATOM 609 O ARG A 42 6.799 14.311 -1.123 1.00 0.00 O ATOM 610 CB ARG A 42 4.921 16.280 -2.829 1.00 0.00 C ATOM 611 CG ARG A 42 5.776 17.016 -3.863 1.00 0.00 C ATOM 612 CD ARG A 42 5.940 18.491 -3.488 1.00 0.00 C ATOM 613 NE ARG A 42 5.580 19.348 -4.639 1.00 0.00 N ATOM 614 CZ ARG A 42 5.496 20.685 -4.583 1.00 0.00 C ATOM 615 NH1 ARG A 42 5.745 21.324 -3.433 1.00 0.00 N ATOM 616 NH2 ARG A 42 5.162 21.381 -5.678 1.00 0.00 N ATOM 0 H ARG A 42 4.302 14.184 -1.058 1.00 0.00 H new ATOM 0 HA ARG A 42 5.130 14.424 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.865 16.459 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.127 16.675 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.756 16.544 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.313 16.936 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.307 18.730 -2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.969 18.686 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 42 5.383 18.893 -5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.999 20.794 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.681 22.341 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.972 20.894 -6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.098 22.398 -5.636 1.00 0.00 H new ATOM 630 N ILE A 43 7.571 14.544 -3.236 1.00 0.00 N ATOM 631 CA ILE A 43 8.959 14.316 -2.872 1.00 0.00 C ATOM 632 C ILE A 43 9.780 15.564 -3.203 1.00 0.00 C ATOM 633 O ILE A 43 9.655 16.123 -4.292 1.00 0.00 O ATOM 634 CB ILE A 43 9.485 13.041 -3.535 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.707 11.813 -3.056 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.991 12.888 -3.313 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.774 10.685 -4.087 1.00 0.00 C ATOM 0 H ILE A 43 7.413 14.718 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 43 9.048 14.150 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 43 9.325 13.124 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.115 11.467 -2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.667 12.085 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.339 11.974 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.511 13.745 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.198 12.836 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.213 9.825 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.343 11.026 -5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.814 10.399 -4.247 1.00 0.00 H new ATOM 649 N GLN A 44 10.602 15.964 -2.244 1.00 0.00 N ATOM 650 CA GLN A 44 11.443 17.136 -2.420 1.00 0.00 C ATOM 651 C GLN A 44 12.919 16.735 -2.414 1.00 0.00 C ATOM 652 O GLN A 44 13.244 15.549 -2.399 1.00 0.00 O ATOM 653 CB GLN A 44 11.155 18.184 -1.343 1.00 0.00 C ATOM 654 CG GLN A 44 10.035 19.130 -1.784 1.00 0.00 C ATOM 655 CD GLN A 44 10.316 20.563 -1.327 1.00 0.00 C ATOM 656 OE1 GLN A 44 11.365 21.130 -1.584 1.00 0.00 O ATOM 657 NE2 GLN A 44 9.322 21.114 -0.636 1.00 0.00 N ATOM 0 H GLN A 44 10.704 15.497 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 44 11.212 17.584 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.873 17.688 -0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.059 18.756 -1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.938 19.103 -2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.085 18.792 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.470 20.583 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.412 22.068 -0.286 1.00 0.00 H new ATOM 666 N LYS A 45 13.774 17.747 -2.425 1.00 0.00 N ATOM 667 CA LYS A 45 15.209 17.515 -2.421 1.00 0.00 C ATOM 668 C LYS A 45 15.641 17.045 -1.030 1.00 0.00 C ATOM 669 O LYS A 45 16.711 16.460 -0.874 1.00 0.00 O ATOM 670 CB LYS A 45 15.954 18.759 -2.908 1.00 0.00 C ATOM 671 CG LYS A 45 16.418 19.618 -1.729 1.00 0.00 C ATOM 672 CD LYS A 45 16.449 21.100 -2.109 1.00 0.00 C ATOM 673 CE LYS A 45 16.267 21.986 -0.875 1.00 0.00 C ATOM 674 NZ LYS A 45 16.566 23.398 -1.202 1.00 0.00 N ATOM 0 H LYS A 45 13.501 18.730 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 45 15.469 16.721 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.815 18.461 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.304 19.346 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.749 19.470 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.411 19.300 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.397 21.335 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.661 21.310 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.245 21.901 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.924 21.645 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.438 23.986 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.549 23.477 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.922 23.725 -1.950 1.00 0.00 H new ATOM 688 N HIS A 46 14.786 17.319 -0.056 1.00 0.00 N ATOM 689 CA HIS A 46 15.066 16.931 1.316 1.00 0.00 C ATOM 690 C HIS A 46 14.564 15.506 1.560 1.00 0.00 C ATOM 691 O HIS A 46 15.086 14.799 2.420 1.00 0.00 O ATOM 692 CB HIS A 46 14.475 17.944 2.299 1.00 0.00 C ATOM 693 CG HIS A 46 12.975 17.854 2.445 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.099 18.549 1.630 1.00 0.00 N ATOM 695 CD2 HIS A 46 12.206 17.143 3.320 1.00 0.00 C ATOM 696 CE1 HIS A 46 10.861 18.263 2.006 1.00 0.00 C ATOM 697 NE2 HIS A 46 10.929 17.392 3.054 1.00 0.00 N ATOM 0 H HIS A 46 13.899 17.805 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 46 16.143 16.934 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 46 14.934 17.797 3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.738 18.950 1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.574 16.489 4.097 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.957 18.651 1.561 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.131 16.997 3.551 1.00 0.00 H new ATOM 705 N ASP A 47 13.556 15.128 0.787 1.00 0.00 N ATOM 706 CA ASP A 47 12.977 13.801 0.907 1.00 0.00 C ATOM 707 C ASP A 47 13.857 12.796 0.161 1.00 0.00 C ATOM 708 O ASP A 47 13.718 11.588 0.344 1.00 0.00 O ATOM 709 CB ASP A 47 11.577 13.752 0.292 1.00 0.00 C ATOM 710 CG ASP A 47 10.584 14.765 0.866 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.957 15.956 0.924 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.473 14.324 1.233 1.00 0.00 O ATOM 0 H ASP A 47 13.126 15.718 0.075 1.00 0.00 H new ATOM 0 HA ASP A 47 12.913 13.556 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.662 13.917 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.171 12.750 0.429 1.00 0.00 H new ATOM 717 N ASP A 48 14.743 13.333 -0.665 1.00 0.00 N ATOM 718 CA ASP A 48 15.645 12.498 -1.441 1.00 0.00 C ATOM 719 C ASP A 48 16.225 11.407 -0.539 1.00 0.00 C ATOM 720 O ASP A 48 16.591 10.333 -1.014 1.00 0.00 O ATOM 721 CB ASP A 48 16.810 13.317 -2.000 1.00 0.00 C ATOM 722 CG ASP A 48 17.406 12.787 -3.305 1.00 0.00 C ATOM 723 OD1 ASP A 48 17.784 11.595 -3.313 1.00 0.00 O ATOM 724 OD2 ASP A 48 17.470 13.585 -4.265 1.00 0.00 O ATOM 0 H ASP A 48 14.856 14.336 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 48 15.079 12.066 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.470 14.340 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.599 13.359 -1.249 1.00 0.00 H new ATOM 729 N VAL A 49 16.289 11.719 0.747 1.00 0.00 N ATOM 730 CA VAL A 49 16.818 10.778 1.720 1.00 0.00 C ATOM 731 C VAL A 49 15.723 9.782 2.108 1.00 0.00 C ATOM 732 O VAL A 49 15.833 8.590 1.824 1.00 0.00 O ATOM 733 CB VAL A 49 17.391 11.533 2.921 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.077 10.574 3.896 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.352 12.634 2.468 1.00 0.00 C ATOM 0 H VAL A 49 15.983 12.610 1.138 1.00 0.00 H new ATOM 0 HA VAL A 49 17.640 10.206 1.290 1.00 0.00 H new ATOM 0 HB VAL A 49 16.561 12.007 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.475 11.137 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.354 9.842 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 49 18.891 10.059 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 49 18.745 13.155 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.176 12.190 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 49 17.821 13.342 1.832 1.00 0.00 H new ATOM 745 N ALA A 50 14.690 10.307 2.751 1.00 0.00 N ATOM 746 CA ALA A 50 13.576 9.480 3.180 1.00 0.00 C ATOM 747 C ALA A 50 13.176 8.540 2.041 1.00 0.00 C ATOM 748 O ALA A 50 12.907 7.362 2.269 1.00 0.00 O ATOM 749 CB ALA A 50 12.420 10.374 3.632 1.00 0.00 C ATOM 0 H ALA A 50 14.602 11.296 2.985 1.00 0.00 H new ATOM 0 HA ALA A 50 13.862 8.863 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.584 9.753 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.747 11.000 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.104 11.007 2.803 1.00 0.00 H new ATOM 755 N VAL A 51 13.149 9.097 0.839 1.00 0.00 N ATOM 756 CA VAL A 51 12.786 8.323 -0.336 1.00 0.00 C ATOM 757 C VAL A 51 13.693 7.095 -0.433 1.00 0.00 C ATOM 758 O VAL A 51 13.228 5.997 -0.735 1.00 0.00 O ATOM 759 CB VAL A 51 12.842 9.208 -1.583 1.00 0.00 C ATOM 760 CG1 VAL A 51 13.083 8.369 -2.840 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.569 10.045 -1.718 1.00 0.00 C ATOM 0 H VAL A 51 13.373 10.075 0.654 1.00 0.00 H new ATOM 0 HA VAL A 51 11.760 7.963 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 51 13.683 9.893 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.118 9.022 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.030 7.837 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.273 7.650 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.634 10.665 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.706 9.384 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.458 10.683 -0.841 1.00 0.00 H new ATOM 771 N GLU A 52 14.972 7.322 -0.171 1.00 0.00 N ATOM 772 CA GLU A 52 15.949 6.248 -0.226 1.00 0.00 C ATOM 773 C GLU A 52 15.717 5.261 0.920 1.00 0.00 C ATOM 774 O GLU A 52 15.722 4.049 0.711 1.00 0.00 O ATOM 775 CB GLU A 52 17.375 6.801 -0.192 1.00 0.00 C ATOM 776 CG GLU A 52 18.016 6.581 1.179 1.00 0.00 C ATOM 777 CD GLU A 52 19.441 7.139 1.215 1.00 0.00 C ATOM 778 OE1 GLU A 52 20.285 6.588 0.475 1.00 0.00 O ATOM 779 OE2 GLU A 52 19.653 8.104 1.981 1.00 0.00 O ATOM 0 H GLU A 52 15.354 8.234 0.080 1.00 0.00 H new ATOM 0 HA GLU A 52 15.823 5.717 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.976 6.315 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.361 7.866 -0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.413 7.064 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.033 5.516 1.410 1.00 0.00 H new ATOM 786 N GLN A 53 15.519 5.816 2.107 1.00 0.00 N ATOM 787 CA GLN A 53 15.285 5.000 3.286 1.00 0.00 C ATOM 788 C GLN A 53 14.191 3.968 3.008 1.00 0.00 C ATOM 789 O GLN A 53 14.366 2.782 3.286 1.00 0.00 O ATOM 790 CB GLN A 53 14.925 5.870 4.492 1.00 0.00 C ATOM 791 CG GLN A 53 16.165 6.182 5.332 1.00 0.00 C ATOM 792 CD GLN A 53 15.870 6.023 6.825 1.00 0.00 C ATOM 793 OE1 GLN A 53 15.339 5.022 7.276 1.00 0.00 O ATOM 794 NE2 GLN A 53 16.243 7.064 7.564 1.00 0.00 N ATOM 0 H GLN A 53 15.516 6.822 2.277 1.00 0.00 H new ATOM 0 HA GLN A 53 16.206 4.469 3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.469 6.799 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.184 5.358 5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.979 5.517 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.499 7.200 5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.683 7.871 7.122 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.089 7.055 8.572 1.00 0.00 H new ATOM 803 N PHE A 54 13.086 4.455 2.464 1.00 0.00 N ATOM 804 CA PHE A 54 11.963 3.590 2.146 1.00 0.00 C ATOM 805 C PHE A 54 12.308 2.646 0.992 1.00 0.00 C ATOM 806 O PHE A 54 12.336 1.429 1.168 1.00 0.00 O ATOM 807 CB PHE A 54 10.806 4.495 1.720 1.00 0.00 C ATOM 808 CG PHE A 54 9.438 3.812 1.748 1.00 0.00 C ATOM 809 CD1 PHE A 54 9.047 3.030 0.706 1.00 0.00 C ATOM 810 CD2 PHE A 54 8.612 3.987 2.814 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.777 2.395 0.732 1.00 0.00 C ATOM 812 CE2 PHE A 54 7.342 3.352 2.840 1.00 0.00 C ATOM 813 CZ PHE A 54 6.951 2.570 1.798 1.00 0.00 C ATOM 0 H PHE A 54 12.944 5.439 2.235 1.00 0.00 H new ATOM 0 HA PHE A 54 11.705 2.982 3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.779 5.366 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.997 4.861 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.702 2.892 -0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.922 4.609 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.467 1.773 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.687 3.490 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.985 2.088 1.817 1.00 0.00 H new ATOM 823 N CYS A 55 12.562 3.243 -0.163 1.00 0.00 N ATOM 824 CA CYS A 55 12.904 2.471 -1.345 1.00 0.00 C ATOM 825 C CYS A 55 13.784 1.296 -0.914 1.00 0.00 C ATOM 826 O CYS A 55 13.715 0.216 -1.499 1.00 0.00 O ATOM 827 CB CYS A 55 13.587 3.336 -2.407 1.00 0.00 C ATOM 828 SG CYS A 55 15.396 3.354 -2.131 1.00 0.00 S ATOM 0 H CYS A 55 12.538 4.253 -0.305 1.00 0.00 H new ATOM 0 HA CYS A 55 11.994 2.091 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.366 2.947 -3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.195 4.352 -2.368 1.00 0.00 H new ATOM 0 HG CYS A 55 15.640 3.530 -0.866 1.00 0.00 H new ATOM 834 N ALA A 56 14.591 1.546 0.106 1.00 0.00 N ATOM 835 CA ALA A 56 15.484 0.522 0.623 1.00 0.00 C ATOM 836 C ALA A 56 14.725 -0.353 1.622 1.00 0.00 C ATOM 837 O ALA A 56 14.501 -1.536 1.372 1.00 0.00 O ATOM 838 CB ALA A 56 16.715 1.184 1.245 1.00 0.00 C ATOM 0 H ALA A 56 14.646 2.443 0.589 1.00 0.00 H new ATOM 0 HA ALA A 56 15.834 -0.124 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.384 0.416 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.235 1.770 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.404 1.839 2.059 1.00 0.00 H new ATOM 844 N GLU A 57 14.349 0.263 2.733 1.00 0.00 N ATOM 845 CA GLU A 57 13.620 -0.445 3.771 1.00 0.00 C ATOM 846 C GLU A 57 12.542 -1.336 3.149 1.00 0.00 C ATOM 847 O GLU A 57 12.649 -2.561 3.184 1.00 0.00 O ATOM 848 CB GLU A 57 13.009 0.532 4.777 1.00 0.00 C ATOM 849 CG GLU A 57 13.866 0.626 6.041 1.00 0.00 C ATOM 850 CD GLU A 57 13.139 0.019 7.243 1.00 0.00 C ATOM 851 OE1 GLU A 57 12.239 0.708 7.769 1.00 0.00 O ATOM 852 OE2 GLU A 57 13.501 -1.121 7.608 1.00 0.00 O ATOM 0 H GLU A 57 14.536 1.245 2.937 1.00 0.00 H new ATOM 0 HA GLU A 57 14.322 -1.080 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.917 1.518 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.002 0.207 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.811 0.107 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.106 1.669 6.245 1.00 0.00 H new ATOM 859 N THR A 58 11.529 -0.687 2.595 1.00 0.00 N ATOM 860 CA THR A 58 10.434 -1.405 1.967 1.00 0.00 C ATOM 861 C THR A 58 10.950 -2.253 0.803 1.00 0.00 C ATOM 862 O THR A 58 10.661 -3.446 0.723 1.00 0.00 O ATOM 863 CB THR A 58 9.375 -0.382 1.550 1.00 0.00 C ATOM 864 OG1 THR A 58 10.091 0.848 1.476 1.00 0.00 O ATOM 865 CG2 THR A 58 8.332 -0.140 2.643 1.00 0.00 C ATOM 0 H THR A 58 11.444 0.329 2.568 1.00 0.00 H new ATOM 0 HA THR A 58 9.973 -2.108 2.661 1.00 0.00 H new ATOM 0 HB THR A 58 8.877 -0.724 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.462 1.597 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.605 0.594 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.822 -1.076 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.825 0.235 3.540 1.00 0.00 H new ATOM 873 N GLY A 59 11.707 -1.604 -0.070 1.00 0.00 N ATOM 874 CA GLY A 59 12.266 -2.284 -1.226 1.00 0.00 C ATOM 875 C GLY A 59 11.658 -1.750 -2.524 1.00 0.00 C ATOM 876 O GLY A 59 11.857 -2.328 -3.592 1.00 0.00 O ATOM 0 H GLY A 59 11.946 -0.615 0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.347 -2.148 -1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.080 -3.355 -1.147 1.00 0.00 H new ATOM 880 N VAL A 60 10.928 -0.652 -2.391 1.00 0.00 N ATOM 881 CA VAL A 60 10.289 -0.034 -3.540 1.00 0.00 C ATOM 882 C VAL A 60 11.309 0.835 -4.278 1.00 0.00 C ATOM 883 O VAL A 60 12.342 1.199 -3.717 1.00 0.00 O ATOM 884 CB VAL A 60 9.051 0.747 -3.093 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.604 0.312 -1.696 1.00 0.00 C ATOM 886 CG2 VAL A 60 9.306 2.254 -3.142 1.00 0.00 C ATOM 0 H VAL A 60 10.765 -0.175 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 60 9.942 -0.795 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 60 8.243 0.521 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.723 0.882 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.362 -0.751 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.408 0.494 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.410 2.785 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.135 2.505 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.555 2.548 -4.162 1.00 0.00 H new ATOM 896 N ARG A 61 10.984 1.143 -5.525 1.00 0.00 N ATOM 897 CA ARG A 61 11.859 1.962 -6.346 1.00 0.00 C ATOM 898 C ARG A 61 11.375 3.413 -6.354 1.00 0.00 C ATOM 899 O ARG A 61 10.178 3.671 -6.469 1.00 0.00 O ATOM 900 CB ARG A 61 11.912 1.441 -7.784 1.00 0.00 C ATOM 901 CG ARG A 61 12.103 -0.076 -7.811 1.00 0.00 C ATOM 902 CD ARG A 61 13.484 -0.445 -8.359 1.00 0.00 C ATOM 903 NE ARG A 61 13.594 -1.914 -8.506 1.00 0.00 N ATOM 904 CZ ARG A 61 14.674 -2.541 -8.992 1.00 0.00 C ATOM 905 NH1 ARG A 61 15.742 -1.832 -9.380 1.00 0.00 N ATOM 906 NH2 ARG A 61 14.685 -3.878 -9.090 1.00 0.00 N ATOM 0 H ARG A 61 10.126 0.840 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 61 12.859 1.912 -5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.991 1.704 -8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.730 1.924 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.988 -0.479 -6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.329 -0.533 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.643 0.038 -9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.261 -0.079 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 61 12.798 -2.484 -8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.733 -0.815 -9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.564 -2.309 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.871 -4.418 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.507 -4.356 -9.460 1.00 0.00 H new ATOM 920 N ARG A 62 12.330 4.323 -6.231 1.00 0.00 N ATOM 921 CA ARG A 62 12.016 5.741 -6.222 1.00 0.00 C ATOM 922 C ARG A 62 10.868 6.037 -7.189 1.00 0.00 C ATOM 923 O ARG A 62 9.818 6.530 -6.780 1.00 0.00 O ATOM 924 CB ARG A 62 13.234 6.578 -6.617 1.00 0.00 C ATOM 925 CG ARG A 62 12.937 8.074 -6.490 1.00 0.00 C ATOM 926 CD ARG A 62 12.598 8.683 -7.853 1.00 0.00 C ATOM 927 NE ARG A 62 13.843 9.026 -8.576 1.00 0.00 N ATOM 928 CZ ARG A 62 13.897 9.311 -9.885 1.00 0.00 C ATOM 929 NH1 ARG A 62 12.777 9.295 -10.620 1.00 0.00 N ATOM 930 NH2 ARG A 62 15.070 9.612 -10.457 1.00 0.00 N ATOM 0 H ARG A 62 13.322 4.105 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 62 11.719 6.008 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.081 6.317 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.521 6.347 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.105 8.226 -5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.800 8.585 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.009 7.978 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.987 9.576 -7.720 1.00 0.00 H new ATOM 0 HE ARG A 62 14.714 9.047 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.884 9.066 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.817 9.512 -11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.922 9.624 -9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.111 9.829 -11.453 1.00 0.00 H new ATOM 944 N GLN A 63 11.106 5.722 -8.454 1.00 0.00 N ATOM 945 CA GLN A 63 10.105 5.948 -9.483 1.00 0.00 C ATOM 946 C GLN A 63 8.791 5.262 -9.104 1.00 0.00 C ATOM 947 O GLN A 63 7.723 5.864 -9.200 1.00 0.00 O ATOM 948 CB GLN A 63 10.603 5.464 -10.847 1.00 0.00 C ATOM 949 CG GLN A 63 10.597 3.936 -10.923 1.00 0.00 C ATOM 950 CD GLN A 63 11.227 3.450 -12.229 1.00 0.00 C ATOM 951 OE1 GLN A 63 12.098 4.083 -12.802 1.00 0.00 O ATOM 952 NE2 GLN A 63 10.739 2.292 -12.667 1.00 0.00 N ATOM 0 H GLN A 63 11.978 5.312 -8.790 1.00 0.00 H new ATOM 0 HA GLN A 63 9.924 7.020 -9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.971 5.873 -11.635 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.612 5.836 -11.023 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.145 3.524 -10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.573 3.569 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.010 1.813 -12.138 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.094 1.883 -13.531 1.00 0.00 H new ATOM 961 N VAL A 64 8.913 4.012 -8.682 1.00 0.00 N ATOM 962 CA VAL A 64 7.748 3.238 -8.288 1.00 0.00 C ATOM 963 C VAL A 64 6.980 3.997 -7.204 1.00 0.00 C ATOM 964 O VAL A 64 5.767 4.171 -7.304 1.00 0.00 O ATOM 965 CB VAL A 64 8.175 1.836 -7.849 1.00 0.00 C ATOM 966 CG1 VAL A 64 6.983 1.046 -7.304 1.00 0.00 C ATOM 967 CG2 VAL A 64 8.852 1.085 -8.997 1.00 0.00 C ATOM 0 H VAL A 64 9.801 3.516 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 64 7.072 3.107 -9.133 1.00 0.00 H new ATOM 0 HB VAL A 64 8.902 1.943 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.313 0.053 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.563 1.568 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.223 0.953 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.146 0.091 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.157 0.993 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.736 1.634 -9.320 1.00 0.00 H new ATOM 977 N LEU A 65 7.719 4.426 -6.191 1.00 0.00 N ATOM 978 CA LEU A 65 7.123 5.162 -5.089 1.00 0.00 C ATOM 979 C LEU A 65 6.507 6.458 -5.620 1.00 0.00 C ATOM 980 O LEU A 65 5.316 6.705 -5.434 1.00 0.00 O ATOM 981 CB LEU A 65 8.147 5.380 -3.974 1.00 0.00 C ATOM 982 CG LEU A 65 7.689 6.250 -2.802 1.00 0.00 C ATOM 983 CD1 LEU A 65 6.352 5.758 -2.244 1.00 0.00 C ATOM 984 CD2 LEU A 65 8.769 6.328 -1.721 1.00 0.00 C ATOM 0 H LEU A 65 8.725 4.278 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 65 6.315 4.585 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.442 4.406 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.038 5.832 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 65 7.530 7.264 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.049 6.394 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.594 5.799 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.459 4.731 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.417 6.952 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.984 5.326 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.676 6.761 -2.143 1.00 0.00 H new ATOM 996 N LYS A 66 7.346 7.251 -6.271 1.00 0.00 N ATOM 997 CA LYS A 66 6.899 8.515 -6.830 1.00 0.00 C ATOM 998 C LYS A 66 5.692 8.268 -7.737 1.00 0.00 C ATOM 999 O LYS A 66 4.646 8.894 -7.569 1.00 0.00 O ATOM 1000 CB LYS A 66 8.056 9.232 -7.528 1.00 0.00 C ATOM 1001 CG LYS A 66 7.625 10.611 -8.030 1.00 0.00 C ATOM 1002 CD LYS A 66 7.903 10.761 -9.527 1.00 0.00 C ATOM 1003 CE LYS A 66 9.385 11.038 -9.785 1.00 0.00 C ATOM 1004 NZ LYS A 66 9.546 12.008 -10.891 1.00 0.00 N ATOM 0 H LYS A 66 8.333 7.042 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 66 6.571 9.187 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.892 9.338 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.409 8.630 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.562 10.756 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.157 11.386 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.603 9.852 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.301 11.575 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.851 11.428 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.897 10.108 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.558 12.185 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.119 11.621 -11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.074 12.901 -10.641 1.00 0.00 H new ATOM 1018 N ILE A 67 5.877 7.355 -8.679 1.00 0.00 N ATOM 1019 CA ILE A 67 4.816 7.018 -9.613 1.00 0.00 C ATOM 1020 C ILE A 67 3.602 6.504 -8.836 1.00 0.00 C ATOM 1021 O ILE A 67 2.462 6.771 -9.212 1.00 0.00 O ATOM 1022 CB ILE A 67 5.326 6.040 -10.673 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.497 6.640 -11.454 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.192 5.591 -11.596 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.322 5.545 -12.134 1.00 0.00 C ATOM 0 H ILE A 67 6.746 6.838 -8.816 1.00 0.00 H new ATOM 0 HA ILE A 67 4.494 7.905 -10.159 1.00 0.00 H new ATOM 0 HB ILE A 67 5.699 5.150 -10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.120 7.335 -12.204 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.133 7.213 -10.779 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.582 4.896 -12.340 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.419 5.097 -11.008 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.766 6.460 -12.098 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.148 5.999 -12.682 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.718 4.866 -11.379 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.689 4.989 -12.826 1.00 0.00 H new ATOM 1037 N TRP A 68 3.889 5.776 -7.767 1.00 0.00 N ATOM 1038 CA TRP A 68 2.836 5.222 -6.933 1.00 0.00 C ATOM 1039 C TRP A 68 2.019 6.386 -6.368 1.00 0.00 C ATOM 1040 O TRP A 68 0.791 6.371 -6.420 1.00 0.00 O ATOM 1041 CB TRP A 68 3.416 4.315 -5.846 1.00 0.00 C ATOM 1042 CG TRP A 68 2.365 3.711 -4.913 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.769 2.514 -5.006 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.805 4.328 -3.734 1.00 0.00 C ATOM 1045 NE1 TRP A 68 0.871 2.316 -3.978 1.00 0.00 N ATOM 1046 CE2 TRP A 68 0.893 3.454 -3.180 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.061 5.584 -3.156 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.164 3.740 -2.020 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.325 5.855 -1.997 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.403 4.986 -1.426 1.00 0.00 C ATOM 0 H TRP A 68 4.836 5.557 -7.459 1.00 0.00 H new ATOM 0 HA TRP A 68 2.175 4.585 -7.520 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.973 3.507 -6.320 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.128 4.887 -5.252 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.967 1.795 -5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.296 1.486 -3.830 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.770 6.284 -3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.544 3.038 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.485 6.807 -1.512 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.127 5.270 -0.529 1.00 0.00 H new ATOM 1061 N MET A 69 2.736 7.368 -5.840 1.00 0.00 N ATOM 1062 CA MET A 69 2.093 8.538 -5.265 1.00 0.00 C ATOM 1063 C MET A 69 1.186 9.223 -6.288 1.00 0.00 C ATOM 1064 O MET A 69 0.028 9.520 -5.997 1.00 0.00 O ATOM 1065 CB MET A 69 3.160 9.524 -4.787 1.00 0.00 C ATOM 1066 CG MET A 69 3.775 9.067 -3.462 1.00 0.00 C ATOM 1067 SD MET A 69 5.536 8.843 -3.651 1.00 0.00 S ATOM 1068 CE MET A 69 6.129 10.022 -2.449 1.00 0.00 C ATOM 0 H MET A 69 3.755 7.377 -5.798 1.00 0.00 H new ATOM 0 HA MET A 69 1.481 8.216 -4.423 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.941 9.615 -5.542 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.718 10.513 -4.665 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.575 9.805 -2.685 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.314 8.133 -3.140 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.129 9.737 -2.122 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.164 11.014 -2.899 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.457 10.036 -1.591 1.00 0.00 H new ATOM 1078 N HIS A 70 1.746 9.456 -7.466 1.00 0.00 N ATOM 1079 CA HIS A 70 1.002 10.101 -8.535 1.00 0.00 C ATOM 1080 C HIS A 70 -0.190 9.227 -8.931 1.00 0.00 C ATOM 1081 O HIS A 70 -1.177 9.725 -9.469 1.00 0.00 O ATOM 1082 CB HIS A 70 1.919 10.425 -9.716 1.00 0.00 C ATOM 1083 CG HIS A 70 1.217 11.097 -10.872 1.00 0.00 C ATOM 1084 ND1 HIS A 70 0.343 10.601 -11.795 1.00 0.00 N flip ATOM 1085 CD2 HIS A 70 1.386 12.437 -11.175 1.00 0.00 C flip ATOM 1086 CE1 HIS A 70 -0.003 11.584 -12.616 1.00 0.00 C flip ATOM 1087 NE2 HIS A 70 0.642 12.723 -12.234 1.00 0.00 N flip ATOM 0 H HIS A 70 2.707 9.210 -7.704 1.00 0.00 H new ATOM 0 HA HIS A 70 0.607 11.055 -8.184 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.726 11.070 -9.370 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.378 9.502 -10.070 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.017 13.131 -10.640 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.684 11.496 -13.450 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.565 13.635 -12.684 1.00 0.00 H new ATOM 1095 N ASN A 71 -0.058 7.940 -8.648 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.112 6.992 -8.968 1.00 0.00 C ATOM 1097 C ASN A 71 -2.038 6.838 -7.760 1.00 0.00 C ATOM 1098 O ASN A 71 -2.673 5.799 -7.589 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.532 5.615 -9.298 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.517 5.374 -10.809 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -1.538 5.157 -11.439 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.696 5.423 -11.352 1.00 0.00 N ATOM 0 H ASN A 71 0.762 7.531 -8.201 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.656 7.371 -9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.482 5.539 -8.904 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.123 4.841 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.812 5.274 -12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.510 5.610 -10.766 1.00 0.00 H new ATOM 1109 N ASN A 72 -2.084 7.888 -6.953 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.922 7.883 -5.766 1.00 0.00 C ATOM 1111 C ASN A 72 -3.537 9.271 -5.575 1.00 0.00 C ATOM 1112 O ASN A 72 -4.752 9.434 -5.677 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.104 7.553 -4.516 1.00 0.00 C ATOM 1114 CG ASN A 72 -1.994 6.040 -4.317 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.915 5.378 -3.867 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.819 5.531 -4.675 1.00 0.00 N ATOM 0 H ASN A 72 -1.555 8.748 -7.098 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.695 7.126 -5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.107 7.985 -4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.571 8.006 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.646 4.530 -4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.090 6.141 -5.045 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.671 10.235 -5.301 1.00 0.00 N ATOM 1124 CA LYS A 73 -3.113 11.603 -5.095 1.00 0.00 C ATOM 1125 C LYS A 73 -4.140 11.970 -6.169 1.00 0.00 C ATOM 1126 O LYS A 73 -5.130 12.641 -5.883 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.915 12.552 -5.041 1.00 0.00 C ATOM 1128 CG LYS A 73 -1.245 12.669 -6.412 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.227 13.811 -6.429 1.00 0.00 C ATOM 1130 CE LYS A 73 1.202 13.272 -6.326 1.00 0.00 C ATOM 1131 NZ LYS A 73 2.117 14.065 -7.176 1.00 0.00 N ATOM 0 H LYS A 73 -1.664 10.095 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.611 11.700 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.242 13.537 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.193 12.190 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.748 11.731 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.002 12.840 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.337 14.388 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.424 14.491 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.537 13.308 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.226 12.226 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.082 13.686 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.806 14.010 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.107 15.057 -6.865 1.00 0.00 H new ATOM 1145 N ASN A 74 -3.868 11.512 -7.383 1.00 0.00 N ATOM 1146 CA ASN A 74 -4.755 11.784 -8.501 1.00 0.00 C ATOM 1147 C ASN A 74 -6.021 10.936 -8.359 1.00 0.00 C ATOM 1148 O ASN A 74 -5.990 9.726 -8.575 1.00 0.00 O ATOM 1149 CB ASN A 74 -4.091 11.423 -9.831 1.00 0.00 C ATOM 1150 CG ASN A 74 -3.212 12.569 -10.334 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -3.639 13.428 -11.089 1.00 0.00 O ATOM 1152 ND2 ASN A 74 -1.964 12.536 -9.876 1.00 0.00 N ATOM 0 H ASN A 74 -3.046 10.955 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.992 12.848 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.487 10.524 -9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.856 11.194 -10.573 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.299 13.258 -10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.671 11.789 -9.247 1.00 0.00 H new ATOM 1159 N SER A 75 -7.105 11.606 -7.997 1.00 0.00 N ATOM 1160 CA SER A 75 -8.380 10.930 -7.824 1.00 0.00 C ATOM 1161 C SER A 75 -9.467 11.945 -7.467 1.00 0.00 C ATOM 1162 O SER A 75 -9.235 13.152 -7.519 1.00 0.00 O ATOM 1163 CB SER A 75 -8.288 9.850 -6.744 1.00 0.00 C ATOM 1164 OG SER A 75 -8.277 8.538 -7.301 1.00 0.00 O ATOM 0 H SER A 75 -7.127 12.610 -7.819 1.00 0.00 H new ATOM 0 HA SER A 75 -8.640 10.445 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.383 10.002 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.132 9.947 -6.061 1.00 0.00 H new ATOM 0 HG SER A 75 -7.515 8.448 -7.910 1.00 0.00 H new ATOM 1170 N GLY A 76 -10.630 11.419 -7.113 1.00 0.00 N ATOM 1171 CA GLY A 76 -11.754 12.265 -6.748 1.00 0.00 C ATOM 1172 C GLY A 76 -13.021 11.848 -7.498 1.00 0.00 C ATOM 1173 O GLY A 76 -12.943 11.221 -8.554 1.00 0.00 O ATOM 0 H GLY A 76 -10.819 10.417 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.926 12.203 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.519 13.305 -6.974 1.00 0.00 H new ATOM 1177 N PRO A 77 -14.187 12.222 -6.909 1.00 0.00 N ATOM 1178 CA PRO A 77 -15.469 11.894 -7.510 1.00 0.00 C ATOM 1179 C PRO A 77 -15.753 12.788 -8.718 1.00 0.00 C ATOM 1180 O PRO A 77 -16.638 13.640 -8.670 1.00 0.00 O ATOM 1181 CB PRO A 77 -16.484 12.067 -6.392 1.00 0.00 C ATOM 1182 CG PRO A 77 -15.803 12.929 -5.341 1.00 0.00 C ATOM 1183 CD PRO A 77 -14.317 12.965 -5.659 1.00 0.00 C ATOM 0 HA PRO A 77 -15.500 10.879 -7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.393 12.544 -6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.776 11.102 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.219 13.937 -5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.970 12.520 -4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -13.960 13.989 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.731 12.506 -4.863 1.00 0.00 H new ATOM 1191 N SER A 78 -14.985 12.562 -9.774 1.00 0.00 N ATOM 1192 CA SER A 78 -15.142 13.337 -10.993 1.00 0.00 C ATOM 1193 C SER A 78 -16.488 13.016 -11.647 1.00 0.00 C ATOM 1194 O SER A 78 -17.313 13.906 -11.846 1.00 0.00 O ATOM 1195 CB SER A 78 -13.999 13.063 -11.972 1.00 0.00 C ATOM 1196 OG SER A 78 -13.011 14.090 -11.939 1.00 0.00 O ATOM 0 H SER A 78 -14.252 11.853 -9.811 1.00 0.00 H new ATOM 0 HA SER A 78 -15.114 14.395 -10.731 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.536 12.106 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.399 12.977 -12.982 1.00 0.00 H new ATOM 0 HG SER A 78 -12.297 13.878 -12.576 1.00 0.00 H new ATOM 1202 N SER A 79 -16.668 11.742 -11.962 1.00 0.00 N ATOM 1203 CA SER A 79 -17.899 11.292 -12.588 1.00 0.00 C ATOM 1204 C SER A 79 -17.919 9.764 -12.666 1.00 0.00 C ATOM 1205 O SER A 79 -16.887 9.137 -12.901 1.00 0.00 O ATOM 1206 CB SER A 79 -18.059 11.897 -13.985 1.00 0.00 C ATOM 1207 OG SER A 79 -19.301 11.536 -14.584 1.00 0.00 O ATOM 0 H SER A 79 -15.981 11.007 -11.795 1.00 0.00 H new ATOM 0 HA SER A 79 -18.736 11.629 -11.977 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.990 12.983 -13.920 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.239 11.563 -14.621 1.00 0.00 H new ATOM 0 HG SER A 79 -19.366 11.943 -15.473 1.00 0.00 H new ATOM 1213 N GLY A 80 -19.105 9.209 -12.464 1.00 0.00 N ATOM 1214 CA GLY A 80 -19.273 7.766 -12.508 1.00 0.00 C ATOM 1215 C GLY A 80 -20.084 7.346 -13.736 1.00 0.00 C ATOM 1216 O GLY A 80 -20.158 8.084 -14.717 1.00 0.00 O ATOM 0 H GLY A 80 -19.959 9.732 -12.269 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.296 7.283 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -19.776 7.427 -11.602 1.00 0.00 H new TER 1220 GLY A 80