USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 872 hydrogens (12 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 59 LYS NZ :NH3+ -121:sc= 0.111 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.171 USER MOD Set 2.1: A 43 TYR OH : rot -120:sc= 0.053 USER MOD Set 2.2: A 64 MET CE :methyl -147:sc= -0.0221 (180deg=-1.51!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 3 SER OG : rot 22:sc= 0.763 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00553 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 150:sc= -0.0666 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.00767 X(o=0.0077,f=-0.0081) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -71:sc= 0.608 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 1.09 (180deg=1.08) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 71 TYR OH : rot -174:sc= 0.478 USER MOD Single : A 77 ASN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : A 78 MET CE :methyl 166:sc= -0.153 (180deg=-0.59) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.492 F(o=-1!,f=-0.49) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0618 K(o=-0.062,f=-2.5!) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 1.02 (180deg=0.585) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.801) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ATP O2' : rot 180:sc= 0 USER MOD Single : A 201 ATP O3' : rot 128:sc= 0.0603 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 28.134 5.091 -13.372 1.00 0.00 N ATOM 2 CA PRO A 1 26.945 5.374 -14.206 1.00 0.00 C ATOM 3 C PRO A 1 26.131 4.117 -14.564 1.00 0.00 C ATOM 4 O PRO A 1 26.629 2.996 -14.446 1.00 0.00 O ATOM 5 CB PRO A 1 27.464 6.129 -15.439 1.00 0.00 C ATOM 6 CG PRO A 1 28.757 6.807 -14.956 1.00 0.00 C ATOM 7 CD PRO A 1 28.922 6.332 -13.509 1.00 0.00 C ATOM 0 H2 PRO A 1 28.648 4.276 -13.707 1.00 0.00 H new ATOM 0 H3 PRO A 1 27.882 4.906 -12.401 1.00 0.00 H new ATOM 0 HA PRO A 1 26.227 5.979 -13.653 1.00 0.00 H new ATOM 0 HB2 PRO A 1 27.658 5.449 -16.269 1.00 0.00 H new ATOM 0 HB3 PRO A 1 26.738 6.862 -15.791 1.00 0.00 H new ATOM 0 HG2 PRO A 1 29.610 6.516 -15.569 1.00 0.00 H new ATOM 0 HG3 PRO A 1 28.680 7.893 -15.011 1.00 0.00 H new ATOM 0 HD2 PRO A 1 29.972 6.150 -13.280 1.00 0.00 H new ATOM 0 HD3 PRO A 1 28.570 7.092 -12.811 1.00 0.00 H new ATOM 15 N SER A 2 24.887 4.298 -15.014 1.00 0.00 N ATOM 16 CA SER A 2 23.954 3.225 -15.406 1.00 0.00 C ATOM 17 C SER A 2 22.779 3.793 -16.238 1.00 0.00 C ATOM 18 O SER A 2 22.690 5.003 -16.460 1.00 0.00 O ATOM 19 CB SER A 2 23.447 2.477 -14.158 1.00 0.00 C ATOM 20 OG SER A 2 22.809 1.255 -14.510 1.00 0.00 O ATOM 0 H SER A 2 24.482 5.228 -15.121 1.00 0.00 H new ATOM 0 HA SER A 2 24.487 2.513 -16.036 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.283 2.273 -13.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.748 3.110 -13.611 1.00 0.00 H new ATOM 0 HG SER A 2 22.499 0.802 -13.698 1.00 0.00 H new ATOM 26 N SER A 3 21.873 2.934 -16.709 1.00 0.00 N ATOM 27 CA SER A 3 20.695 3.262 -17.535 1.00 0.00 C ATOM 28 C SER A 3 19.678 2.104 -17.539 1.00 0.00 C ATOM 29 O SER A 3 20.055 0.930 -17.467 1.00 0.00 O ATOM 30 CB SER A 3 21.111 3.576 -18.986 1.00 0.00 C ATOM 31 OG SER A 3 21.695 4.865 -19.114 1.00 0.00 O ATOM 0 H SER A 3 21.939 1.934 -16.517 1.00 0.00 H new ATOM 0 HA SER A 3 20.228 4.143 -17.096 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.820 2.823 -19.329 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.237 3.510 -19.634 1.00 0.00 H new ATOM 0 HG SER A 3 22.030 5.161 -18.242 1.00 0.00 H new ATOM 37 N GLY A 4 18.381 2.434 -17.637 1.00 0.00 N ATOM 38 CA GLY A 4 17.266 1.477 -17.605 1.00 0.00 C ATOM 39 C GLY A 4 16.792 1.134 -16.188 1.00 0.00 C ATOM 40 O GLY A 4 17.473 1.408 -15.197 1.00 0.00 O ATOM 0 H GLY A 4 18.071 3.400 -17.744 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.429 1.888 -18.170 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.571 0.560 -18.109 1.00 0.00 H new ATOM 44 N SER A 5 15.617 0.516 -16.092 1.00 0.00 N ATOM 45 CA SER A 5 14.934 0.177 -14.831 1.00 0.00 C ATOM 46 C SER A 5 13.749 -0.783 -15.055 1.00 0.00 C ATOM 47 O SER A 5 13.170 -0.836 -16.143 1.00 0.00 O ATOM 48 CB SER A 5 14.454 1.454 -14.106 1.00 0.00 C ATOM 49 OG SER A 5 13.632 2.293 -14.917 1.00 0.00 O ATOM 0 H SER A 5 15.090 0.224 -16.915 1.00 0.00 H new ATOM 0 HA SER A 5 15.662 -0.336 -14.202 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.899 1.168 -13.213 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.323 2.022 -13.773 1.00 0.00 H new ATOM 0 HG SER A 5 13.360 3.081 -14.402 1.00 0.00 H new ATOM 55 N SER A 6 13.358 -1.539 -14.025 1.00 0.00 N ATOM 56 CA SER A 6 12.177 -2.426 -14.046 1.00 0.00 C ATOM 57 C SER A 6 10.857 -1.711 -13.682 1.00 0.00 C ATOM 58 O SER A 6 9.773 -2.244 -13.938 1.00 0.00 O ATOM 59 CB SER A 6 12.424 -3.610 -13.098 1.00 0.00 C ATOM 60 OG SER A 6 12.784 -3.164 -11.790 1.00 0.00 O ATOM 0 H SER A 6 13.857 -1.557 -13.136 1.00 0.00 H new ATOM 0 HA SER A 6 12.052 -2.773 -15.072 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.526 -4.225 -13.040 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.217 -4.241 -13.500 1.00 0.00 H new ATOM 0 HG SER A 6 12.933 -3.939 -11.209 1.00 0.00 H new ATOM 66 N GLY A 7 10.937 -0.497 -13.116 1.00 0.00 N ATOM 67 CA GLY A 7 9.801 0.390 -12.827 1.00 0.00 C ATOM 68 C GLY A 7 9.500 1.373 -13.965 1.00 0.00 C ATOM 69 O GLY A 7 10.246 1.465 -14.945 1.00 0.00 O ATOM 0 H GLY A 7 11.830 -0.091 -12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.915 -0.215 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.008 0.951 -11.916 1.00 0.00 H new ATOM 73 N PHE A 8 8.407 2.127 -13.813 1.00 0.00 N ATOM 74 CA PHE A 8 7.855 3.041 -14.810 1.00 0.00 C ATOM 75 C PHE A 8 7.510 4.414 -14.204 1.00 0.00 C ATOM 76 O PHE A 8 7.288 4.542 -12.995 1.00 0.00 O ATOM 77 CB PHE A 8 6.609 2.378 -15.415 1.00 0.00 C ATOM 78 CG PHE A 8 6.895 1.119 -16.213 1.00 0.00 C ATOM 79 CD1 PHE A 8 7.337 1.215 -17.547 1.00 0.00 C ATOM 80 CD2 PHE A 8 6.738 -0.151 -15.622 1.00 0.00 C ATOM 81 CE1 PHE A 8 7.619 0.051 -18.284 1.00 0.00 C ATOM 82 CE2 PHE A 8 7.022 -1.314 -16.359 1.00 0.00 C ATOM 83 CZ PHE A 8 7.462 -1.215 -17.689 1.00 0.00 C ATOM 0 H PHE A 8 7.860 2.114 -12.952 1.00 0.00 H new ATOM 0 HA PHE A 8 8.600 3.229 -15.583 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.915 2.134 -14.611 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.107 3.098 -16.062 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.460 2.185 -18.005 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.398 -0.231 -14.600 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.956 0.128 -19.307 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.902 -2.285 -15.902 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.680 -2.109 -18.255 1.00 0.00 H new ATOM 93 N LEU A 9 7.454 5.440 -15.060 1.00 0.00 N ATOM 94 CA LEU A 9 7.180 6.838 -14.702 1.00 0.00 C ATOM 95 C LEU A 9 5.709 7.207 -14.977 1.00 0.00 C ATOM 96 O LEU A 9 5.078 6.660 -15.885 1.00 0.00 O ATOM 97 CB LEU A 9 8.171 7.723 -15.492 1.00 0.00 C ATOM 98 CG LEU A 9 8.188 9.219 -15.118 1.00 0.00 C ATOM 99 CD1 LEU A 9 8.618 9.450 -13.661 1.00 0.00 C ATOM 100 CD2 LEU A 9 9.151 9.966 -16.054 1.00 0.00 C ATOM 0 H LEU A 9 7.604 5.315 -16.061 1.00 0.00 H new ATOM 0 HA LEU A 9 7.325 6.998 -13.634 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.175 7.323 -15.353 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.938 7.637 -16.553 1.00 0.00 H new ATOM 0 HG LEU A 9 7.172 9.598 -15.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.614 10.519 -13.446 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.923 8.943 -12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.622 9.053 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.165 11.024 -15.792 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.154 9.553 -15.949 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.818 9.852 -17.085 1.00 0.00 H new ATOM 112 N ASP A 10 5.164 8.143 -14.197 1.00 0.00 N ATOM 113 CA ASP A 10 3.814 8.695 -14.373 1.00 0.00 C ATOM 114 C ASP A 10 3.661 9.541 -15.658 1.00 0.00 C ATOM 115 O ASP A 10 4.644 10.020 -16.231 1.00 0.00 O ATOM 116 CB ASP A 10 3.416 9.498 -13.124 1.00 0.00 C ATOM 117 CG ASP A 10 4.237 10.787 -12.949 1.00 0.00 C ATOM 118 OD1 ASP A 10 5.372 10.704 -12.422 1.00 0.00 O ATOM 119 OD2 ASP A 10 3.734 11.876 -13.316 1.00 0.00 O ATOM 0 H ASP A 10 5.660 8.550 -13.404 1.00 0.00 H new ATOM 0 HA ASP A 10 3.133 7.853 -14.496 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.358 9.754 -13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.542 8.871 -12.241 1.00 0.00 H new ATOM 124 N LYS A 11 2.414 9.733 -16.102 1.00 0.00 N ATOM 125 CA LYS A 11 2.051 10.374 -17.370 1.00 0.00 C ATOM 126 C LYS A 11 0.992 11.494 -17.210 1.00 0.00 C ATOM 127 O LYS A 11 0.256 11.509 -16.212 1.00 0.00 O ATOM 128 CB LYS A 11 1.588 9.267 -18.345 1.00 0.00 C ATOM 129 CG LYS A 11 2.780 8.526 -18.987 1.00 0.00 C ATOM 130 CD LYS A 11 2.686 8.466 -20.517 1.00 0.00 C ATOM 131 CE LYS A 11 1.488 7.625 -20.983 1.00 0.00 C ATOM 132 NZ LYS A 11 1.421 7.535 -22.467 1.00 0.00 N ATOM 0 H LYS A 11 1.599 9.434 -15.567 1.00 0.00 H new ATOM 0 HA LYS A 11 2.926 10.886 -17.771 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.962 8.552 -17.811 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.971 9.708 -19.128 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.707 9.024 -18.703 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.828 7.512 -18.590 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.597 9.477 -20.916 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.606 8.043 -20.921 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.561 6.623 -20.561 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.566 8.064 -20.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.600 6.960 -22.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.326 8.490 -22.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.290 7.093 -22.828 1.00 0.00 H new ATOM 146 N PRO A 12 0.916 12.436 -18.178 1.00 0.00 N ATOM 147 CA PRO A 12 0.017 13.589 -18.148 1.00 0.00 C ATOM 148 C PRO A 12 -1.437 13.211 -18.476 1.00 0.00 C ATOM 149 O PRO A 12 -1.768 12.040 -18.680 1.00 0.00 O ATOM 150 CB PRO A 12 0.607 14.570 -19.171 1.00 0.00 C ATOM 151 CG PRO A 12 1.229 13.650 -20.220 1.00 0.00 C ATOM 152 CD PRO A 12 1.733 12.471 -19.389 1.00 0.00 C ATOM 0 HA PRO A 12 -0.042 14.027 -17.151 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.161 15.211 -19.603 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.351 15.225 -18.718 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.498 13.335 -20.965 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.040 14.141 -20.757 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.642 11.538 -19.945 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.788 12.594 -19.142 1.00 0.00 H new ATOM 160 N THR A 13 -2.298 14.233 -18.545 1.00 0.00 N ATOM 161 CA THR A 13 -3.732 14.136 -18.835 1.00 0.00 C ATOM 162 C THR A 13 -4.238 15.363 -19.584 1.00 0.00 C ATOM 163 O THR A 13 -3.591 16.413 -19.611 1.00 0.00 O ATOM 164 CB THR A 13 -4.530 13.863 -17.551 1.00 0.00 C ATOM 165 OG1 THR A 13 -5.868 13.578 -17.895 1.00 0.00 O ATOM 166 CG2 THR A 13 -4.511 15.050 -16.587 1.00 0.00 C ATOM 0 H THR A 13 -1.999 15.196 -18.393 1.00 0.00 H new ATOM 0 HA THR A 13 -3.887 13.286 -19.499 1.00 0.00 H new ATOM 0 HB THR A 13 -4.062 13.018 -17.046 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.253 12.967 -17.233 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.089 14.805 -15.696 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.482 15.271 -16.302 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.948 15.922 -17.074 1.00 0.00 H new ATOM 174 N LEU A 14 -5.406 15.200 -20.204 1.00 0.00 N ATOM 175 CA LEU A 14 -6.086 16.194 -21.036 1.00 0.00 C ATOM 176 C LEU A 14 -7.310 16.797 -20.318 1.00 0.00 C ATOM 177 O LEU A 14 -7.972 17.681 -20.867 1.00 0.00 O ATOM 178 CB LEU A 14 -6.479 15.521 -22.368 1.00 0.00 C ATOM 179 CG LEU A 14 -5.297 14.819 -23.085 1.00 0.00 C ATOM 180 CD1 LEU A 14 -5.534 13.304 -23.161 1.00 0.00 C ATOM 181 CD2 LEU A 14 -5.090 15.393 -24.492 1.00 0.00 C ATOM 0 H LEU A 14 -5.931 14.328 -20.137 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.413 17.028 -21.233 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.263 14.788 -22.177 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.901 16.273 -23.034 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.394 15.003 -22.502 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.694 12.829 -23.668 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.626 12.899 -22.153 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.451 13.107 -23.716 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.255 14.884 -24.974 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.994 15.245 -25.082 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.873 16.459 -24.422 1.00 0.00 H new ATOM 193 N LEU A 15 -7.616 16.316 -19.106 1.00 0.00 N ATOM 194 CA LEU A 15 -8.771 16.733 -18.304 1.00 0.00 C ATOM 195 C LEU A 15 -8.467 17.961 -17.431 1.00 0.00 C ATOM 196 O LEU A 15 -7.366 18.514 -17.419 1.00 0.00 O ATOM 197 CB LEU A 15 -9.275 15.557 -17.434 1.00 0.00 C ATOM 198 CG LEU A 15 -9.502 14.216 -18.164 1.00 0.00 C ATOM 199 CD1 LEU A 15 -10.059 13.185 -17.174 1.00 0.00 C ATOM 200 CD2 LEU A 15 -10.456 14.353 -19.360 1.00 0.00 C ATOM 0 H LEU A 15 -7.049 15.605 -18.644 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.557 17.026 -19.000 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.556 15.392 -16.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.213 15.855 -16.966 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.539 13.887 -18.555 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.220 12.237 -17.688 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.348 13.041 -16.361 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.005 13.544 -16.769 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.582 13.382 -19.838 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.424 14.715 -19.014 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.040 15.060 -20.078 1.00 0.00 H new ATOM 212 N SER A 16 -9.472 18.361 -16.662 1.00 0.00 N ATOM 213 CA SER A 16 -9.433 19.436 -15.681 1.00 0.00 C ATOM 214 C SER A 16 -9.120 18.906 -14.272 1.00 0.00 C ATOM 215 O SER A 16 -9.416 17.742 -13.973 1.00 0.00 O ATOM 216 CB SER A 16 -10.808 20.111 -15.691 1.00 0.00 C ATOM 217 OG SER A 16 -10.932 21.019 -16.777 1.00 0.00 O ATOM 0 H SER A 16 -10.389 17.917 -16.710 1.00 0.00 H new ATOM 0 HA SER A 16 -8.643 20.140 -15.940 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.587 19.352 -15.759 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.961 20.642 -14.751 1.00 0.00 H new ATOM 0 HG SER A 16 -11.820 21.433 -16.758 1.00 0.00 H new ATOM 223 N PRO A 17 -8.608 19.764 -13.367 1.00 0.00 N ATOM 224 CA PRO A 17 -8.322 19.405 -11.979 1.00 0.00 C ATOM 225 C PRO A 17 -9.570 18.942 -11.216 1.00 0.00 C ATOM 226 O PRO A 17 -9.454 18.146 -10.290 1.00 0.00 O ATOM 227 CB PRO A 17 -7.691 20.656 -11.356 1.00 0.00 C ATOM 228 CG PRO A 17 -8.253 21.802 -12.197 1.00 0.00 C ATOM 229 CD PRO A 17 -8.372 21.183 -13.586 1.00 0.00 C ATOM 0 HA PRO A 17 -7.649 18.549 -11.927 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.962 20.760 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.603 20.621 -11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.219 22.141 -11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.589 22.666 -12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.191 21.634 -14.147 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.463 21.344 -14.165 1.00 0.00 H new ATOM 237 N GLU A 18 -10.762 19.378 -11.639 1.00 0.00 N ATOM 238 CA GLU A 18 -12.045 18.983 -11.048 1.00 0.00 C ATOM 239 C GLU A 18 -12.474 17.565 -11.471 1.00 0.00 C ATOM 240 O GLU A 18 -13.074 16.842 -10.678 1.00 0.00 O ATOM 241 CB GLU A 18 -13.139 19.989 -11.458 1.00 0.00 C ATOM 242 CG GLU A 18 -12.816 21.458 -11.139 1.00 0.00 C ATOM 243 CD GLU A 18 -12.619 21.710 -9.636 1.00 0.00 C ATOM 244 OE1 GLU A 18 -13.600 21.586 -8.864 1.00 0.00 O ATOM 245 OE2 GLU A 18 -11.490 22.062 -9.218 1.00 0.00 O ATOM 0 H GLU A 18 -10.863 20.029 -12.418 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.915 18.981 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.316 19.895 -12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.068 19.719 -10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.913 21.751 -11.674 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.624 22.091 -11.506 1.00 0.00 H new ATOM 252 N GLU A 19 -12.144 17.148 -12.698 1.00 0.00 N ATOM 253 CA GLU A 19 -12.518 15.846 -13.271 1.00 0.00 C ATOM 254 C GLU A 19 -11.776 14.697 -12.584 1.00 0.00 C ATOM 255 O GLU A 19 -12.368 13.701 -12.170 1.00 0.00 O ATOM 256 CB GLU A 19 -12.151 15.824 -14.762 1.00 0.00 C ATOM 257 CG GLU A 19 -13.127 16.570 -15.671 1.00 0.00 C ATOM 258 CD GLU A 19 -14.517 15.914 -15.714 1.00 0.00 C ATOM 259 OE1 GLU A 19 -14.665 14.840 -16.343 1.00 0.00 O ATOM 260 OE2 GLU A 19 -15.475 16.479 -15.133 1.00 0.00 O ATOM 0 H GLU A 19 -11.595 17.721 -13.339 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.590 15.714 -13.126 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.158 16.257 -14.884 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.089 14.787 -15.092 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.226 17.599 -15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.718 16.611 -16.680 1.00 0.00 H new ATOM 267 N LEU A 20 -10.459 14.857 -12.460 1.00 0.00 N ATOM 268 CA LEU A 20 -9.532 13.888 -11.869 1.00 0.00 C ATOM 269 C LEU A 20 -9.843 13.694 -10.384 1.00 0.00 C ATOM 270 O LEU A 20 -9.986 12.568 -9.908 1.00 0.00 O ATOM 271 CB LEU A 20 -8.100 14.418 -12.056 1.00 0.00 C ATOM 272 CG LEU A 20 -7.723 14.709 -13.526 1.00 0.00 C ATOM 273 CD1 LEU A 20 -6.748 15.887 -13.551 1.00 0.00 C ATOM 274 CD2 LEU A 20 -7.149 13.467 -14.217 1.00 0.00 C ATOM 0 H LEU A 20 -9.987 15.702 -12.782 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.637 12.920 -12.360 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.983 15.332 -11.474 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.398 13.690 -11.649 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.617 14.975 -14.090 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.470 16.107 -14.582 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.223 16.762 -13.108 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.855 15.632 -12.981 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.895 13.709 -15.249 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.253 13.139 -13.690 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.890 12.668 -14.204 1.00 0.00 H new ATOM 286 N LYS A 21 -10.021 14.804 -9.661 1.00 0.00 N ATOM 287 CA LYS A 21 -10.493 14.779 -8.268 1.00 0.00 C ATOM 288 C LYS A 21 -11.887 14.136 -8.120 1.00 0.00 C ATOM 289 O LYS A 21 -12.087 13.358 -7.185 1.00 0.00 O ATOM 290 CB LYS A 21 -10.449 16.194 -7.660 1.00 0.00 C ATOM 291 CG LYS A 21 -9.113 16.551 -6.981 1.00 0.00 C ATOM 292 CD LYS A 21 -7.850 16.286 -7.816 1.00 0.00 C ATOM 293 CE LYS A 21 -6.620 16.855 -7.094 1.00 0.00 C ATOM 294 NZ LYS A 21 -5.369 16.622 -7.864 1.00 0.00 N ATOM 0 H LYS A 21 -9.844 15.742 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.811 14.141 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.649 16.921 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.251 16.287 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.134 17.607 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.037 15.987 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.726 15.215 -7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.950 16.745 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.755 17.925 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.532 16.395 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.562 17.021 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.227 15.600 -7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.443 17.082 -8.794 1.00 0.00 H new ATOM 308 N ALA A 22 -12.827 14.369 -9.047 1.00 0.00 N ATOM 309 CA ALA A 22 -14.153 13.732 -9.019 1.00 0.00 C ATOM 310 C ALA A 22 -14.089 12.216 -9.299 1.00 0.00 C ATOM 311 O ALA A 22 -14.782 11.442 -8.638 1.00 0.00 O ATOM 312 CB ALA A 22 -15.083 14.459 -9.998 1.00 0.00 C ATOM 0 H ALA A 22 -12.691 15.002 -9.835 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.557 13.823 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.067 13.991 -9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.174 15.505 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.670 14.399 -11.005 1.00 0.00 H new ATOM 318 N ALA A 23 -13.217 11.781 -10.215 1.00 0.00 N ATOM 319 CA ALA A 23 -12.940 10.365 -10.472 1.00 0.00 C ATOM 320 C ALA A 23 -12.295 9.677 -9.257 1.00 0.00 C ATOM 321 O ALA A 23 -12.687 8.574 -8.879 1.00 0.00 O ATOM 322 CB ALA A 23 -12.041 10.264 -11.712 1.00 0.00 C ATOM 0 H ALA A 23 -12.677 12.412 -10.807 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.880 9.843 -10.653 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.824 9.216 -11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.551 10.705 -12.568 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.109 10.799 -11.530 1.00 0.00 H new ATOM 328 N SER A 24 -11.345 10.347 -8.602 1.00 0.00 N ATOM 329 CA SER A 24 -10.650 9.830 -7.416 1.00 0.00 C ATOM 330 C SER A 24 -11.562 9.745 -6.173 1.00 0.00 C ATOM 331 O SER A 24 -11.471 8.791 -5.395 1.00 0.00 O ATOM 332 CB SER A 24 -9.412 10.693 -7.149 1.00 0.00 C ATOM 333 OG SER A 24 -8.556 10.075 -6.199 1.00 0.00 O ATOM 0 H SER A 24 -11.031 11.276 -8.882 1.00 0.00 H new ATOM 0 HA SER A 24 -10.344 8.804 -7.621 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.870 10.856 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.719 11.673 -6.784 1.00 0.00 H new ATOM 0 HG SER A 24 -7.772 10.643 -6.046 1.00 0.00 H new ATOM 339 N ARG A 25 -12.523 10.672 -6.035 1.00 0.00 N ATOM 340 CA ARG A 25 -13.585 10.635 -5.013 1.00 0.00 C ATOM 341 C ARG A 25 -14.510 9.411 -5.151 1.00 0.00 C ATOM 342 O ARG A 25 -15.137 8.987 -4.176 1.00 0.00 O ATOM 343 CB ARG A 25 -14.385 11.943 -5.100 1.00 0.00 C ATOM 344 CG ARG A 25 -15.351 12.206 -3.935 1.00 0.00 C ATOM 345 CD ARG A 25 -14.672 12.248 -2.556 1.00 0.00 C ATOM 346 NE ARG A 25 -15.628 12.625 -1.498 1.00 0.00 N ATOM 347 CZ ARG A 25 -15.977 13.855 -1.135 1.00 0.00 C ATOM 348 NH1 ARG A 25 -15.485 14.930 -1.718 1.00 0.00 N ATOM 349 NH2 ARG A 25 -16.846 14.024 -0.161 1.00 0.00 N ATOM 0 H ARG A 25 -12.586 11.488 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.117 10.539 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.683 12.774 -5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.956 11.938 -6.029 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.861 13.154 -4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.116 11.429 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -14.243 11.272 -2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.848 12.962 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.069 11.859 -0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.811 14.835 -2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.779 15.857 -1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -17.247 13.214 0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -17.118 14.965 0.122 1.00 0.00 H new ATOM 363 N GLY A 26 -14.559 8.816 -6.348 1.00 0.00 N ATOM 364 CA GLY A 26 -15.321 7.603 -6.678 1.00 0.00 C ATOM 365 C GLY A 26 -14.753 6.304 -6.093 1.00 0.00 C ATOM 366 O GLY A 26 -15.464 5.300 -6.051 1.00 0.00 O ATOM 0 H GLY A 26 -14.046 9.182 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.344 7.727 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.369 7.505 -7.763 1.00 0.00 H new ATOM 370 N ASN A 27 -13.501 6.307 -5.623 1.00 0.00 N ATOM 371 CA ASN A 27 -12.883 5.163 -4.938 1.00 0.00 C ATOM 372 C ASN A 27 -13.548 4.891 -3.574 1.00 0.00 C ATOM 373 O ASN A 27 -13.575 5.756 -2.693 1.00 0.00 O ATOM 374 CB ASN A 27 -11.379 5.389 -4.763 1.00 0.00 C ATOM 375 CG ASN A 27 -10.611 5.409 -6.083 1.00 0.00 C ATOM 376 OD1 ASN A 27 -10.701 4.492 -6.890 1.00 0.00 O ATOM 377 ND2 ASN A 27 -9.825 6.438 -6.334 1.00 0.00 N ATOM 0 H ASN A 27 -12.880 7.112 -5.708 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.036 4.283 -5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -11.219 6.334 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.973 4.603 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.290 6.472 -7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.752 7.200 -5.660 1.00 0.00 H new ATOM 384 N GLY A 28 -14.092 3.679 -3.412 1.00 0.00 N ATOM 385 CA GLY A 28 -14.908 3.256 -2.258 1.00 0.00 C ATOM 386 C GLY A 28 -14.215 2.322 -1.258 1.00 0.00 C ATOM 387 O GLY A 28 -14.831 1.951 -0.261 1.00 0.00 O ATOM 0 H GLY A 28 -13.975 2.937 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.239 4.147 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.802 2.758 -2.632 1.00 0.00 H new ATOM 391 N GLU A 29 -12.959 1.941 -1.507 1.00 0.00 N ATOM 392 CA GLU A 29 -12.176 0.954 -0.751 1.00 0.00 C ATOM 393 C GLU A 29 -10.676 1.234 -0.908 1.00 0.00 C ATOM 394 O GLU A 29 -10.301 2.217 -1.541 1.00 0.00 O ATOM 395 CB GLU A 29 -12.502 -0.468 -1.240 1.00 0.00 C ATOM 396 CG GLU A 29 -12.867 -1.447 -0.110 1.00 0.00 C ATOM 397 CD GLU A 29 -14.156 -1.079 0.642 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.263 -1.300 0.095 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.067 -0.634 1.810 1.00 0.00 O ATOM 0 H GLU A 29 -12.430 2.334 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.439 1.033 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.331 -0.418 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.643 -0.860 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.976 -2.447 -0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.042 -1.489 0.602 1.00 0.00 H new ATOM 406 N TYR A 30 -9.821 0.361 -0.361 1.00 0.00 N ATOM 407 CA TYR A 30 -8.357 0.453 -0.416 1.00 0.00 C ATOM 408 C TYR A 30 -7.666 -0.814 0.111 1.00 0.00 C ATOM 409 O TYR A 30 -8.190 -1.518 0.980 1.00 0.00 O ATOM 410 CB TYR A 30 -7.855 1.674 0.370 1.00 0.00 C ATOM 411 CG TYR A 30 -8.034 1.528 1.869 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.320 1.631 2.437 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.932 1.190 2.679 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.499 1.433 3.819 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.105 0.976 4.060 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.390 1.108 4.637 1.00 0.00 C ATOM 417 OH TYR A 30 -8.569 0.907 5.973 1.00 0.00 O ATOM 0 H TYR A 30 -10.142 -0.460 0.152 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.096 0.562 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.799 1.832 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.388 2.562 0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.169 1.862 1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.950 1.095 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.482 1.529 4.255 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.259 0.712 4.677 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.709 0.691 6.390 1.00 0.00 H new ATOM 427 N ALA A 31 -6.465 -1.066 -0.398 1.00 0.00 N ATOM 428 CA ALA A 31 -5.582 -2.157 -0.007 1.00 0.00 C ATOM 429 C ALA A 31 -4.116 -1.781 -0.269 1.00 0.00 C ATOM 430 O ALA A 31 -3.817 -0.917 -1.093 1.00 0.00 O ATOM 431 CB ALA A 31 -5.995 -3.420 -0.779 1.00 0.00 C ATOM 0 H ALA A 31 -6.061 -0.484 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.672 -2.352 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.344 -4.247 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.027 -3.673 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.907 -3.237 -1.850 1.00 0.00 H new ATOM 437 N TRP A 32 -3.209 -2.466 0.426 1.00 0.00 N ATOM 438 CA TRP A 32 -1.767 -2.402 0.192 1.00 0.00 C ATOM 439 C TRP A 32 -1.239 -3.784 -0.205 1.00 0.00 C ATOM 440 O TRP A 32 -1.750 -4.814 0.244 1.00 0.00 O ATOM 441 CB TRP A 32 -1.049 -1.863 1.438 1.00 0.00 C ATOM 442 CG TRP A 32 -1.181 -0.393 1.690 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.314 0.255 2.044 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.146 0.638 1.603 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.058 1.603 2.177 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.729 1.891 1.963 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.227 0.645 1.262 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.012 3.080 2.007 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.975 1.837 1.296 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.374 3.050 1.679 1.00 0.00 C ATOM 0 H TRP A 32 -3.463 -3.097 1.186 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.566 -1.715 -0.630 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.428 -2.396 2.310 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.011 -2.103 1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.275 -0.213 2.199 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.766 2.301 2.406 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.708 -0.277 0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.461 4.008 2.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.020 1.820 1.025 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.961 3.956 1.720 1.00 0.00 H new ATOM 461 N TYR A 33 -0.187 -3.799 -1.020 1.00 0.00 N ATOM 462 CA TYR A 33 0.456 -5.009 -1.539 1.00 0.00 C ATOM 463 C TYR A 33 1.987 -4.890 -1.499 1.00 0.00 C ATOM 464 O TYR A 33 2.533 -3.788 -1.553 1.00 0.00 O ATOM 465 CB TYR A 33 -0.013 -5.274 -2.981 1.00 0.00 C ATOM 466 CG TYR A 33 -1.468 -5.670 -3.167 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.490 -4.698 -3.102 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.795 -7.007 -3.467 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.835 -5.067 -3.290 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.139 -7.380 -3.668 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.164 -6.412 -3.572 1.00 0.00 C ATOM 472 OH TYR A 33 -5.467 -6.762 -3.761 1.00 0.00 O ATOM 0 H TYR A 33 0.258 -2.942 -1.350 1.00 0.00 H new ATOM 0 HA TYR A 33 0.166 -5.845 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.172 -4.375 -3.569 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.610 -6.063 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.238 -3.666 -2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.013 -7.748 -3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.615 -4.323 -3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.386 -8.406 -3.896 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.524 -7.723 -3.947 1.00 0.00 H new ATOM 482 N TYR A 34 2.683 -6.027 -1.460 1.00 0.00 N ATOM 483 CA TYR A 34 4.148 -6.130 -1.540 1.00 0.00 C ATOM 484 C TYR A 34 4.577 -7.258 -2.493 1.00 0.00 C ATOM 485 O TYR A 34 3.868 -8.259 -2.616 1.00 0.00 O ATOM 486 CB TYR A 34 4.738 -6.340 -0.136 1.00 0.00 C ATOM 487 CG TYR A 34 4.440 -7.687 0.503 1.00 0.00 C ATOM 488 CD1 TYR A 34 3.228 -7.891 1.191 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.377 -8.736 0.407 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.943 -9.141 1.772 1.00 0.00 C ATOM 491 CE2 TYR A 34 5.101 -9.988 0.991 1.00 0.00 C ATOM 492 CZ TYR A 34 3.881 -10.194 1.674 1.00 0.00 C ATOM 493 OH TYR A 34 3.616 -11.408 2.233 1.00 0.00 O ATOM 0 H TYR A 34 2.230 -6.936 -1.369 1.00 0.00 H new ATOM 0 HA TYR A 34 4.537 -5.196 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.819 -6.215 -0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.361 -5.555 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.514 -7.085 1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.309 -8.579 -0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.009 -9.295 2.292 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.821 -10.790 0.917 1.00 0.00 H new ATOM 0 HH TYR A 34 4.368 -12.015 2.069 1.00 0.00 H new ATOM 503 N GLU A 35 5.725 -7.119 -3.161 1.00 0.00 N ATOM 504 CA GLU A 35 6.266 -8.177 -4.021 1.00 0.00 C ATOM 505 C GLU A 35 6.997 -9.236 -3.185 1.00 0.00 C ATOM 506 O GLU A 35 8.137 -9.032 -2.757 1.00 0.00 O ATOM 507 CB GLU A 35 7.190 -7.621 -5.118 1.00 0.00 C ATOM 508 CG GLU A 35 6.430 -6.797 -6.163 1.00 0.00 C ATOM 509 CD GLU A 35 7.232 -6.685 -7.469 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.074 -5.766 -7.595 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.035 -7.529 -8.374 1.00 0.00 O ATOM 0 H GLU A 35 6.302 -6.279 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 35 5.419 -8.647 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.960 -7.000 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.700 -8.448 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.464 -7.261 -6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.229 -5.801 -5.769 1.00 0.00 H new ATOM 518 N GLY A 36 6.354 -10.391 -2.992 1.00 0.00 N ATOM 519 CA GLY A 36 6.965 -11.592 -2.410 1.00 0.00 C ATOM 520 C GLY A 36 7.674 -12.438 -3.472 1.00 0.00 C ATOM 521 O GLY A 36 8.070 -11.930 -4.524 1.00 0.00 O ATOM 0 H GLY A 36 5.373 -10.521 -3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.680 -11.300 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.197 -12.191 -1.921 1.00 0.00 H new ATOM 525 N ARG A 37 7.835 -13.739 -3.201 1.00 0.00 N ATOM 526 CA ARG A 37 8.544 -14.682 -4.084 1.00 0.00 C ATOM 527 C ARG A 37 7.896 -14.824 -5.475 1.00 0.00 C ATOM 528 O ARG A 37 8.601 -14.846 -6.485 1.00 0.00 O ATOM 529 CB ARG A 37 8.606 -16.068 -3.413 1.00 0.00 C ATOM 530 CG ARG A 37 9.447 -16.137 -2.128 1.00 0.00 C ATOM 531 CD ARG A 37 10.936 -15.835 -2.356 1.00 0.00 C ATOM 532 NE ARG A 37 11.742 -16.237 -1.190 1.00 0.00 N ATOM 533 CZ ARG A 37 11.951 -15.545 -0.074 1.00 0.00 C ATOM 534 NH1 ARG A 37 11.509 -14.319 0.096 1.00 0.00 N ATOM 535 NH2 ARG A 37 12.616 -16.097 0.912 1.00 0.00 N ATOM 0 H ARG A 37 7.473 -14.175 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 37 9.543 -14.274 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.590 -16.387 -3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.008 -16.783 -4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.047 -15.428 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.348 -17.131 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.286 -16.363 -3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.070 -14.770 -2.545 1.00 0.00 H new ATOM 0 HE ARG A 37 12.191 -17.151 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.981 -13.860 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.694 -13.827 0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.968 -17.050 0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.781 -15.574 1.772 1.00 0.00 H new ATOM 549 N ASN A 38 6.561 -14.926 -5.519 1.00 0.00 N ATOM 550 CA ASN A 38 5.792 -15.272 -6.729 1.00 0.00 C ATOM 551 C ASN A 38 5.010 -14.101 -7.370 1.00 0.00 C ATOM 552 O ASN A 38 4.506 -14.245 -8.486 1.00 0.00 O ATOM 553 CB ASN A 38 4.870 -16.461 -6.399 1.00 0.00 C ATOM 554 CG ASN A 38 5.629 -17.735 -6.021 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.711 -18.026 -6.520 1.00 0.00 O ATOM 556 ND2 ASN A 38 5.087 -18.533 -5.116 1.00 0.00 N ATOM 0 H ASN A 38 5.972 -14.768 -4.702 1.00 0.00 H new ATOM 0 HA ASN A 38 6.515 -15.544 -7.498 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.211 -16.182 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.235 -16.668 -7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.569 -19.387 -4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.187 -18.294 -4.699 1.00 0.00 H new ATOM 563 N GLY A 39 4.914 -12.943 -6.699 1.00 0.00 N ATOM 564 CA GLY A 39 4.231 -11.733 -7.185 1.00 0.00 C ATOM 565 C GLY A 39 3.718 -10.838 -6.057 1.00 0.00 C ATOM 566 O GLY A 39 4.171 -10.947 -4.917 1.00 0.00 O ATOM 0 H GLY A 39 5.323 -12.818 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.918 -11.162 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.393 -12.026 -7.818 1.00 0.00 H new ATOM 570 N TRP A 40 2.780 -9.943 -6.379 1.00 0.00 N ATOM 571 CA TRP A 40 2.089 -9.092 -5.407 1.00 0.00 C ATOM 572 C TRP A 40 1.190 -9.899 -4.458 1.00 0.00 C ATOM 573 O TRP A 40 0.329 -10.658 -4.907 1.00 0.00 O ATOM 574 CB TRP A 40 1.253 -8.050 -6.160 1.00 0.00 C ATOM 575 CG TRP A 40 2.046 -7.091 -6.987 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.170 -7.126 -8.331 1.00 0.00 C ATOM 577 CD2 TRP A 40 2.848 -5.958 -6.540 1.00 0.00 C ATOM 578 NE1 TRP A 40 2.992 -6.098 -8.744 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.420 -5.326 -7.684 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.149 -5.403 -5.279 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.224 -4.180 -7.584 1.00 0.00 C ATOM 582 CZ3 TRP A 40 3.961 -4.260 -5.167 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.486 -3.637 -6.314 1.00 0.00 C ATOM 0 H TRP A 40 2.474 -9.787 -7.340 1.00 0.00 H new ATOM 0 HA TRP A 40 2.844 -8.603 -4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.547 -8.570 -6.808 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.665 -7.485 -5.437 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.699 -7.847 -8.982 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.252 -5.929 -9.716 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.750 -5.862 -4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.636 -3.721 -8.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.184 -3.856 -4.190 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.088 -2.745 -6.219 1.00 0.00 H new ATOM 594 N TRP A 41 1.345 -9.668 -3.151 1.00 0.00 N ATOM 595 CA TRP A 41 0.535 -10.261 -2.081 1.00 0.00 C ATOM 596 C TRP A 41 0.016 -9.174 -1.131 1.00 0.00 C ATOM 597 O TRP A 41 0.721 -8.207 -0.842 1.00 0.00 O ATOM 598 CB TRP A 41 1.359 -11.339 -1.355 1.00 0.00 C ATOM 599 CG TRP A 41 1.813 -12.448 -2.255 1.00 0.00 C ATOM 600 CD1 TRP A 41 3.094 -12.800 -2.501 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.996 -13.296 -3.118 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.129 -13.774 -3.482 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.864 -14.078 -3.936 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.391 -13.451 -3.325 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.382 -14.925 -4.946 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.888 -14.309 -4.321 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.006 -15.040 -5.139 1.00 0.00 C ATOM 0 H TRP A 41 2.065 -9.039 -2.795 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.345 -10.745 -2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.231 -10.872 -0.898 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.761 -11.759 -0.546 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.959 -12.384 -2.007 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.983 -14.212 -3.826 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.084 -12.900 -2.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.068 -15.481 -5.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.954 -14.408 -4.460 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.394 -15.687 -5.912 1.00 0.00 H new ATOM 618 N GLN A 42 -1.242 -9.299 -0.704 1.00 0.00 N ATOM 619 CA GLN A 42 -1.953 -8.257 0.043 1.00 0.00 C ATOM 620 C GLN A 42 -1.600 -8.294 1.540 1.00 0.00 C ATOM 621 O GLN A 42 -1.503 -9.365 2.145 1.00 0.00 O ATOM 622 CB GLN A 42 -3.469 -8.429 -0.173 1.00 0.00 C ATOM 623 CG GLN A 42 -4.254 -7.152 0.169 1.00 0.00 C ATOM 624 CD GLN A 42 -5.772 -7.360 0.147 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.334 -8.061 -0.687 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.502 -6.775 1.077 1.00 0.00 N ATOM 0 H GLN A 42 -1.803 -10.135 -0.868 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.642 -7.281 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.657 -8.702 -1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.831 -9.252 0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.955 -6.802 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.990 -6.368 -0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.056 -6.187 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.513 -6.910 1.092 1.00 0.00 H new ATOM 635 N TYR A 43 -1.448 -7.118 2.154 1.00 0.00 N ATOM 636 CA TYR A 43 -1.330 -6.962 3.609 1.00 0.00 C ATOM 637 C TYR A 43 -2.660 -7.222 4.350 1.00 0.00 C ATOM 638 O TYR A 43 -3.753 -7.055 3.801 1.00 0.00 O ATOM 639 CB TYR A 43 -0.830 -5.546 3.923 1.00 0.00 C ATOM 640 CG TYR A 43 0.644 -5.314 3.672 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.594 -5.718 4.628 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.061 -4.654 2.504 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.960 -5.454 4.416 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.420 -4.379 2.285 1.00 0.00 C ATOM 645 CZ TYR A 43 3.372 -4.782 3.245 1.00 0.00 C ATOM 646 OH TYR A 43 4.689 -4.534 3.027 1.00 0.00 O ATOM 0 H TYR A 43 -1.403 -6.233 1.648 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.620 -7.710 3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.401 -4.835 3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.043 -5.326 4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.275 -6.230 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.329 -4.355 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.691 -5.765 5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.734 -3.863 1.389 1.00 0.00 H new ATOM 0 HH TYR A 43 4.832 -3.567 2.951 1.00 0.00 H new ATOM 656 N ASP A 44 -2.561 -7.584 5.633 1.00 0.00 N ATOM 657 CA ASP A 44 -3.697 -7.734 6.552 1.00 0.00 C ATOM 658 C ASP A 44 -4.400 -6.389 6.837 1.00 0.00 C ATOM 659 O ASP A 44 -3.791 -5.324 6.730 1.00 0.00 O ATOM 660 CB ASP A 44 -3.182 -8.394 7.839 1.00 0.00 C ATOM 661 CG ASP A 44 -4.304 -8.639 8.852 1.00 0.00 C ATOM 662 OD1 ASP A 44 -5.055 -9.628 8.690 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.457 -7.801 9.767 1.00 0.00 O ATOM 0 H ASP A 44 -1.664 -7.787 6.074 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.456 -8.365 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.704 -9.342 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.419 -7.760 8.291 1.00 0.00 H new ATOM 668 N GLU A 45 -5.677 -6.423 7.233 1.00 0.00 N ATOM 669 CA GLU A 45 -6.507 -5.236 7.478 1.00 0.00 C ATOM 670 C GLU A 45 -6.037 -4.407 8.685 1.00 0.00 C ATOM 671 O GLU A 45 -6.315 -3.208 8.747 1.00 0.00 O ATOM 672 CB GLU A 45 -7.988 -5.646 7.626 1.00 0.00 C ATOM 673 CG GLU A 45 -8.229 -6.785 8.631 1.00 0.00 C ATOM 674 CD GLU A 45 -9.722 -6.970 8.945 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.496 -7.362 8.040 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.118 -6.743 10.112 1.00 0.00 O ATOM 0 H GLU A 45 -6.175 -7.298 7.396 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.399 -4.586 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.565 -4.775 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.368 -5.950 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.825 -7.714 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.688 -6.575 9.554 1.00 0.00 H new ATOM 683 N ARG A 46 -5.291 -5.011 9.619 1.00 0.00 N ATOM 684 CA ARG A 46 -4.728 -4.323 10.790 1.00 0.00 C ATOM 685 C ARG A 46 -3.304 -3.807 10.532 1.00 0.00 C ATOM 686 O ARG A 46 -2.814 -2.971 11.296 1.00 0.00 O ATOM 687 CB ARG A 46 -4.753 -5.241 12.025 1.00 0.00 C ATOM 688 CG ARG A 46 -6.068 -6.017 12.265 1.00 0.00 C ATOM 689 CD ARG A 46 -7.337 -5.167 12.094 1.00 0.00 C ATOM 690 NE ARG A 46 -8.565 -5.947 12.322 1.00 0.00 N ATOM 691 CZ ARG A 46 -9.120 -6.292 13.474 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.593 -5.980 14.640 1.00 0.00 N ATOM 693 NH2 ARG A 46 -10.245 -6.971 13.444 1.00 0.00 N ATOM 0 H ARG A 46 -5.058 -6.003 9.583 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.357 -3.454 10.983 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.940 -5.962 11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.545 -4.636 12.907 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.112 -6.859 11.574 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.054 -6.432 13.273 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.307 -4.329 12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.357 -4.746 11.089 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.052 -6.263 11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.722 -5.451 14.681 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.056 -6.267 15.502 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.668 -7.218 12.549 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.695 -7.250 14.315 1.00 0.00 H new ATOM 707 N THR A 47 -2.659 -4.268 9.450 1.00 0.00 N ATOM 708 CA THR A 47 -1.327 -3.826 9.007 1.00 0.00 C ATOM 709 C THR A 47 -1.429 -2.744 7.945 1.00 0.00 C ATOM 710 O THR A 47 -0.867 -1.668 8.111 1.00 0.00 O ATOM 711 CB THR A 47 -0.488 -5.014 8.520 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.414 -5.952 9.571 1.00 0.00 O ATOM 713 CG2 THR A 47 0.931 -4.572 8.165 1.00 0.00 C ATOM 0 H THR A 47 -3.061 -4.980 8.840 1.00 0.00 H new ATOM 0 HA THR A 47 -0.817 -3.390 9.866 1.00 0.00 H new ATOM 0 HB THR A 47 -0.953 -5.441 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.117 -6.724 9.284 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.505 -5.433 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.892 -3.824 7.373 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.410 -4.144 9.046 1.00 0.00 H new ATOM 721 N SER A 48 -2.189 -2.984 6.878 1.00 0.00 N ATOM 722 CA SER A 48 -2.354 -2.027 5.769 1.00 0.00 C ATOM 723 C SER A 48 -2.946 -0.686 6.208 1.00 0.00 C ATOM 724 O SER A 48 -2.586 0.358 5.659 1.00 0.00 O ATOM 725 CB SER A 48 -3.219 -2.622 4.651 1.00 0.00 C ATOM 726 OG SER A 48 -4.511 -3.002 5.099 1.00 0.00 O ATOM 0 H SER A 48 -2.713 -3.850 6.751 1.00 0.00 H new ATOM 0 HA SER A 48 -1.348 -1.834 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.318 -1.893 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.714 -3.492 4.231 1.00 0.00 H new ATOM 0 HG SER A 48 -4.439 -3.792 5.674 1.00 0.00 H new ATOM 732 N ARG A 49 -3.770 -0.682 7.265 1.00 0.00 N ATOM 733 CA ARG A 49 -4.293 0.552 7.848 1.00 0.00 C ATOM 734 C ARG A 49 -3.186 1.445 8.415 1.00 0.00 C ATOM 735 O ARG A 49 -3.346 2.659 8.414 1.00 0.00 O ATOM 736 CB ARG A 49 -5.401 0.243 8.869 1.00 0.00 C ATOM 737 CG ARG A 49 -4.919 -0.279 10.237 1.00 0.00 C ATOM 738 CD ARG A 49 -4.418 0.764 11.258 1.00 0.00 C ATOM 739 NE ARG A 49 -5.300 1.940 11.385 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.908 3.194 11.603 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.668 3.514 11.897 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.778 4.177 11.528 1.00 0.00 N ATOM 0 H ARG A 49 -4.088 -1.530 7.734 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.748 1.135 7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.984 1.150 9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.075 -0.496 8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.739 -0.832 10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.114 -0.992 10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.320 0.287 12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.422 1.097 10.965 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.303 1.777 11.298 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.956 2.787 11.967 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.417 4.490 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.753 3.979 11.303 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.478 5.137 11.695 1.00 0.00 H new ATOM 756 N GLU A 50 -2.057 0.879 8.862 1.00 0.00 N ATOM 757 CA GLU A 50 -0.941 1.670 9.410 1.00 0.00 C ATOM 758 C GLU A 50 -0.222 2.415 8.280 1.00 0.00 C ATOM 759 O GLU A 50 0.134 3.586 8.411 1.00 0.00 O ATOM 760 CB GLU A 50 0.064 0.771 10.156 1.00 0.00 C ATOM 761 CG GLU A 50 -0.520 -0.018 11.336 1.00 0.00 C ATOM 762 CD GLU A 50 -0.726 0.865 12.577 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.662 1.697 12.578 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.039 0.725 13.560 1.00 0.00 O ATOM 0 H GLU A 50 -1.890 -0.127 8.856 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.353 2.389 10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.495 0.066 9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.881 1.392 10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.473 -0.457 11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.147 -0.843 11.585 1.00 0.00 H new ATOM 771 N LEU A 51 -0.077 1.740 7.136 1.00 0.00 N ATOM 772 CA LEU A 51 0.520 2.262 5.909 1.00 0.00 C ATOM 773 C LEU A 51 -0.367 3.359 5.298 1.00 0.00 C ATOM 774 O LEU A 51 0.122 4.433 4.946 1.00 0.00 O ATOM 775 CB LEU A 51 0.728 1.083 4.933 1.00 0.00 C ATOM 776 CG LEU A 51 1.405 -0.178 5.512 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.453 -1.288 4.457 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.814 0.132 6.021 1.00 0.00 C ATOM 0 H LEU A 51 -0.387 0.773 7.038 1.00 0.00 H new ATOM 0 HA LEU A 51 1.484 2.723 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.244 0.795 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.326 1.437 4.093 1.00 0.00 H new ATOM 0 HG LEU A 51 0.810 -0.520 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.933 -2.171 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.439 -1.540 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.022 -0.944 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.264 -0.776 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.424 0.506 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.760 0.887 6.805 1.00 0.00 H new ATOM 790 N GLU A 52 -1.680 3.107 5.246 1.00 0.00 N ATOM 791 CA GLU A 52 -2.703 4.043 4.774 1.00 0.00 C ATOM 792 C GLU A 52 -2.811 5.307 5.655 1.00 0.00 C ATOM 793 O GLU A 52 -3.124 6.389 5.157 1.00 0.00 O ATOM 794 CB GLU A 52 -4.055 3.303 4.735 1.00 0.00 C ATOM 795 CG GLU A 52 -5.184 4.055 4.009 1.00 0.00 C ATOM 796 CD GLU A 52 -5.028 4.114 2.482 1.00 0.00 C ATOM 797 OE1 GLU A 52 -4.055 3.561 1.918 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.887 4.739 1.822 1.00 0.00 O ATOM 0 H GLU A 52 -2.072 2.213 5.542 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.418 4.388 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.911 2.338 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.372 3.101 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.134 3.576 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.234 5.073 4.396 1.00 0.00 H new ATOM 805 N ASP A 53 -2.528 5.199 6.955 1.00 0.00 N ATOM 806 CA ASP A 53 -2.601 6.313 7.907 1.00 0.00 C ATOM 807 C ASP A 53 -1.335 7.173 7.842 1.00 0.00 C ATOM 808 O ASP A 53 -1.397 8.393 7.914 1.00 0.00 O ATOM 809 CB ASP A 53 -2.784 5.731 9.317 1.00 0.00 C ATOM 810 CG ASP A 53 -3.267 6.710 10.398 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.801 7.796 10.077 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.175 6.327 11.590 1.00 0.00 O ATOM 0 H ASP A 53 -2.237 4.321 7.384 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.445 6.956 7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.496 4.908 9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.833 5.307 9.639 1.00 0.00 H new ATOM 817 N ALA A 54 -0.181 6.535 7.655 1.00 0.00 N ATOM 818 CA ALA A 54 1.133 7.175 7.637 1.00 0.00 C ATOM 819 C ALA A 54 1.297 8.246 6.544 1.00 0.00 C ATOM 820 O ALA A 54 1.688 9.374 6.861 1.00 0.00 O ATOM 821 CB ALA A 54 2.181 6.069 7.536 1.00 0.00 C ATOM 0 H ALA A 54 -0.133 5.527 7.507 1.00 0.00 H new ATOM 0 HA ALA A 54 1.261 7.739 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.177 6.512 7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.093 5.405 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.022 5.500 6.620 1.00 0.00 H new ATOM 827 N PHE A 55 0.940 7.944 5.287 1.00 0.00 N ATOM 828 CA PHE A 55 1.001 8.938 4.201 1.00 0.00 C ATOM 829 C PHE A 55 -0.061 10.041 4.365 1.00 0.00 C ATOM 830 O PHE A 55 0.067 11.131 3.806 1.00 0.00 O ATOM 831 CB PHE A 55 0.926 8.257 2.820 1.00 0.00 C ATOM 832 CG PHE A 55 -0.458 8.118 2.215 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.263 7.014 2.537 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.932 9.090 1.312 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.535 6.877 1.952 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.204 8.952 0.727 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.004 7.841 1.046 1.00 0.00 C ATOM 0 H PHE A 55 0.607 7.025 4.996 1.00 0.00 H new ATOM 0 HA PHE A 55 1.969 9.435 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.548 8.822 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.364 7.263 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.906 6.270 3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.317 9.944 1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.153 6.027 2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.565 9.698 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.979 7.729 0.594 1.00 0.00 H new ATOM 847 N SER A 56 -1.085 9.766 5.172 1.00 0.00 N ATOM 848 CA SER A 56 -2.154 10.709 5.529 1.00 0.00 C ATOM 849 C SER A 56 -1.766 11.625 6.711 1.00 0.00 C ATOM 850 O SER A 56 -2.179 12.787 6.770 1.00 0.00 O ATOM 851 CB SER A 56 -3.429 9.914 5.848 1.00 0.00 C ATOM 852 OG SER A 56 -4.593 10.711 5.665 1.00 0.00 O ATOM 0 H SER A 56 -1.201 8.853 5.611 1.00 0.00 H new ATOM 0 HA SER A 56 -2.327 11.369 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.483 9.035 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.389 9.555 6.877 1.00 0.00 H new ATOM 0 HG SER A 56 -5.389 10.179 5.874 1.00 0.00 H new ATOM 858 N LYS A 57 -0.916 11.141 7.630 1.00 0.00 N ATOM 859 CA LYS A 57 -0.382 11.899 8.771 1.00 0.00 C ATOM 860 C LYS A 57 0.695 12.903 8.333 1.00 0.00 C ATOM 861 O LYS A 57 0.713 14.042 8.810 1.00 0.00 O ATOM 862 CB LYS A 57 0.224 10.915 9.784 1.00 0.00 C ATOM 863 CG LYS A 57 -0.822 10.176 10.636 1.00 0.00 C ATOM 864 CD LYS A 57 -0.272 8.838 11.152 1.00 0.00 C ATOM 865 CE LYS A 57 1.066 8.958 11.903 1.00 0.00 C ATOM 866 NZ LYS A 57 0.866 9.268 13.346 1.00 0.00 N ATOM 0 H LYS A 57 -0.571 10.182 7.598 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.201 12.461 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.826 10.181 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.899 11.459 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.116 10.801 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.719 9.999 10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.009 8.385 11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.144 8.160 10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.622 8.026 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.671 9.740 11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.790 9.341 13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.358 10.170 13.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.310 8.510 13.790 1.00 0.00 H new ATOM 880 N GLY A 58 1.590 12.472 7.433 1.00 0.00 N ATOM 881 CA GLY A 58 2.689 13.278 6.891 1.00 0.00 C ATOM 882 C GLY A 58 4.067 12.646 7.054 1.00 0.00 C ATOM 883 O GLY A 58 5.032 13.172 6.498 1.00 0.00 O ATOM 0 H GLY A 58 1.567 11.526 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.506 13.456 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.688 14.251 7.382 1.00 0.00 H new ATOM 887 N LYS A 59 4.190 11.529 7.785 1.00 0.00 N ATOM 888 CA LYS A 59 5.448 10.779 7.842 1.00 0.00 C ATOM 889 C LYS A 59 5.819 10.158 6.483 1.00 0.00 C ATOM 890 O LYS A 59 4.966 9.799 5.670 1.00 0.00 O ATOM 891 CB LYS A 59 5.440 9.737 8.978 1.00 0.00 C ATOM 892 CG LYS A 59 4.178 8.869 9.022 1.00 0.00 C ATOM 893 CD LYS A 59 4.360 7.607 9.874 1.00 0.00 C ATOM 894 CE LYS A 59 4.837 7.868 11.312 1.00 0.00 C ATOM 895 NZ LYS A 59 5.026 6.596 12.061 1.00 0.00 N ATOM 0 H LYS A 59 3.436 11.128 8.342 1.00 0.00 H new ATOM 0 HA LYS A 59 6.235 11.496 8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.310 9.089 8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.546 10.254 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.351 9.456 9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.904 8.581 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.412 7.070 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.078 6.952 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.775 8.422 11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.110 8.493 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.414 6.594 12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.776 5.793 11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.020 6.511 12.355 1.00 0.00 H new ATOM 909 N LYS A 60 7.125 10.001 6.267 1.00 0.00 N ATOM 910 CA LYS A 60 7.719 9.509 5.010 1.00 0.00 C ATOM 911 C LYS A 60 8.078 8.013 5.050 1.00 0.00 C ATOM 912 O LYS A 60 8.571 7.457 4.070 1.00 0.00 O ATOM 913 CB LYS A 60 8.903 10.418 4.631 1.00 0.00 C ATOM 914 CG LYS A 60 10.211 10.161 5.389 1.00 0.00 C ATOM 915 CD LYS A 60 11.305 11.131 4.925 1.00 0.00 C ATOM 916 CE LYS A 60 12.681 10.673 5.430 1.00 0.00 C ATOM 917 NZ LYS A 60 13.762 11.083 4.498 1.00 0.00 N ATOM 0 H LYS A 60 7.824 10.217 6.978 1.00 0.00 H new ATOM 0 HA LYS A 60 6.970 9.569 4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.095 10.306 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.608 11.454 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.045 10.277 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.536 9.133 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.311 11.187 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.091 12.134 5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.868 11.097 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.687 9.589 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.682 10.789 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.613 10.631 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.749 12.117 4.384 1.00 0.00 H new ATOM 931 N ASN A 61 7.831 7.362 6.188 1.00 0.00 N ATOM 932 CA ASN A 61 8.052 5.939 6.452 1.00 0.00 C ATOM 933 C ASN A 61 7.415 5.565 7.794 1.00 0.00 C ATOM 934 O ASN A 61 7.391 6.380 8.720 1.00 0.00 O ATOM 935 CB ASN A 61 9.545 5.549 6.436 1.00 0.00 C ATOM 936 CG ASN A 61 10.346 6.175 7.569 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.663 7.444 7.425 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.672 5.544 8.566 1.00 0.00 N flip ATOM 0 H ASN A 61 7.447 7.845 7.001 1.00 0.00 H new ATOM 0 HA ASN A 61 7.580 5.379 5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.630 4.464 6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.981 5.850 5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.414 4.561 8.654 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.201 6.001 9.308 1.00 0.00 H new ATOM 945 N THR A 62 6.911 4.337 7.891 1.00 0.00 N ATOM 946 CA THR A 62 6.321 3.776 9.120 1.00 0.00 C ATOM 947 C THR A 62 6.811 2.356 9.390 1.00 0.00 C ATOM 948 O THR A 62 7.583 1.807 8.611 1.00 0.00 O ATOM 949 CB THR A 62 4.797 3.933 9.091 1.00 0.00 C ATOM 950 OG1 THR A 62 4.341 3.876 10.424 1.00 0.00 O ATOM 951 CG2 THR A 62 4.086 2.878 8.243 1.00 0.00 C ATOM 0 H THR A 62 6.897 3.685 7.106 1.00 0.00 H new ATOM 0 HA THR A 62 6.669 4.346 9.981 1.00 0.00 H new ATOM 0 HB THR A 62 4.561 4.888 8.621 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.366 3.975 10.441 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.011 3.053 8.270 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.438 2.941 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.302 1.886 8.640 1.00 0.00 H new ATOM 959 N GLU A 63 6.399 1.770 10.509 1.00 0.00 N ATOM 960 CA GLU A 63 6.878 0.487 11.024 1.00 0.00 C ATOM 961 C GLU A 63 5.719 -0.474 11.301 1.00 0.00 C ATOM 962 O GLU A 63 4.632 -0.065 11.724 1.00 0.00 O ATOM 963 CB GLU A 63 7.685 0.728 12.307 1.00 0.00 C ATOM 964 CG GLU A 63 9.056 1.324 11.978 1.00 0.00 C ATOM 965 CD GLU A 63 9.890 1.577 13.241 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.529 2.469 14.045 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.929 0.902 13.420 1.00 0.00 O ATOM 0 H GLU A 63 5.691 2.193 11.110 1.00 0.00 H new ATOM 0 HA GLU A 63 7.513 0.025 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.138 1.403 12.966 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.811 -0.211 12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.596 0.647 11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.924 2.261 11.437 1.00 0.00 H new ATOM 974 N MET A 64 5.969 -1.764 11.071 1.00 0.00 N ATOM 975 CA MET A 64 4.969 -2.836 11.131 1.00 0.00 C ATOM 976 C MET A 64 5.589 -4.180 11.522 1.00 0.00 C ATOM 977 O MET A 64 6.727 -4.491 11.164 1.00 0.00 O ATOM 978 CB MET A 64 4.225 -2.947 9.785 1.00 0.00 C ATOM 979 CG MET A 64 5.186 -3.045 8.595 1.00 0.00 C ATOM 980 SD MET A 64 4.425 -3.399 6.999 1.00 0.00 S ATOM 981 CE MET A 64 5.949 -3.786 6.104 1.00 0.00 C ATOM 0 H MET A 64 6.900 -2.104 10.830 1.00 0.00 H new ATOM 0 HA MET A 64 4.253 -2.576 11.911 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.579 -3.825 9.801 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.579 -2.078 9.657 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.733 -2.105 8.515 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.919 -3.823 8.807 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.850 -3.473 5.065 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.785 -3.259 6.564 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.132 -4.860 6.144 1.00 0.00 H new ATOM 991 N LEU A 65 4.812 -4.979 12.252 1.00 0.00 N ATOM 992 CA LEU A 65 5.156 -6.325 12.706 1.00 0.00 C ATOM 993 C LEU A 65 4.472 -7.366 11.816 1.00 0.00 C ATOM 994 O LEU A 65 3.328 -7.188 11.390 1.00 0.00 O ATOM 995 CB LEU A 65 4.742 -6.477 14.189 1.00 0.00 C ATOM 996 CG LEU A 65 5.763 -7.161 15.117 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.120 -8.595 14.720 1.00 0.00 C ATOM 998 CD2 LEU A 65 7.028 -6.308 15.236 1.00 0.00 C ATOM 0 H LEU A 65 3.882 -4.692 12.557 1.00 0.00 H new ATOM 0 HA LEU A 65 6.231 -6.487 12.631 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.528 -5.485 14.588 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.812 -7.043 14.228 1.00 0.00 H new ATOM 0 HG LEU A 65 5.272 -7.241 16.087 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.844 -8.999 15.427 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.220 -9.210 14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.550 -8.599 13.718 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.741 -6.804 15.895 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.474 -6.180 14.250 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.771 -5.332 15.648 1.00 0.00 H new ATOM 1010 N ILE A 66 5.178 -8.461 11.554 1.00 0.00 N ATOM 1011 CA ILE A 66 4.720 -9.581 10.707 1.00 0.00 C ATOM 1012 C ILE A 66 4.741 -10.920 11.474 1.00 0.00 C ATOM 1013 O ILE A 66 4.629 -10.937 12.699 1.00 0.00 O ATOM 1014 CB ILE A 66 5.487 -9.585 9.365 1.00 0.00 C ATOM 1015 CG1 ILE A 66 6.980 -9.948 9.541 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.308 -8.240 8.634 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.384 -11.188 8.735 1.00 0.00 C ATOM 0 H ILE A 66 6.114 -8.608 11.932 1.00 0.00 H new ATOM 0 HA ILE A 66 3.671 -9.438 10.448 1.00 0.00 H new ATOM 0 HB ILE A 66 5.055 -10.369 8.743 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.595 -9.102 9.232 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.186 -10.123 10.597 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.855 -8.262 7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.250 -8.072 8.435 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.692 -7.433 9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.442 -11.397 8.895 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.791 -12.043 9.061 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.207 -11.007 7.675 1.00 0.00 H new ATOM 1029 N ALA A 67 4.900 -12.052 10.779 1.00 0.00 N ATOM 1030 CA ALA A 67 4.977 -13.396 11.361 1.00 0.00 C ATOM 1031 C ALA A 67 6.127 -13.620 12.373 1.00 0.00 C ATOM 1032 O ALA A 67 6.087 -14.595 13.129 1.00 0.00 O ATOM 1033 CB ALA A 67 5.119 -14.377 10.189 1.00 0.00 C ATOM 0 H ALA A 67 4.981 -12.057 9.762 1.00 0.00 H new ATOM 0 HA ALA A 67 4.071 -13.549 11.947 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.180 -15.395 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.253 -14.288 9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.024 -14.145 9.628 1.00 0.00 H new ATOM 1039 N GLY A 68 7.137 -12.738 12.408 1.00 0.00 N ATOM 1040 CA GLY A 68 8.273 -12.833 13.337 1.00 0.00 C ATOM 1041 C GLY A 68 9.335 -11.730 13.240 1.00 0.00 C ATOM 1042 O GLY A 68 10.437 -11.922 13.756 1.00 0.00 O ATOM 0 H GLY A 68 7.189 -11.931 11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.881 -12.840 14.354 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.764 -13.793 13.178 1.00 0.00 H new ATOM 1046 N PHE A 69 9.035 -10.599 12.585 1.00 0.00 N ATOM 1047 CA PHE A 69 10.006 -9.554 12.227 1.00 0.00 C ATOM 1048 C PHE A 69 9.363 -8.160 12.175 1.00 0.00 C ATOM 1049 O PHE A 69 8.175 -8.023 11.874 1.00 0.00 O ATOM 1050 CB PHE A 69 10.637 -9.871 10.855 1.00 0.00 C ATOM 1051 CG PHE A 69 11.454 -11.149 10.786 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.804 -11.139 11.189 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.874 -12.344 10.315 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.568 -12.317 11.123 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.641 -13.521 10.248 1.00 0.00 C ATOM 1056 CZ PHE A 69 12.988 -13.508 10.652 1.00 0.00 C ATOM 0 H PHE A 69 8.086 -10.380 12.282 1.00 0.00 H new ATOM 0 HA PHE A 69 10.771 -9.544 13.003 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.840 -9.931 10.114 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.277 -9.036 10.568 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.252 -10.225 11.549 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.839 -12.356 10.005 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.602 -12.307 11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.195 -14.436 9.886 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.576 -14.412 10.600 1.00 0.00 H new ATOM 1066 N LEU A 70 10.174 -7.127 12.423 1.00 0.00 N ATOM 1067 CA LEU A 70 9.822 -5.722 12.201 1.00 0.00 C ATOM 1068 C LEU A 70 10.303 -5.332 10.798 1.00 0.00 C ATOM 1069 O LEU A 70 11.489 -5.446 10.479 1.00 0.00 O ATOM 1070 CB LEU A 70 10.478 -4.856 13.299 1.00 0.00 C ATOM 1071 CG LEU A 70 9.978 -3.405 13.494 1.00 0.00 C ATOM 1072 CD1 LEU A 70 10.012 -2.535 12.231 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.569 -3.354 14.095 1.00 0.00 C ATOM 0 H LEU A 70 11.117 -7.248 12.793 1.00 0.00 H new ATOM 0 HA LEU A 70 8.745 -5.564 12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.358 -5.378 14.248 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.547 -4.813 13.092 1.00 0.00 H new ATOM 0 HG LEU A 70 10.699 -2.981 14.194 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.643 -1.537 12.467 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.036 -2.466 11.864 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.381 -2.983 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.261 -2.315 14.213 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.872 -3.866 13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.571 -3.845 15.068 1.00 0.00 H new ATOM 1085 N TYR A 71 9.384 -4.829 9.983 1.00 0.00 N ATOM 1086 CA TYR A 71 9.672 -4.207 8.688 1.00 0.00 C ATOM 1087 C TYR A 71 9.345 -2.705 8.705 1.00 0.00 C ATOM 1088 O TYR A 71 8.258 -2.288 9.110 1.00 0.00 O ATOM 1089 CB TYR A 71 8.922 -4.942 7.567 1.00 0.00 C ATOM 1090 CG TYR A 71 9.367 -6.370 7.286 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.731 -6.713 7.181 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.398 -7.373 7.097 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.110 -8.048 6.946 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.770 -8.713 6.912 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.137 -9.060 6.844 1.00 0.00 C ATOM 1096 OH TYR A 71 10.537 -10.351 6.673 1.00 0.00 O ATOM 0 H TYR A 71 8.389 -4.841 10.207 1.00 0.00 H new ATOM 0 HA TYR A 71 10.741 -4.295 8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.861 -4.956 7.817 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.026 -4.364 6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.487 -5.949 7.281 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.351 -7.107 7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.156 -8.298 6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.012 -9.477 6.822 1.00 0.00 H new ATOM 0 HH TYR A 71 9.753 -10.920 6.525 1.00 0.00 H new ATOM 1106 N VAL A 72 10.300 -1.894 8.252 1.00 0.00 N ATOM 1107 CA VAL A 72 10.156 -0.457 8.001 1.00 0.00 C ATOM 1108 C VAL A 72 9.601 -0.302 6.589 1.00 0.00 C ATOM 1109 O VAL A 72 10.273 -0.657 5.621 1.00 0.00 O ATOM 1110 CB VAL A 72 11.499 0.305 8.128 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.275 1.827 8.050 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.244 -0.038 9.427 1.00 0.00 C ATOM 0 H VAL A 72 11.238 -2.234 8.040 1.00 0.00 H new ATOM 0 HA VAL A 72 9.488 -0.027 8.748 1.00 0.00 H new ATOM 0 HB VAL A 72 12.118 -0.016 7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.232 2.341 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.818 2.079 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.616 2.140 8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.179 0.521 9.469 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.624 0.227 10.283 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.459 -1.106 9.452 1.00 0.00 H new ATOM 1122 N ALA A 73 8.376 0.202 6.472 1.00 0.00 N ATOM 1123 CA ALA A 73 7.745 0.545 5.204 1.00 0.00 C ATOM 1124 C ALA A 73 8.104 1.992 4.843 1.00 0.00 C ATOM 1125 O ALA A 73 7.634 2.940 5.471 1.00 0.00 O ATOM 1126 CB ALA A 73 6.234 0.322 5.333 1.00 0.00 C ATOM 0 H ALA A 73 7.780 0.388 7.279 1.00 0.00 H new ATOM 0 HA ALA A 73 8.104 -0.089 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.747 0.575 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.040 -0.723 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.839 0.956 6.127 1.00 0.00 H new ATOM 1132 N ASP A 74 8.953 2.161 3.833 1.00 0.00 N ATOM 1133 CA ASP A 74 9.357 3.449 3.284 1.00 0.00 C ATOM 1134 C ASP A 74 8.330 3.941 2.258 1.00 0.00 C ATOM 1135 O ASP A 74 8.147 3.338 1.194 1.00 0.00 O ATOM 1136 CB ASP A 74 10.753 3.329 2.667 1.00 0.00 C ATOM 1137 CG ASP A 74 11.223 4.679 2.116 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.583 5.562 2.924 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.183 4.859 0.878 1.00 0.00 O ATOM 0 H ASP A 74 9.394 1.374 3.358 1.00 0.00 H new ATOM 0 HA ASP A 74 9.398 4.187 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.458 2.973 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.739 2.589 1.866 1.00 0.00 H new ATOM 1144 N LEU A 75 7.674 5.056 2.593 1.00 0.00 N ATOM 1145 CA LEU A 75 6.636 5.691 1.785 1.00 0.00 C ATOM 1146 C LEU A 75 7.224 6.658 0.736 1.00 0.00 C ATOM 1147 O LEU A 75 6.510 7.030 -0.195 1.00 0.00 O ATOM 1148 CB LEU A 75 5.621 6.396 2.716 1.00 0.00 C ATOM 1149 CG LEU A 75 4.530 5.522 3.376 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.998 4.304 4.177 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.686 6.417 4.297 1.00 0.00 C ATOM 0 H LEU A 75 7.859 5.555 3.463 1.00 0.00 H new ATOM 0 HA LEU A 75 6.116 4.919 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.180 6.891 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.124 7.177 2.141 1.00 0.00 H new ATOM 0 HG LEU A 75 3.974 5.098 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.132 3.782 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.554 3.631 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.642 4.631 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.909 5.819 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.325 6.857 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.224 7.211 3.710 1.00 0.00 H new ATOM 1163 N GLU A 76 8.510 7.030 0.831 1.00 0.00 N ATOM 1164 CA GLU A 76 9.196 7.844 -0.185 1.00 0.00 C ATOM 1165 C GLU A 76 9.334 7.093 -1.520 1.00 0.00 C ATOM 1166 O GLU A 76 8.931 7.590 -2.574 1.00 0.00 O ATOM 1167 CB GLU A 76 10.613 8.251 0.265 1.00 0.00 C ATOM 1168 CG GLU A 76 10.676 9.190 1.465 1.00 0.00 C ATOM 1169 CD GLU A 76 11.996 9.979 1.478 1.00 0.00 C ATOM 1170 OE1 GLU A 76 12.097 11.002 0.764 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.930 9.613 2.229 1.00 0.00 O ATOM 0 H GLU A 76 9.106 6.774 1.618 1.00 0.00 H new ATOM 0 HA GLU A 76 8.576 8.731 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.173 7.347 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.119 8.728 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.835 9.882 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.582 8.615 2.386 1.00 0.00 H new ATOM 1178 N ASN A 77 9.923 5.897 -1.469 1.00 0.00 N ATOM 1179 CA ASN A 77 10.280 5.070 -2.627 1.00 0.00 C ATOM 1180 C ASN A 77 9.280 3.920 -2.859 1.00 0.00 C ATOM 1181 O ASN A 77 9.398 3.186 -3.843 1.00 0.00 O ATOM 1182 CB ASN A 77 11.705 4.522 -2.419 1.00 0.00 C ATOM 1183 CG ASN A 77 12.758 5.620 -2.261 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.430 5.997 -3.216 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.945 6.156 -1.068 1.00 0.00 N ATOM 0 H ASN A 77 10.176 5.458 -0.583 1.00 0.00 H new ATOM 0 HA ASN A 77 10.242 5.692 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.717 3.887 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.972 3.892 -3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.648 6.884 -0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.386 5.842 -0.275 1.00 0.00 H new ATOM 1192 N MET A 78 8.320 3.746 -1.939 1.00 0.00 N ATOM 1193 CA MET A 78 7.351 2.639 -1.874 1.00 0.00 C ATOM 1194 C MET A 78 8.068 1.280 -1.786 1.00 0.00 C ATOM 1195 O MET A 78 7.941 0.433 -2.671 1.00 0.00 O ATOM 1196 CB MET A 78 6.336 2.689 -3.034 1.00 0.00 C ATOM 1197 CG MET A 78 5.494 3.971 -3.108 1.00 0.00 C ATOM 1198 SD MET A 78 3.819 3.841 -2.421 1.00 0.00 S ATOM 1199 CE MET A 78 4.165 4.148 -0.675 1.00 0.00 C ATOM 0 H MET A 78 8.191 4.411 -1.177 1.00 0.00 H new ATOM 0 HA MET A 78 6.774 2.762 -0.958 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.876 2.573 -3.974 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.664 1.836 -2.945 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.024 4.765 -2.582 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.418 4.276 -4.152 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.232 4.350 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.644 3.271 -0.239 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.828 5.008 -0.581 1.00 0.00 H new ATOM 1209 N VAL A 79 8.788 1.046 -0.689 1.00 0.00 N ATOM 1210 CA VAL A 79 9.500 -0.225 -0.414 1.00 0.00 C ATOM 1211 C VAL A 79 9.385 -0.621 1.064 1.00 0.00 C ATOM 1212 O VAL A 79 8.936 0.178 1.880 1.00 0.00 O ATOM 1213 CB VAL A 79 10.989 -0.184 -0.851 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.166 0.003 -2.365 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.798 0.887 -0.105 1.00 0.00 C ATOM 0 H VAL A 79 8.902 1.738 0.052 1.00 0.00 H new ATOM 0 HA VAL A 79 9.008 -0.987 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 79 11.381 -1.164 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.229 0.024 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.690 -0.824 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.706 0.942 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.831 0.869 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.367 1.869 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.771 0.684 0.966 1.00 0.00 H new ATOM 1225 N GLN A 80 9.802 -1.835 1.430 1.00 0.00 N ATOM 1226 CA GLN A 80 9.804 -2.323 2.813 1.00 0.00 C ATOM 1227 C GLN A 80 11.028 -3.201 3.105 1.00 0.00 C ATOM 1228 O GLN A 80 11.400 -4.026 2.272 1.00 0.00 O ATOM 1229 CB GLN A 80 8.467 -3.021 3.130 1.00 0.00 C ATOM 1230 CG GLN A 80 8.209 -4.320 2.336 1.00 0.00 C ATOM 1231 CD GLN A 80 8.663 -5.618 3.009 1.00 0.00 C ATOM 1232 OE1 GLN A 80 8.380 -6.751 2.396 1.00 0.00 O flip ATOM 1233 NE2 GLN A 80 9.210 -5.659 4.101 1.00 0.00 N flip ATOM 0 H GLN A 80 10.155 -2.520 0.762 1.00 0.00 H new ATOM 0 HA GLN A 80 9.892 -1.470 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.437 -3.251 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.653 -2.323 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.140 -4.393 2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.711 -4.239 1.372 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.437 -4.793 4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.440 -6.559 4.523 1.00 0.00 H new ATOM 1242 N TYR A 81 11.661 -2.991 4.267 1.00 0.00 N ATOM 1243 CA TYR A 81 12.938 -3.603 4.681 1.00 0.00 C ATOM 1244 C TYR A 81 13.089 -3.764 6.204 1.00 0.00 C ATOM 1245 O TYR A 81 12.387 -3.112 6.978 1.00 0.00 O ATOM 1246 CB TYR A 81 14.110 -2.774 4.127 1.00 0.00 C ATOM 1247 CG TYR A 81 14.032 -1.265 4.305 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.304 -0.662 5.549 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.743 -0.453 3.191 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.326 0.741 5.670 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.786 0.947 3.295 1.00 0.00 C ATOM 1252 CZ TYR A 81 14.077 1.551 4.537 1.00 0.00 C ATOM 1253 OH TYR A 81 14.121 2.909 4.639 1.00 0.00 O ATOM 0 H TYR A 81 11.284 -2.364 4.977 1.00 0.00 H new ATOM 0 HA TYR A 81 12.945 -4.611 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.027 -3.124 4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.201 -2.985 3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.497 -1.279 6.414 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.486 -0.911 2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.533 1.198 6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.597 1.560 2.426 1.00 0.00 H new ATOM 0 HH TYR A 81 13.927 3.309 3.766 1.00 0.00 H new ATOM 1263 N ARG A 82 14.038 -4.595 6.656 1.00 0.00 N ATOM 1264 CA ARG A 82 14.399 -4.729 8.082 1.00 0.00 C ATOM 1265 C ARG A 82 15.191 -3.511 8.583 1.00 0.00 C ATOM 1266 O ARG A 82 15.983 -2.934 7.838 1.00 0.00 O ATOM 1267 CB ARG A 82 15.201 -6.023 8.325 1.00 0.00 C ATOM 1268 CG ARG A 82 14.343 -7.265 8.062 1.00 0.00 C ATOM 1269 CD ARG A 82 15.051 -8.574 8.428 1.00 0.00 C ATOM 1270 NE ARG A 82 14.155 -9.724 8.201 1.00 0.00 N ATOM 1271 CZ ARG A 82 14.510 -10.966 7.890 1.00 0.00 C ATOM 1272 NH1 ARG A 82 15.765 -11.342 7.800 1.00 0.00 N ATOM 1273 NH2 ARG A 82 13.585 -11.863 7.666 1.00 0.00 N ATOM 0 H ARG A 82 14.583 -5.199 6.041 1.00 0.00 H new ATOM 0 HA ARG A 82 13.469 -4.781 8.648 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.076 -6.039 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.565 -6.041 9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.418 -7.188 8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.066 -7.291 7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.955 -8.686 7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.361 -8.547 9.473 1.00 0.00 H new ATOM 0 HE ARG A 82 13.155 -9.546 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.512 -10.670 7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.992 -12.307 7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.600 -11.607 7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.849 -12.819 7.427 1.00 0.00 H new ATOM 1287 N ARG A 83 15.027 -3.157 9.865 1.00 0.00 N ATOM 1288 CA ARG A 83 15.684 -2.001 10.513 1.00 0.00 C ATOM 1289 C ARG A 83 17.222 -1.986 10.400 1.00 0.00 C ATOM 1290 O ARG A 83 17.826 -0.914 10.459 1.00 0.00 O ATOM 1291 CB ARG A 83 15.295 -1.943 12.003 1.00 0.00 C ATOM 1292 CG ARG A 83 13.864 -1.434 12.235 1.00 0.00 C ATOM 1293 CD ARG A 83 13.445 -1.507 13.713 1.00 0.00 C ATOM 1294 NE ARG A 83 14.382 -0.799 14.607 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.366 0.488 14.942 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.417 1.315 14.559 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.336 0.970 15.690 1.00 0.00 N ATOM 0 H ARG A 83 14.420 -3.676 10.500 1.00 0.00 H new ATOM 0 HA ARG A 83 15.326 -1.126 9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.395 -2.938 12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.995 -1.294 12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.788 -0.403 11.890 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.171 -2.023 11.635 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.449 -1.079 13.825 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.379 -2.552 14.016 1.00 0.00 H new ATOM 0 HE ARG A 83 15.128 -1.362 15.015 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.649 0.977 13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.449 2.294 14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.089 0.358 16.006 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.335 1.955 15.954 1.00 0.00 H new ATOM 1311 N ASN A 84 17.866 -3.148 10.224 1.00 0.00 N ATOM 1312 CA ASN A 84 19.327 -3.261 10.163 1.00 0.00 C ATOM 1313 C ASN A 84 19.956 -2.635 8.898 1.00 0.00 C ATOM 1314 O ASN A 84 21.089 -2.157 8.962 1.00 0.00 O ATOM 1315 CB ASN A 84 19.720 -4.743 10.285 1.00 0.00 C ATOM 1316 CG ASN A 84 21.213 -4.902 10.576 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.694 -4.536 11.642 1.00 0.00 O ATOM 1318 ND2 ASN A 84 21.991 -5.445 9.657 1.00 0.00 N ATOM 0 H ASN A 84 17.383 -4.041 10.119 1.00 0.00 H new ATOM 0 HA ASN A 84 19.726 -2.685 10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.141 -5.210 11.081 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.470 -5.265 9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.989 -5.559 9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.594 -5.751 8.769 1.00 0.00 H new ATOM 1325 N GLU A 85 19.246 -2.634 7.760 1.00 0.00 N ATOM 1326 CA GLU A 85 19.798 -2.242 6.455 1.00 0.00 C ATOM 1327 C GLU A 85 18.712 -1.982 5.400 1.00 0.00 C ATOM 1328 O GLU A 85 17.858 -2.826 5.130 1.00 0.00 O ATOM 1329 CB GLU A 85 20.822 -3.290 5.964 1.00 0.00 C ATOM 1330 CG GLU A 85 20.240 -4.692 5.723 1.00 0.00 C ATOM 1331 CD GLU A 85 21.322 -5.769 5.856 1.00 0.00 C ATOM 1332 OE1 GLU A 85 22.023 -6.062 4.858 1.00 0.00 O ATOM 1333 OE2 GLU A 85 21.475 -6.320 6.971 1.00 0.00 O ATOM 0 H GLU A 85 18.264 -2.908 7.719 1.00 0.00 H new ATOM 0 HA GLU A 85 20.312 -1.292 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.271 -2.933 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.624 -3.366 6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.441 -4.885 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.796 -4.739 4.729 1.00 0.00 H new ATOM 1340 N HIS A 86 18.785 -0.827 4.733 1.00 0.00 N ATOM 1341 CA HIS A 86 17.888 -0.456 3.626 1.00 0.00 C ATOM 1342 C HIS A 86 18.032 -1.343 2.370 1.00 0.00 C ATOM 1343 O HIS A 86 17.167 -1.336 1.495 1.00 0.00 O ATOM 1344 CB HIS A 86 18.125 1.019 3.279 1.00 0.00 C ATOM 1345 CG HIS A 86 19.500 1.307 2.732 1.00 0.00 C ATOM 1346 ND1 HIS A 86 19.908 1.103 1.412 1.00 0.00 N ATOM 1347 CD2 HIS A 86 20.555 1.774 3.456 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.203 1.457 1.376 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.620 1.865 2.587 1.00 0.00 N ATOM 0 H HIS A 86 19.478 -0.110 4.947 1.00 0.00 H new ATOM 0 HA HIS A 86 16.866 -0.617 3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.381 1.334 2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.967 1.622 4.173 1.00 0.00 H new ATOM 0 HD2 HIS A 86 20.556 2.024 4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 86 21.825 1.419 0.494 1.00 0.00 H new ATOM 0 HE2 HIS A 86 22.560 2.186 2.821 1.00 0.00 H new ATOM 1357 N GLY A 87 19.125 -2.107 2.276 1.00 0.00 N ATOM 1358 CA GLY A 87 19.424 -3.049 1.183 1.00 0.00 C ATOM 1359 C GLY A 87 18.597 -4.341 1.227 1.00 0.00 C ATOM 1360 O GLY A 87 18.470 -5.012 0.204 1.00 0.00 O ATOM 0 H GLY A 87 19.857 -2.088 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.249 -2.550 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.483 -3.306 1.219 1.00 0.00 H new ATOM 1364 N ARG A 88 17.975 -4.660 2.372 1.00 0.00 N ATOM 1365 CA ARG A 88 17.070 -5.807 2.577 1.00 0.00 C ATOM 1366 C ARG A 88 15.628 -5.479 2.119 1.00 0.00 C ATOM 1367 O ARG A 88 14.658 -5.849 2.782 1.00 0.00 O ATOM 1368 CB ARG A 88 17.232 -6.262 4.051 1.00 0.00 C ATOM 1369 CG ARG A 88 16.328 -7.379 4.607 1.00 0.00 C ATOM 1370 CD ARG A 88 16.051 -8.544 3.641 1.00 0.00 C ATOM 1371 NE ARG A 88 15.025 -9.456 4.166 1.00 0.00 N ATOM 1372 CZ ARG A 88 13.721 -9.237 4.288 1.00 0.00 C ATOM 1373 NH1 ARG A 88 13.152 -8.090 3.966 1.00 0.00 N ATOM 1374 NH2 ARG A 88 12.966 -10.203 4.753 1.00 0.00 N ATOM 0 H ARG A 88 18.092 -4.103 3.218 1.00 0.00 H new ATOM 0 HA ARG A 88 17.331 -6.657 1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 88 18.265 -6.584 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.090 -5.384 4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.788 -7.780 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.375 -6.939 4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.728 -8.149 2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.973 -9.097 3.465 1.00 0.00 H new ATOM 0 HE ARG A 88 15.355 -10.370 4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 88 13.719 -7.323 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.145 -7.971 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.383 -11.097 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.961 -10.060 4.856 1.00 0.00 H new ATOM 1388 N ARG A 89 15.480 -4.753 1.000 1.00 0.00 N ATOM 1389 CA ARG A 89 14.206 -4.170 0.554 1.00 0.00 C ATOM 1390 C ARG A 89 13.455 -4.957 -0.525 1.00 0.00 C ATOM 1391 O ARG A 89 14.055 -5.593 -1.394 1.00 0.00 O ATOM 1392 CB ARG A 89 14.374 -2.684 0.190 1.00 0.00 C ATOM 1393 CG ARG A 89 15.271 -2.375 -1.015 1.00 0.00 C ATOM 1394 CD ARG A 89 15.320 -0.858 -1.252 1.00 0.00 C ATOM 1395 NE ARG A 89 16.282 -0.503 -2.311 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.544 -0.121 -2.138 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.107 -0.095 -0.949 1.00 0.00 N ATOM 1398 NH2 ARG A 89 18.264 0.246 -3.175 1.00 0.00 N ATOM 0 H ARG A 89 16.256 -4.551 0.369 1.00 0.00 H new ATOM 0 HA ARG A 89 13.547 -4.245 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.386 -2.266 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.777 -2.163 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.276 -2.757 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.889 -2.879 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.328 -0.500 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.596 -0.354 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 89 15.946 -0.556 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.573 -0.373 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.077 0.203 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.854 0.237 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.232 0.540 -3.045 1.00 0.00 H new ATOM 1412 N ARG A 90 12.122 -4.853 -0.469 1.00 0.00 N ATOM 1413 CA ARG A 90 11.138 -5.359 -1.437 1.00 0.00 C ATOM 1414 C ARG A 90 10.141 -4.246 -1.785 1.00 0.00 C ATOM 1415 O ARG A 90 9.805 -3.429 -0.927 1.00 0.00 O ATOM 1416 CB ARG A 90 10.376 -6.558 -0.836 1.00 0.00 C ATOM 1417 CG ARG A 90 11.240 -7.783 -0.483 1.00 0.00 C ATOM 1418 CD ARG A 90 11.957 -8.420 -1.680 1.00 0.00 C ATOM 1419 NE ARG A 90 11.005 -8.946 -2.674 1.00 0.00 N ATOM 1420 CZ ARG A 90 11.298 -9.446 -3.865 1.00 0.00 C ATOM 1421 NH1 ARG A 90 12.531 -9.502 -4.324 1.00 0.00 N ATOM 1422 NH2 ARG A 90 10.324 -9.906 -4.613 1.00 0.00 N ATOM 0 H ARG A 90 11.668 -4.378 0.311 1.00 0.00 H new ATOM 0 HA ARG A 90 11.659 -5.680 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.863 -6.225 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.607 -6.869 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.985 -7.486 0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.607 -8.535 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.603 -7.680 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.600 -9.228 -1.330 1.00 0.00 H new ATOM 0 HE ARG A 90 10.018 -8.923 -2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.303 -9.152 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.714 -9.895 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.362 -9.875 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.528 -10.295 -5.533 1.00 0.00 H new ATOM 1436 N LYS A 91 9.657 -4.203 -3.026 1.00 0.00 N ATOM 1437 CA LYS A 91 8.672 -3.213 -3.501 1.00 0.00 C ATOM 1438 C LYS A 91 7.294 -3.350 -2.825 1.00 0.00 C ATOM 1439 O LYS A 91 6.813 -4.467 -2.616 1.00 0.00 O ATOM 1440 CB LYS A 91 8.539 -3.355 -5.036 1.00 0.00 C ATOM 1441 CG LYS A 91 9.349 -2.319 -5.837 1.00 0.00 C ATOM 1442 CD LYS A 91 8.741 -0.906 -5.792 1.00 0.00 C ATOM 1443 CE LYS A 91 7.420 -0.804 -6.574 1.00 0.00 C ATOM 1444 NZ LYS A 91 6.576 0.325 -6.097 1.00 0.00 N ATOM 0 H LYS A 91 9.940 -4.865 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 91 9.036 -2.221 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.861 -4.355 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.487 -3.267 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.366 -2.282 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.418 -2.645 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.567 -0.622 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.457 -0.193 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.636 -0.673 -7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.867 -1.738 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.942 0.632 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.010 0.015 -5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.186 1.119 -5.814 1.00 0.00 H new ATOM 1458 N ILE A 92 6.626 -2.220 -2.555 1.00 0.00 N ATOM 1459 CA ILE A 92 5.212 -2.153 -2.123 1.00 0.00 C ATOM 1460 C ILE A 92 4.399 -1.224 -3.040 1.00 0.00 C ATOM 1461 O ILE A 92 4.968 -0.491 -3.852 1.00 0.00 O ATOM 1462 CB ILE A 92 5.058 -1.802 -0.617 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.286 -0.306 -0.341 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.966 -2.685 0.253 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.274 0.125 1.128 1.00 0.00 C ATOM 0 H ILE A 92 7.060 -1.300 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 92 4.794 -3.154 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 92 4.025 -2.014 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.246 -0.021 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.518 0.260 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.837 -2.417 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.700 -3.732 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.006 -2.533 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.445 1.199 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.307 -0.116 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.061 -0.401 1.668 1.00 0.00 H new ATOM 1477 N LYS A 93 3.071 -1.252 -2.906 1.00 0.00 N ATOM 1478 CA LYS A 93 2.127 -0.367 -3.605 1.00 0.00 C ATOM 1479 C LYS A 93 0.787 -0.209 -2.858 1.00 0.00 C ATOM 1480 O LYS A 93 0.449 -1.020 -1.990 1.00 0.00 O ATOM 1481 CB LYS A 93 1.881 -0.872 -5.048 1.00 0.00 C ATOM 1482 CG LYS A 93 1.053 -2.172 -5.115 1.00 0.00 C ATOM 1483 CD LYS A 93 0.594 -2.500 -6.540 1.00 0.00 C ATOM 1484 CE LYS A 93 -0.212 -3.807 -6.536 1.00 0.00 C ATOM 1485 NZ LYS A 93 -1.035 -3.959 -7.762 1.00 0.00 N ATOM 0 H LYS A 93 2.604 -1.914 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 93 2.588 0.620 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.367 -0.094 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.842 -1.038 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.649 -2.999 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.181 -2.078 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.016 -1.686 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.458 -2.596 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.470 -4.653 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.860 -3.830 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.259 -4.964 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.918 -3.419 -7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.506 -3.600 -8.582 1.00 0.00 H new ATOM 1499 N ARG A 94 0.004 0.798 -3.267 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.414 0.968 -2.913 1.00 0.00 C ATOM 1501 C ARG A 94 -2.288 0.476 -4.075 1.00 0.00 C ATOM 1502 O ARG A 94 -1.889 0.555 -5.239 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.741 2.440 -2.617 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.176 2.889 -1.265 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.574 4.324 -0.884 1.00 0.00 C ATOM 1506 NE ARG A 94 -3.011 4.444 -0.567 1.00 0.00 N ATOM 1507 CZ ARG A 94 -3.966 4.967 -1.325 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.743 5.418 -2.543 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -5.186 5.043 -0.849 1.00 0.00 N ATOM 0 H ARG A 94 0.350 1.542 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.617 0.385 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.333 3.069 -3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.822 2.580 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.522 2.206 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.089 2.816 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.987 4.645 -0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.329 4.997 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.304 4.083 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.804 5.373 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.509 5.812 -3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.389 4.703 0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.932 5.442 -1.419 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.494 0.010 -3.768 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.516 -0.392 -4.739 1.00 0.00 C ATOM 1525 C ASP A 95 -5.935 -0.243 -4.162 1.00 0.00 C ATOM 1526 O ASP A 95 -6.118 0.141 -3.005 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.263 -1.835 -5.228 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.377 -1.948 -6.753 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.436 -1.553 -7.297 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.412 -2.437 -7.393 1.00 0.00 O ATOM 0 H ASP A 95 -3.802 -0.104 -2.802 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.443 0.278 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.270 -2.157 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.980 -2.509 -4.759 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.945 -0.556 -4.975 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.372 -0.391 -4.667 1.00 0.00 C ATOM 1537 C ILE A 96 -9.136 -1.681 -4.976 1.00 0.00 C ATOM 1538 O ILE A 96 -8.905 -2.340 -5.991 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.956 0.786 -5.480 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.199 2.113 -5.263 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.452 0.994 -5.154 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.356 2.671 -3.850 1.00 0.00 C ATOM 0 H ILE A 96 -6.788 -0.947 -5.904 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.479 -0.172 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.837 0.508 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.140 1.958 -5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.559 2.851 -5.980 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.839 1.828 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.007 0.089 -5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.566 1.212 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.800 3.604 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.411 2.857 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.970 1.950 -3.129 1.00 0.00 H new ATOM 1554 N ILE A 97 -10.084 -2.014 -4.103 1.00 0.00 N ATOM 1555 CA ILE A 97 -11.044 -3.114 -4.300 1.00 0.00 C ATOM 1556 C ILE A 97 -12.328 -2.600 -4.968 1.00 0.00 C ATOM 1557 O ILE A 97 -12.840 -1.540 -4.611 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.382 -3.803 -2.967 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.144 -4.323 -2.217 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.366 -4.958 -3.196 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.536 -3.271 -1.281 1.00 0.00 C ATOM 0 H ILE A 97 -10.215 -1.521 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.576 -3.848 -4.955 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.838 -3.038 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.419 -5.204 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.392 -4.639 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.595 -5.435 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.284 -4.571 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.919 -5.689 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.666 -3.692 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.234 -2.399 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.276 -2.974 -0.538 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.878 -3.392 -5.891 1.00 0.00 N ATOM 1574 CA ASP A 98 -14.108 -3.073 -6.637 1.00 0.00 C ATOM 1575 C ASP A 98 -15.366 -3.842 -6.174 1.00 0.00 C ATOM 1576 O ASP A 98 -16.481 -3.396 -6.441 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.827 -3.299 -8.131 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.937 -2.751 -9.045 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.153 -1.515 -9.055 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.553 -3.550 -9.790 1.00 0.00 O ATOM 0 H ASP A 98 -12.476 -4.293 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.354 -2.030 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.882 -2.823 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.708 -4.367 -8.314 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.176 -4.955 -5.446 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.185 -5.861 -4.839 1.00 0.00 C ATOM 1587 C ILE A 99 -16.868 -6.756 -5.909 1.00 0.00 C ATOM 1588 O ILE A 99 -17.367 -6.238 -6.916 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.218 -5.107 -3.952 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.566 -4.154 -2.918 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.172 -6.073 -3.225 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.754 -4.837 -1.807 1.00 0.00 C ATOM 0 H ILE A 99 -14.230 -5.279 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.642 -6.523 -4.164 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.789 -4.497 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.912 -3.463 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.352 -3.557 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.875 -5.502 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.722 -6.663 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.596 -6.739 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.342 -4.080 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.402 -5.506 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.940 -5.410 -2.251 1.00 0.00 H new ATOM 1604 N PRO A 100 -16.903 -8.095 -5.723 1.00 0.00 N ATOM 1605 CA PRO A 100 -17.455 -9.034 -6.698 1.00 0.00 C ATOM 1606 C PRO A 100 -18.989 -9.049 -6.692 1.00 0.00 C ATOM 1607 O PRO A 100 -19.637 -8.568 -5.761 1.00 0.00 O ATOM 1608 CB PRO A 100 -16.881 -10.400 -6.306 1.00 0.00 C ATOM 1609 CG PRO A 100 -16.728 -10.291 -4.791 1.00 0.00 C ATOM 1610 CD PRO A 100 -16.335 -8.827 -4.598 1.00 0.00 C ATOM 0 HA PRO A 100 -17.183 -8.750 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -17.550 -11.214 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.926 -10.591 -6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -17.655 -10.533 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.964 -10.969 -4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.718 -8.444 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.251 -8.717 -4.571 1.00 0.00 H new ATOM 1618 N LYS A 101 -19.575 -9.674 -7.716 1.00 0.00 N ATOM 1619 CA LYS A 101 -21.031 -9.852 -7.861 1.00 0.00 C ATOM 1620 C LYS A 101 -21.683 -10.734 -6.770 1.00 0.00 C ATOM 1621 O LYS A 101 -22.906 -10.746 -6.628 1.00 0.00 O ATOM 1622 CB LYS A 101 -21.339 -10.355 -9.286 1.00 0.00 C ATOM 1623 CG LYS A 101 -20.800 -11.766 -9.584 1.00 0.00 C ATOM 1624 CD LYS A 101 -21.134 -12.183 -11.022 1.00 0.00 C ATOM 1625 CE LYS A 101 -20.588 -13.588 -11.306 1.00 0.00 C ATOM 1626 NZ LYS A 101 -20.890 -14.026 -12.694 1.00 0.00 N ATOM 0 H LYS A 101 -19.044 -10.081 -8.486 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.492 -8.876 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -22.419 -10.351 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -20.914 -9.656 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -19.720 -11.787 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -21.232 -12.481 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.214 -12.167 -11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -20.704 -11.469 -11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -19.510 -13.598 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -21.020 -14.296 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -20.505 -14.980 -12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -21.920 -14.041 -12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -20.456 -13.364 -13.369 1.00 0.00 H new ATOM 1640 N LYS A 102 -20.872 -11.437 -5.968 1.00 0.00 N ATOM 1641 CA LYS A 102 -21.297 -12.151 -4.753 1.00 0.00 C ATOM 1642 C LYS A 102 -21.382 -11.218 -3.520 1.00 0.00 C ATOM 1643 O LYS A 102 -22.224 -11.423 -2.643 1.00 0.00 O ATOM 1644 CB LYS A 102 -20.319 -13.325 -4.543 1.00 0.00 C ATOM 1645 CG LYS A 102 -20.758 -14.284 -3.421 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.791 -15.463 -3.227 1.00 0.00 C ATOM 1647 CE LYS A 102 -19.763 -16.404 -4.441 1.00 0.00 C ATOM 1648 NZ LYS A 102 -18.879 -17.576 -4.207 1.00 0.00 N ATOM 0 H LYS A 102 -19.873 -11.528 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 102 -22.311 -12.532 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -20.226 -13.884 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.331 -12.929 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -20.838 -13.729 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.752 -14.670 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.787 -15.080 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.083 -16.026 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.774 -16.748 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.417 -15.857 -5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.885 -18.189 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -17.909 -17.248 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.224 -18.112 -3.385 1.00 0.00 H new ATOM 1662 N GLY A 103 -20.544 -10.171 -3.478 1.00 0.00 N ATOM 1663 CA GLY A 103 -20.503 -9.151 -2.417 1.00 0.00 C ATOM 1664 C GLY A 103 -21.471 -7.990 -2.665 1.00 0.00 C ATOM 1665 O GLY A 103 -22.129 -7.537 -1.729 1.00 0.00 O ATOM 0 H GLY A 103 -19.851 -10.005 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -20.742 -9.618 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -19.489 -8.760 -2.335 1.00 0.00 H new ATOM 1669 N VAL A 104 -21.600 -7.542 -3.919 1.00 0.00 N ATOM 1670 CA VAL A 104 -22.634 -6.583 -4.351 1.00 0.00 C ATOM 1671 C VAL A 104 -23.988 -7.304 -4.388 1.00 0.00 C ATOM 1672 O VAL A 104 -24.178 -8.236 -5.165 1.00 0.00 O ATOM 1673 CB VAL A 104 -22.311 -5.955 -5.732 1.00 0.00 C ATOM 1674 CG1 VAL A 104 -23.415 -4.983 -6.183 1.00 0.00 C ATOM 1675 CG2 VAL A 104 -20.978 -5.184 -5.698 1.00 0.00 C ATOM 0 H VAL A 104 -20.983 -7.837 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 104 -22.665 -5.761 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 104 -22.242 -6.783 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -23.155 -4.562 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -24.361 -5.518 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.512 -4.179 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -20.780 -4.756 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -21.039 -4.385 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.170 -5.865 -5.430 1.00 0.00 H new ATOM 1685 N SER A 105 -24.925 -6.876 -3.540 1.00 0.00 N ATOM 1686 CA SER A 105 -26.250 -7.492 -3.363 1.00 0.00 C ATOM 1687 C SER A 105 -27.211 -6.567 -2.585 1.00 0.00 C ATOM 1688 O SER A 105 -26.784 -5.587 -1.962 1.00 0.00 O ATOM 1689 CB SER A 105 -26.110 -8.853 -2.653 1.00 0.00 C ATOM 1690 OG SER A 105 -27.301 -9.621 -2.777 1.00 0.00 O ATOM 0 H SER A 105 -24.782 -6.066 -2.937 1.00 0.00 H new ATOM 0 HA SER A 105 -26.682 -7.650 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 105 -25.272 -9.404 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 105 -25.884 -8.695 -1.599 1.00 0.00 H new ATOM 0 HG SER A 105 -27.185 -10.480 -2.320 1.00 0.00 H new ATOM 1696 N GLY A 106 -28.517 -6.868 -2.620 1.00 0.00 N ATOM 1697 CA GLY A 106 -29.576 -6.112 -1.936 1.00 0.00 C ATOM 1698 C GLY A 106 -29.774 -6.509 -0.461 1.00 0.00 C ATOM 1699 O GLY A 106 -29.162 -7.479 0.005 1.00 0.00 O ATOM 0 H GLY A 106 -28.876 -7.668 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -29.341 -5.049 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -30.515 -6.257 -2.470 1.00 0.00 H new ATOM 1703 N PRO A 107 -30.631 -5.777 0.280 1.00 0.00 N ATOM 1704 CA PRO A 107 -30.934 -6.044 1.686 1.00 0.00 C ATOM 1705 C PRO A 107 -31.849 -7.267 1.850 1.00 0.00 C ATOM 1706 O PRO A 107 -32.549 -7.676 0.923 1.00 0.00 O ATOM 1707 CB PRO A 107 -31.610 -4.765 2.195 1.00 0.00 C ATOM 1708 CG PRO A 107 -32.332 -4.242 0.954 1.00 0.00 C ATOM 1709 CD PRO A 107 -31.368 -4.604 -0.176 1.00 0.00 C ATOM 0 HA PRO A 107 -30.034 -6.283 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -32.305 -4.972 3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -30.882 -4.046 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -33.305 -4.715 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -32.505 -3.167 1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -31.910 -4.818 -1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -30.691 -3.777 -0.390 1.00 0.00 H new ATOM 1717 N SER A 108 -31.878 -7.832 3.059 1.00 0.00 N ATOM 1718 CA SER A 108 -32.680 -9.023 3.409 1.00 0.00 C ATOM 1719 C SER A 108 -34.208 -8.782 3.410 1.00 0.00 C ATOM 1720 O SER A 108 -34.992 -9.719 3.574 1.00 0.00 O ATOM 1721 CB SER A 108 -32.247 -9.554 4.787 1.00 0.00 C ATOM 1722 OG SER A 108 -30.840 -9.781 4.848 1.00 0.00 O ATOM 0 H SER A 108 -31.335 -7.472 3.844 1.00 0.00 H new ATOM 0 HA SER A 108 -32.485 -9.756 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 108 -32.534 -8.840 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 108 -32.775 -10.483 5.001 1.00 0.00 H new ATOM 0 HG SER A 108 -30.601 -10.116 5.737 1.00 0.00 H new ATOM 1728 N SER A 109 -34.651 -7.538 3.218 1.00 0.00 N ATOM 1729 CA SER A 109 -36.066 -7.129 3.189 1.00 0.00 C ATOM 1730 C SER A 109 -36.815 -7.523 1.895 1.00 0.00 C ATOM 1731 O SER A 109 -38.042 -7.386 1.828 1.00 0.00 O ATOM 1732 CB SER A 109 -36.165 -5.604 3.384 1.00 0.00 C ATOM 1733 OG SER A 109 -35.461 -5.173 4.547 1.00 0.00 O ATOM 0 H SER A 109 -34.014 -6.755 3.072 1.00 0.00 H new ATOM 0 HA SER A 109 -36.551 -7.668 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 109 -35.762 -5.098 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 109 -37.213 -5.315 3.465 1.00 0.00 H new ATOM 0 HG SER A 109 -35.544 -4.201 4.638 1.00 0.00 H new ATOM 1739 N GLY A 110 -36.103 -8.012 0.868 1.00 0.00 N ATOM 1740 CA GLY A 110 -36.666 -8.449 -0.420 1.00 0.00 C ATOM 1741 C GLY A 110 -35.610 -8.985 -1.387 1.00 0.00 C ATOM 1742 O GLY A 110 -35.200 -8.230 -2.296 1.00 0.00 O ATOM 1743 OXT GLY A 110 -35.210 -10.161 -1.235 1.00 0.00 O ATOM 0 H GLY A 110 -35.089 -8.118 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -37.411 -9.224 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -37.184 -7.611 -0.886 1.00 0.00 H new TER 1747 GLY A 110 HETATM 1748 PG ATP A 201 15.587 -14.790 6.665 1.00 0.00 P HETATM 1749 O1G ATP A 201 14.254 -14.495 7.223 1.00 0.00 O HETATM 1750 O2G ATP A 201 15.948 -16.228 6.707 1.00 0.00 O HETATM 1751 O3G ATP A 201 16.657 -13.903 7.166 1.00 0.00 O HETATM 1752 PB ATP A 201 15.090 -13.306 4.231 1.00 0.00 P HETATM 1753 O1B ATP A 201 15.382 -13.725 2.831 1.00 0.00 O HETATM 1754 O2B ATP A 201 15.771 -12.074 4.707 1.00 0.00 O HETATM 1755 O3B ATP A 201 15.471 -14.499 5.154 1.00 0.00 O HETATM 1756 PA ATP A 201 12.401 -13.569 3.560 1.00 0.00 P HETATM 1757 O1A ATP A 201 12.470 -15.046 3.462 1.00 0.00 O HETATM 1758 O2A ATP A 201 12.247 -12.790 2.309 1.00 0.00 O HETATM 1759 O3A ATP A 201 13.572 -13.009 4.395 1.00 0.00 O HETATM 1760 O5' ATP A 201 11.119 -13.210 4.455 1.00 0.00 O HETATM 1761 C5' ATP A 201 10.972 -13.718 5.776 1.00 0.00 C HETATM 1762 C4' ATP A 201 9.501 -13.948 6.160 1.00 0.00 C HETATM 1763 O4' ATP A 201 8.814 -12.702 6.270 1.00 0.00 O HETATM 1764 C3' ATP A 201 8.751 -14.810 5.131 1.00 0.00 C HETATM 1765 O3' ATP A 201 7.812 -15.655 5.798 1.00 0.00 O HETATM 1766 C2' ATP A 201 8.051 -13.743 4.279 1.00 0.00 C HETATM 1767 O2' ATP A 201 6.881 -14.209 3.607 1.00 0.00 O HETATM 1768 C1' ATP A 201 7.735 -12.691 5.345 1.00 0.00 C HETATM 1769 N9 ATP A 201 7.554 -11.338 4.781 1.00 0.00 N HETATM 1770 C8 ATP A 201 8.454 -10.563 4.087 1.00 0.00 C HETATM 1771 N7 ATP A 201 7.991 -9.401 3.706 1.00 0.00 N HETATM 1772 C5 ATP A 201 6.685 -9.403 4.225 1.00 0.00 C HETATM 1773 C6 ATP A 201 5.626 -8.463 4.272 1.00 0.00 C HETATM 1774 N6 ATP A 201 5.686 -7.257 3.751 1.00 0.00 N HETATM 1775 N1 ATP A 201 4.487 -8.727 4.911 1.00 0.00 N HETATM 1776 C2 ATP A 201 4.373 -9.911 5.495 1.00 0.00 C HETATM 1777 N3 ATP A 201 5.265 -10.895 5.542 1.00 0.00 N HETATM 1778 C4 ATP A 201 6.413 -10.575 4.880 1.00 0.00 C HETATM 0 HO3' ATP A 201 6.929 -15.552 5.386 1.00 0.00 H new HETATM 0 HO2' ATP A 201 6.489 -13.477 3.087 1.00 0.00 H new HETATM 0 HN62 ATP A 201 4.884 -6.630 3.822 1.00 0.00 H new HETATM 0 HN61 ATP A 201 6.534 -6.948 3.276 1.00 0.00 H new HETATM 0 H5'2 ATP A 201 11.518 -14.658 5.863 1.00 0.00 H new HETATM 0 H5'1 ATP A 201 11.423 -13.021 6.482 1.00 0.00 H new HETATM 0 H8 ATP A 201 9.471 -10.891 3.872 1.00 0.00 H new HETATM 0 H4' ATP A 201 9.515 -14.472 7.115 1.00 0.00 H new HETATM 0 H3' ATP A 201 9.381 -15.479 4.546 1.00 0.00 H new HETATM 0 H2' ATP A 201 8.658 -13.387 3.447 1.00 0.00 H new HETATM 0 H2 ATP A 201 3.427 -10.102 6.001 1.00 0.00 H new HETATM 0 H1' ATP A 201 6.788 -12.939 5.825 1.00 0.00 H new