USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 975 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1) USER MOD Set 1.2: A 97 ASN : amide:sc= 0.0228 K(o=1.2,f=-1.4) USER MOD Set 2.1: A 87 ASN : amide:sc= -0.758! C(o=0.22!,f=-3.9!) USER MOD Set 2.2: A 89 THR OG1 : rot 23:sc= 0.975 USER MOD Set 3.1: A 8 HIS : no HE2:sc= -0.676 K(o=-0.91,f=-4.1) USER MOD Set 3.2: A 14 TYR OH : rot 60:sc= 0.592 USER MOD Set 3.3: A 46 CYS SG : rot -164:sc= -1.13! USER MOD Set 3.4: A 62 HIS : no HE2:sc= 0.305 K(o=-0.91,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ 164:sc= 1.41 (180deg=1.17) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00721 USER MOD Single : A 3 MET CE :methyl 156:sc= -0.261 (180deg=-0.995) USER MOD Single : A 4 THR OG1 : rot 82:sc= 0.536 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -142:sc= -2.11! (180deg=-4.53!) USER MOD Single : A 23 MET CE :methyl -165:sc= -0.217 (180deg=-0.7) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 28 SER OG : rot 24:sc= 0.339 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.508 F(o=-2.3,f=-0.51) USER MOD Single : A 41 SER OG : rot -8:sc= -0.42 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HE2:sc= -0.559 K(o=-0.56,f=-1.5) USER MOD Single : A 54 ASN : amide:sc= -0.458 K(o=-0.46,f=-5.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0081 USER MOD Single : A 66 GLN :FLIP amide:sc= -6.39! C(o=-8.7!,f=-6.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -124:sc= 1.24 (180deg=0.177) USER MOD Single : A 75 CYS SG : rot -109:sc= -1.37 USER MOD Single : A 76 TYR OH : rot 26:sc= 0.286 USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -0.281 (180deg=-3.31!) USER MOD Single : A 83 TYR OH : rot 71:sc= 0.818 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= -2.27! C(o=-2.3!,f=-5.1!) USER MOD Single : A 92 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.7!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 105 GLN : amide:sc= -1.96! C(o=-2!,f=-6.1!) USER MOD Single : A 106 SER OG : rot 180:sc=-0.00496 USER MOD Single : A 119 LYS NZ :NH3+ -133:sc= 1.29 (180deg=0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.494 25.969 11.769 1.00 0.00 N ATOM 2 CA GLY A 1 8.441 26.736 11.062 1.00 0.00 C ATOM 3 C GLY A 1 7.578 25.848 10.192 1.00 0.00 C ATOM 4 O GLY A 1 7.509 24.639 10.409 1.00 0.00 O ATOM 0 H1 GLY A 1 10.217 26.624 12.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.070 25.449 12.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.934 25.295 11.110 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.814 27.248 11.792 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.906 27.506 10.446 1.00 0.00 H new ATOM 10 N SER A 2 6.936 26.439 9.191 1.00 0.00 N ATOM 11 CA SER A 2 6.054 25.700 8.294 1.00 0.00 C ATOM 12 C SER A 2 6.823 25.181 7.079 1.00 0.00 C ATOM 13 O SER A 2 6.410 25.395 5.936 1.00 0.00 O ATOM 14 CB SER A 2 4.891 26.598 7.860 1.00 0.00 C ATOM 15 OG SER A 2 5.363 27.844 7.374 1.00 0.00 O ATOM 0 H SER A 2 7.010 27.434 8.979 1.00 0.00 H new ATOM 0 HA SER A 2 5.654 24.836 8.825 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.311 26.098 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.221 26.763 8.703 1.00 0.00 H new ATOM 0 HG SER A 2 4.602 28.398 7.102 1.00 0.00 H new ATOM 21 N MET A 3 7.938 24.492 7.332 1.00 0.00 N ATOM 22 CA MET A 3 8.743 23.910 6.256 1.00 0.00 C ATOM 23 C MET A 3 7.873 23.009 5.382 1.00 0.00 C ATOM 24 O MET A 3 7.871 23.126 4.155 1.00 0.00 O ATOM 25 CB MET A 3 9.930 23.107 6.816 1.00 0.00 C ATOM 26 CG MET A 3 10.890 23.919 7.681 1.00 0.00 C ATOM 27 SD MET A 3 10.210 24.320 9.305 1.00 0.00 S ATOM 28 CE MET A 3 10.009 22.680 10.002 1.00 0.00 C ATOM 0 H MET A 3 8.303 24.324 8.269 1.00 0.00 H new ATOM 0 HA MET A 3 9.141 24.727 5.654 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.544 22.275 7.406 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.486 22.676 5.983 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.816 23.359 7.809 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.145 24.843 7.162 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.015 22.744 11.090 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.061 22.257 9.669 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.828 22.041 9.671 1.00 0.00 H new ATOM 38 N THR A 4 7.125 22.119 6.040 1.00 0.00 N ATOM 39 CA THR A 4 6.181 21.231 5.363 1.00 0.00 C ATOM 40 C THR A 4 6.895 20.402 4.283 1.00 0.00 C ATOM 41 O THR A 4 6.347 20.134 3.210 1.00 0.00 O ATOM 42 CB THR A 4 5.021 22.052 4.736 1.00 0.00 C ATOM 43 OG1 THR A 4 4.617 23.089 5.650 1.00 0.00 O ATOM 44 CG2 THR A 4 3.815 21.169 4.415 1.00 0.00 C ATOM 0 H THR A 4 7.158 21.995 7.052 1.00 0.00 H new ATOM 0 HA THR A 4 5.764 20.546 6.101 1.00 0.00 H new ATOM 0 HB THR A 4 5.384 22.486 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.224 23.854 5.566 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.024 21.778 3.978 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.109 20.394 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.451 20.704 5.331 1.00 0.00 H new ATOM 52 N GLU A 5 8.121 19.981 4.593 1.00 0.00 N ATOM 53 CA GLU A 5 8.963 19.275 3.633 1.00 0.00 C ATOM 54 C GLU A 5 8.493 17.833 3.423 1.00 0.00 C ATOM 55 O GLU A 5 9.066 16.889 3.967 1.00 0.00 O ATOM 56 CB GLU A 5 10.435 19.307 4.077 1.00 0.00 C ATOM 57 CG GLU A 5 11.067 20.697 4.023 1.00 0.00 C ATOM 58 CD GLU A 5 11.181 21.243 2.603 1.00 0.00 C ATOM 59 OE1 GLU A 5 12.178 20.930 1.916 1.00 0.00 O ATOM 60 OE2 GLU A 5 10.278 21.988 2.165 1.00 0.00 O ATOM 0 H GLU A 5 8.553 20.119 5.507 1.00 0.00 H new ATOM 0 HA GLU A 5 8.877 19.791 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.506 18.926 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.010 18.632 3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.472 21.385 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.059 20.657 4.472 1.00 0.00 H new ATOM 67 N GLU A 6 7.409 17.687 2.667 1.00 0.00 N ATOM 68 CA GLU A 6 6.975 16.387 2.165 1.00 0.00 C ATOM 69 C GLU A 6 7.164 16.375 0.652 1.00 0.00 C ATOM 70 O GLU A 6 7.955 15.588 0.133 1.00 0.00 O ATOM 71 CB GLU A 6 5.507 16.107 2.531 1.00 0.00 C ATOM 72 CG GLU A 6 5.271 15.890 4.023 1.00 0.00 C ATOM 73 CD GLU A 6 3.815 15.587 4.354 1.00 0.00 C ATOM 74 OE1 GLU A 6 3.385 14.427 4.167 1.00 0.00 O ATOM 75 OE2 GLU A 6 3.090 16.509 4.792 1.00 0.00 O ATOM 0 H GLU A 6 6.809 18.462 2.386 1.00 0.00 H new ATOM 0 HA GLU A 6 7.573 15.601 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.893 16.942 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.170 15.224 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.896 15.067 4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.585 16.780 4.569 1.00 0.00 H new ATOM 82 N THR A 7 6.419 17.268 -0.022 1.00 0.00 N ATOM 83 CA THR A 7 6.563 17.568 -1.455 1.00 0.00 C ATOM 84 C THR A 7 7.244 16.447 -2.255 1.00 0.00 C ATOM 85 O THR A 7 8.435 16.513 -2.575 1.00 0.00 O ATOM 86 CB THR A 7 7.301 18.922 -1.672 1.00 0.00 C ATOM 87 OG1 THR A 7 7.496 19.179 -3.074 1.00 0.00 O ATOM 88 CG2 THR A 7 8.648 18.962 -0.949 1.00 0.00 C ATOM 0 H THR A 7 5.683 17.814 0.426 1.00 0.00 H new ATOM 0 HA THR A 7 5.548 17.647 -1.844 1.00 0.00 H new ATOM 0 HB THR A 7 6.666 19.700 -1.248 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.960 20.035 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.128 19.924 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.491 18.828 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.287 18.162 -1.325 1.00 0.00 H new ATOM 96 N HIS A 8 6.474 15.415 -2.566 1.00 0.00 N ATOM 97 CA HIS A 8 6.966 14.282 -3.344 1.00 0.00 C ATOM 98 C HIS A 8 7.140 14.693 -4.808 1.00 0.00 C ATOM 99 O HIS A 8 6.435 15.591 -5.278 1.00 0.00 O ATOM 100 CB HIS A 8 5.964 13.126 -3.218 1.00 0.00 C ATOM 101 CG HIS A 8 6.358 11.861 -3.922 1.00 0.00 C ATOM 102 ND1 HIS A 8 7.130 10.876 -3.346 1.00 0.00 N ATOM 103 CD2 HIS A 8 6.054 11.413 -5.170 1.00 0.00 C ATOM 104 CE1 HIS A 8 7.270 9.888 -4.239 1.00 0.00 C ATOM 105 NE2 HIS A 8 6.635 10.163 -5.360 1.00 0.00 N ATOM 0 H HIS A 8 5.495 15.337 -2.289 1.00 0.00 H new ATOM 0 HA HIS A 8 7.936 13.959 -2.966 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.820 12.905 -2.160 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.002 13.456 -3.609 1.00 0.00 H new ATOM 0 HD1 HIS A 8 7.525 10.896 -2.406 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.457 11.943 -5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.831 8.982 -4.063 1.00 0.00 H new ATOM 113 N PRO A 9 8.112 14.096 -5.539 1.00 0.00 N ATOM 114 CA PRO A 9 8.252 14.314 -6.987 1.00 0.00 C ATOM 115 C PRO A 9 6.903 14.200 -7.704 1.00 0.00 C ATOM 116 O PRO A 9 6.395 13.095 -7.921 1.00 0.00 O ATOM 117 CB PRO A 9 9.208 13.197 -7.418 1.00 0.00 C ATOM 118 CG PRO A 9 10.056 12.953 -6.215 1.00 0.00 C ATOM 119 CD PRO A 9 9.167 13.197 -5.017 1.00 0.00 C ATOM 0 HA PRO A 9 8.620 15.310 -7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.664 12.299 -7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.811 13.498 -8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.443 11.934 -6.212 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.917 13.621 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.747 12.267 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.717 13.659 -4.198 1.00 0.00 H new ATOM 127 N ASP A 10 6.332 15.357 -8.047 1.00 0.00 N ATOM 128 CA ASP A 10 4.970 15.442 -8.572 1.00 0.00 C ATOM 129 C ASP A 10 3.984 14.961 -7.510 1.00 0.00 C ATOM 130 O ASP A 10 3.363 13.904 -7.641 1.00 0.00 O ATOM 131 CB ASP A 10 4.812 14.653 -9.885 1.00 0.00 C ATOM 132 CG ASP A 10 5.682 15.199 -11.005 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.846 14.760 -11.131 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.211 16.075 -11.764 1.00 0.00 O ATOM 0 H ASP A 10 6.801 16.259 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 10 4.755 16.484 -8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.067 13.608 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.768 14.679 -10.196 1.00 0.00 H new ATOM 139 N ASP A 11 3.876 15.755 -6.447 1.00 0.00 N ATOM 140 CA ASP A 11 3.062 15.430 -5.270 1.00 0.00 C ATOM 141 C ASP A 11 1.624 15.073 -5.653 1.00 0.00 C ATOM 142 O ASP A 11 0.980 14.246 -5.008 1.00 0.00 O ATOM 143 CB ASP A 11 3.072 16.631 -4.307 1.00 0.00 C ATOM 144 CG ASP A 11 2.418 16.335 -2.965 1.00 0.00 C ATOM 145 OD1 ASP A 11 3.101 15.778 -2.077 1.00 0.00 O ATOM 146 OD2 ASP A 11 1.227 16.682 -2.777 1.00 0.00 O ATOM 0 H ASP A 11 4.355 16.653 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 11 3.493 14.555 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.102 16.944 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.557 17.469 -4.777 1.00 0.00 H new ATOM 151 N ASP A 12 1.140 15.678 -6.729 1.00 0.00 N ATOM 152 CA ASP A 12 -0.238 15.486 -7.185 1.00 0.00 C ATOM 153 C ASP A 12 -0.470 14.086 -7.767 1.00 0.00 C ATOM 154 O ASP A 12 -1.592 13.749 -8.154 1.00 0.00 O ATOM 155 CB ASP A 12 -0.589 16.550 -8.235 1.00 0.00 C ATOM 156 CG ASP A 12 -0.508 17.965 -7.685 1.00 0.00 C ATOM 157 OD1 ASP A 12 0.617 18.495 -7.545 1.00 0.00 O ATOM 158 OD2 ASP A 12 -1.568 18.559 -7.392 1.00 0.00 O ATOM 0 H ASP A 12 1.685 16.314 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.887 15.589 -6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.089 16.455 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.596 16.367 -8.609 1.00 0.00 H new ATOM 163 N SER A 13 0.573 13.263 -7.811 1.00 0.00 N ATOM 164 CA SER A 13 0.489 11.948 -8.452 1.00 0.00 C ATOM 165 C SER A 13 0.039 10.863 -7.468 1.00 0.00 C ATOM 166 O SER A 13 -0.141 9.707 -7.852 1.00 0.00 O ATOM 167 CB SER A 13 1.844 11.576 -9.064 1.00 0.00 C ATOM 168 OG SER A 13 2.292 12.590 -9.946 1.00 0.00 O ATOM 0 H SER A 13 1.486 13.480 -7.412 1.00 0.00 H new ATOM 0 HA SER A 13 -0.261 12.010 -9.240 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.577 11.427 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.759 10.632 -9.602 1.00 0.00 H new ATOM 0 HG SER A 13 3.159 12.334 -10.325 1.00 0.00 H new ATOM 174 N TYR A 14 -0.140 11.234 -6.204 1.00 0.00 N ATOM 175 CA TYR A 14 -0.559 10.280 -5.179 1.00 0.00 C ATOM 176 C TYR A 14 -1.974 9.762 -5.428 1.00 0.00 C ATOM 177 O TYR A 14 -2.881 10.531 -5.745 1.00 0.00 O ATOM 178 CB TYR A 14 -0.490 10.907 -3.783 1.00 0.00 C ATOM 179 CG TYR A 14 0.900 10.923 -3.181 1.00 0.00 C ATOM 180 CD1 TYR A 14 1.478 9.754 -2.702 1.00 0.00 C ATOM 181 CD2 TYR A 14 1.624 12.102 -3.075 1.00 0.00 C ATOM 182 CE1 TYR A 14 2.734 9.761 -2.137 1.00 0.00 C ATOM 183 CE2 TYR A 14 2.878 12.116 -2.503 1.00 0.00 C ATOM 184 CZ TYR A 14 3.430 10.943 -2.038 1.00 0.00 C ATOM 185 OH TYR A 14 4.678 10.954 -1.457 1.00 0.00 O ATOM 0 H TYR A 14 -0.002 12.186 -5.864 1.00 0.00 H new ATOM 0 HA TYR A 14 0.133 9.439 -5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.863 11.930 -3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.157 10.359 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.933 8.824 -2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.199 13.023 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.170 8.842 -1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.426 13.043 -2.420 1.00 0.00 H new ATOM 0 HH TYR A 14 5.278 10.364 -1.959 1.00 0.00 H new ATOM 195 N ILE A 15 -2.142 8.452 -5.286 1.00 0.00 N ATOM 196 CA ILE A 15 -3.460 7.828 -5.306 1.00 0.00 C ATOM 197 C ILE A 15 -3.983 7.731 -3.876 1.00 0.00 C ATOM 198 O ILE A 15 -5.158 7.986 -3.605 1.00 0.00 O ATOM 199 CB ILE A 15 -3.409 6.411 -5.937 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.861 6.480 -7.373 1.00 0.00 C ATOM 201 CG2 ILE A 15 -4.791 5.751 -5.916 1.00 0.00 C ATOM 202 CD1 ILE A 15 -3.688 7.343 -8.309 1.00 0.00 C ATOM 0 H ILE A 15 -1.373 7.795 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.124 8.442 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.735 5.797 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.842 6.867 -7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.807 5.470 -7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.727 4.759 -6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.136 5.663 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.494 6.361 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.236 7.340 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.701 6.946 -8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.721 8.364 -7.928 1.00 0.00 H new ATOM 214 N VAL A 16 -3.079 7.376 -2.965 1.00 0.00 N ATOM 215 CA VAL A 16 -3.394 7.268 -1.546 1.00 0.00 C ATOM 216 C VAL A 16 -2.123 7.450 -0.713 1.00 0.00 C ATOM 217 O VAL A 16 -1.065 6.923 -1.059 1.00 0.00 O ATOM 218 CB VAL A 16 -4.056 5.902 -1.210 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.158 4.734 -1.622 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.414 5.818 0.275 1.00 0.00 C ATOM 0 H VAL A 16 -2.109 7.156 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.107 8.055 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.979 5.831 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.649 3.793 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.976 4.776 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.209 4.800 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.876 4.853 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.510 5.925 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.112 6.616 0.527 1.00 0.00 H new ATOM 230 N ARG A 17 -2.227 8.219 0.368 1.00 0.00 N ATOM 231 CA ARG A 17 -1.102 8.442 1.273 1.00 0.00 C ATOM 232 C ARG A 17 -1.605 8.668 2.693 1.00 0.00 C ATOM 233 O ARG A 17 -2.290 9.655 2.971 1.00 0.00 O ATOM 234 CB ARG A 17 -0.241 9.629 0.808 1.00 0.00 C ATOM 235 CG ARG A 17 -1.033 10.893 0.476 1.00 0.00 C ATOM 236 CD ARG A 17 -0.105 12.074 0.209 1.00 0.00 C ATOM 237 NE ARG A 17 -0.792 13.190 -0.446 1.00 0.00 N ATOM 238 CZ ARG A 17 -0.165 14.246 -0.969 1.00 0.00 C ATOM 239 NH1 ARG A 17 1.138 14.408 -0.790 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.848 15.160 -1.637 1.00 0.00 N ATOM 0 H ARG A 17 -3.084 8.701 0.640 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.474 7.551 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.484 9.864 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.325 9.328 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.658 10.714 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.702 11.133 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.322 12.417 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.725 11.745 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.810 13.158 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.668 13.724 -0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.611 15.217 -1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.856 15.059 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.367 15.966 -2.036 1.00 0.00 H new ATOM 254 N VAL A 18 -1.274 7.735 3.581 1.00 0.00 N ATOM 255 CA VAL A 18 -1.711 7.779 4.975 1.00 0.00 C ATOM 256 C VAL A 18 -0.671 7.103 5.873 1.00 0.00 C ATOM 257 O VAL A 18 0.431 6.776 5.421 1.00 0.00 O ATOM 258 CB VAL A 18 -3.090 7.084 5.174 1.00 0.00 C ATOM 259 CG1 VAL A 18 -4.220 7.903 4.552 1.00 0.00 C ATOM 260 CG2 VAL A 18 -3.071 5.673 4.594 1.00 0.00 C ATOM 0 H VAL A 18 -0.695 6.926 3.355 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.817 8.829 5.249 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.276 7.017 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.169 7.391 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.257 8.886 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.041 8.017 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.044 5.205 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.851 5.721 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.304 5.084 5.096 1.00 0.00 H new ATOM 270 N LYS A 19 -1.027 6.904 7.139 1.00 0.00 N ATOM 271 CA LYS A 19 -0.142 6.258 8.104 1.00 0.00 C ATOM 272 C LYS A 19 -0.318 4.742 8.063 1.00 0.00 C ATOM 273 O LYS A 19 -1.444 4.242 8.078 1.00 0.00 O ATOM 274 CB LYS A 19 -0.433 6.776 9.521 1.00 0.00 C ATOM 275 CG LYS A 19 0.444 6.144 10.600 1.00 0.00 C ATOM 276 CD LYS A 19 0.101 6.637 12.010 1.00 0.00 C ATOM 277 CE LYS A 19 -1.218 6.068 12.539 1.00 0.00 C ATOM 278 NZ LYS A 19 -2.404 6.577 11.798 1.00 0.00 N ATOM 0 H LYS A 19 -1.930 7.183 7.523 1.00 0.00 H new ATOM 0 HA LYS A 19 0.887 6.499 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.293 7.857 9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.480 6.586 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.334 5.060 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.490 6.366 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.907 6.363 12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.044 7.726 12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.192 4.980 12.471 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.319 6.319 13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.188 6.734 12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.162 7.473 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.692 5.879 11.083 1.00 0.00 H new ATOM 292 N ALA A 20 0.796 4.025 8.015 1.00 0.00 N ATOM 293 CA ALA A 20 0.786 2.567 8.037 1.00 0.00 C ATOM 294 C ALA A 20 2.135 2.047 8.525 1.00 0.00 C ATOM 295 O ALA A 20 3.020 2.837 8.866 1.00 0.00 O ATOM 296 CB ALA A 20 0.452 2.013 6.656 1.00 0.00 C ATOM 0 H ALA A 20 1.729 4.434 7.960 1.00 0.00 H new ATOM 0 HA ALA A 20 0.014 2.227 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.449 0.924 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.532 2.369 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.200 2.350 5.938 1.00 0.00 H new ATOM 302 N VAL A 21 2.287 0.725 8.563 1.00 0.00 N ATOM 303 CA VAL A 21 3.529 0.102 9.019 1.00 0.00 C ATOM 304 C VAL A 21 4.236 -0.606 7.867 1.00 0.00 C ATOM 305 O VAL A 21 3.779 -1.655 7.402 1.00 0.00 O ATOM 306 CB VAL A 21 3.268 -0.935 10.141 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.585 -1.477 10.700 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.404 -0.335 11.246 1.00 0.00 C ATOM 0 H VAL A 21 1.564 0.062 8.283 1.00 0.00 H new ATOM 0 HA VAL A 21 4.157 0.903 9.408 1.00 0.00 H new ATOM 0 HB VAL A 21 2.721 -1.772 9.708 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.375 -2.203 11.486 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.148 -1.960 9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.171 -0.655 11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.235 -1.082 12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.912 0.527 11.677 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.447 -0.021 10.830 1.00 0.00 H new ATOM 318 N VAL A 22 5.343 -0.032 7.404 1.00 0.00 N ATOM 319 CA VAL A 22 6.155 -0.661 6.366 1.00 0.00 C ATOM 320 C VAL A 22 6.939 -1.843 6.948 1.00 0.00 C ATOM 321 O VAL A 22 8.002 -1.674 7.551 1.00 0.00 O ATOM 322 CB VAL A 22 7.120 0.350 5.682 1.00 0.00 C ATOM 323 CG1 VAL A 22 6.343 1.311 4.786 1.00 0.00 C ATOM 324 CG2 VAL A 22 7.933 1.128 6.718 1.00 0.00 C ATOM 0 H VAL A 22 5.698 0.867 7.731 1.00 0.00 H new ATOM 0 HA VAL A 22 5.475 -1.027 5.597 1.00 0.00 H new ATOM 0 HB VAL A 22 7.816 -0.219 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.035 2.010 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.819 0.746 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.620 1.864 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.598 1.826 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.257 1.681 7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.524 0.432 7.313 1.00 0.00 H new ATOM 334 N MET A 23 6.386 -3.039 6.781 1.00 0.00 N ATOM 335 CA MET A 23 6.972 -4.253 7.343 1.00 0.00 C ATOM 336 C MET A 23 8.074 -4.791 6.437 1.00 0.00 C ATOM 337 O MET A 23 7.829 -5.125 5.275 1.00 0.00 O ATOM 338 CB MET A 23 5.887 -5.324 7.540 1.00 0.00 C ATOM 339 CG MET A 23 4.815 -4.933 8.548 1.00 0.00 C ATOM 340 SD MET A 23 5.423 -4.917 10.247 1.00 0.00 S ATOM 341 CE MET A 23 5.687 -6.669 10.530 1.00 0.00 C ATOM 0 H MET A 23 5.525 -3.195 6.257 1.00 0.00 H new ATOM 0 HA MET A 23 7.409 -4.005 8.310 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.413 -5.529 6.580 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.359 -6.251 7.866 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.429 -3.945 8.296 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.980 -5.630 8.472 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.803 -6.852 11.598 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.831 -7.231 10.157 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.588 -6.990 10.007 1.00 0.00 H new ATOM 351 N THR A 24 9.286 -4.866 6.971 1.00 0.00 N ATOM 352 CA THR A 24 10.415 -5.421 6.240 1.00 0.00 C ATOM 353 C THR A 24 10.572 -6.899 6.566 1.00 0.00 C ATOM 354 O THR A 24 9.914 -7.424 7.467 1.00 0.00 O ATOM 355 CB THR A 24 11.735 -4.682 6.565 1.00 0.00 C ATOM 356 OG1 THR A 24 12.817 -5.243 5.805 1.00 0.00 O ATOM 357 CG2 THR A 24 12.067 -4.761 8.048 1.00 0.00 C ATOM 0 H THR A 24 9.512 -4.547 7.913 1.00 0.00 H new ATOM 0 HA THR A 24 10.208 -5.292 5.178 1.00 0.00 H new ATOM 0 HB THR A 24 11.600 -3.634 6.297 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.647 -4.767 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.000 -4.232 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.264 -4.303 8.626 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.175 -5.805 8.342 1.00 0.00 H new ATOM 365 N ARG A 25 11.448 -7.562 5.829 1.00 0.00 N ATOM 366 CA ARG A 25 11.730 -8.973 6.045 1.00 0.00 C ATOM 367 C ARG A 25 13.242 -9.180 6.047 1.00 0.00 C ATOM 368 O ARG A 25 13.738 -10.287 5.817 1.00 0.00 O ATOM 369 CB ARG A 25 11.041 -9.811 4.954 1.00 0.00 C ATOM 370 CG ARG A 25 10.984 -11.303 5.261 1.00 0.00 C ATOM 371 CD ARG A 25 10.122 -12.059 4.253 1.00 0.00 C ATOM 372 NE ARG A 25 10.658 -11.986 2.890 1.00 0.00 N ATOM 373 CZ ARG A 25 10.695 -13.023 2.048 1.00 0.00 C ATOM 374 NH1 ARG A 25 10.218 -14.202 2.421 1.00 0.00 N ATOM 375 NH2 ARG A 25 11.201 -12.873 0.830 1.00 0.00 N ATOM 0 H ARG A 25 11.981 -7.141 5.068 1.00 0.00 H new ATOM 0 HA ARG A 25 11.337 -9.299 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.026 -9.441 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.568 -9.664 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.994 -11.714 5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.585 -11.452 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.047 -13.104 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.112 -11.650 4.265 1.00 0.00 H new ATOM 0 HE ARG A 25 11.024 -11.091 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.821 -14.320 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.248 -14.991 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.562 -11.966 0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.229 -13.665 0.188 1.00 0.00 H new ATOM 389 N ASP A 26 13.958 -8.081 6.310 1.00 0.00 N ATOM 390 CA ASP A 26 15.427 -8.065 6.365 1.00 0.00 C ATOM 391 C ASP A 26 16.019 -8.713 5.109 1.00 0.00 C ATOM 392 O ASP A 26 17.044 -9.395 5.157 1.00 0.00 O ATOM 393 CB ASP A 26 15.921 -8.763 7.647 1.00 0.00 C ATOM 394 CG ASP A 26 17.434 -8.698 7.830 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.998 -7.582 7.813 1.00 0.00 O ATOM 396 OD2 ASP A 26 18.070 -9.766 7.999 1.00 0.00 O ATOM 0 H ASP A 26 13.534 -7.172 6.492 1.00 0.00 H new ATOM 0 HA ASP A 26 15.768 -7.030 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.438 -8.304 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.610 -9.807 7.626 1.00 0.00 H new ATOM 401 N ASP A 27 15.353 -8.474 3.979 1.00 0.00 N ATOM 402 CA ASP A 27 15.768 -9.020 2.687 1.00 0.00 C ATOM 403 C ASP A 27 15.729 -10.552 2.713 1.00 0.00 C ATOM 404 O ASP A 27 16.736 -11.211 2.981 1.00 0.00 O ATOM 405 CB ASP A 27 17.164 -8.497 2.302 1.00 0.00 C ATOM 406 CG ASP A 27 17.658 -9.018 0.959 1.00 0.00 C ATOM 407 OD1 ASP A 27 17.121 -8.595 -0.087 1.00 0.00 O ATOM 408 OD2 ASP A 27 18.599 -9.844 0.940 1.00 0.00 O ATOM 0 H ASP A 27 14.513 -7.898 3.934 1.00 0.00 H new ATOM 0 HA ASP A 27 15.066 -8.684 1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.140 -7.408 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 27 17.876 -8.780 3.077 1.00 0.00 H new ATOM 413 N SER A 28 14.531 -11.096 2.483 1.00 0.00 N ATOM 414 CA SER A 28 14.290 -12.546 2.423 1.00 0.00 C ATOM 415 C SER A 28 14.872 -13.299 3.629 1.00 0.00 C ATOM 416 O SER A 28 15.176 -14.491 3.534 1.00 0.00 O ATOM 417 CB SER A 28 14.829 -13.123 1.098 1.00 0.00 C ATOM 418 OG SER A 28 16.174 -12.737 0.858 1.00 0.00 O ATOM 0 H SER A 28 13.690 -10.539 2.331 1.00 0.00 H new ATOM 0 HA SER A 28 13.211 -12.693 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.763 -14.211 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.202 -12.784 0.273 1.00 0.00 H new ATOM 0 HG SER A 28 16.610 -12.524 1.709 1.00 0.00 H new ATOM 424 N SER A 29 14.987 -12.618 4.768 1.00 0.00 N ATOM 425 CA SER A 29 15.550 -13.229 5.971 1.00 0.00 C ATOM 426 C SER A 29 14.599 -14.281 6.548 1.00 0.00 C ATOM 427 O SER A 29 15.039 -15.306 7.071 1.00 0.00 O ATOM 428 CB SER A 29 15.854 -12.153 7.019 1.00 0.00 C ATOM 429 OG SER A 29 16.492 -12.700 8.164 1.00 0.00 O ATOM 0 H SER A 29 14.699 -11.646 4.883 1.00 0.00 H new ATOM 0 HA SER A 29 16.480 -13.727 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.491 -11.386 6.579 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.927 -11.664 7.318 1.00 0.00 H new ATOM 0 HG SER A 29 16.672 -11.986 8.810 1.00 0.00 H new ATOM 435 N GLY A 30 13.296 -14.018 6.458 1.00 0.00 N ATOM 436 CA GLY A 30 12.305 -14.965 6.953 1.00 0.00 C ATOM 437 C GLY A 30 11.032 -14.284 7.419 1.00 0.00 C ATOM 438 O GLY A 30 10.122 -14.050 6.623 1.00 0.00 O ATOM 0 H GLY A 30 12.908 -13.167 6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.064 -15.679 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.732 -15.534 7.779 1.00 0.00 H new ATOM 442 N GLY A 31 10.975 -13.953 8.706 1.00 0.00 N ATOM 443 CA GLY A 31 9.794 -13.320 9.269 1.00 0.00 C ATOM 444 C GLY A 31 9.759 -11.822 9.023 1.00 0.00 C ATOM 445 O GLY A 31 10.785 -11.217 8.692 1.00 0.00 O ATOM 0 H GLY A 31 11.730 -14.113 9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.902 -13.776 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.762 -13.509 10.342 1.00 0.00 H new ATOM 449 N TRP A 32 8.581 -11.225 9.190 1.00 0.00 N ATOM 450 CA TRP A 32 8.393 -9.792 8.975 1.00 0.00 C ATOM 451 C TRP A 32 8.556 -9.022 10.282 1.00 0.00 C ATOM 452 O TRP A 32 8.225 -9.529 11.359 1.00 0.00 O ATOM 453 CB TRP A 32 7.003 -9.510 8.385 1.00 0.00 C ATOM 454 CG TRP A 32 6.734 -10.235 7.099 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.210 -11.487 6.954 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.976 -9.747 5.778 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.108 -11.802 5.622 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.571 -10.752 4.880 1.00 0.00 C ATOM 459 CE3 TRP A 32 7.492 -8.556 5.266 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.666 -10.601 3.501 1.00 0.00 C ATOM 461 CZ3 TRP A 32 7.587 -8.408 3.900 1.00 0.00 C ATOM 462 CH2 TRP A 32 7.175 -9.425 3.031 1.00 0.00 C ATOM 0 H TRP A 32 7.735 -11.717 9.476 1.00 0.00 H new ATOM 0 HA TRP A 32 9.155 -9.459 8.270 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.244 -9.791 9.116 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.901 -8.438 8.216 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.919 -12.135 7.768 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.745 -12.678 5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.811 -7.765 5.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.349 -11.384 2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 7.986 -7.491 3.492 1.00 0.00 H new ATOM 0 HH2 TRP A 32 7.262 -9.276 1.965 1.00 0.00 H new ATOM 473 N PHE A 33 9.061 -7.796 10.179 1.00 0.00 N ATOM 474 CA PHE A 33 9.213 -6.913 11.331 1.00 0.00 C ATOM 475 C PHE A 33 9.243 -5.455 10.869 1.00 0.00 C ATOM 476 O PHE A 33 9.646 -5.169 9.741 1.00 0.00 O ATOM 477 CB PHE A 33 10.490 -7.263 12.121 1.00 0.00 C ATOM 478 CG PHE A 33 11.786 -7.016 11.379 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.130 -7.774 10.268 1.00 0.00 C ATOM 480 CD2 PHE A 33 12.672 -6.036 11.810 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.320 -7.558 9.605 1.00 0.00 C ATOM 482 CE2 PHE A 33 13.867 -5.820 11.152 1.00 0.00 C ATOM 483 CZ PHE A 33 14.191 -6.581 10.048 1.00 0.00 C ATOM 0 H PHE A 33 9.375 -7.388 9.299 1.00 0.00 H new ATOM 0 HA PHE A 33 8.360 -7.052 11.995 1.00 0.00 H new ATOM 0 HB2 PHE A 33 10.500 -6.682 13.043 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.446 -8.314 12.407 1.00 0.00 H new ATOM 0 HD1 PHE A 33 11.457 -8.543 9.918 1.00 0.00 H new ATOM 0 HD2 PHE A 33 12.423 -5.435 12.672 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.571 -8.153 8.739 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.547 -5.057 11.501 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.124 -6.413 9.531 1.00 0.00 H new ATOM 493 N PRO A 34 8.778 -4.513 11.711 1.00 0.00 N ATOM 494 CA PRO A 34 8.820 -3.079 11.395 1.00 0.00 C ATOM 495 C PRO A 34 10.255 -2.569 11.248 1.00 0.00 C ATOM 496 O PRO A 34 11.143 -2.958 12.012 1.00 0.00 O ATOM 497 CB PRO A 34 8.127 -2.416 12.601 1.00 0.00 C ATOM 498 CG PRO A 34 7.355 -3.514 13.255 1.00 0.00 C ATOM 499 CD PRO A 34 8.153 -4.765 13.021 1.00 0.00 C ATOM 0 HA PRO A 34 8.336 -2.855 10.445 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.856 -1.984 13.286 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.470 -1.607 12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.229 -3.323 14.321 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.357 -3.600 12.826 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.898 -4.921 13.801 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.519 -5.652 13.003 1.00 0.00 H new ATOM 507 N GLN A 35 10.474 -1.700 10.262 1.00 0.00 N ATOM 508 CA GLN A 35 11.796 -1.131 10.004 1.00 0.00 C ATOM 509 C GLN A 35 11.856 0.321 10.470 1.00 0.00 C ATOM 510 O GLN A 35 10.956 1.110 10.172 1.00 0.00 O ATOM 511 CB GLN A 35 12.135 -1.234 8.509 1.00 0.00 C ATOM 512 CG GLN A 35 11.058 -0.662 7.591 1.00 0.00 C ATOM 513 CD GLN A 35 11.303 -0.959 6.123 1.00 0.00 C ATOM 514 OE1 GLN A 35 10.229 -1.130 5.368 1.00 0.00 O flip ATOM 515 NE2 GLN A 35 12.445 -1.057 5.674 1.00 0.00 N flip ATOM 0 H GLN A 35 9.748 -1.373 9.625 1.00 0.00 H new ATOM 0 HA GLN A 35 12.535 -1.700 10.568 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.073 -0.711 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.297 -2.281 8.254 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.089 -1.069 7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.005 0.417 7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.248 -0.918 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.588 -1.277 4.688 1.00 0.00 H new ATOM 524 N GLU A 36 12.913 0.647 11.213 1.00 0.00 N ATOM 525 CA GLU A 36 13.136 1.989 11.757 1.00 0.00 C ATOM 526 C GLU A 36 12.044 2.363 12.766 1.00 0.00 C ATOM 527 O GLU A 36 12.287 2.370 13.976 1.00 0.00 O ATOM 528 CB GLU A 36 13.243 3.032 10.630 1.00 0.00 C ATOM 529 CG GLU A 36 13.598 4.439 11.112 1.00 0.00 C ATOM 530 CD GLU A 36 14.837 4.469 11.996 1.00 0.00 C ATOM 531 OE1 GLU A 36 15.933 4.096 11.520 1.00 0.00 O ATOM 532 OE2 GLU A 36 14.720 4.871 13.174 1.00 0.00 O ATOM 0 H GLU A 36 13.646 -0.018 11.457 1.00 0.00 H new ATOM 0 HA GLU A 36 14.087 1.982 12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.998 2.703 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.294 3.072 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.759 5.083 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.754 4.852 11.664 1.00 0.00 H new ATOM 539 N GLY A 37 10.843 2.646 12.273 1.00 0.00 N ATOM 540 CA GLY A 37 9.739 3.006 13.144 1.00 0.00 C ATOM 541 C GLY A 37 8.405 2.560 12.580 1.00 0.00 C ATOM 542 O GLY A 37 7.929 3.111 11.585 1.00 0.00 O ATOM 0 H GLY A 37 10.614 2.632 11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.888 2.554 14.125 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.729 4.086 13.289 1.00 0.00 H new ATOM 546 N GLY A 38 7.801 1.560 13.217 1.00 0.00 N ATOM 547 CA GLY A 38 6.535 1.022 12.752 1.00 0.00 C ATOM 548 C GLY A 38 5.342 1.732 13.363 1.00 0.00 C ATOM 549 O GLY A 38 4.198 1.326 13.156 1.00 0.00 O ATOM 0 H GLY A 38 8.170 1.110 14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.486 1.105 11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.485 -0.040 12.994 1.00 0.00 H new ATOM 553 N GLY A 39 5.608 2.786 14.127 1.00 0.00 N ATOM 554 CA GLY A 39 4.538 3.560 14.730 1.00 0.00 C ATOM 555 C GLY A 39 3.948 4.558 13.756 1.00 0.00 C ATOM 556 O GLY A 39 2.727 4.737 13.695 1.00 0.00 O ATOM 0 H GLY A 39 6.548 3.119 14.340 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.755 2.887 15.080 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.919 4.087 15.605 1.00 0.00 H new ATOM 560 N ILE A 40 4.821 5.202 12.987 1.00 0.00 N ATOM 561 CA ILE A 40 4.408 6.197 12.004 1.00 0.00 C ATOM 562 C ILE A 40 5.287 6.120 10.751 1.00 0.00 C ATOM 563 O ILE A 40 6.358 6.726 10.679 1.00 0.00 O ATOM 564 CB ILE A 40 4.442 7.637 12.606 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.219 8.713 11.523 1.00 0.00 C ATOM 566 CG2 ILE A 40 5.753 7.888 13.348 1.00 0.00 C ATOM 567 CD1 ILE A 40 2.857 8.663 10.864 1.00 0.00 C ATOM 0 H ILE A 40 5.829 5.050 13.027 1.00 0.00 H new ATOM 0 HA ILE A 40 3.379 5.975 11.721 1.00 0.00 H new ATOM 0 HB ILE A 40 3.621 7.709 13.320 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.356 9.697 11.972 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.985 8.603 10.755 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.752 8.898 13.758 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.856 7.167 14.159 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.589 7.778 12.657 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.785 9.453 10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.721 7.695 10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.083 8.805 11.618 1.00 0.00 H new ATOM 579 N SER A 41 4.848 5.334 9.776 1.00 0.00 N ATOM 580 CA SER A 41 5.508 5.283 8.478 1.00 0.00 C ATOM 581 C SER A 41 4.649 6.013 7.446 1.00 0.00 C ATOM 582 O SER A 41 3.496 5.641 7.215 1.00 0.00 O ATOM 583 CB SER A 41 5.739 3.827 8.049 1.00 0.00 C ATOM 584 OG SER A 41 6.453 3.100 9.040 1.00 0.00 O ATOM 0 H SER A 41 4.036 4.722 9.860 1.00 0.00 H new ATOM 0 HA SER A 41 6.479 5.772 8.550 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.779 3.345 7.863 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.293 3.806 7.111 1.00 0.00 H new ATOM 0 HG SER A 41 6.762 3.715 9.738 1.00 0.00 H new ATOM 590 N ARG A 42 5.199 7.066 6.845 1.00 0.00 N ATOM 591 CA ARG A 42 4.477 7.840 5.845 1.00 0.00 C ATOM 592 C ARG A 42 4.474 7.080 4.519 1.00 0.00 C ATOM 593 O ARG A 42 5.396 7.197 3.708 1.00 0.00 O ATOM 594 CB ARG A 42 5.107 9.245 5.741 1.00 0.00 C ATOM 595 CG ARG A 42 4.930 9.983 4.413 1.00 0.00 C ATOM 596 CD ARG A 42 3.475 10.156 3.989 1.00 0.00 C ATOM 597 NE ARG A 42 3.355 11.113 2.882 1.00 0.00 N ATOM 598 CZ ARG A 42 4.018 11.033 1.720 1.00 0.00 C ATOM 599 NH1 ARG A 42 4.771 9.974 1.430 1.00 0.00 N ATOM 600 NH2 ARG A 42 3.908 12.012 0.836 1.00 0.00 N ATOM 0 H ARG A 42 6.143 7.401 7.035 1.00 0.00 H new ATOM 0 HA ARG A 42 3.434 7.977 6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.687 9.865 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.175 9.154 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.395 10.966 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.463 9.439 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.065 9.193 3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.885 10.502 4.838 1.00 0.00 H new ATOM 0 HE ARG A 42 2.718 11.900 3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.850 9.207 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.269 9.930 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.321 12.821 1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.410 11.958 -0.050 1.00 0.00 H new ATOM 614 N VAL A 43 3.445 6.255 4.340 1.00 0.00 N ATOM 615 CA VAL A 43 3.314 5.411 3.158 1.00 0.00 C ATOM 616 C VAL A 43 2.446 6.097 2.111 1.00 0.00 C ATOM 617 O VAL A 43 1.268 6.379 2.352 1.00 0.00 O ATOM 618 CB VAL A 43 2.697 4.032 3.509 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.684 3.107 2.290 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.444 3.388 4.678 1.00 0.00 C ATOM 0 H VAL A 43 2.681 6.154 5.009 1.00 0.00 H new ATOM 0 HA VAL A 43 4.316 5.251 2.759 1.00 0.00 H new ATOM 0 HB VAL A 43 1.663 4.193 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.246 2.148 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.092 3.561 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.705 2.953 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.995 2.422 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.491 3.247 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.379 4.036 5.552 1.00 0.00 H new ATOM 630 N GLY A 44 3.033 6.373 0.954 1.00 0.00 N ATOM 631 CA GLY A 44 2.308 7.016 -0.118 1.00 0.00 C ATOM 632 C GLY A 44 2.454 6.271 -1.428 1.00 0.00 C ATOM 633 O GLY A 44 3.563 6.116 -1.940 1.00 0.00 O ATOM 0 H GLY A 44 4.007 6.160 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.253 7.081 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.670 8.037 -0.239 1.00 0.00 H new ATOM 637 N VAL A 45 1.337 5.793 -1.961 1.00 0.00 N ATOM 638 CA VAL A 45 1.324 5.115 -3.251 1.00 0.00 C ATOM 639 C VAL A 45 0.947 6.109 -4.348 1.00 0.00 C ATOM 640 O VAL A 45 -0.194 6.582 -4.404 1.00 0.00 O ATOM 641 CB VAL A 45 0.328 3.926 -3.261 1.00 0.00 C ATOM 642 CG1 VAL A 45 0.357 3.204 -4.610 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.634 2.960 -2.116 1.00 0.00 C ATOM 0 H VAL A 45 0.422 5.863 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 45 2.323 4.718 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.678 4.320 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.349 2.374 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.080 3.900 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.361 2.823 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.075 2.132 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.647 2.573 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.548 3.485 -1.164 1.00 0.00 H new ATOM 653 N CYS A 46 1.913 6.444 -5.194 1.00 0.00 N ATOM 654 CA CYS A 46 1.694 7.391 -6.281 1.00 0.00 C ATOM 655 C CYS A 46 1.671 6.669 -7.625 1.00 0.00 C ATOM 656 O CYS A 46 2.347 5.653 -7.808 1.00 0.00 O ATOM 657 CB CYS A 46 2.789 8.468 -6.265 1.00 0.00 C ATOM 658 SG CYS A 46 4.472 7.811 -6.250 1.00 0.00 S ATOM 0 H CYS A 46 2.861 6.072 -5.148 1.00 0.00 H new ATOM 0 HA CYS A 46 0.726 7.872 -6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.668 9.107 -7.140 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.649 9.099 -5.388 1.00 0.00 H new ATOM 0 HG CYS A 46 5.301 8.749 -5.901 1.00 0.00 H new ATOM 664 N LYS A 47 0.873 7.183 -8.554 1.00 0.00 N ATOM 665 CA LYS A 47 0.807 6.640 -9.903 1.00 0.00 C ATOM 666 C LYS A 47 1.616 7.547 -10.829 1.00 0.00 C ATOM 667 O LYS A 47 1.121 8.571 -11.301 1.00 0.00 O ATOM 668 CB LYS A 47 -0.661 6.529 -10.362 1.00 0.00 C ATOM 669 CG LYS A 47 -0.915 5.488 -11.455 1.00 0.00 C ATOM 670 CD LYS A 47 -0.443 5.941 -12.833 1.00 0.00 C ATOM 671 CE LYS A 47 -0.610 4.835 -13.868 1.00 0.00 C ATOM 672 NZ LYS A 47 -0.326 5.310 -15.246 1.00 0.00 N ATOM 0 H LYS A 47 0.259 7.981 -8.394 1.00 0.00 H new ATOM 0 HA LYS A 47 1.230 5.636 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.280 6.286 -9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.988 7.503 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.407 4.560 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.981 5.267 -11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.009 6.820 -13.143 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.604 6.238 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.058 4.009 -13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.627 4.447 -13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.452 4.525 -15.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.980 6.081 -15.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.653 5.657 -15.299 1.00 0.00 H new ATOM 686 N VAL A 48 2.873 7.175 -11.048 1.00 0.00 N ATOM 687 CA VAL A 48 3.805 8.007 -11.801 1.00 0.00 C ATOM 688 C VAL A 48 3.465 8.019 -13.289 1.00 0.00 C ATOM 689 O VAL A 48 3.059 7.001 -13.862 1.00 0.00 O ATOM 690 CB VAL A 48 5.270 7.541 -11.604 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.682 7.661 -10.136 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.460 6.110 -12.105 1.00 0.00 C ATOM 0 H VAL A 48 3.271 6.298 -10.713 1.00 0.00 H new ATOM 0 HA VAL A 48 3.707 9.020 -11.412 1.00 0.00 H new ATOM 0 HB VAL A 48 5.915 8.192 -12.194 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.714 7.329 -10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.597 8.700 -9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.029 7.040 -9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.496 5.807 -11.956 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.802 5.440 -11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.217 6.061 -13.166 1.00 0.00 H new ATOM 702 N MET A 49 3.630 9.184 -13.902 1.00 0.00 N ATOM 703 CA MET A 49 3.364 9.366 -15.323 1.00 0.00 C ATOM 704 C MET A 49 4.668 9.222 -16.106 1.00 0.00 C ATOM 705 O MET A 49 5.730 9.012 -15.516 1.00 0.00 O ATOM 706 CB MET A 49 2.732 10.745 -15.563 1.00 0.00 C ATOM 707 CG MET A 49 1.505 11.013 -14.697 1.00 0.00 C ATOM 708 SD MET A 49 0.167 9.834 -14.992 1.00 0.00 S ATOM 709 CE MET A 49 -0.943 10.226 -13.638 1.00 0.00 C ATOM 0 H MET A 49 3.952 10.028 -13.429 1.00 0.00 H new ATOM 0 HA MET A 49 2.664 8.605 -15.667 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.478 11.516 -15.370 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.451 10.829 -16.613 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.792 10.974 -13.646 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.143 12.023 -14.891 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.819 9.579 -13.686 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.429 10.071 -12.689 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.257 11.267 -13.715 1.00 0.00 H new ATOM 719 N HIS A 50 4.595 9.336 -17.427 1.00 0.00 N ATOM 720 CA HIS A 50 5.780 9.185 -18.270 1.00 0.00 C ATOM 721 C HIS A 50 5.945 10.393 -19.194 1.00 0.00 C ATOM 722 O HIS A 50 5.060 10.691 -19.999 1.00 0.00 O ATOM 723 CB HIS A 50 5.710 7.881 -19.088 1.00 0.00 C ATOM 724 CG HIS A 50 4.596 7.823 -20.095 1.00 0.00 C ATOM 725 ND1 HIS A 50 4.775 7.477 -21.416 1.00 0.00 N ATOM 726 CD2 HIS A 50 3.265 8.062 -19.950 1.00 0.00 C ATOM 727 CE1 HIS A 50 3.582 7.516 -22.020 1.00 0.00 C ATOM 728 NE2 HIS A 50 2.631 7.865 -21.172 1.00 0.00 N ATOM 0 H HIS A 50 3.734 9.531 -17.937 1.00 0.00 H new ATOM 0 HA HIS A 50 6.652 9.131 -17.619 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.658 7.745 -19.609 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.601 7.043 -18.399 1.00 0.00 H new ATOM 0 HD1 HIS A 50 5.662 7.234 -21.857 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.778 8.358 -19.032 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.418 7.292 -23.064 1.00 0.00 H new ATOM 736 N PRO A 51 7.063 11.135 -19.064 1.00 0.00 N ATOM 737 CA PRO A 51 7.387 12.238 -19.977 1.00 0.00 C ATOM 738 C PRO A 51 7.643 11.713 -21.389 1.00 0.00 C ATOM 739 O PRO A 51 7.237 12.321 -22.383 1.00 0.00 O ATOM 740 CB PRO A 51 8.665 12.856 -19.377 1.00 0.00 C ATOM 741 CG PRO A 51 8.741 12.327 -17.981 1.00 0.00 C ATOM 742 CD PRO A 51 8.089 10.973 -18.018 1.00 0.00 C ATOM 0 HA PRO A 51 6.577 12.962 -20.068 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.546 12.574 -19.953 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.616 13.945 -19.383 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.776 12.253 -17.647 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.227 12.989 -17.284 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.802 10.187 -18.268 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.649 10.709 -17.056 1.00 0.00 H new ATOM 750 N GLU A 52 8.315 10.569 -21.447 1.00 0.00 N ATOM 751 CA GLU A 52 8.589 9.866 -22.694 1.00 0.00 C ATOM 752 C GLU A 52 8.999 8.434 -22.347 1.00 0.00 C ATOM 753 O GLU A 52 9.717 8.217 -21.367 1.00 0.00 O ATOM 754 CB GLU A 52 9.700 10.585 -23.492 1.00 0.00 C ATOM 755 CG GLU A 52 9.530 10.532 -25.014 1.00 0.00 C ATOM 756 CD GLU A 52 9.635 9.129 -25.595 1.00 0.00 C ATOM 757 OE1 GLU A 52 10.763 8.693 -25.907 1.00 0.00 O ATOM 758 OE2 GLU A 52 8.590 8.463 -25.763 1.00 0.00 O ATOM 0 H GLU A 52 8.688 10.099 -20.622 1.00 0.00 H new ATOM 0 HA GLU A 52 7.700 9.853 -23.324 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.736 11.629 -23.180 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.661 10.142 -23.231 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.559 10.952 -25.277 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.287 11.165 -25.477 1.00 0.00 H new ATOM 765 N GLY A 53 8.522 7.467 -23.119 1.00 0.00 N ATOM 766 CA GLY A 53 8.786 6.069 -22.820 1.00 0.00 C ATOM 767 C GLY A 53 7.536 5.359 -22.336 1.00 0.00 C ATOM 768 O GLY A 53 6.980 5.713 -21.296 1.00 0.00 O ATOM 0 H GLY A 53 7.954 7.625 -23.951 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.167 5.571 -23.712 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.563 5.999 -22.059 1.00 0.00 H new ATOM 772 N ASN A 54 7.100 4.357 -23.091 1.00 0.00 N ATOM 773 CA ASN A 54 5.846 3.650 -22.815 1.00 0.00 C ATOM 774 C ASN A 54 5.851 2.997 -21.430 1.00 0.00 C ATOM 775 O ASN A 54 4.841 3.015 -20.728 1.00 0.00 O ATOM 776 CB ASN A 54 5.588 2.585 -23.893 1.00 0.00 C ATOM 777 CG ASN A 54 6.673 1.517 -23.947 1.00 0.00 C ATOM 778 OD1 ASN A 54 7.837 1.778 -23.634 1.00 0.00 O ATOM 779 ND2 ASN A 54 6.303 0.309 -24.344 1.00 0.00 N ATOM 0 H ASN A 54 7.600 4.010 -23.909 1.00 0.00 H new ATOM 0 HA ASN A 54 5.045 4.389 -22.832 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.626 2.109 -23.702 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.516 3.071 -24.866 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.990 -0.443 -24.399 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.331 0.130 -24.595 1.00 0.00 H new ATOM 786 N GLY A 55 6.994 2.437 -21.042 1.00 0.00 N ATOM 787 CA GLY A 55 7.084 1.691 -19.794 1.00 0.00 C ATOM 788 C GLY A 55 7.627 2.512 -18.637 1.00 0.00 C ATOM 789 O GLY A 55 8.081 1.953 -17.638 1.00 0.00 O ATOM 0 H GLY A 55 7.865 2.486 -21.571 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.095 1.317 -19.531 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.724 0.822 -19.945 1.00 0.00 H new ATOM 793 N ARG A 56 7.585 3.835 -18.765 1.00 0.00 N ATOM 794 CA ARG A 56 8.067 4.722 -17.703 1.00 0.00 C ATOM 795 C ARG A 56 6.924 5.137 -16.778 1.00 0.00 C ATOM 796 O ARG A 56 7.150 5.731 -15.722 1.00 0.00 O ATOM 797 CB ARG A 56 8.751 5.960 -18.304 1.00 0.00 C ATOM 798 CG ARG A 56 10.014 5.638 -19.098 1.00 0.00 C ATOM 799 CD ARG A 56 11.047 4.910 -18.243 1.00 0.00 C ATOM 800 NE ARG A 56 12.270 4.604 -18.990 1.00 0.00 N ATOM 801 CZ ARG A 56 13.042 3.539 -18.755 1.00 0.00 C ATOM 802 NH1 ARG A 56 12.701 2.656 -17.825 1.00 0.00 N ATOM 803 NH2 ARG A 56 14.151 3.357 -19.457 1.00 0.00 N ATOM 0 H ARG A 56 7.225 4.318 -19.588 1.00 0.00 H new ATOM 0 HA ARG A 56 8.800 4.175 -17.111 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.044 6.474 -18.955 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.004 6.651 -17.500 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.755 5.022 -19.959 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.446 6.561 -19.484 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.296 5.524 -17.377 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.614 3.984 -17.864 1.00 0.00 H new ATOM 0 HE ARG A 56 12.549 5.243 -19.735 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.846 2.788 -17.285 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.294 1.845 -17.650 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.415 4.030 -20.177 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.740 2.544 -19.278 1.00 0.00 H new ATOM 817 N SER A 57 5.696 4.817 -17.182 1.00 0.00 N ATOM 818 CA SER A 57 4.512 5.114 -16.383 1.00 0.00 C ATOM 819 C SER A 57 4.082 3.880 -15.591 1.00 0.00 C ATOM 820 O SER A 57 4.151 2.756 -16.098 1.00 0.00 O ATOM 821 CB SER A 57 3.377 5.581 -17.299 1.00 0.00 C ATOM 822 OG SER A 57 3.219 4.698 -18.398 1.00 0.00 O ATOM 0 H SER A 57 5.496 4.348 -18.066 1.00 0.00 H new ATOM 0 HA SER A 57 4.750 5.909 -15.676 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.447 5.635 -16.734 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.588 6.587 -17.663 1.00 0.00 H new ATOM 0 HG SER A 57 2.488 5.014 -18.969 1.00 0.00 H new ATOM 828 N GLY A 58 3.633 4.093 -14.359 1.00 0.00 N ATOM 829 CA GLY A 58 3.212 2.991 -13.515 1.00 0.00 C ATOM 830 C GLY A 58 2.875 3.449 -12.114 1.00 0.00 C ATOM 831 O GLY A 58 2.370 4.557 -11.925 1.00 0.00 O ATOM 0 H GLY A 58 3.553 5.014 -13.928 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.341 2.507 -13.958 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.004 2.244 -13.472 1.00 0.00 H new ATOM 835 N PHE A 59 3.159 2.607 -11.132 1.00 0.00 N ATOM 836 CA PHE A 59 2.888 2.920 -9.732 1.00 0.00 C ATOM 837 C PHE A 59 4.196 2.967 -8.956 1.00 0.00 C ATOM 838 O PHE A 59 5.215 2.449 -9.416 1.00 0.00 O ATOM 839 CB PHE A 59 1.948 1.873 -9.116 1.00 0.00 C ATOM 840 CG PHE A 59 0.581 1.822 -9.757 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.376 1.120 -10.936 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.498 2.472 -9.174 1.00 0.00 C ATOM 843 CE1 PHE A 59 -0.875 1.069 -11.522 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.751 2.425 -9.757 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.940 1.721 -10.932 1.00 0.00 C ATOM 0 H PHE A 59 3.582 1.691 -11.279 1.00 0.00 H new ATOM 0 HA PHE A 59 2.401 3.893 -9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.413 0.890 -9.197 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.832 2.085 -8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.204 0.607 -11.402 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.357 3.021 -8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.019 0.520 -12.441 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.582 2.938 -9.295 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.918 1.681 -11.387 1.00 0.00 H new ATOM 855 N LEU A 60 4.171 3.598 -7.789 1.00 0.00 N ATOM 856 CA LEU A 60 5.339 3.657 -6.922 1.00 0.00 C ATOM 857 C LEU A 60 4.884 3.663 -5.465 1.00 0.00 C ATOM 858 O LEU A 60 4.239 4.611 -5.010 1.00 0.00 O ATOM 859 CB LEU A 60 6.184 4.913 -7.235 1.00 0.00 C ATOM 860 CG LEU A 60 7.701 4.796 -6.964 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.425 6.069 -7.399 1.00 0.00 C ATOM 862 CD2 LEU A 60 7.993 4.500 -5.492 1.00 0.00 C ATOM 0 H LEU A 60 3.350 4.078 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 60 5.964 2.781 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.042 5.169 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.794 5.744 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 60 8.072 3.957 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.492 5.967 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.269 6.230 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.032 6.920 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.070 4.425 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.596 5.305 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.521 3.559 -5.210 1.00 0.00 H new ATOM 874 N ILE A 61 5.187 2.586 -4.751 1.00 0.00 N ATOM 875 CA ILE A 61 4.922 2.515 -3.320 1.00 0.00 C ATOM 876 C ILE A 61 6.088 3.158 -2.574 1.00 0.00 C ATOM 877 O ILE A 61 7.171 2.576 -2.470 1.00 0.00 O ATOM 878 CB ILE A 61 4.720 1.051 -2.851 1.00 0.00 C ATOM 879 CG1 ILE A 61 3.586 0.393 -3.663 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.415 0.999 -1.352 1.00 0.00 C ATOM 881 CD1 ILE A 61 3.332 -1.057 -3.310 1.00 0.00 C ATOM 0 H ILE A 61 5.618 1.748 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 61 3.998 3.052 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 61 5.642 0.496 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.668 0.959 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.827 0.460 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.277 -0.038 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.245 1.435 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.505 1.563 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.520 -1.445 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.235 -1.639 -3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.057 -1.133 -2.258 1.00 0.00 H new ATOM 893 N HIS A 62 5.867 4.377 -2.092 1.00 0.00 N ATOM 894 CA HIS A 62 6.941 5.202 -1.554 1.00 0.00 C ATOM 895 C HIS A 62 6.716 5.497 -0.067 1.00 0.00 C ATOM 896 O HIS A 62 5.854 6.300 0.297 1.00 0.00 O ATOM 897 CB HIS A 62 7.008 6.506 -2.367 1.00 0.00 C ATOM 898 CG HIS A 62 8.325 7.216 -2.304 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.542 8.371 -1.589 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.497 6.939 -2.931 1.00 0.00 C ATOM 901 CE1 HIS A 62 9.804 8.755 -1.798 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.431 7.920 -2.607 1.00 0.00 N ATOM 0 H HIS A 62 4.947 4.817 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 62 7.888 4.668 -1.636 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.782 6.280 -3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.230 7.181 -2.011 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.859 8.850 -1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.676 6.093 -3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.254 9.635 -1.362 1.00 0.00 H new ATOM 910 N GLY A 63 7.478 4.814 0.788 1.00 0.00 N ATOM 911 CA GLY A 63 7.406 5.035 2.226 1.00 0.00 C ATOM 912 C GLY A 63 8.548 5.912 2.707 1.00 0.00 C ATOM 913 O GLY A 63 9.718 5.562 2.528 1.00 0.00 O ATOM 0 H GLY A 63 8.152 4.103 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.454 5.503 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.437 4.077 2.745 1.00 0.00 H new ATOM 917 N GLU A 64 8.219 7.043 3.330 1.00 0.00 N ATOM 918 CA GLU A 64 9.218 8.058 3.658 1.00 0.00 C ATOM 919 C GLU A 64 8.850 8.854 4.916 1.00 0.00 C ATOM 920 O GLU A 64 7.985 8.445 5.705 1.00 0.00 O ATOM 921 CB GLU A 64 9.358 9.023 2.470 1.00 0.00 C ATOM 922 CG GLU A 64 8.045 9.709 2.097 1.00 0.00 C ATOM 923 CD GLU A 64 8.162 10.618 0.885 1.00 0.00 C ATOM 924 OE1 GLU A 64 9.024 11.522 0.902 1.00 0.00 O ATOM 925 OE2 GLU A 64 7.392 10.426 -0.087 1.00 0.00 O ATOM 0 H GLU A 64 7.269 7.279 3.617 1.00 0.00 H new ATOM 0 HA GLU A 64 10.159 7.546 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.102 9.782 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.732 8.474 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.290 8.948 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.695 10.293 2.948 1.00 0.00 H new ATOM 932 N ARG A 65 9.577 9.966 5.101 1.00 0.00 N ATOM 933 CA ARG A 65 9.295 11.000 6.109 1.00 0.00 C ATOM 934 C ARG A 65 9.667 10.562 7.527 1.00 0.00 C ATOM 935 O ARG A 65 10.030 11.400 8.355 1.00 0.00 O ATOM 936 CB ARG A 65 7.829 11.465 6.055 1.00 0.00 C ATOM 937 CG ARG A 65 7.576 12.760 6.828 1.00 0.00 C ATOM 938 CD ARG A 65 6.110 13.177 6.794 1.00 0.00 C ATOM 939 NE ARG A 65 5.907 14.496 7.403 1.00 0.00 N ATOM 940 CZ ARG A 65 5.057 14.747 8.401 1.00 0.00 C ATOM 941 NH1 ARG A 65 4.353 13.766 8.952 1.00 0.00 N ATOM 942 NH2 ARG A 65 4.925 15.985 8.854 1.00 0.00 N ATOM 0 H ARG A 65 10.401 10.177 4.538 1.00 0.00 H new ATOM 0 HA ARG A 65 9.933 11.846 5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.539 11.609 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.191 10.679 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.890 12.630 7.863 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.188 13.557 6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.761 13.195 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.509 12.436 7.321 1.00 0.00 H new ATOM 0 HE ARG A 65 6.454 15.276 7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.459 12.810 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.706 13.968 9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.471 16.740 8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.277 16.183 9.616 1.00 0.00 H new ATOM 956 N GLN A 66 9.571 9.267 7.812 1.00 0.00 N ATOM 957 CA GLN A 66 9.951 8.748 9.121 1.00 0.00 C ATOM 958 C GLN A 66 11.415 9.066 9.410 1.00 0.00 C ATOM 959 O GLN A 66 12.274 8.843 8.561 1.00 0.00 O ATOM 960 CB GLN A 66 9.706 7.232 9.202 1.00 0.00 C ATOM 961 CG GLN A 66 10.220 6.574 10.488 1.00 0.00 C ATOM 962 CD GLN A 66 9.390 6.873 11.738 1.00 0.00 C ATOM 963 OE1 GLN A 66 8.740 8.030 11.802 1.00 0.00 O flip ATOM 964 NE2 GLN A 66 9.339 6.057 12.657 1.00 0.00 N flip ATOM 0 H GLN A 66 9.235 8.561 7.157 1.00 0.00 H new ATOM 0 HA GLN A 66 9.330 9.233 9.875 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.636 7.044 9.115 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.184 6.753 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.251 5.495 10.340 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.245 6.902 10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.847 5.175 12.585 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.789 6.262 13.491 1.00 0.00 H new ATOM 973 N LYS A 67 11.676 9.599 10.605 1.00 0.00 N ATOM 974 CA LYS A 67 13.023 9.988 11.021 1.00 0.00 C ATOM 975 C LYS A 67 13.517 11.154 10.158 1.00 0.00 C ATOM 976 O LYS A 67 14.315 10.976 9.232 1.00 0.00 O ATOM 977 CB LYS A 67 13.989 8.789 10.962 1.00 0.00 C ATOM 978 CG LYS A 67 15.347 9.044 11.613 1.00 0.00 C ATOM 979 CD LYS A 67 16.219 7.789 11.599 1.00 0.00 C ATOM 980 CE LYS A 67 17.530 7.994 12.350 1.00 0.00 C ATOM 981 NZ LYS A 67 18.355 6.756 12.373 1.00 0.00 N ATOM 0 H LYS A 67 10.960 9.773 11.310 1.00 0.00 H new ATOM 0 HA LYS A 67 12.990 10.320 12.059 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.520 7.935 11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.145 8.514 9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.859 9.850 11.086 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.202 9.376 12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.670 6.961 12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.432 7.508 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.096 8.799 11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.318 8.308 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.238 6.937 12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.826 5.995 12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.579 6.470 11.399 1.00 0.00 H new ATOM 995 N ASP A 68 12.996 12.343 10.465 1.00 0.00 N ATOM 996 CA ASP A 68 13.280 13.569 9.711 1.00 0.00 C ATOM 997 C ASP A 68 12.640 13.520 8.327 1.00 0.00 C ATOM 998 O ASP A 68 11.509 13.977 8.148 1.00 0.00 O ATOM 999 CB ASP A 68 14.790 13.847 9.597 1.00 0.00 C ATOM 1000 CG ASP A 68 15.396 14.328 10.903 1.00 0.00 C ATOM 1001 OD1 ASP A 68 15.791 13.479 11.731 1.00 0.00 O ATOM 1002 OD2 ASP A 68 15.483 15.558 11.105 1.00 0.00 O ATOM 0 H ASP A 68 12.360 12.485 11.250 1.00 0.00 H new ATOM 0 HA ASP A 68 12.839 14.393 10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.300 12.938 9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.960 14.597 8.824 1.00 0.00 H new ATOM 1007 N LYS A 69 13.347 12.943 7.357 1.00 0.00 N ATOM 1008 CA LYS A 69 12.870 12.897 5.978 1.00 0.00 C ATOM 1009 C LYS A 69 13.825 12.083 5.110 1.00 0.00 C ATOM 1010 O LYS A 69 14.872 12.574 4.686 1.00 0.00 O ATOM 1011 CB LYS A 69 12.714 14.324 5.410 1.00 0.00 C ATOM 1012 CG LYS A 69 12.095 14.395 4.010 1.00 0.00 C ATOM 1013 CD LYS A 69 10.678 13.821 3.970 1.00 0.00 C ATOM 1014 CE LYS A 69 9.934 14.213 2.692 1.00 0.00 C ATOM 1015 NZ LYS A 69 10.574 13.672 1.460 1.00 0.00 N ATOM 0 H LYS A 69 14.254 12.500 7.502 1.00 0.00 H new ATOM 0 HA LYS A 69 11.894 12.413 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.097 14.907 6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.695 14.798 5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.073 15.433 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.726 13.849 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.725 12.734 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.120 14.174 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.907 13.852 2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.887 15.300 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.789 14.454 0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.455 13.180 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.926 13.004 0.997 1.00 0.00 H new ATOM 1029 N LEU A 70 13.472 10.825 4.886 1.00 0.00 N ATOM 1030 CA LEU A 70 14.189 9.961 3.958 1.00 0.00 C ATOM 1031 C LEU A 70 13.256 8.843 3.528 1.00 0.00 C ATOM 1032 O LEU A 70 12.196 8.656 4.131 1.00 0.00 O ATOM 1033 CB LEU A 70 15.483 9.384 4.570 1.00 0.00 C ATOM 1034 CG LEU A 70 15.311 8.301 5.653 1.00 0.00 C ATOM 1035 CD1 LEU A 70 16.650 7.639 5.971 1.00 0.00 C ATOM 1036 CD2 LEU A 70 14.700 8.888 6.919 1.00 0.00 C ATOM 0 H LEU A 70 12.679 10.374 5.343 1.00 0.00 H new ATOM 0 HA LEU A 70 14.497 10.554 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 70 16.085 8.966 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.053 10.208 4.999 1.00 0.00 H new ATOM 0 HG LEU A 70 14.631 7.543 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.506 6.878 6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.050 7.175 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.351 8.391 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.589 8.103 7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.351 9.671 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.722 9.311 6.689 1.00 0.00 H new ATOM 1048 N VAL A 71 13.633 8.115 2.493 1.00 0.00 N ATOM 1049 CA VAL A 71 12.783 7.066 1.954 1.00 0.00 C ATOM 1050 C VAL A 71 13.225 5.699 2.473 1.00 0.00 C ATOM 1051 O VAL A 71 14.284 5.193 2.096 1.00 0.00 O ATOM 1052 CB VAL A 71 12.798 7.063 0.409 1.00 0.00 C ATOM 1053 CG1 VAL A 71 11.658 6.203 -0.127 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.723 8.491 -0.136 1.00 0.00 C ATOM 0 H VAL A 71 14.523 8.230 2.008 1.00 0.00 H new ATOM 0 HA VAL A 71 11.765 7.268 2.287 1.00 0.00 H new ATOM 0 HB VAL A 71 13.738 6.630 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.679 6.209 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.773 5.181 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.706 6.604 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.735 8.466 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.802 8.963 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.579 9.063 0.223 1.00 0.00 H new ATOM 1064 N VAL A 72 12.410 5.116 3.345 1.00 0.00 N ATOM 1065 CA VAL A 72 12.729 3.834 3.968 1.00 0.00 C ATOM 1066 C VAL A 72 12.102 2.673 3.197 1.00 0.00 C ATOM 1067 O VAL A 72 12.362 1.507 3.495 1.00 0.00 O ATOM 1068 CB VAL A 72 12.249 3.792 5.442 1.00 0.00 C ATOM 1069 CG1 VAL A 72 12.934 4.883 6.265 1.00 0.00 C ATOM 1070 CG2 VAL A 72 10.727 3.922 5.526 1.00 0.00 C ATOM 0 H VAL A 72 11.518 5.513 3.639 1.00 0.00 H new ATOM 0 HA VAL A 72 13.814 3.729 3.945 1.00 0.00 H new ATOM 0 HB VAL A 72 12.527 2.825 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.583 4.836 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.013 4.733 6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.695 5.860 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.416 3.890 6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.418 4.869 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.261 3.100 4.983 1.00 0.00 H new ATOM 1080 N LEU A 73 11.279 2.995 2.202 1.00 0.00 N ATOM 1081 CA LEU A 73 10.590 1.977 1.417 1.00 0.00 C ATOM 1082 C LEU A 73 10.388 2.476 -0.014 1.00 0.00 C ATOM 1083 O LEU A 73 9.711 3.479 -0.237 1.00 0.00 O ATOM 1084 CB LEU A 73 9.239 1.633 2.087 1.00 0.00 C ATOM 1085 CG LEU A 73 8.530 0.342 1.616 1.00 0.00 C ATOM 1086 CD1 LEU A 73 7.960 0.487 0.205 1.00 0.00 C ATOM 1087 CD2 LEU A 73 9.478 -0.854 1.696 1.00 0.00 C ATOM 0 H LEU A 73 11.074 3.954 1.921 1.00 0.00 H new ATOM 0 HA LEU A 73 11.193 1.070 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.404 1.556 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.559 2.470 1.928 1.00 0.00 H new ATOM 0 HG LEU A 73 7.691 0.167 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.471 -0.442 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.235 1.300 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.768 0.706 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.960 -1.752 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.344 -0.675 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.807 -0.989 2.726 1.00 0.00 H new ATOM 1099 N GLU A 74 10.995 1.781 -0.972 1.00 0.00 N ATOM 1100 CA GLU A 74 10.848 2.106 -2.390 1.00 0.00 C ATOM 1101 C GLU A 74 10.435 0.864 -3.172 1.00 0.00 C ATOM 1102 O GLU A 74 11.104 -0.171 -3.102 1.00 0.00 O ATOM 1103 CB GLU A 74 12.159 2.660 -2.966 1.00 0.00 C ATOM 1104 CG GLU A 74 12.565 4.009 -2.394 1.00 0.00 C ATOM 1105 CD GLU A 74 13.817 4.576 -3.040 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.770 4.913 -4.245 1.00 0.00 O ATOM 1107 OE2 GLU A 74 14.853 4.696 -2.353 1.00 0.00 O ATOM 0 H GLU A 74 11.600 0.980 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 74 10.076 2.870 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.958 1.942 -2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.059 2.751 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.744 4.714 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.731 3.908 -1.321 1.00 0.00 H new ATOM 1114 N CYS A 75 9.329 0.964 -3.897 1.00 0.00 N ATOM 1115 CA CYS A 75 8.865 -0.131 -4.741 1.00 0.00 C ATOM 1116 C CYS A 75 8.193 0.415 -6.001 1.00 0.00 C ATOM 1117 O CYS A 75 6.987 0.679 -6.008 1.00 0.00 O ATOM 1118 CB CYS A 75 7.889 -1.029 -3.968 1.00 0.00 C ATOM 1119 SG CYS A 75 8.477 -1.530 -2.337 1.00 0.00 S ATOM 0 H CYS A 75 8.735 1.793 -3.918 1.00 0.00 H new ATOM 0 HA CYS A 75 9.729 -0.727 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.941 -0.503 -3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.689 -1.922 -4.560 1.00 0.00 H new ATOM 0 HG CYS A 75 8.780 -2.794 -2.354 1.00 0.00 H new ATOM 1125 N TYR A 76 8.990 0.631 -7.044 1.00 0.00 N ATOM 1126 CA TYR A 76 8.460 1.016 -8.347 1.00 0.00 C ATOM 1127 C TYR A 76 7.759 -0.181 -8.988 1.00 0.00 C ATOM 1128 O TYR A 76 8.267 -1.302 -8.950 1.00 0.00 O ATOM 1129 CB TYR A 76 9.581 1.532 -9.263 1.00 0.00 C ATOM 1130 CG TYR A 76 9.092 1.986 -10.629 1.00 0.00 C ATOM 1131 CD1 TYR A 76 8.423 3.196 -10.781 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.288 1.201 -11.762 1.00 0.00 C ATOM 1133 CE1 TYR A 76 7.967 3.608 -12.017 1.00 0.00 C ATOM 1134 CE2 TYR A 76 8.832 1.608 -13.000 1.00 0.00 C ATOM 1135 CZ TYR A 76 8.173 2.811 -13.123 1.00 0.00 C ATOM 1136 OH TYR A 76 7.711 3.216 -14.353 1.00 0.00 O ATOM 0 H TYR A 76 10.006 0.546 -7.011 1.00 0.00 H new ATOM 0 HA TYR A 76 7.741 1.823 -8.209 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.085 2.364 -8.772 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.322 0.744 -9.395 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.258 3.824 -9.918 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.806 0.258 -11.671 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.451 4.551 -12.117 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.991 0.986 -13.868 1.00 0.00 H new ATOM 0 HH TYR A 76 7.649 4.194 -14.373 1.00 0.00 H new ATOM 1146 N VAL A 77 6.596 0.063 -9.576 1.00 0.00 N ATOM 1147 CA VAL A 77 5.778 -0.999 -10.147 1.00 0.00 C ATOM 1148 C VAL A 77 5.460 -0.697 -11.609 1.00 0.00 C ATOM 1149 O VAL A 77 4.522 0.050 -11.915 1.00 0.00 O ATOM 1150 CB VAL A 77 4.454 -1.180 -9.356 1.00 0.00 C ATOM 1151 CG1 VAL A 77 3.616 -2.304 -9.951 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.736 -1.435 -7.874 1.00 0.00 C ATOM 0 H VAL A 77 6.195 0.996 -9.671 1.00 0.00 H new ATOM 0 HA VAL A 77 6.349 -1.925 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 77 3.883 -0.255 -9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.694 -2.412 -9.380 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.376 -2.069 -10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.178 -3.237 -9.912 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.794 -1.559 -7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.334 -2.340 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.281 -0.588 -7.456 1.00 0.00 H new ATOM 1162 N ARG A 78 6.254 -1.264 -12.510 1.00 0.00 N ATOM 1163 CA ARG A 78 6.057 -1.071 -13.941 1.00 0.00 C ATOM 1164 C ARG A 78 5.016 -2.065 -14.466 1.00 0.00 C ATOM 1165 O ARG A 78 5.345 -3.023 -15.171 1.00 0.00 O ATOM 1166 CB ARG A 78 7.391 -1.228 -14.691 1.00 0.00 C ATOM 1167 CG ARG A 78 7.298 -0.975 -16.195 1.00 0.00 C ATOM 1168 CD ARG A 78 8.619 -1.263 -16.896 1.00 0.00 C ATOM 1169 NE ARG A 78 9.076 -2.635 -16.655 1.00 0.00 N ATOM 1170 CZ ARG A 78 10.061 -3.231 -17.327 1.00 0.00 C ATOM 1171 NH1 ARG A 78 10.677 -2.594 -18.318 1.00 0.00 N ATOM 1172 NH2 ARG A 78 10.420 -4.470 -17.015 1.00 0.00 N ATOM 0 H ARG A 78 7.044 -1.864 -12.273 1.00 0.00 H new ATOM 0 HA ARG A 78 5.688 -0.060 -14.115 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.119 -0.539 -14.262 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.771 -2.236 -14.526 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.515 -1.602 -16.622 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.010 0.061 -16.373 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.504 -1.101 -17.968 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.376 -0.561 -16.547 1.00 0.00 H new ATOM 0 HE ARG A 78 8.608 -3.170 -15.923 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.396 -1.645 -18.567 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.430 -3.054 -18.830 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.942 -4.965 -16.262 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.174 -4.927 -17.528 1.00 0.00 H new ATOM 1186 N LYS A 79 3.765 -1.852 -14.051 1.00 0.00 N ATOM 1187 CA LYS A 79 2.624 -2.682 -14.456 1.00 0.00 C ATOM 1188 C LYS A 79 2.871 -4.178 -14.204 1.00 0.00 C ATOM 1189 O LYS A 79 2.213 -5.036 -14.796 1.00 0.00 O ATOM 1190 CB LYS A 79 2.252 -2.420 -15.926 1.00 0.00 C ATOM 1191 CG LYS A 79 1.871 -0.965 -16.198 1.00 0.00 C ATOM 1192 CD LYS A 79 1.359 -0.737 -17.623 1.00 0.00 C ATOM 1193 CE LYS A 79 -0.097 -1.176 -17.813 1.00 0.00 C ATOM 1194 NZ LYS A 79 -0.272 -2.652 -17.753 1.00 0.00 N ATOM 0 H LYS A 79 3.512 -1.093 -13.419 1.00 0.00 H new ATOM 0 HA LYS A 79 1.779 -2.394 -13.831 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.094 -2.694 -16.562 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.419 -3.066 -16.204 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.103 -0.658 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.739 -0.329 -16.024 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.449 0.321 -17.871 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.992 -1.283 -18.322 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.714 -0.711 -17.044 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.458 -0.812 -18.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.996 -2.944 -18.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.630 -3.118 -17.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.573 -2.927 -16.796 1.00 0.00 H new ATOM 1208 N ASP A 80 3.808 -4.474 -13.305 1.00 0.00 N ATOM 1209 CA ASP A 80 4.046 -5.839 -12.831 1.00 0.00 C ATOM 1210 C ASP A 80 3.952 -5.844 -11.315 1.00 0.00 C ATOM 1211 O ASP A 80 4.768 -5.219 -10.636 1.00 0.00 O ATOM 1212 CB ASP A 80 5.421 -6.357 -13.283 1.00 0.00 C ATOM 1213 CG ASP A 80 5.724 -7.750 -12.739 1.00 0.00 C ATOM 1214 OD1 ASP A 80 5.083 -8.724 -13.191 1.00 0.00 O ATOM 1215 OD2 ASP A 80 6.599 -7.878 -11.853 1.00 0.00 O ATOM 0 H ASP A 80 4.423 -3.777 -12.885 1.00 0.00 H new ATOM 0 HA ASP A 80 3.294 -6.503 -13.258 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.458 -6.379 -14.372 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.194 -5.664 -12.952 1.00 0.00 H new ATOM 1220 N LEU A 81 2.946 -6.530 -10.787 1.00 0.00 N ATOM 1221 CA LEU A 81 2.621 -6.441 -9.370 1.00 0.00 C ATOM 1222 C LEU A 81 1.946 -7.722 -8.893 1.00 0.00 C ATOM 1223 O LEU A 81 1.101 -8.285 -9.591 1.00 0.00 O ATOM 1224 CB LEU A 81 1.714 -5.209 -9.146 1.00 0.00 C ATOM 1225 CG LEU A 81 1.215 -4.928 -7.708 1.00 0.00 C ATOM 1226 CD1 LEU A 81 0.022 -5.812 -7.351 1.00 0.00 C ATOM 1227 CD2 LEU A 81 2.347 -5.090 -6.693 1.00 0.00 C ATOM 0 H LEU A 81 2.341 -7.155 -11.320 1.00 0.00 H new ATOM 0 HA LEU A 81 3.534 -6.323 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.256 -4.328 -9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.840 -5.316 -9.788 1.00 0.00 H new ATOM 0 HG LEU A 81 0.878 -3.892 -7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.304 -5.590 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.796 -5.618 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.313 -6.860 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.969 -4.887 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.731 -6.109 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.149 -4.390 -6.927 1.00 0.00 H new ATOM 1239 N VAL A 82 2.337 -8.178 -7.705 1.00 0.00 N ATOM 1240 CA VAL A 82 1.692 -9.310 -7.053 1.00 0.00 C ATOM 1241 C VAL A 82 1.394 -8.966 -5.593 1.00 0.00 C ATOM 1242 O VAL A 82 2.234 -9.169 -4.716 1.00 0.00 O ATOM 1243 CB VAL A 82 2.565 -10.594 -7.112 1.00 0.00 C ATOM 1244 CG1 VAL A 82 1.836 -11.781 -6.479 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.969 -10.913 -8.549 1.00 0.00 C ATOM 0 H VAL A 82 3.106 -7.774 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 82 0.765 -9.511 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 82 3.472 -10.408 -6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.468 -12.667 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.614 -11.557 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.906 -11.966 -7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.579 -11.816 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.075 -11.070 -9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.542 -10.081 -8.959 1.00 0.00 H new ATOM 1255 N TYR A 83 0.221 -8.388 -5.350 1.00 0.00 N ATOM 1256 CA TYR A 83 -0.233 -8.110 -3.988 1.00 0.00 C ATOM 1257 C TYR A 83 -0.917 -9.348 -3.426 1.00 0.00 C ATOM 1258 O TYR A 83 -1.552 -10.103 -4.167 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.210 -6.915 -3.946 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.693 -5.690 -3.205 1.00 0.00 C ATOM 1261 CD1 TYR A 83 -0.847 -5.576 -1.831 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.078 -4.638 -3.879 1.00 0.00 C ATOM 1263 CE1 TYR A 83 -0.407 -4.460 -1.148 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.364 -3.517 -3.204 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.197 -3.432 -1.839 1.00 0.00 C ATOM 1266 OH TYR A 83 0.634 -2.315 -1.163 1.00 0.00 O ATOM 0 H TYR A 83 -0.434 -8.102 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 83 0.637 -7.851 -3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.453 -6.627 -4.969 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.139 -7.240 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -1.321 -6.377 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.056 -4.700 -4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.535 -4.393 -0.078 1.00 0.00 H new ATOM 0 HE2 TYR A 83 0.838 -2.711 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 83 1.421 -2.544 -0.627 1.00 0.00 H new ATOM 1276 N THR A 84 -0.781 -9.558 -2.131 1.00 0.00 N ATOM 1277 CA THR A 84 -1.420 -10.677 -1.462 1.00 0.00 C ATOM 1278 C THR A 84 -1.942 -10.240 -0.096 1.00 0.00 C ATOM 1279 O THR A 84 -1.180 -9.738 0.738 1.00 0.00 O ATOM 1280 CB THR A 84 -0.436 -11.858 -1.295 1.00 0.00 C ATOM 1281 OG1 THR A 84 0.127 -12.207 -2.570 1.00 0.00 O ATOM 1282 CG2 THR A 84 -1.125 -13.080 -0.689 1.00 0.00 C ATOM 0 H THR A 84 -0.228 -8.962 -1.515 1.00 0.00 H new ATOM 0 HA THR A 84 -2.255 -11.010 -2.078 1.00 0.00 H new ATOM 0 HB THR A 84 0.354 -11.541 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.751 -12.955 -2.459 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.404 -13.891 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.525 -12.823 0.292 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.939 -13.399 -1.340 1.00 0.00 H new ATOM 1290 N LYS A 85 -3.244 -10.395 0.116 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.845 -10.092 1.406 1.00 0.00 C ATOM 1292 C LYS A 85 -3.677 -11.292 2.332 1.00 0.00 C ATOM 1293 O LYS A 85 -4.452 -12.251 2.268 1.00 0.00 O ATOM 1294 CB LYS A 85 -5.335 -9.738 1.257 1.00 0.00 C ATOM 1295 CG LYS A 85 -6.007 -9.357 2.577 1.00 0.00 C ATOM 1296 CD LYS A 85 -7.512 -9.137 2.426 1.00 0.00 C ATOM 1297 CE LYS A 85 -8.170 -8.850 3.775 1.00 0.00 C ATOM 1298 NZ LYS A 85 -9.649 -8.759 3.680 1.00 0.00 N ATOM 0 H LYS A 85 -3.901 -10.728 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.341 -9.225 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.435 -8.910 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.861 -10.589 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.830 -10.143 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.548 -8.448 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.693 -8.305 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.967 -10.020 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.902 -9.637 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.777 -7.916 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.046 -8.563 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.908 -7.991 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.030 -9.659 3.324 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.638 -11.254 3.157 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.375 -12.328 4.106 1.00 0.00 C ATOM 1314 C ALA A 86 -3.476 -12.368 5.159 1.00 0.00 C ATOM 1315 O ALA A 86 -3.961 -13.439 5.536 1.00 0.00 O ATOM 1316 CB ALA A 86 -1.011 -12.140 4.757 1.00 0.00 C ATOM 0 H ALA A 86 -1.963 -10.490 3.188 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.367 -13.279 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.830 -12.950 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.237 -12.148 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.988 -11.187 5.285 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.857 -11.185 5.621 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.933 -11.020 6.591 1.00 0.00 C ATOM 1324 C ASN A 87 -5.415 -9.568 6.552 1.00 0.00 C ATOM 1325 O ASN A 87 -4.726 -8.711 5.996 1.00 0.00 O ATOM 1326 CB ASN A 87 -4.468 -11.419 8.007 1.00 0.00 C ATOM 1327 CG ASN A 87 -3.303 -10.589 8.517 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.490 -9.505 9.076 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -2.093 -11.108 8.361 1.00 0.00 N ATOM 0 H ASN A 87 -3.426 -10.307 5.332 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.761 -11.680 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.305 -11.319 8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.181 -12.471 8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.275 -10.608 8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.980 -12.007 7.893 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.603 -9.266 7.123 1.00 0.00 N ATOM 1337 CA PRO A 88 -7.209 -7.920 7.069 1.00 0.00 C ATOM 1338 C PRO A 88 -6.261 -6.790 7.485 1.00 0.00 C ATOM 1339 O PRO A 88 -6.463 -5.635 7.107 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.399 -8.011 8.047 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.198 -9.287 8.798 1.00 0.00 C ATOM 1342 CD PRO A 88 -7.471 -10.201 7.858 1.00 0.00 C ATOM 0 HA PRO A 88 -7.489 -7.667 6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.418 -7.156 8.723 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.348 -8.016 7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.620 -9.120 9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.152 -9.717 9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.895 -10.958 8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.155 -10.729 7.194 1.00 0.00 H new ATOM 1350 N THR A 89 -5.228 -7.117 8.257 1.00 0.00 N ATOM 1351 CA THR A 89 -4.317 -6.104 8.778 1.00 0.00 C ATOM 1352 C THR A 89 -2.887 -6.281 8.257 1.00 0.00 C ATOM 1353 O THR A 89 -1.955 -5.675 8.788 1.00 0.00 O ATOM 1354 CB THR A 89 -4.324 -6.110 10.326 1.00 0.00 C ATOM 1355 OG1 THR A 89 -4.267 -7.461 10.815 1.00 0.00 O ATOM 1356 CG2 THR A 89 -5.574 -5.423 10.871 1.00 0.00 C ATOM 0 H THR A 89 -5.002 -8.072 8.534 1.00 0.00 H new ATOM 0 HA THR A 89 -4.677 -5.140 8.419 1.00 0.00 H new ATOM 0 HB THR A 89 -3.447 -5.560 10.669 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.876 -8.041 10.128 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.553 -5.441 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.601 -4.389 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.461 -5.947 10.516 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.712 -7.082 7.203 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.388 -7.295 6.620 1.00 0.00 C ATOM 1366 C PHE A 90 -1.482 -7.632 5.130 1.00 0.00 C ATOM 1367 O PHE A 90 -1.981 -8.696 4.745 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.635 -8.411 7.369 1.00 0.00 C ATOM 1369 CG PHE A 90 0.797 -8.618 6.909 1.00 0.00 C ATOM 1370 CD1 PHE A 90 1.081 -9.417 5.809 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.857 -8.010 7.575 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.383 -9.604 5.385 1.00 0.00 C ATOM 1373 CE2 PHE A 90 3.160 -8.196 7.152 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.422 -8.994 6.057 1.00 0.00 C ATOM 0 H PHE A 90 -3.466 -7.590 6.740 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.831 -6.364 6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.632 -8.179 8.434 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.182 -9.346 7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.273 -9.899 5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.659 -7.385 8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.587 -10.228 4.527 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.972 -7.717 7.678 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.440 -9.141 5.726 1.00 0.00 H new ATOM 1384 N HIS A 91 -1.013 -6.706 4.304 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.814 -6.945 2.874 1.00 0.00 C ATOM 1386 C HIS A 91 0.681 -7.063 2.601 1.00 0.00 C ATOM 1387 O HIS A 91 1.494 -6.542 3.366 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.393 -5.789 2.031 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.764 -6.032 1.463 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.930 -5.678 2.099 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -3.141 -6.552 0.260 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -4.951 -5.977 1.292 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -4.528 -6.512 0.162 1.00 0.00 N ATOM 0 H HIS A 91 -0.758 -5.765 4.604 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.331 -7.864 2.597 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.428 -4.892 2.650 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.708 -5.583 1.208 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.003 -5.260 3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.470 -6.934 -0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.989 -5.803 1.533 1.00 0.00 H new ATOM 1401 N HIS A 92 1.042 -7.756 1.534 1.00 0.00 N ATOM 1402 CA HIS A 92 2.426 -7.781 1.069 1.00 0.00 C ATOM 1403 C HIS A 92 2.451 -7.876 -0.447 1.00 0.00 C ATOM 1404 O HIS A 92 1.556 -8.477 -1.052 1.00 0.00 O ATOM 1405 CB HIS A 92 3.220 -8.940 1.698 1.00 0.00 C ATOM 1406 CG HIS A 92 2.690 -10.308 1.385 1.00 0.00 C ATOM 1407 ND1 HIS A 92 3.164 -11.103 0.361 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.724 -11.035 2.004 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.493 -12.259 0.394 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.606 -12.269 1.373 1.00 0.00 N ATOM 0 H HIS A 92 0.398 -8.311 0.970 1.00 0.00 H new ATOM 0 HA HIS A 92 2.908 -6.855 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.254 -8.880 1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.232 -8.809 2.780 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.140 -10.707 2.851 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.655 -13.078 -0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.967 -13.026 1.616 1.00 0.00 H new ATOM 1418 N TRP A 93 3.453 -7.264 -1.062 1.00 0.00 N ATOM 1419 CA TRP A 93 3.575 -7.259 -2.513 1.00 0.00 C ATOM 1420 C TRP A 93 4.919 -7.829 -2.952 1.00 0.00 C ATOM 1421 O TRP A 93 5.933 -7.676 -2.265 1.00 0.00 O ATOM 1422 CB TRP A 93 3.361 -5.846 -3.080 1.00 0.00 C ATOM 1423 CG TRP A 93 4.237 -4.784 -2.474 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.381 -4.261 -3.003 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.026 -4.104 -1.229 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.891 -3.299 -2.166 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.077 -3.183 -1.073 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.049 -4.183 -0.236 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.179 -2.349 0.038 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.151 -3.357 0.866 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.207 -2.447 0.994 1.00 0.00 C ATOM 0 H TRP A 93 4.196 -6.762 -0.576 1.00 0.00 H new ATOM 0 HA TRP A 93 2.793 -7.902 -2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.536 -5.871 -4.156 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.318 -5.565 -2.933 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.821 -4.560 -3.943 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.740 -2.758 -2.333 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.227 -4.878 -0.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 5.996 -1.650 0.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 2.403 -3.414 1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.255 -1.810 1.865 1.00 0.00 H new ATOM 1442 N LYS A 94 4.897 -8.504 -4.095 1.00 0.00 N ATOM 1443 CA LYS A 94 6.072 -9.157 -4.656 1.00 0.00 C ATOM 1444 C LYS A 94 6.506 -8.398 -5.915 1.00 0.00 C ATOM 1445 O LYS A 94 5.890 -8.539 -6.975 1.00 0.00 O ATOM 1446 CB LYS A 94 5.715 -10.623 -4.984 1.00 0.00 C ATOM 1447 CG LYS A 94 6.892 -11.599 -5.066 1.00 0.00 C ATOM 1448 CD LYS A 94 7.819 -11.331 -6.247 1.00 0.00 C ATOM 1449 CE LYS A 94 8.732 -12.523 -6.529 1.00 0.00 C ATOM 1450 NZ LYS A 94 9.497 -12.953 -5.326 1.00 0.00 N ATOM 0 H LYS A 94 4.057 -8.614 -4.662 1.00 0.00 H new ATOM 0 HA LYS A 94 6.899 -9.150 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.021 -10.985 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.186 -10.643 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.467 -11.542 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.507 -12.616 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.225 -11.110 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.425 -10.449 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.132 -13.358 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.429 -12.262 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.231 -13.634 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.944 -12.124 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.851 -13.402 -4.646 1.00 0.00 H new ATOM 1464 N VAL A 95 7.539 -7.569 -5.781 1.00 0.00 N ATOM 1465 CA VAL A 95 8.056 -6.773 -6.898 1.00 0.00 C ATOM 1466 C VAL A 95 9.580 -6.791 -6.891 1.00 0.00 C ATOM 1467 O VAL A 95 10.195 -6.844 -5.821 1.00 0.00 O ATOM 1468 CB VAL A 95 7.560 -5.300 -6.847 1.00 0.00 C ATOM 1469 CG1 VAL A 95 6.045 -5.228 -7.023 1.00 0.00 C ATOM 1470 CG2 VAL A 95 7.989 -4.624 -5.544 1.00 0.00 C ATOM 0 H VAL A 95 8.040 -7.429 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 95 7.679 -7.224 -7.816 1.00 0.00 H new ATOM 0 HB VAL A 95 8.022 -4.762 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.723 -4.187 -6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.770 -5.657 -7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.559 -5.789 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.630 -3.595 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.567 -5.165 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.077 -4.630 -5.472 1.00 0.00 H new ATOM 1480 N ASP A 96 10.184 -6.768 -8.081 1.00 0.00 N ATOM 1481 CA ASP A 96 11.644 -6.835 -8.225 1.00 0.00 C ATOM 1482 C ASP A 96 12.184 -8.081 -7.513 1.00 0.00 C ATOM 1483 O ASP A 96 13.323 -8.119 -7.047 1.00 0.00 O ATOM 1484 CB ASP A 96 12.301 -5.548 -7.680 1.00 0.00 C ATOM 1485 CG ASP A 96 13.794 -5.466 -7.979 1.00 0.00 C ATOM 1486 OD1 ASP A 96 14.193 -5.743 -9.135 1.00 0.00 O ATOM 1487 OD2 ASP A 96 14.573 -5.101 -7.070 1.00 0.00 O ATOM 0 H ASP A 96 9.682 -6.703 -8.967 1.00 0.00 H new ATOM 0 HA ASP A 96 11.894 -6.912 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.802 -4.681 -8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.149 -5.498 -6.602 1.00 0.00 H new ATOM 1492 N ASN A 97 11.321 -9.099 -7.439 1.00 0.00 N ATOM 1493 CA ASN A 97 11.613 -10.380 -6.788 1.00 0.00 C ATOM 1494 C ASN A 97 11.584 -10.257 -5.259 1.00 0.00 C ATOM 1495 O ASN A 97 11.486 -11.260 -4.548 1.00 0.00 O ATOM 1496 CB ASN A 97 12.957 -10.969 -7.257 1.00 0.00 C ATOM 1497 CG ASN A 97 13.175 -12.393 -6.764 1.00 0.00 C ATOM 1498 OD1 ASN A 97 12.222 -13.160 -6.599 1.00 0.00 O ATOM 1499 ND2 ASN A 97 14.427 -12.757 -6.523 1.00 0.00 N ATOM 0 H ASN A 97 10.383 -9.055 -7.837 1.00 0.00 H new ATOM 0 HA ASN A 97 10.824 -11.069 -7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.995 -10.956 -8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.771 -10.337 -6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.629 -13.699 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.188 -12.095 -6.671 1.00 0.00 H new ATOM 1506 N ARG A 98 11.627 -9.030 -4.756 1.00 0.00 N ATOM 1507 CA ARG A 98 11.667 -8.782 -3.320 1.00 0.00 C ATOM 1508 C ARG A 98 10.248 -8.655 -2.759 1.00 0.00 C ATOM 1509 O ARG A 98 9.306 -8.348 -3.493 1.00 0.00 O ATOM 1510 CB ARG A 98 12.493 -7.518 -3.038 1.00 0.00 C ATOM 1511 CG ARG A 98 12.805 -7.283 -1.561 1.00 0.00 C ATOM 1512 CD ARG A 98 13.876 -6.213 -1.380 1.00 0.00 C ATOM 1513 NE ARG A 98 15.115 -6.569 -2.077 1.00 0.00 N ATOM 1514 CZ ARG A 98 15.984 -5.689 -2.574 1.00 0.00 C ATOM 1515 NH1 ARG A 98 15.784 -4.384 -2.429 1.00 0.00 N ATOM 1516 NH2 ARG A 98 17.062 -6.121 -3.215 1.00 0.00 N ATOM 0 H ARG A 98 11.635 -8.184 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 98 12.144 -9.625 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 98 13.431 -7.582 -3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.954 -6.653 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.896 -6.982 -1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.140 -8.215 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.506 -5.259 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 98 14.081 -6.078 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 98 15.327 -7.560 -2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.959 -4.046 -1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.455 -3.719 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 98 17.223 -7.122 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 98 17.730 -5.452 -3.597 1.00 0.00 H new ATOM 1530 N LYS A 99 10.100 -8.911 -1.463 1.00 0.00 N ATOM 1531 CA LYS A 99 8.799 -8.858 -0.799 1.00 0.00 C ATOM 1532 C LYS A 99 8.789 -7.758 0.250 1.00 0.00 C ATOM 1533 O LYS A 99 9.730 -7.636 1.040 1.00 0.00 O ATOM 1534 CB LYS A 99 8.468 -10.203 -0.135 1.00 0.00 C ATOM 1535 CG LYS A 99 8.181 -11.330 -1.118 1.00 0.00 C ATOM 1536 CD LYS A 99 7.903 -12.658 -0.412 1.00 0.00 C ATOM 1537 CE LYS A 99 6.640 -12.607 0.444 1.00 0.00 C ATOM 1538 NZ LYS A 99 6.313 -13.934 1.034 1.00 0.00 N ATOM 0 H LYS A 99 10.873 -9.160 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 99 8.043 -8.645 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.302 -10.496 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.602 -10.072 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.323 -11.062 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.031 -11.449 -1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.803 -13.448 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.755 -12.918 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.773 -11.878 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.803 -12.264 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.449 -13.856 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.161 -14.625 0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.100 -14.250 1.636 1.00 0.00 H new ATOM 1552 N PHE A 100 7.731 -6.960 0.250 1.00 0.00 N ATOM 1553 CA PHE A 100 7.541 -5.923 1.257 1.00 0.00 C ATOM 1554 C PHE A 100 6.148 -6.063 1.856 1.00 0.00 C ATOM 1555 O PHE A 100 5.187 -6.349 1.137 1.00 0.00 O ATOM 1556 CB PHE A 100 7.705 -4.530 0.642 1.00 0.00 C ATOM 1557 CG PHE A 100 8.930 -4.366 -0.222 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.177 -4.144 0.342 1.00 0.00 C ATOM 1559 CD2 PHE A 100 8.825 -4.416 -1.604 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.291 -3.972 -0.456 1.00 0.00 C ATOM 1561 CE2 PHE A 100 9.935 -4.246 -2.406 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.169 -4.023 -1.832 1.00 0.00 C ATOM 0 H PHE A 100 6.984 -7.011 -0.443 1.00 0.00 H new ATOM 0 HA PHE A 100 8.295 -6.041 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.822 -4.305 0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.742 -3.794 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.278 -4.105 1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 100 7.861 -4.590 -2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.257 -3.798 -0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 100 9.838 -4.287 -3.481 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.039 -3.888 -2.457 1.00 0.00 H new ATOM 1572 N GLY A 101 6.045 -5.883 3.167 1.00 0.00 N ATOM 1573 CA GLY A 101 4.771 -6.028 3.851 1.00 0.00 C ATOM 1574 C GLY A 101 4.236 -4.707 4.361 1.00 0.00 C ATOM 1575 O GLY A 101 4.978 -3.726 4.471 1.00 0.00 O ATOM 0 H GLY A 101 6.827 -5.637 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.045 -6.472 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.887 -6.717 4.688 1.00 0.00 H new ATOM 1579 N LEU A 102 2.949 -4.682 4.690 1.00 0.00 N ATOM 1580 CA LEU A 102 2.293 -3.473 5.169 1.00 0.00 C ATOM 1581 C LEU A 102 1.206 -3.830 6.181 1.00 0.00 C ATOM 1582 O LEU A 102 0.206 -4.464 5.833 1.00 0.00 O ATOM 1583 CB LEU A 102 1.681 -2.708 3.984 1.00 0.00 C ATOM 1584 CG LEU A 102 1.144 -1.304 4.303 1.00 0.00 C ATOM 1585 CD1 LEU A 102 2.279 -0.377 4.731 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.396 -0.727 3.102 1.00 0.00 C ATOM 0 H LEU A 102 2.335 -5.495 4.632 1.00 0.00 H new ATOM 0 HA LEU A 102 3.032 -2.839 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.437 -2.619 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.866 -3.304 3.573 1.00 0.00 H new ATOM 0 HG LEU A 102 0.442 -1.387 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.877 0.612 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.762 -0.780 5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.009 -0.300 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.024 0.267 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.072 -0.660 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.443 -1.376 2.850 1.00 0.00 H new ATOM 1598 N THR A 103 1.416 -3.446 7.436 1.00 0.00 N ATOM 1599 CA THR A 103 0.419 -3.657 8.477 1.00 0.00 C ATOM 1600 C THR A 103 -0.472 -2.427 8.602 1.00 0.00 C ATOM 1601 O THR A 103 0.019 -1.292 8.618 1.00 0.00 O ATOM 1602 CB THR A 103 1.076 -3.965 9.843 1.00 0.00 C ATOM 1603 OG1 THR A 103 1.927 -5.115 9.726 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.026 -4.220 10.923 1.00 0.00 C ATOM 0 H THR A 103 2.269 -2.987 7.756 1.00 0.00 H new ATOM 0 HA THR A 103 -0.182 -4.520 8.190 1.00 0.00 H new ATOM 0 HB THR A 103 1.664 -3.095 10.135 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.342 -5.305 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.522 -4.433 11.870 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.604 -3.337 11.034 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.591 -5.072 10.637 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.777 -2.658 8.677 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.751 -1.577 8.774 1.00 0.00 C ATOM 1614 C PHE A 104 -3.031 -1.249 10.236 1.00 0.00 C ATOM 1615 O PHE A 104 -3.171 -2.152 11.067 1.00 0.00 O ATOM 1616 CB PHE A 104 -4.041 -1.966 8.048 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.811 -2.342 6.607 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.281 -1.423 5.714 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -4.114 -3.614 6.148 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.058 -1.767 4.397 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.894 -3.961 4.832 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.365 -3.036 3.954 1.00 0.00 C ATOM 0 H PHE A 104 -2.188 -3.592 8.672 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.342 -0.687 8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.506 -2.804 8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.743 -1.134 8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.040 -0.426 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.528 -4.342 6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.643 -1.042 3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.135 -4.956 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.192 -3.306 2.923 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.117 0.038 10.544 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.247 0.499 11.923 1.00 0.00 C ATOM 1634 C GLN A 105 -4.682 0.908 12.247 1.00 0.00 C ATOM 1635 O GLN A 105 -5.099 0.858 13.406 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.285 1.667 12.176 1.00 0.00 C ATOM 1637 CG GLN A 105 -0.818 1.288 11.998 1.00 0.00 C ATOM 1638 CD GLN A 105 0.126 2.463 12.179 1.00 0.00 C ATOM 1639 OE1 GLN A 105 0.452 3.161 11.226 1.00 0.00 O ATOM 1640 NE2 GLN A 105 0.570 2.688 13.406 1.00 0.00 N ATOM 0 H GLN A 105 -3.099 0.788 9.853 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.987 -0.329 12.582 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.528 2.483 11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.436 2.041 13.189 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.560 0.509 12.715 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.676 0.865 11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.276 2.084 14.174 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.206 3.465 13.584 1.00 0.00 H new ATOM 1649 N SER A 106 -5.438 1.314 11.233 1.00 0.00 N ATOM 1650 CA SER A 106 -6.824 1.736 11.426 1.00 0.00 C ATOM 1651 C SER A 106 -7.668 1.407 10.186 1.00 0.00 C ATOM 1652 O SER A 106 -7.126 1.192 9.102 1.00 0.00 O ATOM 1653 CB SER A 106 -6.866 3.244 11.728 1.00 0.00 C ATOM 1654 OG SER A 106 -6.116 3.554 12.894 1.00 0.00 O ATOM 0 H SER A 106 -5.115 1.361 10.267 1.00 0.00 H new ATOM 0 HA SER A 106 -7.246 1.193 12.272 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.469 3.799 10.878 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.900 3.562 11.862 1.00 0.00 H new ATOM 0 HG SER A 106 -6.158 4.518 13.063 1.00 0.00 H new ATOM 1660 N PRO A 107 -9.009 1.337 10.335 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.920 1.066 9.211 1.00 0.00 C ATOM 1662 C PRO A 107 -9.703 2.028 8.038 1.00 0.00 C ATOM 1663 O PRO A 107 -9.829 1.641 6.876 1.00 0.00 O ATOM 1664 CB PRO A 107 -11.314 1.261 9.824 1.00 0.00 C ATOM 1665 CG PRO A 107 -11.127 0.992 11.278 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.745 1.489 11.610 1.00 0.00 C ATOM 0 HA PRO A 107 -9.764 0.073 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.685 2.272 9.652 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.040 0.577 9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.882 1.508 11.872 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.223 -0.072 11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.761 2.527 11.943 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.289 0.904 12.409 1.00 0.00 H new ATOM 1674 N ALA A 108 -9.358 3.274 8.355 1.00 0.00 N ATOM 1675 CA ALA A 108 -9.139 4.301 7.338 1.00 0.00 C ATOM 1676 C ALA A 108 -8.069 3.862 6.338 1.00 0.00 C ATOM 1677 O ALA A 108 -8.343 3.710 5.141 1.00 0.00 O ATOM 1678 CB ALA A 108 -8.752 5.623 7.996 1.00 0.00 C ATOM 0 H ALA A 108 -9.223 3.598 9.313 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.070 4.444 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.592 6.379 7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.552 5.946 8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.835 5.489 8.570 1.00 0.00 H new ATOM 1684 N ASP A 109 -6.858 3.635 6.839 1.00 0.00 N ATOM 1685 CA ASP A 109 -5.730 3.227 6.000 1.00 0.00 C ATOM 1686 C ASP A 109 -5.952 1.829 5.432 1.00 0.00 C ATOM 1687 O ASP A 109 -5.626 1.565 4.274 1.00 0.00 O ATOM 1688 CB ASP A 109 -4.417 3.281 6.795 1.00 0.00 C ATOM 1689 CG ASP A 109 -4.499 2.548 8.125 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.996 3.148 9.100 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -4.081 1.376 8.204 1.00 0.00 O ATOM 0 H ASP A 109 -6.630 3.727 7.829 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.659 3.926 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.617 2.847 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.150 4.322 6.976 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.526 0.948 6.246 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.813 -0.422 5.827 1.00 0.00 C ATOM 1698 C ALA A 110 -7.655 -0.446 4.551 1.00 0.00 C ATOM 1699 O ALA A 110 -7.290 -1.089 3.562 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.521 -1.181 6.945 1.00 0.00 C ATOM 0 H ALA A 110 -6.803 1.159 7.205 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.864 -0.914 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.728 -2.200 6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.883 -1.206 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.458 -0.680 7.188 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.777 0.270 4.578 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.702 0.307 3.445 1.00 0.00 C ATOM 1708 C ARG A 111 -9.105 1.105 2.293 1.00 0.00 C ATOM 1709 O ARG A 111 -9.275 0.744 1.129 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.061 0.904 3.859 1.00 0.00 C ATOM 1711 CG ARG A 111 -11.986 -0.072 4.592 1.00 0.00 C ATOM 1712 CD ARG A 111 -11.284 -0.774 5.747 1.00 0.00 C ATOM 1713 NE ARG A 111 -12.196 -1.581 6.554 1.00 0.00 N ATOM 1714 CZ ARG A 111 -11.887 -2.770 7.071 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -10.750 -3.372 6.735 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -12.730 -3.368 7.900 1.00 0.00 N ATOM 0 H ARG A 111 -9.069 0.835 5.375 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.867 -0.718 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -10.884 1.768 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.571 1.268 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.854 0.468 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.357 -0.817 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.493 -1.412 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.805 -0.029 6.383 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.129 -1.211 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -10.110 -2.924 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -10.518 -4.282 7.133 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.613 -2.918 8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -12.496 -4.278 8.297 1.00 0.00 H new ATOM 1730 N ALA A 112 -8.394 2.180 2.628 1.00 0.00 N ATOM 1731 CA ALA A 112 -7.776 3.038 1.620 1.00 0.00 C ATOM 1732 C ALA A 112 -6.795 2.241 0.763 1.00 0.00 C ATOM 1733 O ALA A 112 -6.921 2.194 -0.465 1.00 0.00 O ATOM 1734 CB ALA A 112 -7.075 4.220 2.280 1.00 0.00 C ATOM 0 H ALA A 112 -8.232 2.477 3.590 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.561 3.424 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.621 4.848 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.801 4.805 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.301 3.854 2.955 1.00 0.00 H new ATOM 1740 N PHE A 113 -5.829 1.600 1.419 1.00 0.00 N ATOM 1741 CA PHE A 113 -4.832 0.799 0.721 1.00 0.00 C ATOM 1742 C PHE A 113 -5.482 -0.385 0.017 1.00 0.00 C ATOM 1743 O PHE A 113 -5.248 -0.601 -1.167 1.00 0.00 O ATOM 1744 CB PHE A 113 -3.740 0.306 1.681 1.00 0.00 C ATOM 1745 CG PHE A 113 -2.780 1.383 2.125 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.036 2.093 1.192 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.612 1.681 3.471 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.150 3.076 1.591 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.726 2.661 3.873 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.994 3.360 2.933 1.00 0.00 C ATOM 0 H PHE A 113 -5.718 1.621 2.433 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.366 1.439 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.214 -0.129 2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.177 -0.491 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.151 1.874 0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.181 1.140 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.580 3.622 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.605 2.881 4.923 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.301 4.127 3.247 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.306 -1.144 0.743 1.00 0.00 N ATOM 1761 CA ASP A 114 -6.968 -2.322 0.174 1.00 0.00 C ATOM 1762 C ASP A 114 -7.706 -1.957 -1.106 1.00 0.00 C ATOM 1763 O ASP A 114 -7.315 -2.358 -2.204 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.965 -2.919 1.174 1.00 0.00 C ATOM 1765 CG ASP A 114 -8.654 -4.173 0.646 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -8.085 -5.277 0.788 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -9.767 -4.060 0.094 1.00 0.00 O ATOM 0 H ASP A 114 -6.531 -0.966 1.722 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.197 -3.059 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -7.443 -3.160 2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.719 -2.171 1.418 1.00 0.00 H new ATOM 1772 N ARG A 115 -8.757 -1.166 -0.940 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.617 -0.739 -2.048 1.00 0.00 C ATOM 1774 C ARG A 115 -8.791 -0.137 -3.189 1.00 0.00 C ATOM 1775 O ARG A 115 -8.990 -0.477 -4.367 1.00 0.00 O ATOM 1776 CB ARG A 115 -10.642 0.282 -1.534 1.00 0.00 C ATOM 1777 CG ARG A 115 -11.718 0.664 -2.547 1.00 0.00 C ATOM 1778 CD ARG A 115 -12.736 1.615 -1.928 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.872 1.874 -2.817 1.00 0.00 N ATOM 1780 CZ ARG A 115 -15.080 2.250 -2.393 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -15.300 2.457 -1.098 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -16.063 2.437 -3.261 1.00 0.00 N ATOM 0 H ARG A 115 -9.043 -0.798 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.138 -1.612 -2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.125 -0.123 -0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.114 1.184 -1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.255 1.135 -3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -12.223 -0.234 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.100 1.193 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.247 2.558 -1.684 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.731 1.760 -3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -14.544 2.328 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -16.225 2.744 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.898 2.294 -4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -16.985 2.724 -2.933 1.00 0.00 H new ATOM 1796 N GLY A 116 -7.857 0.745 -2.829 1.00 0.00 N ATOM 1797 CA GLY A 116 -6.995 1.373 -3.814 1.00 0.00 C ATOM 1798 C GLY A 116 -6.182 0.357 -4.593 1.00 0.00 C ATOM 1799 O GLY A 116 -6.053 0.457 -5.814 1.00 0.00 O ATOM 0 H GLY A 116 -7.684 1.035 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.602 1.958 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.321 2.069 -3.314 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.648 -0.635 -3.884 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.848 -1.687 -4.501 1.00 0.00 C ATOM 1805 C VAL A 117 -5.709 -2.552 -5.418 1.00 0.00 C ATOM 1806 O VAL A 117 -5.252 -2.991 -6.467 1.00 0.00 O ATOM 1807 CB VAL A 117 -4.150 -2.577 -3.434 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -3.586 -3.854 -4.057 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -3.042 -1.797 -2.729 1.00 0.00 C ATOM 0 H VAL A 117 -5.757 -0.731 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.074 -1.200 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.901 -2.865 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.105 -4.454 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.396 -4.427 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.855 -3.593 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.564 -2.435 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.301 -1.475 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.469 -0.923 -2.237 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.959 -2.779 -5.023 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.886 -3.560 -5.840 1.00 0.00 C ATOM 1821 C ARG A 118 -8.041 -2.903 -7.212 1.00 0.00 C ATOM 1822 O ARG A 118 -7.767 -3.517 -8.255 1.00 0.00 O ATOM 1823 CB ARG A 118 -9.259 -3.669 -5.152 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.203 -4.182 -3.716 1.00 0.00 C ATOM 1825 CD ARG A 118 -8.547 -5.552 -3.616 1.00 0.00 C ATOM 1826 NE ARG A 118 -9.341 -6.593 -4.273 1.00 0.00 N ATOM 1827 CZ ARG A 118 -9.593 -7.791 -3.742 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -9.090 -8.121 -2.556 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -10.346 -8.658 -4.401 1.00 0.00 N ATOM 0 H ARG A 118 -7.353 -2.436 -4.147 1.00 0.00 H new ATOM 0 HA ARG A 118 -7.482 -4.565 -5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.734 -2.688 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.894 -4.333 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.651 -3.472 -3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.214 -4.236 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.556 -5.513 -4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.408 -5.811 -2.566 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.726 -6.389 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.508 -7.457 -2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.287 -9.038 -2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -10.732 -8.409 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -10.540 -9.575 -3.998 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.444 -1.631 -7.193 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.638 -0.864 -8.423 1.00 0.00 C ATOM 1845 C LYS A 119 -7.321 -0.758 -9.192 1.00 0.00 C ATOM 1846 O LYS A 119 -7.291 -0.848 -10.427 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.179 0.543 -8.110 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.462 0.574 -7.268 1.00 0.00 C ATOM 1849 CD LYS A 119 -11.597 -0.259 -7.882 1.00 0.00 C ATOM 1850 CE LYS A 119 -11.756 -1.611 -7.188 1.00 0.00 C ATOM 1851 NZ LYS A 119 -12.769 -2.467 -7.857 1.00 0.00 N ATOM 0 H LYS A 119 -8.642 -1.111 -6.338 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.370 -1.386 -9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.405 1.105 -7.586 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -9.367 1.061 -9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.244 0.201 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.794 1.606 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.532 0.296 -7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.398 -0.417 -8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.796 -2.127 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.045 -1.453 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.407 -2.873 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.320 -1.894 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.290 -3.235 -8.370 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.233 -0.579 -8.442 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.900 -0.466 -9.020 1.00 0.00 C ATOM 1867 C ALA A 120 -4.545 -1.717 -9.815 1.00 0.00 C ATOM 1868 O ALA A 120 -4.202 -1.626 -10.988 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.861 -0.217 -7.929 1.00 0.00 C ATOM 0 H ALA A 120 -6.253 -0.509 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.898 0.384 -9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.872 -0.136 -8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.098 0.709 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.870 -1.046 -7.222 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.654 -2.882 -9.173 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.326 -4.158 -9.812 1.00 0.00 C ATOM 1877 C ILE A 121 -5.119 -4.328 -11.102 1.00 0.00 C ATOM 1878 O ILE A 121 -4.567 -4.720 -12.132 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.604 -5.367 -8.876 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.674 -5.326 -7.650 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.441 -6.692 -9.629 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -3.920 -6.445 -6.657 1.00 0.00 C ATOM 0 H ILE A 121 -4.968 -2.968 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.259 -4.137 -10.034 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.636 -5.298 -8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.639 -5.375 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.799 -4.369 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -4.641 -7.522 -8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.143 -6.726 -10.462 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.423 -6.771 -10.010 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.227 -6.349 -5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.944 -6.385 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.766 -7.407 -7.147 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.411 -4.020 -11.042 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.271 -4.112 -12.216 1.00 0.00 C ATOM 1896 C GLU A 122 -6.709 -3.284 -13.377 1.00 0.00 C ATOM 1897 O GLU A 122 -6.454 -3.818 -14.460 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.696 -3.673 -11.867 1.00 0.00 C ATOM 1899 CG GLU A 122 -9.387 -4.619 -10.888 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.771 -4.150 -10.481 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.644 -4.018 -11.365 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -11.004 -3.934 -9.273 1.00 0.00 O ATOM 0 H GLU A 122 -6.884 -3.705 -10.195 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.301 -5.153 -12.538 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.667 -2.672 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.286 -3.611 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.464 -5.608 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -8.769 -4.724 -9.996 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.483 -1.994 -13.141 1.00 0.00 N ATOM 1910 CA ASP A 123 -5.963 -1.098 -14.183 1.00 0.00 C ATOM 1911 C ASP A 123 -4.510 -1.442 -14.527 1.00 0.00 C ATOM 1912 O ASP A 123 -4.034 -1.175 -15.632 1.00 0.00 O ATOM 1913 CB ASP A 123 -6.060 0.366 -13.727 1.00 0.00 C ATOM 1914 CG ASP A 123 -5.649 1.351 -14.818 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -6.498 1.670 -15.683 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -4.489 1.813 -14.814 1.00 0.00 O ATOM 0 H ASP A 123 -6.650 -1.542 -12.242 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.571 -1.234 -15.077 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.083 0.579 -13.418 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.426 0.513 -12.853 1.00 0.00 H new ATOM 1921 N LEU A 124 -3.826 -2.054 -13.571 1.00 0.00 N ATOM 1922 CA LEU A 124 -2.403 -2.355 -13.691 1.00 0.00 C ATOM 1923 C LEU A 124 -2.144 -3.518 -14.646 1.00 0.00 C ATOM 1924 O LEU A 124 -1.259 -3.434 -15.504 1.00 0.00 O ATOM 1925 CB LEU A 124 -1.831 -2.651 -12.292 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.334 -3.012 -12.212 1.00 0.00 C ATOM 1927 CD1 LEU A 124 0.249 -2.562 -10.877 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.117 -4.518 -12.394 1.00 0.00 C ATOM 0 H LEU A 124 -4.240 -2.357 -12.689 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.899 -1.487 -14.115 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.003 -1.777 -11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.402 -3.473 -11.859 1.00 0.00 H new ATOM 0 HG LEU A 124 0.179 -2.492 -13.021 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.306 -2.824 -10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.138 -1.482 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.280 -3.058 -10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.948 -4.742 -12.333 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.647 -5.059 -11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.497 -4.825 -13.368 1.00 0.00 H new ATOM 1940 N ILE A 125 -2.901 -4.604 -14.500 1.00 0.00 N ATOM 1941 CA ILE A 125 -2.631 -5.819 -15.265 1.00 0.00 C ATOM 1942 C ILE A 125 -3.658 -6.047 -16.380 1.00 0.00 C ATOM 1943 O ILE A 125 -3.309 -6.567 -17.445 1.00 0.00 O ATOM 1944 CB ILE A 125 -2.549 -7.069 -14.346 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -1.983 -8.273 -15.123 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -3.918 -7.400 -13.746 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -1.679 -9.478 -14.256 1.00 0.00 C ATOM 0 H ILE A 125 -3.698 -4.668 -13.866 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.659 -5.672 -15.735 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.871 -6.843 -13.523 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.697 -8.563 -15.893 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.070 -7.966 -15.634 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.832 -8.279 -13.107 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.270 -6.555 -13.155 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.628 -7.602 -14.548 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.285 -10.283 -14.877 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -0.941 -9.206 -13.502 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.593 -9.813 -13.765 1.00 0.00 H new ATOM 1959 N GLU A 126 -4.909 -5.646 -16.156 1.00 0.00 N ATOM 1960 CA GLU A 126 -5.954 -5.843 -17.161 1.00 0.00 C ATOM 1961 C GLU A 126 -5.874 -4.750 -18.226 1.00 0.00 C ATOM 1962 O GLU A 126 -5.920 -3.558 -17.860 1.00 0.00 O ATOM 1963 CB GLU A 126 -7.350 -5.872 -16.519 1.00 0.00 C ATOM 1964 CG GLU A 126 -7.574 -7.055 -15.580 1.00 0.00 C ATOM 1965 CD GLU A 126 -9.012 -7.156 -15.091 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -9.900 -7.501 -15.907 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -9.263 -6.912 -13.889 1.00 0.00 O ATOM 1968 OXT GLU A 126 -5.772 -5.082 -19.425 1.00 0.00 O ATOM 0 H GLU A 126 -5.221 -5.189 -15.299 1.00 0.00 H new ATOM 0 HA GLU A 126 -5.789 -6.810 -17.636 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.504 -4.946 -15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.102 -5.899 -17.308 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -7.304 -7.977 -16.094 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -6.909 -6.963 -14.722 1.00 0.00 H new TER 1975 GLU A 126