USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 953 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 95 LYS NZ :NH3+ -107:sc= 1.13 (180deg=0.0227) USER MOD Set 1.2: A 96 GLN : amide:sc= 0.966 K(o=2.1,f=-6!) USER MOD Set 2.1: A 48 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.3!) USER MOD Set 2.2: A 50 TYR OH : rot 127:sc= 0.00384 USER MOD Single : A 10 GLN : amide:sc= -0.608 K(o=-0.61,f=-2.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 18 SER OG : rot 180:sc=0.000431 USER MOD Single : A 21 GLN : amide:sc= -0.0871 X(o=-0.087,f=0.35) USER MOD Single : A 27 THR OG1 : rot 94:sc= 1.32 USER MOD Single : A 29 SER OG : rot -37:sc= 0.675 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 160:sc= -1.82! USER MOD Single : A 39 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 85:sc= 0.838 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.477) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00769 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.673 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.395 K(o=-0.39,f=-1.2) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 159:sc= -0.82 (180deg=-1.48) USER MOD Single : A 88 THR OG1 : rot 87:sc= 0.252 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.26) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -121:sc= 0.509 (180deg=-0.206) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.858 K(o=-0.86,f=-0.12) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 4 2.238 -2.377 -9.893 1.00 31.30 N ATOM 58 CA GLY A 4 2.508 -3.385 -10.902 1.00 34.01 C ATOM 59 C GLY A 4 1.239 -3.956 -11.504 1.00 64.15 C ATOM 60 O GLY A 4 1.271 -4.993 -12.168 1.00 73.14 O ATOM 0 HA2 GLY A 4 3.118 -2.949 -11.693 1.00 34.01 H new ATOM 0 HA3 GLY A 4 3.091 -4.192 -10.458 1.00 34.01 H new ATOM 64 N LEU A 5 0.120 -3.280 -11.272 1.00 74.04 N ATOM 65 CA LEU A 5 -1.166 -3.727 -11.796 1.00 75.10 C ATOM 66 C LEU A 5 -1.936 -2.565 -12.415 1.00 50.23 C ATOM 67 O LEU A 5 -1.669 -1.402 -12.116 1.00 4.34 O ATOM 68 CB LEU A 5 -1.997 -4.368 -10.683 1.00 73.53 C ATOM 69 CG LEU A 5 -1.807 -5.873 -10.485 1.00 41.34 C ATOM 70 CD1 LEU A 5 -2.158 -6.627 -11.758 1.00 73.22 C ATOM 71 CD2 LEU A 5 -0.378 -6.178 -10.060 1.00 12.15 C ATOM 0 H LEU A 5 0.077 -2.420 -10.725 1.00 74.04 H new ATOM 0 HA LEU A 5 -0.976 -4.468 -12.573 1.00 75.10 H new ATOM 0 HB2 LEU A 5 -1.760 -3.866 -9.745 1.00 73.53 H new ATOM 0 HB3 LEU A 5 -3.051 -4.179 -10.889 1.00 73.53 H new ATOM 0 HG LEU A 5 -2.479 -6.204 -9.694 1.00 41.34 H new ATOM 0 HD11 LEU A 5 -2.017 -7.696 -11.598 1.00 73.22 H new ATOM 0 HD12 LEU A 5 -3.198 -6.434 -12.020 1.00 73.22 H new ATOM 0 HD13 LEU A 5 -1.511 -6.293 -12.569 1.00 73.22 H new ATOM 0 HD21 LEU A 5 -0.261 -7.253 -9.924 1.00 12.15 H new ATOM 0 HD22 LEU A 5 0.312 -5.832 -10.830 1.00 12.15 H new ATOM 0 HD23 LEU A 5 -0.161 -5.667 -9.122 1.00 12.15 H new ATOM 83 N GLU A 6 -2.894 -2.889 -13.279 1.00 4.34 N ATOM 84 CA GLU A 6 -3.703 -1.871 -13.938 1.00 43.35 C ATOM 85 C GLU A 6 -5.067 -1.741 -13.267 1.00 41.52 C ATOM 86 O GLU A 6 -5.785 -2.727 -13.100 1.00 42.03 O ATOM 87 CB GLU A 6 -3.881 -2.210 -15.420 1.00 32.53 C ATOM 88 CG GLU A 6 -2.608 -2.697 -16.090 1.00 45.04 C ATOM 89 CD GLU A 6 -2.836 -3.144 -17.521 1.00 62.22 C ATOM 90 OE1 GLU A 6 -3.188 -4.325 -17.725 1.00 42.45 O ATOM 91 OE2 GLU A 6 -2.662 -2.313 -18.437 1.00 15.42 O ATOM 0 H GLU A 6 -3.128 -3.847 -13.538 1.00 4.34 H new ATOM 0 HA GLU A 6 -3.183 -0.917 -13.851 1.00 43.35 H new ATOM 0 HB2 GLU A 6 -4.650 -2.976 -15.519 1.00 32.53 H new ATOM 0 HB3 GLU A 6 -4.243 -1.326 -15.945 1.00 32.53 H new ATOM 0 HG2 GLU A 6 -1.866 -1.898 -16.077 1.00 45.04 H new ATOM 0 HG3 GLU A 6 -2.194 -3.526 -15.516 1.00 45.04 H new ATOM 98 N ILE A 7 -5.417 -0.517 -12.884 1.00 62.33 N ATOM 99 CA ILE A 7 -6.694 -0.258 -12.232 1.00 12.30 C ATOM 100 C ILE A 7 -7.282 1.074 -12.685 1.00 52.40 C ATOM 101 O ILE A 7 -6.551 2.026 -12.959 1.00 74.22 O ATOM 102 CB ILE A 7 -6.552 -0.248 -10.699 1.00 24.15 C ATOM 103 CG1 ILE A 7 -5.212 0.370 -10.293 1.00 22.30 C ATOM 104 CG2 ILE A 7 -6.679 -1.660 -10.146 1.00 11.21 C ATOM 105 CD1 ILE A 7 -4.086 -0.636 -10.201 1.00 21.22 C ATOM 0 H ILE A 7 -4.834 0.310 -13.014 1.00 62.33 H new ATOM 0 HA ILE A 7 -7.365 -1.067 -12.521 1.00 12.30 H new ATOM 0 HB ILE A 7 -7.353 0.360 -10.279 1.00 24.15 H new ATOM 0 HG12 ILE A 7 -4.942 1.140 -11.016 1.00 22.30 H new ATOM 0 HG13 ILE A 7 -5.326 0.864 -9.328 1.00 22.30 H new ATOM 0 HG21 ILE A 7 -6.576 -1.636 -9.061 1.00 11.21 H new ATOM 0 HG22 ILE A 7 -7.655 -2.068 -10.409 1.00 11.21 H new ATOM 0 HG23 ILE A 7 -5.897 -2.289 -10.571 1.00 11.21 H new ATOM 0 HD11 ILE A 7 -3.167 -0.128 -9.909 1.00 21.22 H new ATOM 0 HD12 ILE A 7 -4.334 -1.393 -9.457 1.00 21.22 H new ATOM 0 HD13 ILE A 7 -3.944 -1.113 -11.171 1.00 21.22 H new ATOM 117 N ALA A 8 -8.608 1.135 -12.760 1.00 3.15 N ATOM 118 CA ALA A 8 -9.294 2.352 -13.175 1.00 75.33 C ATOM 119 C ALA A 8 -10.237 2.850 -12.085 1.00 1.11 C ATOM 120 O ALA A 8 -10.843 2.057 -11.364 1.00 41.01 O ATOM 121 CB ALA A 8 -10.060 2.110 -14.468 1.00 14.04 C ATOM 0 H ALA A 8 -9.228 0.356 -12.539 1.00 3.15 H new ATOM 0 HA ALA A 8 -8.543 3.122 -13.348 1.00 75.33 H new ATOM 0 HB1 ALA A 8 -10.568 3.027 -14.767 1.00 14.04 H new ATOM 0 HB2 ALA A 8 -9.365 1.808 -15.252 1.00 14.04 H new ATOM 0 HB3 ALA A 8 -10.796 1.321 -14.313 1.00 14.04 H new ATOM 127 N PHE A 9 -10.355 4.169 -11.969 1.00 32.41 N ATOM 128 CA PHE A 9 -11.223 4.773 -10.965 1.00 20.24 C ATOM 129 C PHE A 9 -11.988 5.957 -11.548 1.00 72.25 C ATOM 130 O PHE A 9 -11.427 6.771 -12.281 1.00 62.32 O ATOM 131 CB PHE A 9 -10.401 5.228 -9.757 1.00 20.21 C ATOM 132 CG PHE A 9 -11.195 6.016 -8.754 1.00 65.23 C ATOM 133 CD1 PHE A 9 -12.192 5.408 -8.009 1.00 53.31 C ATOM 134 CD2 PHE A 9 -10.942 7.364 -8.556 1.00 74.25 C ATOM 135 CE1 PHE A 9 -12.924 6.131 -7.086 1.00 54.44 C ATOM 136 CE2 PHE A 9 -11.671 8.092 -7.635 1.00 31.12 C ATOM 137 CZ PHE A 9 -12.663 7.474 -6.898 1.00 43.51 C ATOM 0 H PHE A 9 -9.861 4.839 -12.558 1.00 32.41 H new ATOM 0 HA PHE A 9 -11.943 4.020 -10.644 1.00 20.24 H new ATOM 0 HB2 PHE A 9 -9.977 4.352 -9.266 1.00 20.21 H new ATOM 0 HB3 PHE A 9 -9.565 5.835 -10.104 1.00 20.21 H new ATOM 0 HD1 PHE A 9 -12.400 4.358 -8.151 1.00 53.31 H new ATOM 0 HD2 PHE A 9 -10.166 7.851 -9.128 1.00 74.25 H new ATOM 0 HE1 PHE A 9 -13.700 5.646 -6.512 1.00 54.44 H new ATOM 0 HE2 PHE A 9 -11.466 9.143 -7.491 1.00 31.12 H new ATOM 0 HZ PHE A 9 -13.233 8.040 -6.176 1.00 43.51 H new ATOM 147 N GLN A 10 -13.273 6.044 -11.218 1.00 43.42 N ATOM 148 CA GLN A 10 -14.115 7.128 -11.711 1.00 34.43 C ATOM 149 C GLN A 10 -14.239 8.237 -10.671 1.00 45.05 C ATOM 150 O GLN A 10 -13.988 8.022 -9.485 1.00 2.30 O ATOM 151 CB GLN A 10 -15.503 6.597 -12.075 1.00 12.23 C ATOM 152 CG GLN A 10 -16.326 6.170 -10.870 1.00 74.23 C ATOM 153 CD GLN A 10 -17.319 7.230 -10.436 1.00 1.22 C ATOM 154 OE1 GLN A 10 -17.253 7.737 -9.316 1.00 5.33 O ATOM 155 NE2 GLN A 10 -18.247 7.572 -11.322 1.00 62.52 N ATOM 0 H GLN A 10 -13.753 5.378 -10.612 1.00 43.42 H new ATOM 0 HA GLN A 10 -13.646 7.543 -12.603 1.00 34.43 H new ATOM 0 HB2 GLN A 10 -16.046 7.368 -12.621 1.00 12.23 H new ATOM 0 HB3 GLN A 10 -15.393 5.747 -12.749 1.00 12.23 H new ATOM 0 HG2 GLN A 10 -16.862 5.251 -11.108 1.00 74.23 H new ATOM 0 HG3 GLN A 10 -15.657 5.943 -10.040 1.00 74.23 H new ATOM 0 HE21 GLN A 10 -18.265 7.126 -12.239 1.00 62.52 H new ATOM 0 HE22 GLN A 10 -18.942 8.280 -11.085 1.00 62.52 H new ATOM 164 N THR A 11 -14.626 9.425 -11.125 1.00 12.35 N ATOM 165 CA THR A 11 -14.781 10.569 -10.235 1.00 11.13 C ATOM 166 C THR A 11 -15.688 11.627 -10.853 1.00 3.54 C ATOM 167 O THR A 11 -15.730 11.786 -12.073 1.00 74.40 O ATOM 168 CB THR A 11 -13.420 11.208 -9.899 1.00 33.24 C ATOM 169 OG1 THR A 11 -13.617 12.490 -9.293 1.00 13.23 O ATOM 170 CG2 THR A 11 -12.569 11.358 -11.150 1.00 51.15 C ATOM 0 H THR A 11 -14.838 9.620 -12.104 1.00 12.35 H new ATOM 0 HA THR A 11 -15.235 10.196 -9.317 1.00 11.13 H new ATOM 0 HB THR A 11 -12.899 10.553 -9.201 1.00 33.24 H new ATOM 0 HG1 THR A 11 -12.747 12.889 -9.081 1.00 13.23 H new ATOM 0 HG21 THR A 11 -11.613 11.811 -10.888 1.00 51.15 H new ATOM 0 HG22 THR A 11 -12.396 10.377 -11.592 1.00 51.15 H new ATOM 0 HG23 THR A 11 -13.087 11.994 -11.868 1.00 51.15 H new ATOM 178 N ILE A 12 -16.410 12.350 -10.003 1.00 50.01 N ATOM 179 CA ILE A 12 -17.314 13.395 -10.467 1.00 34.12 C ATOM 180 C ILE A 12 -17.126 14.680 -9.668 1.00 23.24 C ATOM 181 O ILE A 12 -16.902 15.748 -10.235 1.00 0.23 O ATOM 182 CB ILE A 12 -18.786 12.952 -10.365 1.00 61.22 C ATOM 183 CG1 ILE A 12 -18.905 11.445 -10.603 1.00 51.13 C ATOM 184 CG2 ILE A 12 -19.640 13.720 -11.362 1.00 55.30 C ATOM 185 CD1 ILE A 12 -18.833 10.625 -9.334 1.00 55.21 C ATOM 0 H ILE A 12 -16.386 12.231 -8.990 1.00 50.01 H new ATOM 0 HA ILE A 12 -17.070 13.581 -11.513 1.00 34.12 H new ATOM 0 HB ILE A 12 -19.148 13.172 -9.361 1.00 61.22 H new ATOM 0 HG12 ILE A 12 -19.850 11.238 -11.106 1.00 51.13 H new ATOM 0 HG13 ILE A 12 -18.109 11.128 -11.277 1.00 51.13 H new ATOM 0 HG21 ILE A 12 -20.677 13.396 -11.278 1.00 55.30 H new ATOM 0 HG22 ILE A 12 -19.575 14.787 -11.151 1.00 55.30 H new ATOM 0 HG23 ILE A 12 -19.281 13.528 -12.373 1.00 55.30 H new ATOM 0 HD11 ILE A 12 -18.924 9.567 -9.579 1.00 55.21 H new ATOM 0 HD12 ILE A 12 -17.878 10.802 -8.840 1.00 55.21 H new ATOM 0 HD13 ILE A 12 -19.645 10.914 -8.667 1.00 55.21 H new ATOM 237 N ASP A 16 -14.399 12.459 -4.453 1.00 64.10 N ATOM 238 CA ASP A 16 -13.899 11.857 -5.684 1.00 33.43 C ATOM 239 C ASP A 16 -12.609 12.533 -6.135 1.00 40.44 C ATOM 240 O ASP A 16 -11.539 11.926 -6.116 1.00 31.11 O ATOM 241 CB ASP A 16 -14.954 11.952 -6.788 1.00 5.13 C ATOM 242 CG ASP A 16 -16.325 11.510 -6.318 1.00 15.21 C ATOM 243 OD1 ASP A 16 -16.400 10.779 -5.308 1.00 12.32 O ATOM 244 OD2 ASP A 16 -17.325 11.896 -6.960 1.00 24.13 O ATOM 0 HA ASP A 16 -13.686 10.807 -5.486 1.00 33.43 H new ATOM 0 HB2 ASP A 16 -15.010 12.980 -7.146 1.00 5.13 H new ATOM 0 HB3 ASP A 16 -14.647 11.337 -7.634 1.00 5.13 H new ATOM 249 N GLU A 17 -12.719 13.794 -6.543 1.00 11.14 N ATOM 250 CA GLU A 17 -11.561 14.552 -7.001 1.00 63.01 C ATOM 251 C GLU A 17 -10.432 14.494 -5.975 1.00 52.54 C ATOM 252 O GLU A 17 -9.282 14.220 -6.317 1.00 41.31 O ATOM 253 CB GLU A 17 -11.949 16.008 -7.267 1.00 62.15 C ATOM 254 CG GLU A 17 -11.301 16.593 -8.511 1.00 71.43 C ATOM 255 CD GLU A 17 -9.940 17.200 -8.230 1.00 73.51 C ATOM 256 OE1 GLU A 17 -9.536 17.227 -7.049 1.00 34.05 O ATOM 257 OE2 GLU A 17 -9.280 17.647 -9.190 1.00 65.04 O ATOM 0 H GLU A 17 -13.598 14.311 -6.565 1.00 11.14 H new ATOM 0 HA GLU A 17 -11.209 14.102 -7.929 1.00 63.01 H new ATOM 0 HB2 GLU A 17 -13.032 16.074 -7.367 1.00 62.15 H new ATOM 0 HB3 GLU A 17 -11.671 16.613 -6.404 1.00 62.15 H new ATOM 0 HG2 GLU A 17 -11.198 15.812 -9.264 1.00 71.43 H new ATOM 0 HG3 GLU A 17 -11.955 17.357 -8.932 1.00 71.43 H new ATOM 264 N SER A 18 -10.771 14.756 -4.717 1.00 25.32 N ATOM 265 CA SER A 18 -9.786 14.738 -3.641 1.00 50.33 C ATOM 266 C SER A 18 -9.030 13.413 -3.619 1.00 3.54 C ATOM 267 O SER A 18 -7.805 13.386 -3.487 1.00 13.22 O ATOM 268 CB SER A 18 -10.469 14.972 -2.292 1.00 61.14 C ATOM 269 OG SER A 18 -11.339 16.089 -2.348 1.00 5.42 O ATOM 0 H SER A 18 -11.719 14.983 -4.417 1.00 25.32 H new ATOM 0 HA SER A 18 -9.071 15.541 -3.822 1.00 50.33 H new ATOM 0 HB2 SER A 18 -11.031 14.083 -2.007 1.00 61.14 H new ATOM 0 HB3 SER A 18 -9.715 15.133 -1.522 1.00 61.14 H new ATOM 0 HG SER A 18 -11.764 16.216 -1.474 1.00 5.42 H new ATOM 275 N LEU A 19 -9.767 12.316 -3.748 1.00 13.31 N ATOM 276 CA LEU A 19 -9.168 10.986 -3.742 1.00 41.35 C ATOM 277 C LEU A 19 -8.270 10.789 -4.959 1.00 61.25 C ATOM 278 O LEU A 19 -7.251 10.101 -4.888 1.00 12.25 O ATOM 279 CB LEU A 19 -10.259 9.914 -3.720 1.00 25.12 C ATOM 280 CG LEU A 19 -9.774 8.466 -3.637 1.00 73.24 C ATOM 281 CD1 LEU A 19 -9.451 7.932 -5.024 1.00 63.40 C ATOM 282 CD2 LEU A 19 -8.560 8.361 -2.726 1.00 60.55 C ATOM 0 H LEU A 19 -10.781 12.321 -3.858 1.00 13.31 H new ATOM 0 HA LEU A 19 -8.558 10.893 -2.844 1.00 41.35 H new ATOM 0 HB2 LEU A 19 -10.913 10.107 -2.869 1.00 25.12 H new ATOM 0 HB3 LEU A 19 -10.865 10.022 -4.619 1.00 25.12 H new ATOM 0 HG LEU A 19 -10.574 7.858 -3.213 1.00 73.24 H new ATOM 0 HD11 LEU A 19 -9.107 6.901 -4.946 1.00 63.40 H new ATOM 0 HD12 LEU A 19 -10.345 7.970 -5.646 1.00 63.40 H new ATOM 0 HD13 LEU A 19 -8.668 8.542 -5.476 1.00 63.40 H new ATOM 0 HD21 LEU A 19 -8.229 7.324 -2.679 1.00 60.55 H new ATOM 0 HD22 LEU A 19 -7.755 8.981 -3.120 1.00 60.55 H new ATOM 0 HD23 LEU A 19 -8.825 8.703 -1.726 1.00 60.55 H new ATOM 294 N VAL A 20 -8.654 11.398 -6.077 1.00 5.32 N ATOM 295 CA VAL A 20 -7.882 11.292 -7.309 1.00 45.41 C ATOM 296 C VAL A 20 -6.514 11.948 -7.159 1.00 4.42 C ATOM 297 O VAL A 20 -5.483 11.315 -7.386 1.00 51.43 O ATOM 298 CB VAL A 20 -8.623 11.941 -8.493 1.00 44.52 C ATOM 299 CG1 VAL A 20 -7.787 11.850 -9.761 1.00 73.10 C ATOM 300 CG2 VAL A 20 -9.982 11.289 -8.692 1.00 53.03 C ATOM 0 H VAL A 20 -9.495 11.970 -6.154 1.00 5.32 H new ATOM 0 HA VAL A 20 -7.752 10.229 -7.510 1.00 45.41 H new ATOM 0 HB VAL A 20 -8.781 12.995 -8.266 1.00 44.52 H new ATOM 0 HG11 VAL A 20 -8.327 12.314 -10.587 1.00 73.10 H new ATOM 0 HG12 VAL A 20 -6.840 12.368 -9.610 1.00 73.10 H new ATOM 0 HG13 VAL A 20 -7.595 10.803 -9.996 1.00 73.10 H new ATOM 0 HG21 VAL A 20 -10.492 11.760 -9.533 1.00 53.03 H new ATOM 0 HG22 VAL A 20 -9.849 10.227 -8.897 1.00 53.03 H new ATOM 0 HG23 VAL A 20 -10.580 11.412 -7.789 1.00 53.03 H new ATOM 310 N GLN A 21 -6.513 13.221 -6.774 1.00 24.53 N ATOM 311 CA GLN A 21 -5.270 13.963 -6.593 1.00 75.51 C ATOM 312 C GLN A 21 -4.480 13.421 -5.406 1.00 74.44 C ATOM 313 O GLN A 21 -3.253 13.510 -5.373 1.00 35.25 O ATOM 314 CB GLN A 21 -5.565 15.450 -6.389 1.00 31.55 C ATOM 315 CG GLN A 21 -5.742 16.219 -7.688 1.00 1.04 C ATOM 316 CD GLN A 21 -5.767 17.720 -7.478 1.00 5.20 C ATOM 317 OE1 GLN A 21 -6.833 18.325 -7.365 1.00 1.44 O ATOM 318 NE2 GLN A 21 -4.588 18.330 -7.425 1.00 52.20 N ATOM 0 H GLN A 21 -7.358 13.759 -6.582 1.00 24.53 H new ATOM 0 HA GLN A 21 -4.668 13.839 -7.493 1.00 75.51 H new ATOM 0 HB2 GLN A 21 -6.469 15.554 -5.789 1.00 31.55 H new ATOM 0 HB3 GLN A 21 -4.751 15.898 -5.819 1.00 31.55 H new ATOM 0 HG2 GLN A 21 -4.931 15.965 -8.370 1.00 1.04 H new ATOM 0 HG3 GLN A 21 -6.670 15.907 -8.167 1.00 1.04 H new ATOM 0 HE21 GLN A 21 -3.729 17.789 -7.523 1.00 52.20 H new ATOM 0 HE22 GLN A 21 -4.542 19.339 -7.286 1.00 52.20 H new ATOM 327 N ALA A 22 -5.192 12.859 -4.435 1.00 12.23 N ATOM 328 CA ALA A 22 -4.557 12.302 -3.247 1.00 72.40 C ATOM 329 C ALA A 22 -3.854 10.987 -3.567 1.00 33.45 C ATOM 330 O ALA A 22 -2.676 10.809 -3.256 1.00 2.15 O ATOM 331 CB ALA A 22 -5.586 12.098 -2.145 1.00 11.12 C ATOM 0 H ALA A 22 -6.209 12.777 -4.448 1.00 12.23 H new ATOM 0 HA ALA A 22 -3.805 13.011 -2.900 1.00 72.40 H new ATOM 0 HB1 ALA A 22 -5.098 11.682 -1.264 1.00 11.12 H new ATOM 0 HB2 ALA A 22 -6.040 13.055 -1.890 1.00 11.12 H new ATOM 0 HB3 ALA A 22 -6.358 11.411 -2.491 1.00 11.12 H new ATOM 337 N LEU A 23 -4.584 10.067 -4.188 1.00 51.03 N ATOM 338 CA LEU A 23 -4.030 8.767 -4.550 1.00 34.44 C ATOM 339 C LEU A 23 -2.885 8.920 -5.545 1.00 3.13 C ATOM 340 O LEU A 23 -1.916 8.162 -5.513 1.00 21.13 O ATOM 341 CB LEU A 23 -5.121 7.873 -5.144 1.00 2.33 C ATOM 342 CG LEU A 23 -5.385 8.041 -6.641 1.00 5.35 C ATOM 343 CD1 LEU A 23 -4.464 7.140 -7.449 1.00 51.41 C ATOM 344 CD2 LEU A 23 -6.842 7.744 -6.962 1.00 0.21 C ATOM 0 H LEU A 23 -5.561 10.197 -4.451 1.00 51.03 H new ATOM 0 HA LEU A 23 -3.640 8.302 -3.645 1.00 34.44 H new ATOM 0 HB2 LEU A 23 -4.852 6.833 -4.957 1.00 2.33 H new ATOM 0 HB3 LEU A 23 -6.051 8.063 -4.608 1.00 2.33 H new ATOM 0 HG LEU A 23 -5.178 9.076 -6.914 1.00 5.35 H new ATOM 0 HD11 LEU A 23 -4.666 7.273 -8.512 1.00 51.41 H new ATOM 0 HD12 LEU A 23 -3.426 7.401 -7.241 1.00 51.41 H new ATOM 0 HD13 LEU A 23 -4.639 6.100 -7.174 1.00 51.41 H new ATOM 0 HD21 LEU A 23 -7.012 7.869 -8.031 1.00 0.21 H new ATOM 0 HD22 LEU A 23 -7.076 6.719 -6.674 1.00 0.21 H new ATOM 0 HD23 LEU A 23 -7.483 8.431 -6.410 1.00 0.21 H new ATOM 356 N ALA A 24 -3.002 9.908 -6.426 1.00 62.34 N ATOM 357 CA ALA A 24 -1.974 10.163 -7.428 1.00 11.51 C ATOM 358 C ALA A 24 -0.666 10.594 -6.774 1.00 45.30 C ATOM 359 O ALA A 24 0.407 10.106 -7.128 1.00 33.45 O ATOM 360 CB ALA A 24 -2.448 11.223 -8.412 1.00 72.50 C ATOM 0 H ALA A 24 -3.798 10.545 -6.466 1.00 62.34 H new ATOM 0 HA ALA A 24 -1.791 9.235 -7.970 1.00 11.51 H new ATOM 0 HB1 ALA A 24 -1.671 11.404 -9.155 1.00 72.50 H new ATOM 0 HB2 ALA A 24 -3.353 10.877 -8.911 1.00 72.50 H new ATOM 0 HB3 ALA A 24 -2.660 12.148 -7.876 1.00 72.50 H new ATOM 366 N GLY A 25 -0.761 11.514 -5.818 1.00 73.42 N ATOM 367 CA GLY A 25 0.423 11.995 -5.131 1.00 13.31 C ATOM 368 C GLY A 25 1.028 10.949 -4.216 1.00 12.10 C ATOM 369 O GLY A 25 2.249 10.851 -4.095 1.00 0.32 O ATOM 0 H GLY A 25 -1.637 11.934 -5.508 1.00 73.42 H new ATOM 0 HA2 GLY A 25 1.166 12.303 -5.867 1.00 13.31 H new ATOM 0 HA3 GLY A 25 0.167 12.879 -4.547 1.00 13.31 H new ATOM 373 N VAL A 26 0.172 10.165 -3.568 1.00 52.22 N ATOM 374 CA VAL A 26 0.629 9.121 -2.659 1.00 12.33 C ATOM 375 C VAL A 26 1.419 8.051 -3.403 1.00 74.22 C ATOM 376 O VAL A 26 2.529 7.694 -3.008 1.00 31.15 O ATOM 377 CB VAL A 26 -0.553 8.457 -1.928 1.00 21.31 C ATOM 378 CG1 VAL A 26 -0.066 7.303 -1.064 1.00 52.02 C ATOM 379 CG2 VAL A 26 -1.305 9.480 -1.090 1.00 44.34 C ATOM 0 H VAL A 26 -0.842 10.233 -3.656 1.00 52.22 H new ATOM 0 HA VAL A 26 1.277 9.601 -1.925 1.00 12.33 H new ATOM 0 HB VAL A 26 -1.240 8.057 -2.674 1.00 21.31 H new ATOM 0 HG11 VAL A 26 -0.915 6.846 -0.555 1.00 52.02 H new ATOM 0 HG12 VAL A 26 0.424 6.559 -1.693 1.00 52.02 H new ATOM 0 HG13 VAL A 26 0.642 7.676 -0.324 1.00 52.02 H new ATOM 0 HG21 VAL A 26 -2.137 8.993 -0.581 1.00 44.34 H new ATOM 0 HG22 VAL A 26 -0.630 9.912 -0.351 1.00 44.34 H new ATOM 0 HG23 VAL A 26 -1.688 10.269 -1.737 1.00 44.34 H new ATOM 389 N THR A 27 0.839 7.541 -4.486 1.00 30.24 N ATOM 390 CA THR A 27 1.488 6.510 -5.286 1.00 53.23 C ATOM 391 C THR A 27 2.721 7.059 -5.994 1.00 42.01 C ATOM 392 O THR A 27 3.739 6.377 -6.106 1.00 62.30 O ATOM 393 CB THR A 27 0.525 5.926 -6.337 1.00 34.43 C ATOM 394 OG1 THR A 27 -0.799 5.844 -5.796 1.00 61.02 O ATOM 395 CG2 THR A 27 0.982 4.545 -6.781 1.00 64.34 C ATOM 0 H THR A 27 -0.079 7.826 -4.829 1.00 30.24 H new ATOM 0 HA THR A 27 1.788 5.719 -4.599 1.00 53.23 H new ATOM 0 HB THR A 27 0.523 6.587 -7.203 1.00 34.43 H new ATOM 0 HG1 THR A 27 -1.302 6.649 -6.040 1.00 61.02 H new ATOM 0 HG21 THR A 27 0.287 4.153 -7.523 1.00 64.34 H new ATOM 0 HG22 THR A 27 1.978 4.614 -7.218 1.00 64.34 H new ATOM 0 HG23 THR A 27 1.009 3.877 -5.920 1.00 64.34 H new ATOM 403 N ALA A 28 2.623 8.296 -6.470 1.00 4.12 N ATOM 404 CA ALA A 28 3.733 8.937 -7.164 1.00 51.44 C ATOM 405 C ALA A 28 4.856 9.291 -6.196 1.00 1.33 C ATOM 406 O ALA A 28 6.028 9.313 -6.571 1.00 3.12 O ATOM 407 CB ALA A 28 3.250 10.183 -7.893 1.00 61.44 C ATOM 0 H ALA A 28 1.787 8.874 -6.388 1.00 4.12 H new ATOM 0 HA ALA A 28 4.128 8.231 -7.894 1.00 51.44 H new ATOM 0 HB1 ALA A 28 4.089 10.652 -8.407 1.00 61.44 H new ATOM 0 HB2 ALA A 28 2.487 9.906 -8.621 1.00 61.44 H new ATOM 0 HB3 ALA A 28 2.827 10.884 -7.174 1.00 61.44 H new ATOM 413 N SER A 29 4.490 9.569 -4.948 1.00 61.33 N ATOM 414 CA SER A 29 5.467 9.926 -3.927 1.00 2.34 C ATOM 415 C SER A 29 6.228 8.694 -3.448 1.00 22.24 C ATOM 416 O SER A 29 7.454 8.711 -3.338 1.00 43.43 O ATOM 417 CB SER A 29 4.774 10.604 -2.743 1.00 30.41 C ATOM 418 OG SER A 29 3.873 9.716 -2.104 1.00 14.31 O ATOM 0 H SER A 29 3.524 9.554 -4.621 1.00 61.33 H new ATOM 0 HA SER A 29 6.180 10.622 -4.369 1.00 2.34 H new ATOM 0 HB2 SER A 29 5.521 10.946 -2.027 1.00 30.41 H new ATOM 0 HB3 SER A 29 4.236 11.487 -3.089 1.00 30.41 H new ATOM 0 HG SER A 29 3.435 9.154 -2.777 1.00 14.31 H new ATOM 424 N ASP A 30 5.492 7.625 -3.163 1.00 52.34 N ATOM 425 CA ASP A 30 6.096 6.383 -2.697 1.00 32.42 C ATOM 426 C ASP A 30 6.600 5.549 -3.871 1.00 5.51 C ATOM 427 O ASP A 30 7.376 4.610 -3.691 1.00 74.11 O ATOM 428 CB ASP A 30 5.086 5.575 -1.879 1.00 42.43 C ATOM 429 CG ASP A 30 5.757 4.625 -0.907 1.00 15.02 C ATOM 430 OD1 ASP A 30 6.527 5.101 -0.047 1.00 12.44 O ATOM 431 OD2 ASP A 30 5.510 3.405 -1.005 1.00 62.12 O ATOM 0 H ASP A 30 4.476 7.594 -3.247 1.00 52.34 H new ATOM 0 HA ASP A 30 6.946 6.637 -2.063 1.00 32.42 H new ATOM 0 HB2 ASP A 30 4.440 6.258 -1.328 1.00 42.43 H new ATOM 0 HB3 ASP A 30 4.447 5.007 -2.555 1.00 42.43 H new ATOM 436 N PHE A 31 6.155 5.899 -5.073 1.00 10.41 N ATOM 437 CA PHE A 31 6.560 5.183 -6.277 1.00 33.33 C ATOM 438 C PHE A 31 7.054 3.780 -5.934 1.00 54.15 C ATOM 439 O PHE A 31 8.224 3.445 -6.117 1.00 60.23 O ATOM 440 CB PHE A 31 7.656 5.956 -7.012 1.00 51.32 C ATOM 441 CG PHE A 31 8.535 6.763 -6.100 1.00 40.41 C ATOM 442 CD1 PHE A 31 9.263 6.148 -5.095 1.00 21.33 C ATOM 443 CD2 PHE A 31 8.634 8.137 -6.248 1.00 53.43 C ATOM 444 CE1 PHE A 31 10.072 6.888 -4.254 1.00 1.24 C ATOM 445 CE2 PHE A 31 9.441 8.883 -5.410 1.00 44.14 C ATOM 446 CZ PHE A 31 10.162 8.257 -4.412 1.00 44.34 C ATOM 0 H PHE A 31 5.514 6.674 -5.239 1.00 10.41 H new ATOM 0 HA PHE A 31 5.690 5.095 -6.927 1.00 33.33 H new ATOM 0 HB2 PHE A 31 8.274 5.252 -7.570 1.00 51.32 H new ATOM 0 HB3 PHE A 31 7.194 6.622 -7.741 1.00 51.32 H new ATOM 0 HD1 PHE A 31 9.198 5.078 -4.967 1.00 21.33 H new ATOM 0 HD2 PHE A 31 8.074 8.631 -7.028 1.00 53.43 H new ATOM 0 HE1 PHE A 31 10.634 6.396 -3.474 1.00 1.24 H new ATOM 0 HE2 PHE A 31 9.508 9.954 -5.535 1.00 44.14 H new ATOM 0 HZ PHE A 31 10.795 8.837 -3.757 1.00 44.34 H new ATOM 501 N ASP A 35 7.433 2.794 -11.685 1.00 60.31 N ATOM 502 CA ASP A 35 6.993 2.925 -13.069 1.00 44.14 C ATOM 503 C ASP A 35 5.485 3.142 -13.142 1.00 62.23 C ATOM 504 O ASP A 35 4.782 2.439 -13.868 1.00 72.43 O ATOM 505 CB ASP A 35 7.382 1.681 -13.870 1.00 52.44 C ATOM 506 CG ASP A 35 8.792 1.765 -14.422 1.00 34.11 C ATOM 507 OD1 ASP A 35 9.073 2.707 -15.192 1.00 71.24 O ATOM 508 OD2 ASP A 35 9.614 0.889 -14.082 1.00 72.22 O ATOM 0 HA ASP A 35 7.488 3.795 -13.501 1.00 44.14 H new ATOM 0 HB2 ASP A 35 7.296 0.801 -13.233 1.00 52.44 H new ATOM 0 HB3 ASP A 35 6.680 1.548 -14.693 1.00 52.44 H new ATOM 513 N ILE A 36 4.996 4.118 -12.385 1.00 74.14 N ATOM 514 CA ILE A 36 3.571 4.427 -12.365 1.00 22.54 C ATOM 515 C ILE A 36 3.135 5.099 -13.662 1.00 64.21 C ATOM 516 O ILE A 36 3.644 6.160 -14.026 1.00 74.41 O ATOM 517 CB ILE A 36 3.211 5.341 -11.179 1.00 54.43 C ATOM 518 CG1 ILE A 36 1.722 5.693 -11.213 1.00 51.40 C ATOM 519 CG2 ILE A 36 4.060 6.603 -11.207 1.00 13.51 C ATOM 520 CD1 ILE A 36 1.046 5.591 -9.864 1.00 30.53 C ATOM 0 H ILE A 36 5.565 4.708 -11.778 1.00 74.14 H new ATOM 0 HA ILE A 36 3.044 3.479 -12.256 1.00 22.54 H new ATOM 0 HB ILE A 36 3.418 4.808 -10.251 1.00 54.43 H new ATOM 0 HG12 ILE A 36 1.606 6.708 -11.593 1.00 51.40 H new ATOM 0 HG13 ILE A 36 1.216 5.030 -11.915 1.00 51.40 H new ATOM 0 HG21 ILE A 36 3.794 7.239 -10.363 1.00 13.51 H new ATOM 0 HG22 ILE A 36 5.114 6.334 -11.141 1.00 13.51 H new ATOM 0 HG23 ILE A 36 3.881 7.142 -12.138 1.00 13.51 H new ATOM 0 HD11 ILE A 36 -0.007 5.854 -9.964 1.00 30.53 H new ATOM 0 HD12 ILE A 36 1.131 4.570 -9.491 1.00 30.53 H new ATOM 0 HD13 ILE A 36 1.526 6.275 -9.164 1.00 30.53 H new ATOM 532 N LYS A 37 2.189 4.476 -14.356 1.00 63.52 N ATOM 533 CA LYS A 37 1.681 5.014 -15.612 1.00 61.34 C ATOM 534 C LYS A 37 0.179 5.263 -15.529 1.00 54.12 C ATOM 535 O LYS A 37 -0.622 4.444 -15.981 1.00 53.32 O ATOM 536 CB LYS A 37 1.986 4.053 -16.763 1.00 63.55 C ATOM 537 CG LYS A 37 3.219 4.434 -17.564 1.00 4.31 C ATOM 538 CD LYS A 37 4.497 4.067 -16.829 1.00 24.43 C ATOM 539 CE LYS A 37 5.272 5.305 -16.404 1.00 33.35 C ATOM 540 NZ LYS A 37 6.367 5.629 -17.359 1.00 53.52 N ATOM 0 H LYS A 37 1.758 3.597 -14.069 1.00 63.52 H new ATOM 0 HA LYS A 37 2.180 5.965 -15.799 1.00 61.34 H new ATOM 0 HB2 LYS A 37 2.121 3.049 -16.361 1.00 63.55 H new ATOM 0 HB3 LYS A 37 1.126 4.016 -17.432 1.00 63.55 H new ATOM 0 HG2 LYS A 37 3.196 3.930 -18.530 1.00 4.31 H new ATOM 0 HG3 LYS A 37 3.208 5.506 -17.763 1.00 4.31 H new ATOM 0 HD2 LYS A 37 4.254 3.470 -15.950 1.00 24.43 H new ATOM 0 HD3 LYS A 37 5.123 3.448 -17.472 1.00 24.43 H new ATOM 0 HE2 LYS A 37 4.591 6.153 -16.332 1.00 33.35 H new ATOM 0 HE3 LYS A 37 5.692 5.147 -15.410 1.00 33.35 H new ATOM 0 HZ1 LYS A 37 6.871 6.479 -17.034 1.00 53.52 H new ATOM 0 HZ2 LYS A 37 7.031 4.830 -17.409 1.00 53.52 H new ATOM 0 HZ3 LYS A 37 5.965 5.805 -18.302 1.00 53.52 H new ATOM 554 N TYR A 38 -0.197 6.398 -14.950 1.00 42.25 N ATOM 555 CA TYR A 38 -1.603 6.755 -14.808 1.00 35.44 C ATOM 556 C TYR A 38 -1.899 8.089 -15.486 1.00 71.31 C ATOM 557 O TYR A 38 -0.997 8.751 -15.997 1.00 72.02 O ATOM 558 CB TYR A 38 -1.985 6.826 -13.328 1.00 53.52 C ATOM 559 CG TYR A 38 -1.585 8.124 -12.662 1.00 34.50 C ATOM 560 CD1 TYR A 38 -0.247 8.452 -12.484 1.00 41.14 C ATOM 561 CD2 TYR A 38 -2.545 9.020 -12.209 1.00 74.12 C ATOM 562 CE1 TYR A 38 0.123 9.636 -11.876 1.00 24.44 C ATOM 563 CE2 TYR A 38 -2.184 10.206 -11.601 1.00 13.43 C ATOM 564 CZ TYR A 38 -0.849 10.510 -11.436 1.00 61.40 C ATOM 565 OH TYR A 38 -0.485 11.690 -10.829 1.00 72.21 O ATOM 0 H TYR A 38 0.453 7.087 -14.571 1.00 42.25 H new ATOM 0 HA TYR A 38 -2.198 5.982 -15.294 1.00 35.44 H new ATOM 0 HB2 TYR A 38 -3.063 6.695 -13.233 1.00 53.52 H new ATOM 0 HB3 TYR A 38 -1.515 5.996 -12.800 1.00 53.52 H new ATOM 0 HD1 TYR A 38 0.517 7.770 -12.827 1.00 41.14 H new ATOM 0 HD2 TYR A 38 -3.592 8.785 -12.335 1.00 74.12 H new ATOM 0 HE1 TYR A 38 1.168 9.876 -11.746 1.00 24.44 H new ATOM 0 HE2 TYR A 38 -2.943 10.892 -11.256 1.00 13.43 H new ATOM 0 HH TYR A 38 -1.233 12.322 -10.867 1.00 72.21 H new ATOM 575 N ASN A 39 -3.170 8.476 -15.486 1.00 14.33 N ATOM 576 CA ASN A 39 -3.587 9.731 -16.101 1.00 0.32 C ATOM 577 C ASN A 39 -5.038 10.051 -15.755 1.00 52.14 C ATOM 578 O ASN A 39 -5.815 9.161 -15.408 1.00 23.30 O ATOM 579 CB ASN A 39 -3.416 9.660 -17.620 1.00 12.44 C ATOM 580 CG ASN A 39 -2.433 10.691 -18.140 1.00 11.23 C ATOM 581 OD1 ASN A 39 -2.239 11.743 -17.530 1.00 50.12 O ATOM 582 ND2 ASN A 39 -1.807 10.393 -19.272 1.00 52.03 N ATOM 0 H ASN A 39 -3.929 7.939 -15.067 1.00 14.33 H new ATOM 0 HA ASN A 39 -2.955 10.527 -15.708 1.00 0.32 H new ATOM 0 HB2 ASN A 39 -3.074 8.663 -17.898 1.00 12.44 H new ATOM 0 HB3 ASN A 39 -4.383 9.810 -18.099 1.00 12.44 H new ATOM 0 HD21 ASN A 39 -1.134 11.048 -19.670 1.00 52.03 H new ATOM 0 HD22 ASN A 39 -1.999 9.509 -19.744 1.00 52.03 H new ATOM 589 N ILE A 40 -5.397 11.327 -15.854 1.00 61.30 N ATOM 590 CA ILE A 40 -6.755 11.763 -15.554 1.00 3.32 C ATOM 591 C ILE A 40 -7.366 12.510 -16.735 1.00 4.34 C ATOM 592 O ILE A 40 -6.817 13.508 -17.203 1.00 62.21 O ATOM 593 CB ILE A 40 -6.792 12.672 -14.311 1.00 51.10 C ATOM 594 CG1 ILE A 40 -5.383 12.856 -13.744 1.00 61.30 C ATOM 595 CG2 ILE A 40 -7.721 12.090 -13.257 1.00 35.33 C ATOM 596 CD1 ILE A 40 -4.866 11.642 -13.004 1.00 73.54 C ATOM 0 H ILE A 40 -4.766 12.076 -16.139 1.00 61.30 H new ATOM 0 HA ILE A 40 -7.339 10.864 -15.355 1.00 3.32 H new ATOM 0 HB ILE A 40 -7.175 13.649 -14.605 1.00 51.10 H new ATOM 0 HG12 ILE A 40 -4.700 13.092 -14.560 1.00 61.30 H new ATOM 0 HG13 ILE A 40 -5.381 13.711 -13.068 1.00 61.30 H new ATOM 0 HG21 ILE A 40 -7.736 12.744 -12.385 1.00 35.33 H new ATOM 0 HG22 ILE A 40 -8.728 12.006 -13.666 1.00 35.33 H new ATOM 0 HG23 ILE A 40 -7.365 11.102 -12.964 1.00 35.33 H new ATOM 0 HD11 ILE A 40 -3.862 11.844 -12.630 1.00 73.54 H new ATOM 0 HD12 ILE A 40 -5.527 11.417 -12.167 1.00 73.54 H new ATOM 0 HD13 ILE A 40 -4.835 10.789 -13.681 1.00 73.54 H new ATOM 608 N PHE A 41 -8.506 12.022 -17.210 1.00 72.15 N ATOM 609 CA PHE A 41 -9.193 12.644 -18.337 1.00 33.45 C ATOM 610 C PHE A 41 -10.666 12.877 -18.013 1.00 73.33 C ATOM 611 O PHE A 41 -11.279 12.111 -17.268 1.00 1.34 O ATOM 612 CB PHE A 41 -9.066 11.769 -19.585 1.00 62.42 C ATOM 613 CG PHE A 41 -9.092 10.296 -19.291 1.00 13.04 C ATOM 614 CD1 PHE A 41 -10.241 9.694 -18.804 1.00 14.14 C ATOM 615 CD2 PHE A 41 -7.968 9.514 -19.501 1.00 74.42 C ATOM 616 CE1 PHE A 41 -10.268 8.339 -18.531 1.00 10.50 C ATOM 617 CE2 PHE A 41 -7.989 8.158 -19.231 1.00 12.22 C ATOM 618 CZ PHE A 41 -9.141 7.570 -18.746 1.00 10.40 C ATOM 0 H PHE A 41 -8.974 11.198 -16.833 1.00 72.15 H new ATOM 0 HA PHE A 41 -8.724 13.609 -18.529 1.00 33.45 H new ATOM 0 HB2 PHE A 41 -9.879 12.009 -20.271 1.00 62.42 H new ATOM 0 HB3 PHE A 41 -8.135 12.013 -20.096 1.00 62.42 H new ATOM 0 HD1 PHE A 41 -11.126 10.290 -18.636 1.00 14.14 H new ATOM 0 HD2 PHE A 41 -7.065 9.969 -19.880 1.00 74.42 H new ATOM 0 HE1 PHE A 41 -11.169 7.882 -18.150 1.00 10.50 H new ATOM 0 HE2 PHE A 41 -7.106 7.559 -19.399 1.00 12.22 H new ATOM 0 HZ PHE A 41 -9.160 6.511 -18.535 1.00 10.40 H new ATOM 628 N LEU A 42 -11.229 13.939 -18.579 1.00 63.10 N ATOM 629 CA LEU A 42 -12.630 14.275 -18.352 1.00 31.23 C ATOM 630 C LEU A 42 -13.484 13.891 -19.556 1.00 12.51 C ATOM 631 O LEU A 42 -13.280 14.395 -20.661 1.00 13.24 O ATOM 632 CB LEU A 42 -12.776 15.770 -18.064 1.00 33.05 C ATOM 633 CG LEU A 42 -14.208 16.297 -17.959 1.00 71.55 C ATOM 634 CD1 LEU A 42 -14.762 16.614 -19.340 1.00 22.21 C ATOM 635 CD2 LEU A 42 -15.096 15.288 -17.245 1.00 55.52 C ATOM 0 H LEU A 42 -10.736 14.582 -19.199 1.00 63.10 H new ATOM 0 HA LEU A 42 -12.979 13.709 -17.488 1.00 31.23 H new ATOM 0 HB2 LEU A 42 -12.259 15.992 -17.130 1.00 33.05 H new ATOM 0 HB3 LEU A 42 -12.263 16.323 -18.851 1.00 33.05 H new ATOM 0 HG LEU A 42 -14.195 17.217 -17.375 1.00 71.55 H new ATOM 0 HD11 LEU A 42 -15.782 16.988 -19.246 1.00 22.21 H new ATOM 0 HD12 LEU A 42 -14.140 17.372 -19.816 1.00 22.21 H new ATOM 0 HD13 LEU A 42 -14.762 15.710 -19.949 1.00 22.21 H new ATOM 0 HD21 LEU A 42 -16.111 15.679 -17.179 1.00 55.52 H new ATOM 0 HD22 LEU A 42 -15.104 14.351 -17.802 1.00 55.52 H new ATOM 0 HD23 LEU A 42 -14.710 15.110 -16.241 1.00 55.52 H new ATOM 647 N VAL A 43 -14.443 12.998 -19.334 1.00 71.15 N ATOM 648 CA VAL A 43 -15.331 12.549 -20.400 1.00 50.34 C ATOM 649 C VAL A 43 -16.690 13.234 -20.308 1.00 71.21 C ATOM 650 O VAL A 43 -17.253 13.375 -19.222 1.00 73.44 O ATOM 651 CB VAL A 43 -15.533 11.023 -20.357 1.00 52.03 C ATOM 652 CG1 VAL A 43 -14.312 10.339 -19.761 1.00 53.13 C ATOM 653 CG2 VAL A 43 -16.787 10.674 -19.570 1.00 54.22 C ATOM 0 H VAL A 43 -14.625 12.571 -18.426 1.00 71.15 H new ATOM 0 HA VAL A 43 -14.855 12.818 -21.343 1.00 50.34 H new ATOM 0 HB VAL A 43 -15.660 10.662 -21.378 1.00 52.03 H new ATOM 0 HG11 VAL A 43 -14.473 9.261 -19.739 1.00 53.13 H new ATOM 0 HG12 VAL A 43 -13.436 10.562 -20.370 1.00 53.13 H new ATOM 0 HG13 VAL A 43 -14.150 10.703 -18.746 1.00 53.13 H new ATOM 0 HG21 VAL A 43 -16.914 9.592 -19.550 1.00 54.22 H new ATOM 0 HG22 VAL A 43 -16.692 11.047 -18.550 1.00 54.22 H new ATOM 0 HG23 VAL A 43 -17.654 11.133 -20.045 1.00 54.22 H new ATOM 663 N ASP A 44 -17.212 13.657 -21.454 1.00 0.30 N ATOM 664 CA ASP A 44 -18.507 14.326 -21.503 1.00 42.34 C ATOM 665 C ASP A 44 -19.360 13.775 -22.642 1.00 11.15 C ATOM 666 O ASP A 44 -19.127 14.082 -23.811 1.00 51.24 O ATOM 667 CB ASP A 44 -18.319 15.835 -21.674 1.00 74.42 C ATOM 668 CG ASP A 44 -19.586 16.527 -22.138 1.00 31.42 C ATOM 669 OD1 ASP A 44 -20.682 16.100 -21.719 1.00 31.14 O ATOM 670 OD2 ASP A 44 -19.482 17.494 -22.921 1.00 4.35 O ATOM 0 H ASP A 44 -16.759 13.549 -22.361 1.00 0.30 H new ATOM 0 HA ASP A 44 -19.023 14.136 -20.562 1.00 42.34 H new ATOM 0 HB2 ASP A 44 -17.998 16.268 -20.727 1.00 74.42 H new ATOM 0 HB3 ASP A 44 -17.523 16.020 -22.395 1.00 74.42 H new ATOM 675 N LEU A 45 -20.348 12.959 -22.292 1.00 12.14 N ATOM 676 CA LEU A 45 -21.236 12.363 -23.284 1.00 14.52 C ATOM 677 C LEU A 45 -22.641 12.181 -22.718 1.00 10.43 C ATOM 678 O LEU A 45 -22.828 12.121 -21.502 1.00 75.03 O ATOM 679 CB LEU A 45 -20.683 11.015 -23.749 1.00 1.42 C ATOM 680 CG LEU A 45 -20.429 10.876 -25.250 1.00 43.02 C ATOM 681 CD1 LEU A 45 -21.739 10.925 -26.020 1.00 52.22 C ATOM 682 CD2 LEU A 45 -19.482 11.965 -25.734 1.00 74.02 C ATOM 0 H LEU A 45 -20.554 12.695 -21.329 1.00 12.14 H new ATOM 0 HA LEU A 45 -21.292 13.039 -24.137 1.00 14.52 H new ATOM 0 HB2 LEU A 45 -19.746 10.828 -23.223 1.00 1.42 H new ATOM 0 HB3 LEU A 45 -21.380 10.234 -23.445 1.00 1.42 H new ATOM 0 HG LEU A 45 -19.961 9.909 -25.432 1.00 43.02 H new ATOM 0 HD11 LEU A 45 -21.538 10.825 -27.087 1.00 52.22 H new ATOM 0 HD12 LEU A 45 -22.384 10.109 -25.694 1.00 52.22 H new ATOM 0 HD13 LEU A 45 -22.236 11.877 -25.832 1.00 52.22 H new ATOM 0 HD21 LEU A 45 -19.313 11.850 -26.805 1.00 74.02 H new ATOM 0 HD22 LEU A 45 -19.922 12.943 -25.539 1.00 74.02 H new ATOM 0 HD23 LEU A 45 -18.532 11.883 -25.206 1.00 74.02 H new ATOM 694 N TYR A 46 -23.624 12.092 -23.606 1.00 53.53 N ATOM 695 CA TYR A 46 -25.012 11.917 -23.195 1.00 53.25 C ATOM 696 C TYR A 46 -25.490 13.107 -22.369 1.00 12.21 C ATOM 697 O TYR A 46 -26.319 12.962 -21.472 1.00 34.41 O ATOM 698 CB TYR A 46 -25.168 10.627 -22.390 1.00 34.45 C ATOM 699 CG TYR A 46 -24.691 9.393 -23.123 1.00 12.42 C ATOM 700 CD1 TYR A 46 -25.481 8.790 -24.094 1.00 45.13 C ATOM 701 CD2 TYR A 46 -23.452 8.831 -22.844 1.00 20.24 C ATOM 702 CE1 TYR A 46 -25.049 7.663 -24.766 1.00 71.24 C ATOM 703 CE2 TYR A 46 -23.012 7.705 -23.512 1.00 22.34 C ATOM 704 CZ TYR A 46 -23.814 7.124 -24.472 1.00 0.21 C ATOM 705 OH TYR A 46 -23.380 6.002 -25.139 1.00 23.54 O ATOM 0 H TYR A 46 -23.486 12.138 -24.616 1.00 53.53 H new ATOM 0 HA TYR A 46 -25.625 11.853 -24.094 1.00 53.25 H new ATOM 0 HB2 TYR A 46 -24.613 10.722 -21.457 1.00 34.45 H new ATOM 0 HB3 TYR A 46 -26.218 10.499 -22.125 1.00 34.45 H new ATOM 0 HD1 TYR A 46 -26.449 9.209 -24.327 1.00 45.13 H new ATOM 0 HD2 TYR A 46 -22.822 9.282 -22.092 1.00 20.24 H new ATOM 0 HE1 TYR A 46 -25.675 7.206 -25.518 1.00 71.24 H new ATOM 0 HE2 TYR A 46 -22.045 7.282 -23.284 1.00 22.34 H new ATOM 0 HH TYR A 46 -22.490 5.752 -24.814 1.00 23.54 H new ATOM 715 N GLY A 47 -24.960 14.286 -22.679 1.00 41.44 N ATOM 716 CA GLY A 47 -25.344 15.485 -21.957 1.00 44.45 C ATOM 717 C GLY A 47 -24.933 15.440 -20.499 1.00 41.51 C ATOM 718 O GLY A 47 -25.384 16.256 -19.696 1.00 12.31 O ATOM 0 H GLY A 47 -24.272 14.432 -23.417 1.00 41.44 H new ATOM 0 HA2 GLY A 47 -24.889 16.354 -22.433 1.00 44.45 H new ATOM 0 HA3 GLY A 47 -26.424 15.615 -22.023 1.00 44.45 H new ATOM 722 N GLN A 48 -24.076 14.484 -20.156 1.00 70.04 N ATOM 723 CA GLN A 48 -23.607 14.335 -18.784 1.00 11.02 C ATOM 724 C GLN A 48 -22.085 14.415 -18.717 1.00 35.42 C ATOM 725 O GLN A 48 -21.386 13.862 -19.566 1.00 50.53 O ATOM 726 CB GLN A 48 -24.086 13.005 -18.200 1.00 72.33 C ATOM 727 CG GLN A 48 -25.592 12.933 -18.006 1.00 32.12 C ATOM 728 CD GLN A 48 -26.025 13.391 -16.627 1.00 30.31 C ATOM 729 OE1 GLN A 48 -25.193 13.692 -15.771 1.00 10.04 O ATOM 730 NE2 GLN A 48 -27.333 13.446 -16.405 1.00 20.44 N ATOM 0 H GLN A 48 -23.692 13.801 -20.809 1.00 70.04 H new ATOM 0 HA GLN A 48 -24.022 15.153 -18.194 1.00 11.02 H new ATOM 0 HB2 GLN A 48 -23.774 12.195 -18.859 1.00 72.33 H new ATOM 0 HB3 GLN A 48 -23.596 12.842 -17.240 1.00 72.33 H new ATOM 0 HG2 GLN A 48 -26.082 13.550 -18.760 1.00 32.12 H new ATOM 0 HG3 GLN A 48 -25.927 11.908 -18.166 1.00 32.12 H new ATOM 0 HE21 GLN A 48 -27.987 13.187 -17.144 1.00 20.44 H new ATOM 0 HE22 GLN A 48 -27.684 13.747 -15.496 1.00 20.44 H new ATOM 739 N LYS A 49 -21.578 15.106 -17.702 1.00 33.35 N ATOM 740 CA LYS A 49 -20.139 15.258 -17.522 1.00 34.42 C ATOM 741 C LYS A 49 -19.633 14.358 -16.399 1.00 13.34 C ATOM 742 O LYS A 49 -20.212 14.320 -15.312 1.00 43.53 O ATOM 743 CB LYS A 49 -19.794 16.717 -17.216 1.00 32.21 C ATOM 744 CG LYS A 49 -20.185 17.679 -18.324 1.00 0.51 C ATOM 745 CD LYS A 49 -21.548 18.300 -18.069 1.00 35.44 C ATOM 746 CE LYS A 49 -21.468 19.817 -18.010 1.00 14.30 C ATOM 747 NZ LYS A 49 -22.819 20.443 -17.976 1.00 52.25 N ATOM 0 H LYS A 49 -22.143 15.570 -16.991 1.00 33.35 H new ATOM 0 HA LYS A 49 -19.649 14.962 -18.449 1.00 34.42 H new ATOM 0 HB2 LYS A 49 -20.294 17.014 -16.295 1.00 32.21 H new ATOM 0 HB3 LYS A 49 -18.722 16.798 -17.037 1.00 32.21 H new ATOM 0 HG2 LYS A 49 -19.435 18.466 -18.405 1.00 0.51 H new ATOM 0 HG3 LYS A 49 -20.197 17.151 -19.278 1.00 0.51 H new ATOM 0 HD2 LYS A 49 -22.238 18.002 -18.858 1.00 35.44 H new ATOM 0 HD3 LYS A 49 -21.952 17.919 -17.131 1.00 35.44 H new ATOM 0 HE2 LYS A 49 -20.906 20.117 -17.125 1.00 14.30 H new ATOM 0 HE3 LYS A 49 -20.919 20.186 -18.876 1.00 14.30 H new ATOM 0 HZ1 LYS A 49 -22.721 21.478 -17.936 1.00 52.25 H new ATOM 0 HZ2 LYS A 49 -23.346 20.178 -18.832 1.00 52.25 H new ATOM 0 HZ3 LYS A 49 -23.334 20.111 -17.136 1.00 52.25 H new ATOM 761 N TYR A 50 -18.551 13.637 -16.667 1.00 4.12 N ATOM 762 CA TYR A 50 -17.967 12.737 -15.679 1.00 14.43 C ATOM 763 C TYR A 50 -16.461 12.609 -15.881 1.00 4.23 C ATOM 764 O TYR A 50 -15.972 12.607 -17.011 1.00 1.33 O ATOM 765 CB TYR A 50 -18.624 11.358 -15.764 1.00 2.44 C ATOM 766 CG TYR A 50 -20.049 11.334 -15.259 1.00 40.02 C ATOM 767 CD1 TYR A 50 -20.330 11.469 -13.905 1.00 24.00 C ATOM 768 CD2 TYR A 50 -21.115 11.175 -16.136 1.00 43.12 C ATOM 769 CE1 TYR A 50 -21.630 11.447 -13.439 1.00 71.33 C ATOM 770 CE2 TYR A 50 -22.418 11.153 -15.680 1.00 13.13 C ATOM 771 CZ TYR A 50 -22.671 11.289 -14.331 1.00 21.04 C ATOM 772 OH TYR A 50 -23.968 11.266 -13.872 1.00 0.13 O ATOM 0 H TYR A 50 -18.060 13.658 -17.561 1.00 4.12 H new ATOM 0 HA TYR A 50 -18.147 13.158 -14.690 1.00 14.43 H new ATOM 0 HB2 TYR A 50 -18.609 11.021 -16.800 1.00 2.44 H new ATOM 0 HB3 TYR A 50 -18.032 10.646 -15.189 1.00 2.44 H new ATOM 0 HD1 TYR A 50 -19.517 11.593 -13.204 1.00 24.00 H new ATOM 0 HD2 TYR A 50 -20.921 11.067 -17.193 1.00 43.12 H new ATOM 0 HE1 TYR A 50 -21.831 11.553 -12.383 1.00 71.33 H new ATOM 0 HE2 TYR A 50 -23.235 11.030 -16.376 1.00 13.13 H new ATOM 0 HH TYR A 50 -24.501 11.925 -14.364 1.00 0.13 H new ATOM 782 N PHE A 51 -15.729 12.501 -14.776 1.00 53.54 N ATOM 783 CA PHE A 51 -14.278 12.373 -14.830 1.00 63.13 C ATOM 784 C PHE A 51 -13.849 10.934 -14.560 1.00 23.24 C ATOM 785 O PHE A 51 -14.409 10.260 -13.695 1.00 11.11 O ATOM 786 CB PHE A 51 -13.623 13.312 -13.815 1.00 33.34 C ATOM 787 CG PHE A 51 -13.896 14.765 -14.079 1.00 35.13 C ATOM 788 CD1 PHE A 51 -15.129 15.319 -13.772 1.00 22.30 C ATOM 789 CD2 PHE A 51 -12.921 15.577 -14.634 1.00 62.14 C ATOM 790 CE1 PHE A 51 -15.383 16.656 -14.013 1.00 74.34 C ATOM 791 CE2 PHE A 51 -13.169 16.914 -14.878 1.00 14.53 C ATOM 792 CZ PHE A 51 -14.403 17.454 -14.568 1.00 5.30 C ATOM 0 H PHE A 51 -16.118 12.500 -13.833 1.00 53.54 H new ATOM 0 HA PHE A 51 -13.951 12.649 -15.832 1.00 63.13 H new ATOM 0 HB2 PHE A 51 -13.979 13.059 -12.816 1.00 33.34 H new ATOM 0 HB3 PHE A 51 -12.546 13.146 -13.821 1.00 33.34 H new ATOM 0 HD1 PHE A 51 -15.900 14.699 -13.339 1.00 22.30 H new ATOM 0 HD2 PHE A 51 -11.955 15.160 -14.879 1.00 62.14 H new ATOM 0 HE1 PHE A 51 -16.347 17.076 -13.767 1.00 74.34 H new ATOM 0 HE2 PHE A 51 -12.400 17.536 -15.310 1.00 14.53 H new ATOM 0 HZ PHE A 51 -14.600 18.498 -14.760 1.00 5.30 H new ATOM 802 N ARG A 52 -12.852 10.470 -15.306 1.00 23.33 N ATOM 803 CA ARG A 52 -12.348 9.111 -15.148 1.00 72.52 C ATOM 804 C ARG A 52 -10.823 9.095 -15.128 1.00 25.14 C ATOM 805 O ARG A 52 -10.175 9.863 -15.839 1.00 44.11 O ATOM 806 CB ARG A 52 -12.863 8.219 -16.280 1.00 23.02 C ATOM 807 CG ARG A 52 -14.212 7.583 -15.988 1.00 61.44 C ATOM 808 CD ARG A 52 -15.185 7.789 -17.138 1.00 54.23 C ATOM 809 NE ARG A 52 -14.836 6.981 -18.303 1.00 44.14 N ATOM 810 CZ ARG A 52 -15.697 6.663 -19.263 1.00 14.41 C ATOM 811 NH1 ARG A 52 -16.953 7.084 -19.197 1.00 31.34 N ATOM 812 NH2 ARG A 52 -15.304 5.924 -20.292 1.00 44.00 N ATOM 0 H ARG A 52 -12.377 11.015 -16.026 1.00 23.33 H new ATOM 0 HA ARG A 52 -12.710 8.725 -14.195 1.00 72.52 H new ATOM 0 HB2 ARG A 52 -12.940 8.811 -17.192 1.00 23.02 H new ATOM 0 HB3 ARG A 52 -12.134 7.432 -16.472 1.00 23.02 H new ATOM 0 HG2 ARG A 52 -14.081 6.516 -15.807 1.00 61.44 H new ATOM 0 HG3 ARG A 52 -14.628 8.012 -15.076 1.00 61.44 H new ATOM 0 HD2 ARG A 52 -16.193 7.535 -16.810 1.00 54.23 H new ATOM 0 HD3 ARG A 52 -15.197 8.842 -17.418 1.00 54.23 H new ATOM 0 HE ARG A 52 -13.877 6.642 -18.384 1.00 44.14 H new ATOM 0 HH11 ARG A 52 -17.259 7.653 -18.408 1.00 31.34 H new ATOM 0 HH12 ARG A 52 -17.613 6.839 -19.935 1.00 31.34 H new ATOM 0 HH21 ARG A 52 -14.339 5.599 -20.347 1.00 44.00 H new ATOM 0 HH22 ARG A 52 -15.967 5.681 -21.028 1.00 44.00 H new ATOM 826 N ILE A 53 -10.256 8.216 -14.308 1.00 11.14 N ATOM 827 CA ILE A 53 -8.807 8.101 -14.195 1.00 74.41 C ATOM 828 C ILE A 53 -8.337 6.701 -14.574 1.00 65.32 C ATOM 829 O ILE A 53 -8.933 5.702 -14.168 1.00 64.04 O ATOM 830 CB ILE A 53 -8.326 8.423 -12.768 1.00 51.11 C ATOM 831 CG1 ILE A 53 -8.355 7.164 -11.900 1.00 22.41 C ATOM 832 CG2 ILE A 53 -9.187 9.517 -12.153 1.00 62.43 C ATOM 833 CD1 ILE A 53 -7.069 6.369 -11.946 1.00 24.24 C ATOM 0 H ILE A 53 -10.778 7.573 -13.712 1.00 11.14 H new ATOM 0 HA ILE A 53 -8.377 8.826 -14.886 1.00 74.41 H new ATOM 0 HB ILE A 53 -7.298 8.782 -12.819 1.00 51.11 H new ATOM 0 HG12 ILE A 53 -8.560 7.449 -10.868 1.00 22.41 H new ATOM 0 HG13 ILE A 53 -9.178 6.527 -12.225 1.00 22.41 H new ATOM 0 HG21 ILE A 53 -8.835 9.733 -11.144 1.00 62.43 H new ATOM 0 HG22 ILE A 53 -9.120 10.418 -12.762 1.00 62.43 H new ATOM 0 HG23 ILE A 53 -10.224 9.184 -12.111 1.00 62.43 H new ATOM 0 HD11 ILE A 53 -7.161 5.490 -11.307 1.00 24.24 H new ATOM 0 HD12 ILE A 53 -6.873 6.054 -12.971 1.00 24.24 H new ATOM 0 HD13 ILE A 53 -6.245 6.989 -11.593 1.00 24.24 H new ATOM 845 N LEU A 54 -7.262 6.635 -15.353 1.00 34.40 N ATOM 846 CA LEU A 54 -6.709 5.356 -15.786 1.00 2.20 C ATOM 847 C LEU A 54 -5.293 5.167 -15.251 1.00 30.31 C ATOM 848 O LEU A 54 -4.389 5.940 -15.569 1.00 32.11 O ATOM 849 CB LEU A 54 -6.705 5.271 -17.313 1.00 63.03 C ATOM 850 CG LEU A 54 -6.939 3.882 -17.909 1.00 12.24 C ATOM 851 CD1 LEU A 54 -6.623 3.879 -19.396 1.00 73.22 C ATOM 852 CD2 LEU A 54 -6.101 2.841 -17.181 1.00 44.51 C ATOM 0 H LEU A 54 -6.757 7.451 -15.697 1.00 34.40 H new ATOM 0 HA LEU A 54 -7.338 4.561 -15.386 1.00 2.20 H new ATOM 0 HB2 LEU A 54 -7.473 5.943 -17.696 1.00 63.03 H new ATOM 0 HB3 LEU A 54 -5.747 5.643 -17.675 1.00 63.03 H new ATOM 0 HG LEU A 54 -7.991 3.626 -17.782 1.00 12.24 H new ATOM 0 HD11 LEU A 54 -6.795 2.882 -19.803 1.00 73.22 H new ATOM 0 HD12 LEU A 54 -7.267 4.595 -19.906 1.00 73.22 H new ATOM 0 HD13 LEU A 54 -5.580 4.157 -19.547 1.00 73.22 H new ATOM 0 HD21 LEU A 54 -6.280 1.859 -17.618 1.00 44.51 H new ATOM 0 HD22 LEU A 54 -5.045 3.093 -17.276 1.00 44.51 H new ATOM 0 HD23 LEU A 54 -6.377 2.824 -16.127 1.00 44.51 H new ATOM 864 N PHE A 55 -5.107 4.132 -14.438 1.00 63.24 N ATOM 865 CA PHE A 55 -3.800 3.839 -13.860 1.00 14.40 C ATOM 866 C PHE A 55 -3.305 2.465 -14.301 1.00 54.25 C ATOM 867 O PHE A 55 -3.982 1.457 -14.100 1.00 25.11 O ATOM 868 CB PHE A 55 -3.870 3.903 -12.333 1.00 24.52 C ATOM 869 CG PHE A 55 -2.664 3.318 -11.653 1.00 73.14 C ATOM 870 CD1 PHE A 55 -1.400 3.478 -12.197 1.00 52.32 C ATOM 871 CD2 PHE A 55 -2.796 2.607 -10.471 1.00 42.32 C ATOM 872 CE1 PHE A 55 -0.289 2.942 -11.574 1.00 61.14 C ATOM 873 CE2 PHE A 55 -1.688 2.069 -9.844 1.00 32.03 C ATOM 874 CZ PHE A 55 -0.433 2.235 -10.397 1.00 14.44 C ATOM 0 H PHE A 55 -5.844 3.482 -14.165 1.00 63.24 H new ATOM 0 HA PHE A 55 -3.095 4.590 -14.217 1.00 14.40 H new ATOM 0 HB2 PHE A 55 -3.982 4.943 -12.026 1.00 24.52 H new ATOM 0 HB3 PHE A 55 -4.761 3.373 -11.995 1.00 24.52 H new ATOM 0 HD1 PHE A 55 -1.281 4.028 -13.119 1.00 52.32 H new ATOM 0 HD2 PHE A 55 -3.775 2.472 -10.035 1.00 42.32 H new ATOM 0 HE1 PHE A 55 0.691 3.076 -12.008 1.00 61.14 H new ATOM 0 HE2 PHE A 55 -1.803 1.519 -8.922 1.00 32.03 H new ATOM 0 HZ PHE A 55 0.433 1.813 -9.910 1.00 14.44 H new ATOM 884 N GLN A 56 -2.122 2.435 -14.905 1.00 5.10 N ATOM 885 CA GLN A 56 -1.536 1.185 -15.376 1.00 55.53 C ATOM 886 C GLN A 56 -0.062 1.098 -14.997 1.00 21.41 C ATOM 887 O GLN A 56 0.617 2.116 -14.864 1.00 72.12 O ATOM 888 CB GLN A 56 -1.693 1.065 -16.893 1.00 71.31 C ATOM 889 CG GLN A 56 -0.902 2.104 -17.671 1.00 71.21 C ATOM 890 CD GLN A 56 -0.712 1.724 -19.126 1.00 72.43 C ATOM 891 OE1 GLN A 56 -1.667 1.701 -19.904 1.00 21.34 O ATOM 892 NE2 GLN A 56 0.525 1.423 -19.503 1.00 60.42 N ATOM 0 H GLN A 56 -1.550 3.261 -15.080 1.00 5.10 H new ATOM 0 HA GLN A 56 -2.064 0.361 -14.896 1.00 55.53 H new ATOM 0 HB2 GLN A 56 -1.375 0.070 -17.205 1.00 71.31 H new ATOM 0 HB3 GLN A 56 -2.748 1.158 -17.149 1.00 71.31 H new ATOM 0 HG2 GLN A 56 -1.416 3.064 -17.614 1.00 71.21 H new ATOM 0 HG3 GLN A 56 0.074 2.237 -17.204 1.00 71.21 H new ATOM 0 HE21 GLN A 56 1.287 1.455 -18.825 1.00 60.42 H new ATOM 0 HE22 GLN A 56 0.714 1.160 -20.470 1.00 60.42 H new ATOM 901 N SER A 57 0.427 -0.126 -14.823 1.00 64.02 N ATOM 902 CA SER A 57 1.821 -0.347 -14.455 1.00 10.33 C ATOM 903 C SER A 57 2.569 -1.072 -15.569 1.00 43.32 C ATOM 904 O SER A 57 1.970 -1.515 -16.549 1.00 64.22 O ATOM 905 CB SER A 57 1.906 -1.155 -13.158 1.00 51.24 C ATOM 906 OG SER A 57 1.078 -0.596 -12.154 1.00 13.43 O ATOM 0 H SER A 57 -0.121 -0.979 -14.931 1.00 64.02 H new ATOM 0 HA SER A 57 2.289 0.625 -14.301 1.00 10.33 H new ATOM 0 HB2 SER A 57 1.607 -2.186 -13.348 1.00 51.24 H new ATOM 0 HB3 SER A 57 2.938 -1.181 -12.809 1.00 51.24 H new ATOM 0 HG SER A 57 0.164 -0.935 -12.257 1.00 13.43 H new ATOM 912 N LYS A 58 3.883 -1.189 -15.412 1.00 5.50 N ATOM 913 CA LYS A 58 4.716 -1.860 -16.403 1.00 23.25 C ATOM 914 C LYS A 58 4.959 -3.315 -16.013 1.00 3.22 C ATOM 915 O LYS A 58 5.441 -4.112 -16.818 1.00 32.10 O ATOM 916 CB LYS A 58 6.054 -1.131 -16.553 1.00 75.43 C ATOM 917 CG LYS A 58 6.641 -1.222 -17.951 1.00 25.12 C ATOM 918 CD LYS A 58 5.942 -0.276 -18.912 1.00 43.05 C ATOM 919 CE LYS A 58 6.754 0.991 -19.137 1.00 70.42 C ATOM 920 NZ LYS A 58 5.919 2.094 -19.687 1.00 41.14 N ATOM 0 H LYS A 58 4.395 -0.827 -14.607 1.00 5.50 H new ATOM 0 HA LYS A 58 4.190 -1.840 -17.357 1.00 23.25 H new ATOM 0 HB2 LYS A 58 5.918 -0.081 -16.292 1.00 75.43 H new ATOM 0 HB3 LYS A 58 6.767 -1.546 -15.841 1.00 75.43 H new ATOM 0 HG2 LYS A 58 7.705 -0.986 -17.916 1.00 25.12 H new ATOM 0 HG3 LYS A 58 6.553 -2.245 -18.318 1.00 25.12 H new ATOM 0 HD2 LYS A 58 5.779 -0.779 -19.865 1.00 43.05 H new ATOM 0 HD3 LYS A 58 4.960 -0.015 -18.517 1.00 43.05 H new ATOM 0 HE2 LYS A 58 7.200 1.309 -18.195 1.00 70.42 H new ATOM 0 HE3 LYS A 58 7.574 0.780 -19.823 1.00 70.42 H new ATOM 0 HZ1 LYS A 58 6.413 3.000 -19.559 1.00 41.14 H new ATOM 0 HZ2 LYS A 58 5.752 1.931 -20.700 1.00 41.14 H new ATOM 0 HZ3 LYS A 58 5.008 2.123 -19.186 1.00 41.14 H new ATOM 934 N LYS A 59 4.622 -3.655 -14.773 1.00 51.34 N ATOM 935 CA LYS A 59 4.800 -5.014 -14.277 1.00 4.01 C ATOM 936 C LYS A 59 3.523 -5.829 -14.452 1.00 20.15 C ATOM 937 O LYS A 59 3.494 -7.026 -14.161 1.00 54.14 O ATOM 938 CB LYS A 59 5.205 -4.991 -12.801 1.00 45.23 C ATOM 939 CG LYS A 59 6.551 -4.332 -12.550 1.00 52.02 C ATOM 940 CD LYS A 59 7.664 -5.361 -12.440 1.00 14.23 C ATOM 941 CE LYS A 59 7.941 -6.027 -13.778 1.00 64.24 C ATOM 942 NZ LYS A 59 9.323 -6.579 -13.847 1.00 51.12 N ATOM 0 H LYS A 59 4.224 -3.007 -14.093 1.00 51.34 H new ATOM 0 HA LYS A 59 5.593 -5.485 -14.858 1.00 4.01 H new ATOM 0 HB2 LYS A 59 4.440 -4.464 -12.231 1.00 45.23 H new ATOM 0 HB3 LYS A 59 5.235 -6.014 -12.425 1.00 45.23 H new ATOM 0 HG2 LYS A 59 6.774 -3.638 -13.361 1.00 52.02 H new ATOM 0 HG3 LYS A 59 6.505 -3.745 -11.632 1.00 52.02 H new ATOM 0 HD2 LYS A 59 8.572 -4.879 -12.077 1.00 14.23 H new ATOM 0 HD3 LYS A 59 7.390 -6.118 -11.705 1.00 14.23 H new ATOM 0 HE2 LYS A 59 7.221 -6.829 -13.940 1.00 64.24 H new ATOM 0 HE3 LYS A 59 7.798 -5.303 -14.580 1.00 64.24 H new ATOM 0 HZ1 LYS A 59 9.473 -7.025 -14.775 1.00 51.12 H new ATOM 0 HZ2 LYS A 59 10.011 -5.810 -13.717 1.00 51.12 H new ATOM 0 HZ3 LYS A 59 9.451 -7.288 -13.097 1.00 51.12 H new ATOM 956 N LEU A 60 2.470 -5.175 -14.928 1.00 52.13 N ATOM 957 CA LEU A 60 1.189 -5.840 -15.143 1.00 42.34 C ATOM 958 C LEU A 60 1.377 -7.151 -15.900 1.00 14.04 C ATOM 959 O LEU A 60 1.912 -7.169 -17.008 1.00 11.11 O ATOM 960 CB LEU A 60 0.240 -4.923 -15.917 1.00 12.12 C ATOM 961 CG LEU A 60 0.519 -4.776 -17.413 1.00 3.31 C ATOM 962 CD1 LEU A 60 -0.300 -5.779 -18.210 1.00 45.01 C ATOM 963 CD2 LEU A 60 0.223 -3.356 -17.874 1.00 34.13 C ATOM 0 H LEU A 60 2.477 -4.185 -15.173 1.00 52.13 H new ATOM 0 HA LEU A 60 0.755 -6.063 -14.168 1.00 42.34 H new ATOM 0 HB2 LEU A 60 -0.776 -5.297 -15.793 1.00 12.12 H new ATOM 0 HB3 LEU A 60 0.273 -3.933 -15.463 1.00 12.12 H new ATOM 0 HG LEU A 60 1.575 -4.980 -17.588 1.00 3.31 H new ATOM 0 HD11 LEU A 60 -0.088 -5.659 -19.272 1.00 45.01 H new ATOM 0 HD12 LEU A 60 -0.039 -6.791 -17.900 1.00 45.01 H new ATOM 0 HD13 LEU A 60 -1.361 -5.607 -18.030 1.00 45.01 H new ATOM 0 HD21 LEU A 60 0.427 -3.270 -18.941 1.00 34.13 H new ATOM 0 HD22 LEU A 60 -0.825 -3.123 -17.685 1.00 34.13 H new ATOM 0 HD23 LEU A 60 0.854 -2.657 -17.326 1.00 34.13 H new ATOM 975 N SER A 61 0.930 -8.247 -15.294 1.00 3.43 N ATOM 976 CA SER A 61 1.050 -9.563 -15.909 1.00 63.21 C ATOM 977 C SER A 61 -0.314 -10.082 -16.353 1.00 52.42 C ATOM 978 O SER A 61 -1.335 -9.779 -15.737 1.00 11.24 O ATOM 979 CB SER A 61 1.690 -10.550 -14.931 1.00 31.40 C ATOM 980 OG SER A 61 1.257 -10.306 -13.604 1.00 21.21 O ATOM 0 H SER A 61 0.482 -8.249 -14.378 1.00 3.43 H new ATOM 0 HA SER A 61 1.687 -9.469 -16.788 1.00 63.21 H new ATOM 0 HB2 SER A 61 1.434 -11.570 -15.219 1.00 31.40 H new ATOM 0 HB3 SER A 61 2.776 -10.467 -14.984 1.00 31.40 H new ATOM 0 HG SER A 61 1.679 -10.951 -12.998 1.00 21.21 H new ATOM 986 N GLU A 62 -0.322 -10.865 -17.427 1.00 42.45 N ATOM 987 CA GLU A 62 -1.561 -11.425 -17.955 1.00 5.41 C ATOM 988 C GLU A 62 -2.088 -12.531 -17.046 1.00 12.34 C ATOM 989 O GLU A 62 -3.293 -12.635 -16.810 1.00 3.42 O ATOM 990 CB GLU A 62 -1.338 -11.972 -19.366 1.00 74.33 C ATOM 991 CG GLU A 62 -1.696 -10.986 -20.465 1.00 43.32 C ATOM 992 CD GLU A 62 -1.958 -11.664 -21.796 1.00 23.22 C ATOM 993 OE1 GLU A 62 -0.994 -11.848 -22.569 1.00 14.13 O ATOM 994 OE2 GLU A 62 -3.127 -12.012 -22.064 1.00 11.44 O ATOM 0 H GLU A 62 0.515 -11.126 -17.948 1.00 42.45 H new ATOM 0 HA GLU A 62 -2.303 -10.627 -17.995 1.00 5.41 H new ATOM 0 HB2 GLU A 62 -0.292 -12.259 -19.474 1.00 74.33 H new ATOM 0 HB3 GLU A 62 -1.932 -12.877 -19.494 1.00 74.33 H new ATOM 0 HG2 GLU A 62 -2.581 -10.423 -20.168 1.00 43.32 H new ATOM 0 HG3 GLU A 62 -0.885 -10.267 -20.581 1.00 43.32 H new ATOM 1001 N LEU A 63 -1.179 -13.355 -16.538 1.00 64.21 N ATOM 1002 CA LEU A 63 -1.551 -14.455 -15.655 1.00 1.24 C ATOM 1003 C LEU A 63 -1.375 -14.061 -14.191 1.00 63.35 C ATOM 1004 O LEU A 63 -1.146 -12.893 -13.875 1.00 32.31 O ATOM 1005 CB LEU A 63 -0.709 -15.693 -15.967 1.00 21.15 C ATOM 1006 CG LEU A 63 -0.545 -16.038 -17.447 1.00 75.12 C ATOM 1007 CD1 LEU A 63 0.649 -15.305 -18.037 1.00 50.24 C ATOM 1008 CD2 LEU A 63 -0.395 -17.541 -17.631 1.00 60.21 C ATOM 0 H LEU A 63 -0.178 -13.283 -16.722 1.00 64.21 H new ATOM 0 HA LEU A 63 -2.602 -14.686 -15.826 1.00 1.24 H new ATOM 0 HB2 LEU A 63 0.282 -15.552 -15.536 1.00 21.15 H new ATOM 0 HB3 LEU A 63 -1.157 -16.549 -15.463 1.00 21.15 H new ATOM 0 HG LEU A 63 -1.441 -15.715 -17.977 1.00 75.12 H new ATOM 0 HD11 LEU A 63 0.750 -15.563 -19.091 1.00 50.24 H new ATOM 0 HD12 LEU A 63 0.500 -14.230 -17.939 1.00 50.24 H new ATOM 0 HD13 LEU A 63 1.554 -15.596 -17.504 1.00 50.24 H new ATOM 0 HD21 LEU A 63 -0.279 -17.768 -18.691 1.00 60.21 H new ATOM 0 HD22 LEU A 63 0.484 -17.888 -17.088 1.00 60.21 H new ATOM 0 HD23 LEU A 63 -1.282 -18.045 -17.247 1.00 60.21 H new ATOM 1020 N HIS A 64 -1.480 -15.044 -13.303 1.00 33.22 N ATOM 1021 CA HIS A 64 -1.330 -14.801 -11.872 1.00 64.15 C ATOM 1022 C HIS A 64 -2.370 -13.800 -11.379 1.00 31.20 C ATOM 1023 O HIS A 64 -2.061 -12.650 -11.066 1.00 32.30 O ATOM 1024 CB HIS A 64 0.077 -14.285 -11.567 1.00 13.02 C ATOM 1025 CG HIS A 64 1.053 -15.370 -11.232 1.00 64.13 C ATOM 1026 ND1 HIS A 64 2.000 -15.250 -10.236 1.00 74.24 N ATOM 1027 CD2 HIS A 64 1.226 -16.602 -11.767 1.00 10.50 C ATOM 1028 CE1 HIS A 64 2.713 -16.360 -10.174 1.00 61.32 C ATOM 1029 NE2 HIS A 64 2.263 -17.197 -11.092 1.00 44.33 N ATOM 0 H HIS A 64 -1.668 -16.016 -13.548 1.00 33.22 H new ATOM 0 HA HIS A 64 -1.485 -15.745 -11.349 1.00 64.15 H new ATOM 0 HB2 HIS A 64 0.446 -13.729 -12.429 1.00 13.02 H new ATOM 0 HB3 HIS A 64 0.025 -13.584 -10.734 1.00 13.02 H new ATOM 0 HD2 HIS A 64 0.655 -17.036 -12.574 1.00 10.50 H new ATOM 0 HE1 HIS A 64 3.526 -16.551 -9.489 1.00 61.32 H new ATOM 0 HE2 HIS A 64 2.627 -18.133 -11.270 1.00 44.33 H new ATOM 1037 N PRO A 65 -3.633 -14.245 -11.308 1.00 33.51 N ATOM 1038 CA PRO A 65 -4.745 -13.404 -10.854 1.00 23.54 C ATOM 1039 C PRO A 65 -4.666 -13.096 -9.362 1.00 50.44 C ATOM 1040 O PRO A 65 -5.430 -12.280 -8.848 1.00 1.33 O ATOM 1041 CB PRO A 65 -5.981 -14.254 -11.159 1.00 64.42 C ATOM 1042 CG PRO A 65 -5.486 -15.659 -11.150 1.00 63.54 C ATOM 1043 CD PRO A 65 -4.074 -15.604 -11.665 1.00 61.41 C ATOM 0 HA PRO A 65 -4.748 -12.431 -11.346 1.00 23.54 H new ATOM 0 HB2 PRO A 65 -6.759 -14.104 -10.411 1.00 64.42 H new ATOM 0 HB3 PRO A 65 -6.413 -13.993 -12.125 1.00 64.42 H new ATOM 0 HG2 PRO A 65 -5.518 -16.078 -10.144 1.00 63.54 H new ATOM 0 HG3 PRO A 65 -6.107 -16.296 -11.780 1.00 63.54 H new ATOM 0 HD2 PRO A 65 -3.447 -16.365 -11.200 1.00 61.41 H new ATOM 0 HD3 PRO A 65 -4.032 -15.770 -12.741 1.00 61.41 H new ATOM 1051 N GLU A 66 -3.737 -13.753 -8.675 1.00 14.23 N ATOM 1052 CA GLU A 66 -3.560 -13.547 -7.242 1.00 34.41 C ATOM 1053 C GLU A 66 -3.321 -12.073 -6.929 1.00 63.22 C ATOM 1054 O GLU A 66 -3.965 -11.503 -6.050 1.00 2.44 O ATOM 1055 CB GLU A 66 -2.390 -14.387 -6.725 1.00 13.45 C ATOM 1056 CG GLU A 66 -2.461 -14.676 -5.234 1.00 44.35 C ATOM 1057 CD GLU A 66 -2.053 -13.485 -4.389 1.00 44.33 C ATOM 1058 OE1 GLU A 66 -1.393 -12.573 -4.930 1.00 5.31 O ATOM 1059 OE2 GLU A 66 -2.393 -13.465 -3.188 1.00 43.40 O ATOM 0 H GLU A 66 -3.096 -14.431 -9.087 1.00 14.23 H new ATOM 0 HA GLU A 66 -4.474 -13.862 -6.740 1.00 34.41 H new ATOM 0 HB2 GLU A 66 -2.363 -15.331 -7.269 1.00 13.45 H new ATOM 0 HB3 GLU A 66 -1.457 -13.868 -6.942 1.00 13.45 H new ATOM 0 HG2 GLU A 66 -3.477 -14.971 -4.973 1.00 44.35 H new ATOM 0 HG3 GLU A 66 -1.814 -15.521 -5.000 1.00 44.35 H new ATOM 1066 N GLU A 67 -2.389 -11.464 -7.656 1.00 52.10 N ATOM 1067 CA GLU A 67 -2.063 -10.057 -7.455 1.00 54.20 C ATOM 1068 C GLU A 67 -3.234 -9.164 -7.858 1.00 62.51 C ATOM 1069 O GLU A 67 -3.488 -8.135 -7.232 1.00 64.23 O ATOM 1070 CB GLU A 67 -0.819 -9.679 -8.260 1.00 45.52 C ATOM 1071 CG GLU A 67 0.461 -10.304 -7.732 1.00 4.14 C ATOM 1072 CD GLU A 67 0.457 -11.817 -7.834 1.00 41.21 C ATOM 1073 OE1 GLU A 67 -0.070 -12.343 -8.836 1.00 52.33 O ATOM 1074 OE2 GLU A 67 0.982 -12.475 -6.911 1.00 53.22 O ATOM 0 H GLU A 67 -1.847 -11.922 -8.389 1.00 52.10 H new ATOM 0 HA GLU A 67 -1.861 -9.905 -6.395 1.00 54.20 H new ATOM 0 HB2 GLU A 67 -0.961 -9.984 -9.297 1.00 45.52 H new ATOM 0 HB3 GLU A 67 -0.711 -8.594 -8.258 1.00 45.52 H new ATOM 0 HG2 GLU A 67 1.311 -9.908 -8.289 1.00 4.14 H new ATOM 0 HG3 GLU A 67 0.600 -10.014 -6.690 1.00 4.14 H new ATOM 1081 N ARG A 68 -3.943 -9.567 -8.908 1.00 2.31 N ATOM 1082 CA ARG A 68 -5.085 -8.803 -9.396 1.00 61.53 C ATOM 1083 C ARG A 68 -6.075 -8.525 -8.269 1.00 2.11 C ATOM 1084 O ARG A 68 -6.447 -7.377 -8.024 1.00 72.22 O ATOM 1085 CB ARG A 68 -5.784 -9.559 -10.528 1.00 42.11 C ATOM 1086 CG ARG A 68 -5.714 -8.847 -11.869 1.00 74.23 C ATOM 1087 CD ARG A 68 -5.497 -9.829 -13.010 1.00 40.32 C ATOM 1088 NE ARG A 68 -6.481 -10.908 -12.999 1.00 51.30 N ATOM 1089 CZ ARG A 68 -6.655 -11.754 -14.008 1.00 31.21 C ATOM 1090 NH1 ARG A 68 -5.915 -11.647 -15.102 1.00 65.44 N ATOM 1091 NH2 ARG A 68 -7.571 -12.710 -13.923 1.00 32.32 N ATOM 0 H ARG A 68 -3.747 -10.417 -9.436 1.00 2.31 H new ATOM 0 HA ARG A 68 -4.717 -7.850 -9.776 1.00 61.53 H new ATOM 0 HB2 ARG A 68 -5.334 -10.547 -10.626 1.00 42.11 H new ATOM 0 HB3 ARG A 68 -6.830 -9.711 -10.261 1.00 42.11 H new ATOM 0 HG2 ARG A 68 -6.637 -8.292 -12.036 1.00 74.23 H new ATOM 0 HG3 ARG A 68 -4.902 -8.120 -11.854 1.00 74.23 H new ATOM 0 HD2 ARG A 68 -5.552 -9.298 -13.960 1.00 40.32 H new ATOM 0 HD3 ARG A 68 -4.495 -10.252 -12.939 1.00 40.32 H new ATOM 0 HE ARG A 68 -7.067 -11.018 -12.171 1.00 51.30 H new ATOM 0 HH11 ARG A 68 -5.210 -10.914 -15.171 1.00 65.44 H new ATOM 0 HH12 ARG A 68 -6.051 -12.298 -15.875 1.00 65.44 H new ATOM 0 HH21 ARG A 68 -8.142 -12.796 -13.082 1.00 32.32 H new ATOM 0 HH22 ARG A 68 -7.704 -13.359 -14.698 1.00 32.32 H new ATOM 1105 N LYS A 69 -6.498 -9.583 -7.585 1.00 51.24 N ATOM 1106 CA LYS A 69 -7.444 -9.454 -6.483 1.00 51.14 C ATOM 1107 C LYS A 69 -6.810 -8.721 -5.305 1.00 73.42 C ATOM 1108 O LYS A 69 -7.473 -7.950 -4.611 1.00 20.32 O ATOM 1109 CB LYS A 69 -7.930 -10.835 -6.037 1.00 52.24 C ATOM 1110 CG LYS A 69 -6.807 -11.773 -5.631 1.00 71.11 C ATOM 1111 CD LYS A 69 -7.345 -13.099 -5.120 1.00 74.03 C ATOM 1112 CE LYS A 69 -7.704 -13.023 -3.644 1.00 75.33 C ATOM 1113 NZ LYS A 69 -8.579 -14.155 -3.227 1.00 44.43 N ATOM 0 H LYS A 69 -6.200 -10.540 -7.775 1.00 51.24 H new ATOM 0 HA LYS A 69 -8.296 -8.872 -6.834 1.00 51.14 H new ATOM 0 HB2 LYS A 69 -8.614 -10.716 -5.197 1.00 52.24 H new ATOM 0 HB3 LYS A 69 -8.497 -11.291 -6.848 1.00 52.24 H new ATOM 0 HG2 LYS A 69 -6.153 -11.950 -6.485 1.00 71.11 H new ATOM 0 HG3 LYS A 69 -6.201 -11.303 -4.857 1.00 71.11 H new ATOM 0 HD2 LYS A 69 -8.226 -13.381 -5.696 1.00 74.03 H new ATOM 0 HD3 LYS A 69 -6.600 -13.879 -5.275 1.00 74.03 H new ATOM 0 HE2 LYS A 69 -6.792 -13.030 -3.047 1.00 75.33 H new ATOM 0 HE3 LYS A 69 -8.210 -12.079 -3.441 1.00 75.33 H new ATOM 0 HZ1 LYS A 69 -8.801 -14.067 -2.215 1.00 44.43 H new ATOM 0 HZ2 LYS A 69 -9.461 -14.134 -3.778 1.00 44.43 H new ATOM 0 HZ3 LYS A 69 -8.086 -15.055 -3.397 1.00 44.43 H new ATOM 1127 N LYS A 70 -5.523 -8.966 -5.086 1.00 1.14 N ATOM 1128 CA LYS A 70 -4.798 -8.328 -3.993 1.00 42.13 C ATOM 1129 C LYS A 70 -4.802 -6.811 -4.151 1.00 4.32 C ATOM 1130 O LYS A 70 -5.164 -6.082 -3.227 1.00 42.43 O ATOM 1131 CB LYS A 70 -3.357 -8.842 -3.941 1.00 34.22 C ATOM 1132 CG LYS A 70 -2.518 -8.190 -2.856 1.00 20.54 C ATOM 1133 CD LYS A 70 -1.348 -9.072 -2.450 1.00 55.14 C ATOM 1134 CE LYS A 70 -1.810 -10.271 -1.637 1.00 32.31 C ATOM 1135 NZ LYS A 70 -1.718 -10.017 -0.173 1.00 14.35 N ATOM 0 H LYS A 70 -4.960 -9.602 -5.651 1.00 1.14 H new ATOM 0 HA LYS A 70 -5.301 -8.580 -3.060 1.00 42.13 H new ATOM 0 HB2 LYS A 70 -3.370 -9.920 -3.780 1.00 34.22 H new ATOM 0 HB3 LYS A 70 -2.884 -8.670 -4.908 1.00 34.22 H new ATOM 0 HG2 LYS A 70 -2.145 -7.230 -3.211 1.00 20.54 H new ATOM 0 HG3 LYS A 70 -3.141 -7.987 -1.985 1.00 20.54 H new ATOM 0 HD2 LYS A 70 -0.824 -9.416 -3.342 1.00 55.14 H new ATOM 0 HD3 LYS A 70 -0.636 -8.488 -1.867 1.00 55.14 H new ATOM 0 HE2 LYS A 70 -2.840 -10.513 -1.900 1.00 32.31 H new ATOM 0 HE3 LYS A 70 -1.203 -11.139 -1.894 1.00 32.31 H new ATOM 0 HZ1 LYS A 70 -2.042 -10.858 0.346 1.00 14.35 H new ATOM 0 HZ2 LYS A 70 -0.731 -9.811 0.082 1.00 14.35 H new ATOM 0 HZ3 LYS A 70 -2.317 -9.204 0.077 1.00 14.35 H new ATOM 1149 N VAL A 71 -4.398 -6.341 -5.327 1.00 24.20 N ATOM 1150 CA VAL A 71 -4.357 -4.911 -5.606 1.00 51.21 C ATOM 1151 C VAL A 71 -5.763 -4.325 -5.681 1.00 62.52 C ATOM 1152 O VAL A 71 -5.988 -3.174 -5.307 1.00 64.31 O ATOM 1153 CB VAL A 71 -3.619 -4.617 -6.926 1.00 34.21 C ATOM 1154 CG1 VAL A 71 -2.208 -5.183 -6.886 1.00 72.45 C ATOM 1155 CG2 VAL A 71 -4.396 -5.181 -8.107 1.00 1.55 C ATOM 0 H VAL A 71 -4.094 -6.930 -6.102 1.00 24.20 H new ATOM 0 HA VAL A 71 -3.815 -4.444 -4.784 1.00 51.21 H new ATOM 0 HB VAL A 71 -3.548 -3.536 -7.050 1.00 34.21 H new ATOM 0 HG11 VAL A 71 -1.702 -4.966 -7.827 1.00 72.45 H new ATOM 0 HG12 VAL A 71 -1.656 -4.727 -6.064 1.00 72.45 H new ATOM 0 HG13 VAL A 71 -2.253 -6.262 -6.739 1.00 72.45 H new ATOM 0 HG21 VAL A 71 -3.861 -4.964 -9.031 1.00 1.55 H new ATOM 0 HG22 VAL A 71 -4.500 -6.260 -7.992 1.00 1.55 H new ATOM 0 HG23 VAL A 71 -5.384 -4.723 -8.144 1.00 1.55 H new ATOM 1165 N ARG A 72 -6.706 -5.126 -6.167 1.00 21.02 N ATOM 1166 CA ARG A 72 -8.091 -4.687 -6.292 1.00 24.22 C ATOM 1167 C ARG A 72 -8.663 -4.299 -4.932 1.00 4.53 C ATOM 1168 O ARG A 72 -9.173 -3.193 -4.756 1.00 4.42 O ATOM 1169 CB ARG A 72 -8.943 -5.792 -6.919 1.00 13.41 C ATOM 1170 CG ARG A 72 -8.946 -5.770 -8.439 1.00 20.33 C ATOM 1171 CD ARG A 72 -9.657 -4.539 -8.977 1.00 53.13 C ATOM 1172 NE ARG A 72 -11.014 -4.417 -8.451 1.00 51.41 N ATOM 1173 CZ ARG A 72 -11.827 -3.407 -8.742 1.00 1.12 C ATOM 1174 NH1 ARG A 72 -11.422 -2.437 -9.550 1.00 60.35 N ATOM 1175 NH2 ARG A 72 -13.048 -3.366 -8.224 1.00 23.03 N ATOM 0 H ARG A 72 -6.536 -6.082 -6.480 1.00 21.02 H new ATOM 0 HA ARG A 72 -8.111 -3.810 -6.939 1.00 24.22 H new ATOM 0 HB2 ARG A 72 -8.575 -6.760 -6.579 1.00 13.41 H new ATOM 0 HB3 ARG A 72 -9.968 -5.697 -6.561 1.00 13.41 H new ATOM 0 HG2 ARG A 72 -7.920 -5.788 -8.806 1.00 20.33 H new ATOM 0 HG3 ARG A 72 -9.436 -6.668 -8.816 1.00 20.33 H new ATOM 0 HD2 ARG A 72 -9.086 -3.648 -8.717 1.00 53.13 H new ATOM 0 HD3 ARG A 72 -9.693 -4.588 -10.065 1.00 53.13 H new ATOM 0 HE ARG A 72 -11.356 -5.147 -7.826 1.00 51.41 H new ATOM 0 HH11 ARG A 72 -10.484 -2.465 -9.950 1.00 60.35 H new ATOM 0 HH12 ARG A 72 -12.048 -1.663 -9.772 1.00 60.35 H new ATOM 0 HH21 ARG A 72 -13.363 -4.110 -7.602 1.00 23.03 H new ATOM 0 HH22 ARG A 72 -13.671 -2.590 -8.448 1.00 23.03 H new ATOM 1189 N GLU A 73 -8.574 -5.216 -3.974 1.00 21.21 N ATOM 1190 CA GLU A 73 -9.084 -4.969 -2.630 1.00 51.04 C ATOM 1191 C GLU A 73 -8.210 -3.958 -1.894 1.00 22.21 C ATOM 1192 O GLU A 73 -8.705 -3.141 -1.118 1.00 1.52 O ATOM 1193 CB GLU A 73 -9.150 -6.276 -1.838 1.00 14.05 C ATOM 1194 CG GLU A 73 -7.787 -6.876 -1.538 1.00 61.13 C ATOM 1195 CD GLU A 73 -7.879 -8.182 -0.773 1.00 55.02 C ATOM 1196 OE1 GLU A 73 -8.715 -9.031 -1.149 1.00 10.12 O ATOM 1197 OE2 GLU A 73 -7.117 -8.355 0.201 1.00 74.13 O ATOM 0 H GLU A 73 -8.154 -6.136 -4.103 1.00 21.21 H new ATOM 0 HA GLU A 73 -10.089 -4.556 -2.720 1.00 51.04 H new ATOM 0 HB2 GLU A 73 -9.673 -6.096 -0.899 1.00 14.05 H new ATOM 0 HB3 GLU A 73 -9.741 -7.001 -2.398 1.00 14.05 H new ATOM 0 HG2 GLU A 73 -7.255 -7.045 -2.474 1.00 61.13 H new ATOM 0 HG3 GLU A 73 -7.199 -6.162 -0.961 1.00 61.13 H new ATOM 1204 N LYS A 74 -6.906 -4.021 -2.142 1.00 51.22 N ATOM 1205 CA LYS A 74 -5.961 -3.112 -1.505 1.00 2.04 C ATOM 1206 C LYS A 74 -6.262 -1.664 -1.878 1.00 62.00 C ATOM 1207 O LYS A 74 -6.395 -0.803 -1.008 1.00 42.11 O ATOM 1208 CB LYS A 74 -4.528 -3.467 -1.909 1.00 52.03 C ATOM 1209 CG LYS A 74 -3.481 -2.545 -1.310 1.00 43.43 C ATOM 1210 CD LYS A 74 -3.376 -2.723 0.195 1.00 63.10 C ATOM 1211 CE LYS A 74 -2.787 -4.078 0.556 1.00 65.12 C ATOM 1212 NZ LYS A 74 -2.091 -4.048 1.872 1.00 12.24 N ATOM 0 H LYS A 74 -6.480 -4.693 -2.780 1.00 51.22 H new ATOM 0 HA LYS A 74 -6.065 -3.219 -0.425 1.00 2.04 H new ATOM 0 HB2 LYS A 74 -4.316 -4.491 -1.602 1.00 52.03 H new ATOM 0 HB3 LYS A 74 -4.448 -3.437 -2.996 1.00 52.03 H new ATOM 0 HG2 LYS A 74 -2.513 -2.745 -1.769 1.00 43.43 H new ATOM 0 HG3 LYS A 74 -3.734 -1.509 -1.538 1.00 43.43 H new ATOM 0 HD2 LYS A 74 -2.754 -1.932 0.614 1.00 63.10 H new ATOM 0 HD3 LYS A 74 -4.364 -2.623 0.644 1.00 63.10 H new ATOM 0 HE2 LYS A 74 -3.581 -4.824 0.582 1.00 65.12 H new ATOM 0 HE3 LYS A 74 -2.085 -4.387 -0.219 1.00 65.12 H new ATOM 0 HZ1 LYS A 74 -1.704 -4.990 2.081 1.00 12.24 H new ATOM 0 HZ2 LYS A 74 -1.316 -3.355 1.839 1.00 12.24 H new ATOM 0 HZ3 LYS A 74 -2.766 -3.778 2.616 1.00 12.24 H new ATOM 1226 N PHE A 75 -6.369 -1.403 -3.177 1.00 13.35 N ATOM 1227 CA PHE A 75 -6.655 -0.059 -3.665 1.00 13.32 C ATOM 1228 C PHE A 75 -8.077 0.361 -3.301 1.00 63.13 C ATOM 1229 O PHE A 75 -8.340 1.534 -3.034 1.00 71.53 O ATOM 1230 CB PHE A 75 -6.464 0.007 -5.181 1.00 50.44 C ATOM 1231 CG PHE A 75 -7.752 0.145 -5.943 1.00 25.04 C ATOM 1232 CD1 PHE A 75 -8.311 1.393 -6.163 1.00 53.01 C ATOM 1233 CD2 PHE A 75 -8.402 -0.974 -6.437 1.00 53.11 C ATOM 1234 CE1 PHE A 75 -9.496 1.523 -6.863 1.00 41.35 C ATOM 1235 CE2 PHE A 75 -9.587 -0.850 -7.138 1.00 44.25 C ATOM 1236 CZ PHE A 75 -10.135 0.400 -7.351 1.00 2.11 C ATOM 0 H PHE A 75 -6.262 -2.104 -3.910 1.00 13.35 H new ATOM 0 HA PHE A 75 -5.958 0.630 -3.188 1.00 13.32 H new ATOM 0 HB2 PHE A 75 -5.817 0.851 -5.421 1.00 50.44 H new ATOM 0 HB3 PHE A 75 -5.949 -0.894 -5.514 1.00 50.44 H new ATOM 0 HD1 PHE A 75 -7.816 2.274 -5.783 1.00 53.01 H new ATOM 0 HD2 PHE A 75 -7.978 -1.954 -6.273 1.00 53.11 H new ATOM 0 HE1 PHE A 75 -9.922 2.502 -7.028 1.00 41.35 H new ATOM 0 HE2 PHE A 75 -10.084 -1.730 -7.519 1.00 44.25 H new ATOM 0 HZ PHE A 75 -11.061 0.499 -7.898 1.00 2.11 H new ATOM 1246 N ASP A 76 -8.989 -0.605 -3.294 1.00 65.12 N ATOM 1247 CA ASP A 76 -10.383 -0.337 -2.963 1.00 74.44 C ATOM 1248 C ASP A 76 -10.507 0.238 -1.556 1.00 53.10 C ATOM 1249 O ASP A 76 -11.157 1.263 -1.350 1.00 23.33 O ATOM 1250 CB ASP A 76 -11.212 -1.618 -3.079 1.00 41.30 C ATOM 1251 CG ASP A 76 -12.069 -1.641 -4.329 1.00 35.50 C ATOM 1252 OD1 ASP A 76 -12.734 -0.623 -4.612 1.00 52.44 O ATOM 1253 OD2 ASP A 76 -12.075 -2.679 -5.024 1.00 53.53 O ATOM 0 H ASP A 76 -8.788 -1.580 -3.514 1.00 65.12 H new ATOM 0 HA ASP A 76 -10.764 0.399 -3.671 1.00 74.44 H new ATOM 0 HB2 ASP A 76 -10.545 -2.480 -3.083 1.00 41.30 H new ATOM 0 HB3 ASP A 76 -11.852 -1.714 -2.202 1.00 41.30 H new ATOM 1258 N GLU A 77 -9.881 -0.429 -0.592 1.00 21.21 N ATOM 1259 CA GLU A 77 -9.923 0.016 0.796 1.00 34.21 C ATOM 1260 C GLU A 77 -9.124 1.303 0.980 1.00 72.34 C ATOM 1261 O GLU A 77 -9.611 2.271 1.562 1.00 35.50 O ATOM 1262 CB GLU A 77 -9.376 -1.073 1.721 1.00 34.51 C ATOM 1263 CG GLU A 77 -10.279 -2.291 1.828 1.00 62.35 C ATOM 1264 CD GLU A 77 -9.633 -3.431 2.591 1.00 21.11 C ATOM 1265 OE1 GLU A 77 -8.738 -3.158 3.418 1.00 23.12 O ATOM 1266 OE2 GLU A 77 -10.022 -4.595 2.362 1.00 62.22 O ATOM 0 H GLU A 77 -9.339 -1.279 -0.746 1.00 21.21 H new ATOM 0 HA GLU A 77 -10.963 0.214 1.055 1.00 34.21 H new ATOM 0 HB2 GLU A 77 -8.397 -1.388 1.359 1.00 34.51 H new ATOM 0 HB3 GLU A 77 -9.228 -0.652 2.716 1.00 34.51 H new ATOM 0 HG2 GLU A 77 -11.208 -2.008 2.323 1.00 62.35 H new ATOM 0 HG3 GLU A 77 -10.543 -2.632 0.827 1.00 62.35 H new ATOM 1273 N ASN A 78 -7.893 1.305 0.478 1.00 33.52 N ATOM 1274 CA ASN A 78 -7.025 2.471 0.587 1.00 12.34 C ATOM 1275 C ASN A 78 -7.732 3.724 0.079 1.00 43.41 C ATOM 1276 O ASN A 78 -7.568 4.811 0.634 1.00 23.55 O ATOM 1277 CB ASN A 78 -5.732 2.246 -0.199 1.00 53.52 C ATOM 1278 CG ASN A 78 -4.655 3.251 0.160 1.00 41.41 C ATOM 1279 OD1 ASN A 78 -4.465 4.250 -0.535 1.00 33.12 O ATOM 1280 ND2 ASN A 78 -3.943 2.991 1.250 1.00 64.41 N ATOM 0 H ASN A 78 -7.475 0.512 -0.008 1.00 33.52 H new ATOM 0 HA ASN A 78 -6.781 2.615 1.640 1.00 12.34 H new ATOM 0 HB2 ASN A 78 -5.364 1.238 -0.006 1.00 53.52 H new ATOM 0 HB3 ASN A 78 -5.943 2.310 -1.266 1.00 53.52 H new ATOM 0 HD21 ASN A 78 -3.204 3.631 1.541 1.00 64.41 H new ATOM 0 HD22 ASN A 78 -4.135 2.151 1.796 1.00 64.41 H new ATOM 1287 N SER A 79 -8.518 3.565 -0.980 1.00 74.15 N ATOM 1288 CA SER A 79 -9.248 4.683 -1.566 1.00 42.43 C ATOM 1289 C SER A 79 -10.445 5.064 -0.701 1.00 10.33 C ATOM 1290 O SER A 79 -10.701 6.244 -0.461 1.00 53.43 O ATOM 1291 CB SER A 79 -9.717 4.330 -2.979 1.00 32.12 C ATOM 1292 OG SER A 79 -10.336 5.441 -3.604 1.00 1.13 O ATOM 0 H SER A 79 -8.666 2.672 -1.450 1.00 74.15 H new ATOM 0 HA SER A 79 -8.573 5.537 -1.618 1.00 42.43 H new ATOM 0 HB2 SER A 79 -8.867 4.000 -3.576 1.00 32.12 H new ATOM 0 HB3 SER A 79 -10.418 3.496 -2.935 1.00 32.12 H new ATOM 0 HG SER A 79 -10.625 5.190 -4.506 1.00 1.13 H new ATOM 1298 N ARG A 80 -11.175 4.056 -0.234 1.00 44.15 N ATOM 1299 CA ARG A 80 -12.346 4.284 0.603 1.00 23.05 C ATOM 1300 C ARG A 80 -11.935 4.746 1.998 1.00 25.14 C ATOM 1301 O ARG A 80 -12.776 5.141 2.805 1.00 22.21 O ATOM 1302 CB ARG A 80 -13.184 3.008 0.703 1.00 2.15 C ATOM 1303 CG ARG A 80 -12.806 2.122 1.879 1.00 62.31 C ATOM 1304 CD ARG A 80 -13.670 2.412 3.096 1.00 20.10 C ATOM 1305 NE ARG A 80 -14.084 1.188 3.778 1.00 50.44 N ATOM 1306 CZ ARG A 80 -15.041 0.384 3.327 1.00 4.14 C ATOM 1307 NH1 ARG A 80 -15.678 0.672 2.201 1.00 11.42 N ATOM 1308 NH2 ARG A 80 -15.361 -0.711 4.004 1.00 62.50 N ATOM 0 H ARG A 80 -10.976 3.073 -0.421 1.00 44.15 H new ATOM 0 HA ARG A 80 -12.945 5.069 0.141 1.00 23.05 H new ATOM 0 HB2 ARG A 80 -14.236 3.280 0.787 1.00 2.15 H new ATOM 0 HB3 ARG A 80 -13.075 2.438 -0.220 1.00 2.15 H new ATOM 0 HG2 ARG A 80 -12.914 1.075 1.596 1.00 62.31 H new ATOM 0 HG3 ARG A 80 -11.757 2.278 2.131 1.00 62.31 H new ATOM 0 HD2 ARG A 80 -13.117 3.045 3.790 1.00 20.10 H new ATOM 0 HD3 ARG A 80 -14.553 2.972 2.788 1.00 20.10 H new ATOM 0 HE ARG A 80 -13.613 0.937 4.647 1.00 50.44 H new ATOM 0 HH11 ARG A 80 -15.434 1.513 1.678 1.00 11.42 H new ATOM 0 HH12 ARG A 80 -16.412 0.053 1.858 1.00 11.42 H new ATOM 0 HH21 ARG A 80 -14.872 -0.936 4.871 1.00 62.50 H new ATOM 0 HH22 ARG A 80 -16.096 -1.328 3.658 1.00 62.50 H new ATOM 1322 N MET A 81 -10.636 4.693 2.275 1.00 63.42 N ATOM 1323 CA MET A 81 -10.113 5.106 3.572 1.00 12.20 C ATOM 1324 C MET A 81 -10.816 6.367 4.064 1.00 13.33 C ATOM 1325 O MET A 81 -11.265 7.189 3.266 1.00 51.30 O ATOM 1326 CB MET A 81 -8.605 5.350 3.484 1.00 15.03 C ATOM 1327 CG MET A 81 -7.777 4.081 3.602 1.00 2.24 C ATOM 1328 SD MET A 81 -7.881 3.334 5.240 1.00 63.41 S ATOM 1329 CE MET A 81 -8.443 1.685 4.824 1.00 35.23 C ATOM 0 H MET A 81 -9.926 4.368 1.618 1.00 63.42 H new ATOM 0 HA MET A 81 -10.302 4.303 4.285 1.00 12.20 H new ATOM 0 HB2 MET A 81 -8.378 5.835 2.535 1.00 15.03 H new ATOM 0 HB3 MET A 81 -8.310 6.041 4.274 1.00 15.03 H new ATOM 0 HG2 MET A 81 -8.114 3.361 2.856 1.00 2.24 H new ATOM 0 HG3 MET A 81 -6.735 4.309 3.376 1.00 2.24 H new ATOM 0 HE1 MET A 81 -8.556 1.098 5.736 1.00 35.23 H new ATOM 0 HE2 MET A 81 -9.403 1.746 4.311 1.00 35.23 H new ATOM 0 HE3 MET A 81 -7.713 1.206 4.172 1.00 35.23 H new ATOM 1339 N GLN A 82 -10.908 6.512 5.382 1.00 10.22 N ATOM 1340 CA GLN A 82 -11.558 7.673 5.979 1.00 3.03 C ATOM 1341 C GLN A 82 -10.994 8.968 5.404 1.00 52.13 C ATOM 1342 O GLN A 82 -9.966 8.962 4.726 1.00 53.42 O ATOM 1343 CB GLN A 82 -11.382 7.657 7.499 1.00 44.23 C ATOM 1344 CG GLN A 82 -11.889 6.384 8.157 1.00 42.14 C ATOM 1345 CD GLN A 82 -10.777 5.398 8.454 1.00 63.32 C ATOM 1346 OE1 GLN A 82 -10.593 4.416 7.733 1.00 3.33 O ATOM 1347 NE2 GLN A 82 -10.027 5.654 9.520 1.00 72.43 N ATOM 0 H GLN A 82 -10.541 5.841 6.056 1.00 10.22 H new ATOM 0 HA GLN A 82 -12.621 7.624 5.743 1.00 3.03 H new ATOM 0 HB2 GLN A 82 -10.325 7.782 7.735 1.00 44.23 H new ATOM 0 HB3 GLN A 82 -11.908 8.511 7.926 1.00 44.23 H new ATOM 0 HG2 GLN A 82 -12.401 6.638 9.085 1.00 42.14 H new ATOM 0 HG3 GLN A 82 -12.624 5.911 7.506 1.00 42.14 H new ATOM 0 HE21 GLN A 82 -10.215 6.479 10.089 1.00 72.43 H new ATOM 0 HE22 GLN A 82 -9.263 5.025 9.769 1.00 72.43 H new ATOM 1356 N TYR A 83 -11.674 10.076 5.678 1.00 45.22 N ATOM 1357 CA TYR A 83 -11.242 11.379 5.185 1.00 71.23 C ATOM 1358 C TYR A 83 -9.917 11.790 5.819 1.00 62.20 C ATOM 1359 O TYR A 83 -9.079 12.423 5.177 1.00 3.24 O ATOM 1360 CB TYR A 83 -12.309 12.436 5.475 1.00 42.11 C ATOM 1361 CG TYR A 83 -12.424 13.492 4.398 1.00 24.45 C ATOM 1362 CD1 TYR A 83 -11.355 14.329 4.102 1.00 21.15 C ATOM 1363 CD2 TYR A 83 -13.601 13.653 3.678 1.00 23.52 C ATOM 1364 CE1 TYR A 83 -11.455 15.295 3.120 1.00 13.33 C ATOM 1365 CE2 TYR A 83 -13.710 14.615 2.693 1.00 4.14 C ATOM 1366 CZ TYR A 83 -12.634 15.434 2.418 1.00 14.13 C ATOM 1367 OH TYR A 83 -12.739 16.395 1.439 1.00 14.21 O ATOM 0 H TYR A 83 -12.526 10.098 6.238 1.00 45.22 H new ATOM 0 HA TYR A 83 -11.099 11.302 4.107 1.00 71.23 H new ATOM 0 HB2 TYR A 83 -13.274 11.943 5.593 1.00 42.11 H new ATOM 0 HB3 TYR A 83 -12.080 12.920 6.424 1.00 42.11 H new ATOM 0 HD1 TYR A 83 -10.430 14.222 4.649 1.00 21.15 H new ATOM 0 HD2 TYR A 83 -14.446 13.015 3.892 1.00 23.52 H new ATOM 0 HE1 TYR A 83 -10.615 15.938 2.903 1.00 13.33 H new ATOM 0 HE2 TYR A 83 -14.632 14.726 2.141 1.00 4.14 H new ATOM 0 HH TYR A 83 -13.634 16.360 1.041 1.00 14.21 H new ATOM 1377 N SER A 84 -9.735 11.424 7.084 1.00 61.43 N ATOM 1378 CA SER A 84 -8.513 11.756 7.808 1.00 55.14 C ATOM 1379 C SER A 84 -7.289 11.190 7.096 1.00 62.25 C ATOM 1380 O SER A 84 -6.336 11.913 6.809 1.00 45.05 O ATOM 1381 CB SER A 84 -8.580 11.217 9.238 1.00 55.21 C ATOM 1382 OG SER A 84 -7.305 10.786 9.680 1.00 33.45 O ATOM 0 H SER A 84 -10.418 10.898 7.629 1.00 61.43 H new ATOM 0 HA SER A 84 -8.423 12.842 7.840 1.00 55.14 H new ATOM 0 HB2 SER A 84 -8.957 11.992 9.905 1.00 55.21 H new ATOM 0 HB3 SER A 84 -9.284 10.387 9.284 1.00 55.21 H new ATOM 0 HG SER A 84 -7.374 10.447 10.597 1.00 33.45 H new ATOM 1388 N GLU A 85 -7.324 9.891 6.814 1.00 5.00 N ATOM 1389 CA GLU A 85 -6.216 9.227 6.136 1.00 12.14 C ATOM 1390 C GLU A 85 -6.072 9.734 4.704 1.00 12.03 C ATOM 1391 O GLU A 85 -4.961 9.870 4.190 1.00 20.33 O ATOM 1392 CB GLU A 85 -6.426 7.711 6.134 1.00 42.42 C ATOM 1393 CG GLU A 85 -5.256 6.936 5.551 1.00 53.24 C ATOM 1394 CD GLU A 85 -4.158 6.686 6.566 1.00 42.35 C ATOM 1395 OE1 GLU A 85 -3.913 7.578 7.405 1.00 21.23 O ATOM 1396 OE2 GLU A 85 -3.543 5.600 6.520 1.00 11.42 O ATOM 0 H GLU A 85 -8.106 9.278 7.044 1.00 5.00 H new ATOM 0 HA GLU A 85 -5.300 9.459 6.679 1.00 12.14 H new ATOM 0 HB2 GLU A 85 -6.600 7.375 7.156 1.00 42.42 H new ATOM 0 HB3 GLU A 85 -7.326 7.478 5.564 1.00 42.42 H new ATOM 0 HG2 GLU A 85 -5.614 5.981 5.166 1.00 53.24 H new ATOM 0 HG3 GLU A 85 -4.845 7.487 4.705 1.00 53.24 H new ATOM 1403 N LEU A 86 -7.203 10.012 4.065 1.00 60.10 N ATOM 1404 CA LEU A 86 -7.204 10.504 2.691 1.00 35.45 C ATOM 1405 C LEU A 86 -6.532 11.870 2.602 1.00 75.15 C ATOM 1406 O LEU A 86 -5.758 12.132 1.681 1.00 15.35 O ATOM 1407 CB LEU A 86 -8.637 10.591 2.162 1.00 41.11 C ATOM 1408 CG LEU A 86 -8.854 10.103 0.729 1.00 22.43 C ATOM 1409 CD1 LEU A 86 -8.097 10.981 -0.255 1.00 23.14 C ATOM 1410 CD2 LEU A 86 -8.424 8.650 0.590 1.00 23.54 C ATOM 0 H LEU A 86 -8.131 9.905 4.476 1.00 60.10 H new ATOM 0 HA LEU A 86 -6.639 9.802 2.078 1.00 35.45 H new ATOM 0 HB2 LEU A 86 -9.283 10.013 2.823 1.00 41.11 H new ATOM 0 HB3 LEU A 86 -8.964 11.629 2.225 1.00 41.11 H new ATOM 0 HG LEU A 86 -9.918 10.170 0.500 1.00 22.43 H new ATOM 0 HD11 LEU A 86 -8.264 10.618 -1.269 1.00 23.14 H new ATOM 0 HD12 LEU A 86 -8.452 12.008 -0.174 1.00 23.14 H new ATOM 0 HD13 LEU A 86 -7.031 10.947 -0.028 1.00 23.14 H new ATOM 0 HD21 LEU A 86 -8.585 8.319 -0.436 1.00 23.54 H new ATOM 0 HD22 LEU A 86 -7.367 8.558 0.839 1.00 23.54 H new ATOM 0 HD23 LEU A 86 -9.011 8.030 1.268 1.00 23.54 H new ATOM 1422 N MET A 87 -6.832 12.736 3.564 1.00 35.32 N ATOM 1423 CA MET A 87 -6.254 14.074 3.595 1.00 13.11 C ATOM 1424 C MET A 87 -4.880 14.058 4.257 1.00 33.34 C ATOM 1425 O MET A 87 -4.052 14.937 4.016 1.00 72.43 O ATOM 1426 CB MET A 87 -7.181 15.036 4.341 1.00 53.24 C ATOM 1427 CG MET A 87 -8.017 15.911 3.420 1.00 4.11 C ATOM 1428 SD MET A 87 -7.016 17.066 2.463 1.00 11.43 S ATOM 1429 CE MET A 87 -7.079 16.307 0.842 1.00 14.03 C ATOM 0 H MET A 87 -7.472 12.535 4.332 1.00 35.32 H new ATOM 0 HA MET A 87 -6.138 14.416 2.567 1.00 13.11 H new ATOM 0 HB2 MET A 87 -7.846 14.461 4.985 1.00 53.24 H new ATOM 0 HB3 MET A 87 -6.582 15.674 4.991 1.00 53.24 H new ATOM 0 HG2 MET A 87 -8.584 15.277 2.739 1.00 4.11 H new ATOM 0 HG3 MET A 87 -8.741 16.469 4.014 1.00 4.11 H new ATOM 0 HE1 MET A 87 -6.845 17.052 0.082 1.00 14.03 H new ATOM 0 HE2 MET A 87 -6.352 15.496 0.791 1.00 14.03 H new ATOM 0 HE3 MET A 87 -8.078 15.910 0.665 1.00 14.03 H new ATOM 1439 N THR A 88 -4.644 13.052 5.095 1.00 44.44 N ATOM 1440 CA THR A 88 -3.371 12.923 5.793 1.00 61.43 C ATOM 1441 C THR A 88 -2.290 12.376 4.868 1.00 63.14 C ATOM 1442 O THR A 88 -1.194 12.931 4.779 1.00 14.21 O ATOM 1443 CB THR A 88 -3.495 12.000 7.020 1.00 1.42 C ATOM 1444 OG1 THR A 88 -3.955 12.749 8.151 1.00 70.11 O ATOM 1445 CG2 THR A 88 -2.159 11.350 7.346 1.00 42.13 C ATOM 0 H THR A 88 -5.318 12.316 5.306 1.00 44.44 H new ATOM 0 HA THR A 88 -3.090 13.922 6.125 1.00 61.43 H new ATOM 0 HB THR A 88 -4.215 11.216 6.786 1.00 1.42 H new ATOM 0 HG1 THR A 88 -4.935 12.770 8.153 1.00 70.11 H new ATOM 0 HG21 THR A 88 -2.272 10.703 8.216 1.00 42.13 H new ATOM 0 HG22 THR A 88 -1.825 10.758 6.494 1.00 42.13 H new ATOM 0 HG23 THR A 88 -1.421 12.123 7.562 1.00 42.13 H new ATOM 1453 N LYS A 89 -2.604 11.284 4.179 1.00 43.03 N ATOM 1454 CA LYS A 89 -1.660 10.662 3.258 1.00 41.04 C ATOM 1455 C LYS A 89 -1.297 11.616 2.124 1.00 21.01 C ATOM 1456 O LYS A 89 -0.350 11.374 1.375 1.00 32.31 O ATOM 1457 CB LYS A 89 -2.250 9.372 2.684 1.00 55.24 C ATOM 1458 CG LYS A 89 -1.265 8.217 2.645 1.00 74.31 C ATOM 1459 CD LYS A 89 -1.251 7.452 3.958 1.00 74.44 C ATOM 1460 CE LYS A 89 -0.108 7.903 4.853 1.00 22.44 C ATOM 1461 NZ LYS A 89 0.957 6.867 4.957 1.00 21.21 N ATOM 0 H LYS A 89 -3.506 10.811 4.241 1.00 43.03 H new ATOM 0 HA LYS A 89 -0.753 10.424 3.813 1.00 41.04 H new ATOM 0 HB2 LYS A 89 -3.115 9.081 3.281 1.00 55.24 H new ATOM 0 HB3 LYS A 89 -2.610 9.565 1.674 1.00 55.24 H new ATOM 0 HG2 LYS A 89 -1.528 7.541 1.832 1.00 74.31 H new ATOM 0 HG3 LYS A 89 -0.265 8.597 2.433 1.00 74.31 H new ATOM 0 HD2 LYS A 89 -2.199 7.598 4.476 1.00 74.44 H new ATOM 0 HD3 LYS A 89 -1.158 6.385 3.758 1.00 74.44 H new ATOM 0 HE2 LYS A 89 0.320 8.825 4.459 1.00 22.44 H new ATOM 0 HE3 LYS A 89 -0.493 8.129 5.847 1.00 22.44 H new ATOM 0 HZ1 LYS A 89 1.718 7.213 5.576 1.00 21.21 H new ATOM 0 HZ2 LYS A 89 0.555 5.995 5.356 1.00 21.21 H new ATOM 0 HZ3 LYS A 89 1.342 6.669 4.012 1.00 21.21 H new ATOM 1475 N TYR A 90 -2.054 12.701 2.005 1.00 71.22 N ATOM 1476 CA TYR A 90 -1.812 13.691 0.962 1.00 74.31 C ATOM 1477 C TYR A 90 -1.184 14.953 1.544 1.00 14.32 C ATOM 1478 O TYR A 90 -0.233 15.502 0.986 1.00 33.15 O ATOM 1479 CB TYR A 90 -3.119 14.040 0.248 1.00 15.25 C ATOM 1480 CG TYR A 90 -3.034 15.293 -0.593 1.00 44.51 C ATOM 1481 CD1 TYR A 90 -2.162 15.370 -1.673 1.00 13.33 C ATOM 1482 CD2 TYR A 90 -3.823 16.401 -0.308 1.00 62.22 C ATOM 1483 CE1 TYR A 90 -2.080 16.513 -2.444 1.00 42.41 C ATOM 1484 CE2 TYR A 90 -3.748 17.547 -1.075 1.00 11.50 C ATOM 1485 CZ TYR A 90 -2.875 17.599 -2.142 1.00 10.04 C ATOM 1486 OH TYR A 90 -2.797 18.740 -2.907 1.00 24.11 O ATOM 0 H TYR A 90 -2.840 12.917 2.618 1.00 71.22 H new ATOM 0 HA TYR A 90 -1.116 13.260 0.242 1.00 74.31 H new ATOM 0 HB2 TYR A 90 -3.410 13.204 -0.389 1.00 15.25 H new ATOM 0 HB3 TYR A 90 -3.907 14.164 0.991 1.00 15.25 H new ATOM 0 HD1 TYR A 90 -1.538 14.522 -1.913 1.00 13.33 H new ATOM 0 HD2 TYR A 90 -4.506 16.365 0.528 1.00 62.22 H new ATOM 0 HE1 TYR A 90 -1.397 16.556 -3.279 1.00 42.41 H new ATOM 0 HE2 TYR A 90 -4.370 18.398 -0.841 1.00 11.50 H new ATOM 0 HH TYR A 90 -3.424 19.409 -2.561 1.00 24.11 H new ATOM 1496 N HIS A 91 -1.723 15.409 2.671 1.00 72.03 N ATOM 1497 CA HIS A 91 -1.216 16.606 3.331 1.00 2.41 C ATOM 1498 C HIS A 91 0.003 16.279 4.189 1.00 74.11 C ATOM 1499 O HIS A 91 0.710 17.176 4.647 1.00 25.13 O ATOM 1500 CB HIS A 91 -2.307 17.239 4.195 1.00 11.12 C ATOM 1501 CG HIS A 91 -1.862 18.477 4.910 1.00 11.54 C ATOM 1502 ND1 HIS A 91 -1.460 18.481 6.230 1.00 54.45 N ATOM 1503 CD2 HIS A 91 -1.755 19.757 4.482 1.00 11.03 C ATOM 1504 CE1 HIS A 91 -1.127 19.710 6.582 1.00 13.23 C ATOM 1505 NE2 HIS A 91 -1.297 20.503 5.540 1.00 43.41 N ATOM 0 H HIS A 91 -2.511 14.967 3.145 1.00 72.03 H new ATOM 0 HA HIS A 91 -0.916 17.316 2.560 1.00 2.41 H new ATOM 0 HB2 HIS A 91 -3.163 17.481 3.565 1.00 11.12 H new ATOM 0 HB3 HIS A 91 -2.648 16.508 4.929 1.00 11.12 H new ATOM 0 HD2 HIS A 91 -1.987 20.123 3.493 1.00 11.03 H new ATOM 0 HE1 HIS A 91 -0.775 20.014 7.557 1.00 13.23 H new ATOM 0 HE2 HIS A 91 -1.117 21.507 5.524 1.00 43.41 H new ATOM 1513 N ASP A 92 0.240 14.989 4.402 1.00 3.43 N ATOM 1514 CA ASP A 92 1.373 14.543 5.205 1.00 43.41 C ATOM 1515 C ASP A 92 2.525 14.088 4.314 1.00 53.02 C ATOM 1516 O ASP A 92 3.684 14.424 4.559 1.00 41.31 O ATOM 1517 CB ASP A 92 0.950 13.405 6.135 1.00 64.15 C ATOM 1518 CG ASP A 92 1.842 13.293 7.356 1.00 70.04 C ATOM 1519 OD1 ASP A 92 1.804 14.209 8.204 1.00 23.21 O ATOM 1520 OD2 ASP A 92 2.577 12.289 7.463 1.00 13.21 O ATOM 0 H ASP A 92 -0.337 14.234 4.030 1.00 3.43 H new ATOM 0 HA ASP A 92 1.714 15.385 5.807 1.00 43.41 H new ATOM 0 HB2 ASP A 92 -0.080 13.565 6.454 1.00 64.15 H new ATOM 0 HB3 ASP A 92 0.971 12.464 5.586 1.00 64.15 H new ATOM 1525 N LEU A 93 2.198 13.321 3.280 1.00 71.41 N ATOM 1526 CA LEU A 93 3.205 12.818 2.352 1.00 70.40 C ATOM 1527 C LEU A 93 3.846 13.961 1.572 1.00 23.11 C ATOM 1528 O LEU A 93 4.912 13.800 0.976 1.00 33.13 O ATOM 1529 CB LEU A 93 2.578 11.813 1.383 1.00 0.15 C ATOM 1530 CG LEU A 93 2.274 10.429 1.956 1.00 34.55 C ATOM 1531 CD1 LEU A 93 1.788 9.492 0.861 1.00 43.23 C ATOM 1532 CD2 LEU A 93 3.503 9.854 2.645 1.00 10.34 C ATOM 0 H LEU A 93 1.244 13.034 3.063 1.00 71.41 H new ATOM 0 HA LEU A 93 3.981 12.319 2.932 1.00 70.40 H new ATOM 0 HB2 LEU A 93 1.650 12.238 1.001 1.00 0.15 H new ATOM 0 HB3 LEU A 93 3.248 11.693 0.532 1.00 0.15 H new ATOM 0 HG LEU A 93 1.481 10.531 2.697 1.00 34.55 H new ATOM 0 HD11 LEU A 93 1.577 8.512 1.288 1.00 43.23 H new ATOM 0 HD12 LEU A 93 0.880 9.896 0.413 1.00 43.23 H new ATOM 0 HD13 LEU A 93 2.558 9.396 0.096 1.00 43.23 H new ATOM 0 HD21 LEU A 93 3.267 8.868 3.047 1.00 10.34 H new ATOM 0 HD22 LEU A 93 4.317 9.767 1.925 1.00 10.34 H new ATOM 0 HD23 LEU A 93 3.807 10.514 3.458 1.00 10.34 H new ATOM 1544 N LYS A 94 3.192 15.117 1.582 1.00 53.13 N ATOM 1545 CA LYS A 94 3.698 16.290 0.879 1.00 65.32 C ATOM 1546 C LYS A 94 4.943 16.841 1.567 1.00 22.10 C ATOM 1547 O LYS A 94 5.639 17.697 1.021 1.00 2.44 O ATOM 1548 CB LYS A 94 2.620 17.373 0.808 1.00 11.00 C ATOM 1549 CG LYS A 94 1.960 17.663 2.145 1.00 21.31 C ATOM 1550 CD LYS A 94 2.408 19.000 2.710 1.00 43.31 C ATOM 1551 CE LYS A 94 3.685 18.861 3.525 1.00 12.52 C ATOM 1552 NZ LYS A 94 3.747 19.856 4.632 1.00 41.13 N ATOM 0 H LYS A 94 2.309 15.267 2.070 1.00 53.13 H new ATOM 0 HA LYS A 94 3.967 15.988 -0.133 1.00 65.32 H new ATOM 0 HB2 LYS A 94 3.064 18.292 0.425 1.00 11.00 H new ATOM 0 HB3 LYS A 94 1.856 17.067 0.094 1.00 11.00 H new ATOM 0 HG2 LYS A 94 0.877 17.663 2.025 1.00 21.31 H new ATOM 0 HG3 LYS A 94 2.203 16.869 2.851 1.00 21.31 H new ATOM 0 HD2 LYS A 94 2.570 19.705 1.895 1.00 43.31 H new ATOM 0 HD3 LYS A 94 1.618 19.414 3.337 1.00 43.31 H new ATOM 0 HE2 LYS A 94 3.745 17.854 3.938 1.00 12.52 H new ATOM 0 HE3 LYS A 94 4.548 18.990 2.872 1.00 12.52 H new ATOM 0 HZ1 LYS A 94 4.632 19.729 5.164 1.00 41.13 H new ATOM 0 HZ2 LYS A 94 3.716 20.817 4.237 1.00 41.13 H new ATOM 0 HZ3 LYS A 94 2.937 19.717 5.269 1.00 41.13 H new ATOM 1566 N LYS A 95 5.219 16.343 2.768 1.00 40.33 N ATOM 1567 CA LYS A 95 6.381 16.783 3.530 1.00 4.22 C ATOM 1568 C LYS A 95 7.667 16.557 2.741 1.00 1.21 C ATOM 1569 O LYS A 95 8.495 17.459 2.615 1.00 14.32 O ATOM 1570 CB LYS A 95 6.453 16.039 4.866 1.00 54.15 C ATOM 1571 CG LYS A 95 7.078 16.855 5.984 1.00 63.33 C ATOM 1572 CD LYS A 95 8.574 17.027 5.778 1.00 10.25 C ATOM 1573 CE LYS A 95 8.935 18.479 5.505 1.00 42.10 C ATOM 1574 NZ LYS A 95 10.274 18.607 4.865 1.00 73.52 N ATOM 0 H LYS A 95 4.653 15.634 3.234 1.00 40.33 H new ATOM 0 HA LYS A 95 6.275 17.851 3.721 1.00 4.22 H new ATOM 0 HB2 LYS A 95 5.447 15.743 5.162 1.00 54.15 H new ATOM 0 HB3 LYS A 95 7.028 15.123 4.731 1.00 54.15 H new ATOM 0 HG2 LYS A 95 6.601 17.834 6.032 1.00 63.33 H new ATOM 0 HG3 LYS A 95 6.895 16.364 6.940 1.00 63.33 H new ATOM 0 HD2 LYS A 95 9.107 16.679 6.663 1.00 10.25 H new ATOM 0 HD3 LYS A 95 8.901 16.406 4.944 1.00 10.25 H new ATOM 0 HE2 LYS A 95 8.179 18.926 4.859 1.00 42.10 H new ATOM 0 HE3 LYS A 95 8.925 19.038 6.441 1.00 42.10 H new ATOM 0 HZ1 LYS A 95 10.955 18.982 5.556 1.00 73.52 H new ATOM 0 HZ2 LYS A 95 10.593 17.673 4.537 1.00 73.52 H new ATOM 0 HZ3 LYS A 95 10.211 19.256 4.055 1.00 73.52 H new ATOM 1588 N GLN A 96 7.826 15.349 2.211 1.00 21.21 N ATOM 1589 CA GLN A 96 9.011 15.006 1.434 1.00 41.14 C ATOM 1590 C GLN A 96 8.632 14.610 0.010 1.00 25.55 C ATOM 1591 O GLN A 96 9.409 14.798 -0.925 1.00 24.34 O ATOM 1592 CB GLN A 96 9.777 13.866 2.107 1.00 75.30 C ATOM 1593 CG GLN A 96 10.249 14.197 3.513 1.00 3.22 C ATOM 1594 CD GLN A 96 11.502 15.051 3.522 1.00 63.45 C ATOM 1595 OE1 GLN A 96 11.454 16.241 3.832 1.00 4.23 O ATOM 1596 NE2 GLN A 96 12.634 14.445 3.179 1.00 15.24 N ATOM 0 H GLN A 96 7.149 14.592 2.305 1.00 21.21 H new ATOM 0 HA GLN A 96 9.652 15.886 1.389 1.00 41.14 H new ATOM 0 HB2 GLN A 96 9.139 12.983 2.145 1.00 75.30 H new ATOM 0 HB3 GLN A 96 10.641 13.608 1.494 1.00 75.30 H new ATOM 0 HG2 GLN A 96 9.454 14.719 4.046 1.00 3.22 H new ATOM 0 HG3 GLN A 96 10.441 13.271 4.055 1.00 3.22 H new ATOM 0 HE21 GLN A 96 12.628 13.456 2.929 1.00 15.24 H new ATOM 0 HE22 GLN A 96 13.509 14.969 3.166 1.00 15.24 H new ATOM 1605 N GLY A 97 7.432 14.059 -0.146 1.00 24.41 N ATOM 1606 CA GLY A 97 6.972 13.644 -1.458 1.00 71.41 C ATOM 1607 C GLY A 97 6.218 14.741 -2.182 1.00 41.50 C ATOM 1608 O GLY A 97 5.053 15.006 -1.884 1.00 3.43 O ATOM 0 H GLY A 97 6.771 13.893 0.613 1.00 24.41 H new ATOM 0 HA2 GLY A 97 7.828 13.338 -2.060 1.00 71.41 H new ATOM 0 HA3 GLY A 97 6.327 12.772 -1.354 1.00 71.41 H new ATOM 1612 N LYS A 98 6.883 15.384 -3.136 1.00 4.12 N ATOM 1613 CA LYS A 98 6.270 16.460 -3.905 1.00 42.31 C ATOM 1614 C LYS A 98 5.219 15.912 -4.865 1.00 14.44 C ATOM 1615 O LYS A 98 5.410 14.860 -5.475 1.00 2.21 O ATOM 1616 CB LYS A 98 7.338 17.229 -4.687 1.00 21.23 C ATOM 1617 CG LYS A 98 8.122 18.215 -3.838 1.00 34.24 C ATOM 1618 CD LYS A 98 7.256 19.384 -3.400 1.00 1.53 C ATOM 1619 CE LYS A 98 7.494 19.738 -1.940 1.00 2.13 C ATOM 1620 NZ LYS A 98 6.314 19.414 -1.091 1.00 3.00 N ATOM 0 H LYS A 98 7.848 15.178 -3.395 1.00 4.12 H new ATOM 0 HA LYS A 98 5.781 17.139 -3.206 1.00 42.31 H new ATOM 0 HB2 LYS A 98 8.031 16.517 -5.135 1.00 21.23 H new ATOM 0 HB3 LYS A 98 6.860 17.767 -5.506 1.00 21.23 H new ATOM 0 HG2 LYS A 98 8.519 17.706 -2.960 1.00 34.24 H new ATOM 0 HG3 LYS A 98 8.976 18.586 -4.404 1.00 34.24 H new ATOM 0 HD2 LYS A 98 7.470 20.251 -4.025 1.00 1.53 H new ATOM 0 HD3 LYS A 98 6.205 19.135 -3.549 1.00 1.53 H new ATOM 0 HE2 LYS A 98 8.366 19.196 -1.572 1.00 2.13 H new ATOM 0 HE3 LYS A 98 7.721 20.801 -1.856 1.00 2.13 H new ATOM 0 HZ1 LYS A 98 5.975 20.279 -0.623 1.00 3.00 H new ATOM 0 HZ2 LYS A 98 5.556 19.023 -1.685 1.00 3.00 H new ATOM 0 HZ3 LYS A 98 6.586 18.714 -0.371 1.00 3.00 H new ATOM 1634 N ILE A 99 4.110 16.633 -4.994 1.00 34.43 N ATOM 1635 CA ILE A 99 3.030 16.219 -5.881 1.00 53.11 C ATOM 1636 C ILE A 99 2.697 17.314 -6.890 1.00 23.44 C ATOM 1637 O ILE A 99 2.748 18.502 -6.572 1.00 44.23 O ATOM 1638 CB ILE A 99 1.757 15.861 -5.091 1.00 3.33 C ATOM 1639 CG1 ILE A 99 0.618 15.507 -6.049 1.00 1.31 C ATOM 1640 CG2 ILE A 99 1.355 17.015 -4.184 1.00 71.11 C ATOM 1641 CD1 ILE A 99 -0.677 15.163 -5.347 1.00 41.20 C ATOM 0 H ILE A 99 3.936 17.506 -4.496 1.00 34.43 H new ATOM 0 HA ILE A 99 3.380 15.333 -6.411 1.00 53.11 H new ATOM 0 HB ILE A 99 1.966 14.991 -4.469 1.00 3.33 H new ATOM 0 HG12 ILE A 99 0.445 16.347 -6.721 1.00 1.31 H new ATOM 0 HG13 ILE A 99 0.923 14.662 -6.666 1.00 1.31 H new ATOM 0 HG21 ILE A 99 0.454 16.747 -3.632 1.00 71.11 H new ATOM 0 HG22 ILE A 99 2.162 17.224 -3.482 1.00 71.11 H new ATOM 0 HG23 ILE A 99 1.161 17.902 -4.788 1.00 71.11 H new ATOM 0 HD11 ILE A 99 -1.440 14.923 -6.088 1.00 41.20 H new ATOM 0 HD12 ILE A 99 -0.520 14.303 -4.695 1.00 41.20 H new ATOM 0 HD13 ILE A 99 -1.005 16.015 -4.751 1.00 41.20 H new ATOM 1653 N LYS A 100 2.355 16.905 -8.107 1.00 33.15 N ATOM 1654 CA LYS A 100 2.010 17.849 -9.163 1.00 1.44 C ATOM 1655 C LYS A 100 0.628 17.548 -9.732 1.00 74.12 C ATOM 1656 O LYS A 100 0.264 16.387 -9.922 1.00 53.10 O ATOM 1657 CB LYS A 100 3.055 17.801 -10.279 1.00 62.04 C ATOM 1658 CG LYS A 100 4.486 17.881 -9.777 1.00 44.30 C ATOM 1659 CD LYS A 100 4.786 19.238 -9.162 1.00 0.01 C ATOM 1660 CE LYS A 100 5.193 20.252 -10.220 1.00 11.21 C ATOM 1661 NZ LYS A 100 5.764 21.487 -9.614 1.00 63.32 N ATOM 0 H LYS A 100 2.309 15.925 -8.386 1.00 33.15 H new ATOM 0 HA LYS A 100 1.995 18.850 -8.731 1.00 1.44 H new ATOM 0 HB2 LYS A 100 2.928 16.878 -10.844 1.00 62.04 H new ATOM 0 HB3 LYS A 100 2.875 18.625 -10.970 1.00 62.04 H new ATOM 0 HG2 LYS A 100 4.657 17.099 -9.037 1.00 44.30 H new ATOM 0 HG3 LYS A 100 5.173 17.695 -10.602 1.00 44.30 H new ATOM 0 HD2 LYS A 100 3.906 19.600 -8.629 1.00 0.01 H new ATOM 0 HD3 LYS A 100 5.585 19.137 -8.427 1.00 0.01 H new ATOM 0 HE2 LYS A 100 5.927 19.803 -10.890 1.00 11.21 H new ATOM 0 HE3 LYS A 100 4.325 20.513 -10.826 1.00 11.21 H new ATOM 0 HZ1 LYS A 100 6.029 22.153 -10.368 1.00 63.32 H new ATOM 0 HZ2 LYS A 100 5.055 21.929 -8.994 1.00 63.32 H new ATOM 0 HZ3 LYS A 100 6.607 21.242 -9.056 1.00 63.32 H new ATOM 1675 N ASP A 101 -0.137 18.599 -10.004 1.00 53.41 N ATOM 1676 CA ASP A 101 -1.479 18.447 -10.555 1.00 30.11 C ATOM 1677 C ASP A 101 -1.478 18.685 -12.062 1.00 31.23 C ATOM 1678 O ASP A 101 -1.582 19.822 -12.520 1.00 54.55 O ATOM 1679 CB ASP A 101 -2.446 19.416 -9.874 1.00 13.24 C ATOM 1680 CG ASP A 101 -3.827 19.391 -10.498 1.00 74.33 C ATOM 1681 OD1 ASP A 101 -4.394 18.287 -10.639 1.00 11.02 O ATOM 1682 OD2 ASP A 101 -4.341 20.474 -10.847 1.00 51.35 O ATOM 0 H ASP A 101 0.149 19.566 -9.852 1.00 53.41 H new ATOM 0 HA ASP A 101 -1.808 17.425 -10.367 1.00 30.11 H new ATOM 0 HB2 ASP A 101 -2.524 19.164 -8.817 1.00 13.24 H new ATOM 0 HB3 ASP A 101 -2.043 20.427 -9.931 1.00 13.24 H new ATOM 1687 N ARG A 102 -1.359 17.604 -12.826 1.00 43.21 N ATOM 1688 CA ARG A 102 -1.342 17.696 -14.281 1.00 62.31 C ATOM 1689 C ARG A 102 -2.732 18.017 -14.822 1.00 1.42 C ATOM 1690 O ARG A 102 -3.748 17.800 -14.161 1.00 4.13 O ATOM 1691 CB ARG A 102 -0.836 16.386 -14.890 1.00 15.42 C ATOM 1692 CG ARG A 102 0.679 16.269 -14.910 1.00 32.34 C ATOM 1693 CD ARG A 102 1.286 17.084 -16.041 1.00 21.15 C ATOM 1694 NE ARG A 102 2.723 16.857 -16.168 1.00 42.12 N ATOM 1695 CZ ARG A 102 3.249 15.796 -16.769 1.00 61.35 C ATOM 1696 NH1 ARG A 102 2.460 14.869 -17.296 1.00 3.13 N ATOM 1697 NH2 ARG A 102 4.567 15.660 -16.846 1.00 11.03 N ATOM 0 H ARG A 102 -1.273 16.655 -12.462 1.00 43.21 H new ATOM 0 HA ARG A 102 -0.666 18.504 -14.561 1.00 62.31 H new ATOM 0 HB2 ARG A 102 -1.249 15.550 -14.326 1.00 15.42 H new ATOM 0 HB3 ARG A 102 -1.212 16.300 -15.909 1.00 15.42 H new ATOM 0 HG2 ARG A 102 1.084 16.609 -13.957 1.00 32.34 H new ATOM 0 HG3 ARG A 102 0.963 15.222 -15.021 1.00 32.34 H new ATOM 0 HD2 ARG A 102 0.794 16.826 -16.979 1.00 21.15 H new ATOM 0 HD3 ARG A 102 1.100 18.144 -15.865 1.00 21.15 H new ATOM 0 HE ARG A 102 3.357 17.551 -15.773 1.00 42.12 H new ATOM 0 HH11 ARG A 102 1.447 14.970 -17.240 1.00 3.13 H new ATOM 0 HH12 ARG A 102 2.867 14.055 -17.757 1.00 3.13 H new ATOM 0 HH21 ARG A 102 5.177 16.371 -16.443 1.00 11.03 H new ATOM 0 HH22 ARG A 102 4.969 14.844 -17.308 1.00 11.03 H new ATOM 1711 N PRO A 103 -2.780 18.548 -16.053 1.00 11.34 N ATOM 1712 CA PRO A 103 -4.039 18.911 -16.709 1.00 54.34 C ATOM 1713 C PRO A 103 -4.864 17.689 -17.098 1.00 61.10 C ATOM 1714 O PRO A 103 -4.320 16.609 -17.331 1.00 12.25 O ATOM 1715 CB PRO A 103 -3.582 19.668 -17.959 1.00 74.53 C ATOM 1716 CG PRO A 103 -2.215 19.146 -18.239 1.00 0.45 C ATOM 1717 CD PRO A 103 -1.609 18.835 -16.898 1.00 60.41 C ATOM 0 HA PRO A 103 -4.687 19.494 -16.054 1.00 54.34 H new ATOM 0 HB2 PRO A 103 -4.254 19.489 -18.798 1.00 74.53 H new ATOM 0 HB3 PRO A 103 -3.567 20.744 -17.787 1.00 74.53 H new ATOM 0 HG2 PRO A 103 -2.258 18.254 -18.864 1.00 0.45 H new ATOM 0 HG3 PRO A 103 -1.618 19.883 -18.776 1.00 0.45 H new ATOM 0 HD2 PRO A 103 -0.933 17.982 -16.951 1.00 60.41 H new ATOM 0 HD3 PRO A 103 -1.032 19.676 -16.513 1.00 60.41 H new ATOM 1725 N VAL A 104 -6.180 17.866 -17.167 1.00 64.32 N ATOM 1726 CA VAL A 104 -7.079 16.777 -17.529 1.00 53.14 C ATOM 1727 C VAL A 104 -7.248 16.684 -19.042 1.00 21.33 C ATOM 1728 O VAL A 104 -7.412 17.696 -19.723 1.00 62.23 O ATOM 1729 CB VAL A 104 -8.464 16.954 -16.879 1.00 74.24 C ATOM 1730 CG1 VAL A 104 -9.189 18.148 -17.482 1.00 60.43 C ATOM 1731 CG2 VAL A 104 -9.290 15.685 -17.033 1.00 11.43 C ATOM 0 H VAL A 104 -6.647 18.753 -16.977 1.00 64.32 H new ATOM 0 HA VAL A 104 -6.627 15.857 -17.159 1.00 53.14 H new ATOM 0 HB VAL A 104 -8.325 17.144 -15.815 1.00 74.24 H new ATOM 0 HG11 VAL A 104 -10.166 18.257 -17.010 1.00 60.43 H new ATOM 0 HG12 VAL A 104 -8.603 19.052 -17.316 1.00 60.43 H new ATOM 0 HG13 VAL A 104 -9.319 17.992 -18.553 1.00 60.43 H new ATOM 0 HG21 VAL A 104 -10.266 15.827 -16.568 1.00 11.43 H new ATOM 0 HG22 VAL A 104 -9.422 15.463 -18.092 1.00 11.43 H new ATOM 0 HG23 VAL A 104 -8.775 14.855 -16.549 1.00 11.43 H new ATOM 1741 N LYS A 105 -7.207 15.462 -19.562 1.00 31.44 N ATOM 1742 CA LYS A 105 -7.357 15.233 -20.994 1.00 11.51 C ATOM 1743 C LYS A 105 -8.821 15.005 -21.358 1.00 43.52 C ATOM 1744 O LYS A 105 -9.566 14.379 -20.606 1.00 11.54 O ATOM 1745 CB LYS A 105 -6.518 14.030 -21.430 1.00 75.01 C ATOM 1746 CG LYS A 105 -5.029 14.320 -21.502 1.00 13.24 C ATOM 1747 CD LYS A 105 -4.655 14.998 -22.809 1.00 73.43 C ATOM 1748 CE LYS A 105 -3.199 15.436 -22.813 1.00 62.24 C ATOM 1749 NZ LYS A 105 -2.781 15.962 -24.143 1.00 35.53 N ATOM 0 H LYS A 105 -7.071 14.614 -19.012 1.00 31.44 H new ATOM 0 HA LYS A 105 -7.005 16.122 -21.518 1.00 11.51 H new ATOM 0 HB2 LYS A 105 -6.686 13.209 -20.733 1.00 75.01 H new ATOM 0 HB3 LYS A 105 -6.862 13.694 -22.408 1.00 75.01 H new ATOM 0 HG2 LYS A 105 -4.741 14.957 -20.665 1.00 13.24 H new ATOM 0 HG3 LYS A 105 -4.471 13.389 -21.401 1.00 13.24 H new ATOM 0 HD2 LYS A 105 -4.832 14.314 -23.639 1.00 73.43 H new ATOM 0 HD3 LYS A 105 -5.297 15.864 -22.967 1.00 73.43 H new ATOM 0 HE2 LYS A 105 -3.049 16.205 -22.055 1.00 62.24 H new ATOM 0 HE3 LYS A 105 -2.565 14.592 -22.541 1.00 62.24 H new ATOM 0 HZ1 LYS A 105 -1.782 16.250 -24.104 1.00 35.53 H new ATOM 0 HZ2 LYS A 105 -2.900 15.221 -24.863 1.00 35.53 H new ATOM 0 HZ3 LYS A 105 -3.369 16.783 -24.392 1.00 35.53 H new ATOM 1763 N GLU A 106 -9.224 15.516 -22.517 1.00 41.43 N ATOM 1764 CA GLU A 106 -10.599 15.367 -22.980 1.00 64.13 C ATOM 1765 C GLU A 106 -10.845 13.956 -23.508 1.00 45.31 C ATOM 1766 O GLU A 106 -10.009 13.391 -24.213 1.00 62.33 O ATOM 1767 CB GLU A 106 -10.907 16.393 -24.073 1.00 23.03 C ATOM 1768 CG GLU A 106 -10.966 17.824 -23.565 1.00 25.23 C ATOM 1769 CD GLU A 106 -12.288 18.153 -22.899 1.00 62.34 C ATOM 1770 OE1 GLU A 106 -13.152 17.255 -22.821 1.00 15.43 O ATOM 1771 OE2 GLU A 106 -12.457 19.308 -22.457 1.00 53.40 O ATOM 0 H GLU A 106 -8.619 16.036 -23.152 1.00 41.43 H new ATOM 0 HA GLU A 106 -11.262 15.540 -22.132 1.00 64.13 H new ATOM 0 HB2 GLU A 106 -10.146 16.323 -24.850 1.00 23.03 H new ATOM 0 HB3 GLU A 106 -11.861 16.142 -24.537 1.00 23.03 H new ATOM 0 HG2 GLU A 106 -10.155 17.987 -22.855 1.00 25.23 H new ATOM 0 HG3 GLU A 106 -10.803 18.508 -24.398 1.00 25.23 H new ATOM 1778 N VAL A 107 -11.998 13.394 -23.161 1.00 24.52 N ATOM 1779 CA VAL A 107 -12.355 12.050 -23.599 1.00 71.32 C ATOM 1780 C VAL A 107 -13.490 12.087 -24.617 1.00 5.31 C ATOM 1781 O VAL A 107 -14.425 12.878 -24.491 1.00 41.33 O ATOM 1782 CB VAL A 107 -12.775 11.165 -22.411 1.00 35.14 C ATOM 1783 CG1 VAL A 107 -13.693 10.045 -22.877 1.00 24.51 C ATOM 1784 CG2 VAL A 107 -11.550 10.603 -21.705 1.00 52.34 C ATOM 0 H VAL A 107 -12.701 13.848 -22.578 1.00 24.52 H new ATOM 0 HA VAL A 107 -11.467 11.623 -24.064 1.00 71.32 H new ATOM 0 HB VAL A 107 -13.325 11.781 -21.699 1.00 35.14 H new ATOM 0 HG11 VAL A 107 -13.979 9.430 -22.024 1.00 24.51 H new ATOM 0 HG12 VAL A 107 -14.586 10.472 -23.332 1.00 24.51 H new ATOM 0 HG13 VAL A 107 -13.172 9.429 -23.610 1.00 24.51 H new ATOM 0 HG21 VAL A 107 -11.866 9.980 -20.868 1.00 52.34 H new ATOM 0 HG22 VAL A 107 -10.970 10.002 -22.406 1.00 52.34 H new ATOM 0 HG23 VAL A 107 -10.935 11.423 -21.335 1.00 52.34 H new ATOM 1794 N HIS A 108 -13.401 11.226 -25.626 1.00 0.23 N ATOM 1795 CA HIS A 108 -14.421 11.160 -26.666 1.00 32.30 C ATOM 1796 C HIS A 108 -14.971 9.743 -26.798 1.00 34.24 C ATOM 1797 O HIS A 108 -14.505 8.822 -26.128 1.00 31.21 O ATOM 1798 CB HIS A 108 -13.846 11.622 -28.005 1.00 5.22 C ATOM 1799 CG HIS A 108 -12.593 10.902 -28.399 1.00 73.53 C ATOM 1800 ND1 HIS A 108 -11.453 11.551 -28.822 1.00 25.13 N ATOM 1801 CD2 HIS A 108 -12.306 9.579 -28.432 1.00 43.31 C ATOM 1802 CE1 HIS A 108 -10.518 10.659 -29.099 1.00 51.20 C ATOM 1803 NE2 HIS A 108 -11.010 9.455 -28.870 1.00 73.04 N ATOM 0 H HIS A 108 -12.633 10.565 -25.745 1.00 0.23 H new ATOM 0 HA HIS A 108 -15.238 11.824 -26.381 1.00 32.30 H new ATOM 0 HB2 HIS A 108 -14.597 11.479 -28.782 1.00 5.22 H new ATOM 0 HB3 HIS A 108 -13.640 12.691 -27.953 1.00 5.22 H new ATOM 0 HD2 HIS A 108 -12.972 8.772 -28.164 1.00 43.31 H new ATOM 0 HE1 HIS A 108 -9.521 10.877 -29.452 1.00 51.20 H new ATOM 0 HE2 HIS A 108 -10.509 8.576 -28.998 1.00 73.04 H new ATOM 1811 N GLU A 109 -15.966 9.577 -27.664 1.00 43.24 N ATOM 1812 CA GLU A 109 -16.580 8.272 -27.882 1.00 4.45 C ATOM 1813 C GLU A 109 -15.720 7.414 -28.805 1.00 31.32 C ATOM 1814 O GLU A 109 -15.431 7.800 -29.937 1.00 30.12 O ATOM 1815 CB GLU A 109 -17.980 8.436 -28.476 1.00 31.41 C ATOM 1816 CG GLU A 109 -19.062 8.660 -27.433 1.00 23.44 C ATOM 1817 CD GLU A 109 -20.357 7.948 -27.773 1.00 1.20 C ATOM 1818 OE1 GLU A 109 -20.441 6.724 -27.540 1.00 51.33 O ATOM 1819 OE2 GLU A 109 -21.287 8.616 -28.272 1.00 45.42 O ATOM 0 H GLU A 109 -16.364 10.330 -28.226 1.00 43.24 H new ATOM 0 HA GLU A 109 -16.659 7.770 -26.918 1.00 4.45 H new ATOM 0 HB2 GLU A 109 -17.975 9.278 -29.169 1.00 31.41 H new ATOM 0 HB3 GLU A 109 -18.225 7.547 -29.057 1.00 31.41 H new ATOM 0 HG2 GLU A 109 -18.704 8.312 -26.464 1.00 23.44 H new ATOM 0 HG3 GLU A 109 -19.254 9.729 -27.338 1.00 23.44 H new ATOM 1826 N GLU A 110 -15.315 6.247 -28.312 1.00 12.43 N ATOM 1827 CA GLU A 110 -14.488 5.335 -29.092 1.00 22.21 C ATOM 1828 C GLU A 110 -14.085 4.120 -28.261 1.00 33.12 C ATOM 1829 O GLU A 110 -14.635 3.880 -27.185 1.00 43.33 O ATOM 1830 CB GLU A 110 -13.237 6.054 -29.602 1.00 55.31 C ATOM 1831 CG GLU A 110 -13.002 5.882 -31.093 1.00 62.22 C ATOM 1832 CD GLU A 110 -14.212 6.264 -31.923 1.00 41.32 C ATOM 1833 OE1 GLU A 110 -14.323 7.451 -32.297 1.00 61.22 O ATOM 1834 OE2 GLU A 110 -15.047 5.378 -32.198 1.00 54.34 O ATOM 0 H GLU A 110 -15.546 5.912 -27.377 1.00 12.43 H new ATOM 0 HA GLU A 110 -15.075 4.993 -29.944 1.00 22.21 H new ATOM 0 HB2 GLU A 110 -13.322 7.117 -29.376 1.00 55.31 H new ATOM 0 HB3 GLU A 110 -12.368 5.681 -29.060 1.00 55.31 H new ATOM 0 HG2 GLU A 110 -12.151 6.493 -31.396 1.00 62.22 H new ATOM 0 HG3 GLU A 110 -12.739 4.844 -31.298 1.00 62.22 H new ATOM 1841 N TYR A 111 -13.124 3.357 -28.767 1.00 65.55 N ATOM 1842 CA TYR A 111 -12.649 2.165 -28.075 1.00 21.35 C ATOM 1843 C TYR A 111 -11.156 2.266 -27.777 1.00 60.30 C ATOM 1844 O TYR A 111 -10.320 1.955 -28.626 1.00 0.12 O ATOM 1845 CB TYR A 111 -12.930 0.916 -28.912 1.00 40.13 C ATOM 1846 CG TYR A 111 -14.400 0.681 -29.174 1.00 35.11 C ATOM 1847 CD1 TYR A 111 -15.199 0.040 -28.235 1.00 13.13 C ATOM 1848 CD2 TYR A 111 -14.991 1.098 -30.360 1.00 41.33 C ATOM 1849 CE1 TYR A 111 -16.543 -0.178 -28.469 1.00 52.35 C ATOM 1850 CE2 TYR A 111 -16.334 0.886 -30.603 1.00 11.10 C ATOM 1851 CZ TYR A 111 -17.106 0.248 -29.655 1.00 20.52 C ATOM 1852 OH TYR A 111 -18.444 0.033 -29.893 1.00 71.04 O ATOM 0 H TYR A 111 -12.658 3.543 -29.655 1.00 65.55 H new ATOM 0 HA TYR A 111 -13.186 2.088 -27.129 1.00 21.35 H new ATOM 0 HB2 TYR A 111 -12.409 1.003 -29.865 1.00 40.13 H new ATOM 0 HB3 TYR A 111 -12.517 0.046 -28.401 1.00 40.13 H new ATOM 0 HD1 TYR A 111 -14.762 -0.294 -27.306 1.00 13.13 H new ATOM 0 HD2 TYR A 111 -14.390 1.597 -31.105 1.00 41.33 H new ATOM 0 HE1 TYR A 111 -17.149 -0.679 -27.729 1.00 52.35 H new ATOM 0 HE2 TYR A 111 -16.777 1.218 -31.530 1.00 11.10 H new ATOM 0 HH TYR A 111 -18.682 0.394 -30.772 1.00 71.04 H new ATOM 1862 N ASP A 112 -10.829 2.702 -26.566 1.00 32.25 N ATOM 1863 CA ASP A 112 -9.438 2.843 -26.153 1.00 65.22 C ATOM 1864 C ASP A 112 -9.275 2.524 -24.670 1.00 52.42 C ATOM 1865 O ASP A 112 -8.546 1.604 -24.298 1.00 2.20 O ATOM 1866 CB ASP A 112 -8.939 4.260 -26.441 1.00 32.11 C ATOM 1867 CG ASP A 112 -7.966 4.307 -27.602 1.00 24.30 C ATOM 1868 OD1 ASP A 112 -7.073 3.435 -27.664 1.00 11.01 O ATOM 1869 OD2 ASP A 112 -8.097 5.214 -28.449 1.00 44.43 O ATOM 0 H ASP A 112 -11.509 2.964 -25.852 1.00 32.25 H new ATOM 0 HA ASP A 112 -8.842 2.133 -26.726 1.00 65.22 H new ATOM 0 HB2 ASP A 112 -9.791 4.905 -26.658 1.00 32.11 H new ATOM 0 HB3 ASP A 112 -8.456 4.660 -25.550 1.00 32.11 H new ATOM 1874 N LEU A 113 -9.958 3.291 -23.828 1.00 14.24 N ATOM 1875 CA LEU A 113 -9.890 3.092 -22.384 1.00 65.11 C ATOM 1876 C LEU A 113 -10.291 1.668 -22.011 1.00 44.22 C ATOM 1877 O LEU A 113 -10.571 0.844 -22.881 1.00 61.15 O ATOM 1878 CB LEU A 113 -10.796 4.094 -21.667 1.00 74.32 C ATOM 1879 CG LEU A 113 -10.244 5.512 -21.519 1.00 35.01 C ATOM 1880 CD1 LEU A 113 -9.874 6.086 -22.878 1.00 34.41 C ATOM 1881 CD2 LEU A 113 -11.256 6.407 -20.818 1.00 3.15 C ATOM 0 H LEU A 113 -10.565 4.057 -24.120 1.00 14.24 H new ATOM 0 HA LEU A 113 -8.859 3.254 -22.068 1.00 65.11 H new ATOM 0 HB2 LEU A 113 -11.742 4.148 -22.206 1.00 74.32 H new ATOM 0 HB3 LEU A 113 -11.017 3.706 -20.673 1.00 74.32 H new ATOM 0 HG LEU A 113 -9.342 5.468 -20.909 1.00 35.01 H new ATOM 0 HD11 LEU A 113 -9.483 7.096 -22.752 1.00 34.41 H new ATOM 0 HD12 LEU A 113 -9.114 5.458 -23.344 1.00 34.41 H new ATOM 0 HD13 LEU A 113 -10.759 6.116 -23.513 1.00 34.41 H new ATOM 0 HD21 LEU A 113 -10.847 7.413 -20.721 1.00 3.15 H new ATOM 0 HD22 LEU A 113 -12.175 6.444 -21.403 1.00 3.15 H new ATOM 0 HD23 LEU A 113 -11.472 6.006 -19.828 1.00 3.15 H new ATOM 1893 N TRP A 114 -10.318 1.388 -20.713 1.00 65.35 N ATOM 1894 CA TRP A 114 -10.687 0.064 -20.225 1.00 62.24 C ATOM 1895 C TRP A 114 -12.120 -0.280 -20.615 1.00 53.22 C ATOM 1896 O TRP A 114 -12.410 -1.406 -21.018 1.00 2.13 O ATOM 1897 CB TRP A 114 -10.528 -0.005 -18.706 1.00 11.33 C ATOM 1898 CG TRP A 114 -9.113 -0.232 -18.266 1.00 14.12 C ATOM 1899 CD1 TRP A 114 -8.406 0.512 -17.365 1.00 62.30 C ATOM 1900 CD2 TRP A 114 -8.235 -1.272 -18.709 1.00 42.21 C ATOM 1901 NE1 TRP A 114 -7.140 -0.003 -17.222 1.00 20.44 N ATOM 1902 CE2 TRP A 114 -7.010 -1.098 -18.035 1.00 33.14 C ATOM 1903 CE3 TRP A 114 -8.364 -2.334 -19.608 1.00 44.32 C ATOM 1904 CZ2 TRP A 114 -5.924 -1.946 -18.234 1.00 34.53 C ATOM 1905 CZ3 TRP A 114 -7.285 -3.175 -19.805 1.00 2.41 C ATOM 1906 CH2 TRP A 114 -6.078 -2.978 -19.120 1.00 14.22 C ATOM 0 H TRP A 114 -10.089 2.059 -19.980 1.00 65.35 H new ATOM 0 HA TRP A 114 -10.020 -0.665 -20.686 1.00 62.24 H new ATOM 0 HB2 TRP A 114 -10.893 0.924 -18.267 1.00 11.33 H new ATOM 0 HB3 TRP A 114 -11.155 -0.808 -18.318 1.00 11.33 H new ATOM 0 HD1 TRP A 114 -8.786 1.377 -16.842 1.00 62.30 H new ATOM 0 HE1 TRP A 114 -6.414 0.370 -16.610 1.00 20.44 H new ATOM 0 HE3 TRP A 114 -9.290 -2.495 -20.139 1.00 44.32 H new ATOM 0 HZ2 TRP A 114 -4.993 -1.795 -17.708 1.00 34.53 H new ATOM 0 HZ3 TRP A 114 -7.373 -3.998 -20.499 1.00 2.41 H new ATOM 0 HH2 TRP A 114 -5.254 -3.654 -19.295 1.00 14.22 H new ATOM 1917 N GLU A 115 -13.013 0.698 -20.493 1.00 62.21 N ATOM 1918 CA GLU A 115 -14.417 0.496 -20.833 1.00 5.42 C ATOM 1919 C GLU A 115 -14.961 -0.766 -20.171 1.00 63.30 C ATOM 1920 O GLU A 115 -15.223 -1.766 -20.839 1.00 75.33 O ATOM 1921 CB GLU A 115 -14.589 0.405 -22.350 1.00 61.15 C ATOM 1922 CG GLU A 115 -14.572 1.755 -23.048 1.00 22.15 C ATOM 1923 CD GLU A 115 -14.867 1.649 -24.531 1.00 55.20 C ATOM 1924 OE1 GLU A 115 -14.330 0.726 -25.178 1.00 74.30 O ATOM 1925 OE2 GLU A 115 -15.635 2.489 -25.045 1.00 11.31 O ATOM 0 H GLU A 115 -12.789 1.636 -20.162 1.00 62.21 H new ATOM 0 HA GLU A 115 -14.981 1.352 -20.462 1.00 5.42 H new ATOM 0 HB2 GLU A 115 -13.793 -0.217 -22.761 1.00 61.15 H new ATOM 0 HB3 GLU A 115 -15.531 -0.097 -22.571 1.00 61.15 H new ATOM 0 HG2 GLU A 115 -15.307 2.410 -22.581 1.00 22.15 H new ATOM 0 HG3 GLU A 115 -13.596 2.220 -22.908 1.00 22.15 H new ATOM 1932 N ASP A 116 -15.127 -0.712 -18.854 1.00 64.31 N ATOM 1933 CA ASP A 116 -15.640 -1.851 -18.101 1.00 3.42 C ATOM 1934 C ASP A 116 -15.740 -1.518 -16.615 1.00 75.23 C ATOM 1935 O ASP A 116 -16.819 -1.536 -16.022 1.00 30.22 O ATOM 1936 CB ASP A 116 -14.740 -3.071 -18.303 1.00 50.22 C ATOM 1937 CG ASP A 116 -15.375 -4.117 -19.198 1.00 54.52 C ATOM 1938 OD1 ASP A 116 -16.410 -4.689 -18.798 1.00 73.44 O ATOM 1939 OD2 ASP A 116 -14.837 -4.363 -20.298 1.00 53.32 O ATOM 0 H ASP A 116 -14.914 0.108 -18.286 1.00 64.31 H new ATOM 0 HA ASP A 116 -16.639 -2.081 -18.472 1.00 3.42 H new ATOM 0 HB2 ASP A 116 -13.793 -2.752 -18.737 1.00 50.22 H new ATOM 0 HB3 ASP A 116 -14.513 -3.516 -17.334 1.00 50.22 H new ATOM 1944 N PRO A 117 -14.590 -1.208 -15.999 1.00 34.34 N ATOM 1945 CA PRO A 117 -14.523 -0.867 -14.575 1.00 2.43 C ATOM 1946 C PRO A 117 -15.163 0.484 -14.272 1.00 30.35 C ATOM 1947 O PRO A 117 -16.032 0.589 -13.405 1.00 25.41 O ATOM 1948 CB PRO A 117 -13.019 -0.821 -14.292 1.00 31.01 C ATOM 1949 CG PRO A 117 -12.395 -0.512 -15.609 1.00 31.30 C ATOM 1950 CD PRO A 117 -13.267 -1.167 -16.644 1.00 75.11 C ATOM 0 HA PRO A 117 -15.065 -1.584 -13.958 1.00 2.43 H new ATOM 0 HB2 PRO A 117 -12.779 -0.058 -13.551 1.00 31.01 H new ATOM 0 HB3 PRO A 117 -12.661 -1.772 -13.898 1.00 31.01 H new ATOM 0 HG2 PRO A 117 -12.338 0.564 -15.771 1.00 31.30 H new ATOM 0 HG3 PRO A 117 -11.376 -0.896 -15.658 1.00 31.30 H new ATOM 0 HD2 PRO A 117 -13.290 -0.594 -17.571 1.00 75.11 H new ATOM 0 HD3 PRO A 117 -12.911 -2.166 -16.895 1.00 75.11 H new ATOM 1958 N ILE A 118 -14.729 1.514 -14.990 1.00 73.43 N ATOM 1959 CA ILE A 118 -15.262 2.857 -14.798 1.00 70.34 C ATOM 1960 C ILE A 118 -16.603 3.023 -15.506 1.00 22.54 C ATOM 1961 O ILE A 118 -17.338 3.975 -15.248 1.00 13.34 O ATOM 1962 CB ILE A 118 -14.285 3.929 -15.316 1.00 53.01 C ATOM 1963 CG1 ILE A 118 -14.414 4.077 -16.834 1.00 2.24 C ATOM 1964 CG2 ILE A 118 -12.857 3.574 -14.932 1.00 64.32 C ATOM 1965 CD1 ILE A 118 -13.984 2.846 -17.599 1.00 60.45 C ATOM 0 H ILE A 118 -14.010 1.444 -15.710 1.00 73.43 H new ATOM 0 HA ILE A 118 -15.401 2.991 -13.725 1.00 70.34 H new ATOM 0 HB ILE A 118 -14.538 4.883 -14.854 1.00 53.01 H new ATOM 0 HG12 ILE A 118 -15.451 4.305 -17.082 1.00 2.24 H new ATOM 0 HG13 ILE A 118 -13.814 4.926 -17.161 1.00 2.24 H new ATOM 0 HG21 ILE A 118 -12.178 4.341 -15.305 1.00 64.32 H new ATOM 0 HG22 ILE A 118 -12.776 3.515 -13.847 1.00 64.32 H new ATOM 0 HG23 ILE A 118 -12.591 2.611 -15.369 1.00 64.32 H new ATOM 0 HD11 ILE A 118 -14.102 3.022 -18.668 1.00 60.45 H new ATOM 0 HD12 ILE A 118 -12.938 2.629 -17.380 1.00 60.45 H new ATOM 0 HD13 ILE A 118 -14.601 1.998 -17.301 1.00 60.45 H new ATOM 1977 N TRP A 119 -16.915 2.088 -16.397 1.00 4.53 N ATOM 1978 CA TRP A 119 -18.169 2.130 -17.140 1.00 43.13 C ATOM 1979 C TRP A 119 -19.364 2.118 -16.193 1.00 64.35 C ATOM 1980 O TRP A 119 -20.334 2.847 -16.396 1.00 41.11 O ATOM 1981 CB TRP A 119 -18.254 0.945 -18.104 1.00 5.31 C ATOM 1982 CG TRP A 119 -19.231 1.157 -19.221 1.00 23.45 C ATOM 1983 CD1 TRP A 119 -19.383 2.286 -19.974 1.00 31.44 C ATOM 1984 CD2 TRP A 119 -20.192 0.214 -19.708 1.00 1.00 C ATOM 1985 NE1 TRP A 119 -20.381 2.102 -20.900 1.00 32.31 N ATOM 1986 CE2 TRP A 119 -20.893 0.839 -20.758 1.00 65.12 C ATOM 1987 CE3 TRP A 119 -20.527 -1.097 -19.361 1.00 74.42 C ATOM 1988 CZ2 TRP A 119 -21.908 0.196 -21.461 1.00 41.02 C ATOM 1989 CZ3 TRP A 119 -21.536 -1.734 -20.060 1.00 4.13 C ATOM 1990 CH2 TRP A 119 -22.216 -1.088 -21.100 1.00 42.44 C ATOM 0 H TRP A 119 -16.317 1.293 -16.622 1.00 4.53 H new ATOM 0 HA TRP A 119 -18.193 3.057 -17.712 1.00 43.13 H new ATOM 0 HB2 TRP A 119 -17.266 0.757 -18.525 1.00 5.31 H new ATOM 0 HB3 TRP A 119 -18.538 0.052 -17.547 1.00 5.31 H new ATOM 0 HD1 TRP A 119 -18.804 3.190 -19.859 1.00 31.44 H new ATOM 0 HE1 TRP A 119 -20.691 2.794 -21.583 1.00 32.31 H new ATOM 0 HE3 TRP A 119 -20.007 -1.604 -18.561 1.00 74.42 H new ATOM 0 HZ2 TRP A 119 -22.434 0.693 -22.263 1.00 41.02 H new ATOM 0 HZ3 TRP A 119 -21.804 -2.747 -19.799 1.00 4.13 H new ATOM 0 HH2 TRP A 119 -22.999 -1.613 -21.627 1.00 42.44 H new ATOM 2001 N GLN A 120 -19.286 1.286 -15.160 1.00 61.51 N ATOM 2002 CA GLN A 120 -20.363 1.179 -14.183 1.00 3.33 C ATOM 2003 C GLN A 120 -19.834 1.381 -12.766 1.00 72.53 C ATOM 2004 O GLN A 120 -20.170 2.360 -12.101 1.00 14.41 O ATOM 2005 CB GLN A 120 -21.049 -0.183 -14.295 1.00 32.01 C ATOM 2006 CG GLN A 120 -22.360 -0.269 -13.530 1.00 10.42 C ATOM 2007 CD GLN A 120 -23.061 -1.599 -13.719 1.00 63.55 C ATOM 2008 OE1 GLN A 120 -23.417 -2.270 -12.750 1.00 73.13 O ATOM 2009 NE2 GLN A 120 -23.262 -1.989 -14.973 1.00 32.43 N ATOM 0 H GLN A 120 -18.489 0.676 -14.978 1.00 61.51 H new ATOM 0 HA GLN A 120 -21.091 1.962 -14.395 1.00 3.33 H new ATOM 0 HB2 GLN A 120 -21.237 -0.401 -15.346 1.00 32.01 H new ATOM 0 HB3 GLN A 120 -20.372 -0.953 -13.926 1.00 32.01 H new ATOM 0 HG2 GLN A 120 -22.168 -0.112 -12.469 1.00 10.42 H new ATOM 0 HG3 GLN A 120 -23.020 0.535 -13.857 1.00 10.42 H new ATOM 0 HE21 GLN A 120 -22.950 -1.401 -15.746 1.00 32.43 H new ATOM 0 HE22 GLN A 120 -23.728 -2.876 -15.163 1.00 32.43 H new ATOM 2018 N TYR A 121 -19.006 0.447 -12.311 1.00 41.14 N ATOM 2019 CA TYR A 121 -18.433 0.521 -10.973 1.00 21.54 C ATOM 2020 C TYR A 121 -17.405 1.644 -10.881 1.00 12.33 C ATOM 2021 O TYR A 121 -17.152 2.350 -11.857 1.00 53.43 O ATOM 2022 CB TYR A 121 -17.782 -0.813 -10.600 1.00 10.41 C ATOM 2023 CG TYR A 121 -18.770 -1.861 -10.141 1.00 61.54 C ATOM 2024 CD1 TYR A 121 -19.463 -2.640 -11.060 1.00 15.31 C ATOM 2025 CD2 TYR A 121 -19.009 -2.075 -8.789 1.00 42.13 C ATOM 2026 CE1 TYR A 121 -20.367 -3.598 -10.645 1.00 74.53 C ATOM 2027 CE2 TYR A 121 -19.910 -3.033 -8.366 1.00 1.54 C ATOM 2028 CZ TYR A 121 -20.587 -3.791 -9.297 1.00 60.33 C ATOM 2029 OH TYR A 121 -21.486 -4.746 -8.880 1.00 64.43 O ATOM 0 H TYR A 121 -18.717 -0.370 -12.849 1.00 41.14 H new ATOM 0 HA TYR A 121 -19.240 0.734 -10.272 1.00 21.54 H new ATOM 0 HB2 TYR A 121 -17.235 -1.194 -11.462 1.00 10.41 H new ATOM 0 HB3 TYR A 121 -17.052 -0.643 -9.809 1.00 10.41 H new ATOM 0 HD1 TYR A 121 -19.292 -2.494 -12.116 1.00 15.31 H new ATOM 0 HD2 TYR A 121 -18.481 -1.482 -8.056 1.00 42.13 H new ATOM 0 HE1 TYR A 121 -20.899 -4.193 -11.372 1.00 74.53 H new ATOM 0 HE2 TYR A 121 -20.083 -3.187 -7.311 1.00 1.54 H new ATOM 0 HH TYR A 121 -21.523 -4.755 -7.901 1.00 64.43 H new ATOM 2039 N ILE A 122 -16.816 1.803 -9.700 1.00 41.14 N ATOM 2040 CA ILE A 122 -15.815 2.839 -9.480 1.00 45.13 C ATOM 2041 C ILE A 122 -14.674 2.724 -10.486 1.00 30.30 C ATOM 2042 O ILE A 122 -13.531 2.454 -10.117 1.00 11.05 O ATOM 2043 CB ILE A 122 -15.236 2.769 -8.055 1.00 1.13 C ATOM 2044 CG1 ILE A 122 -14.827 1.334 -7.717 1.00 21.12 C ATOM 2045 CG2 ILE A 122 -16.249 3.288 -7.046 1.00 13.32 C ATOM 2046 CD1 ILE A 122 -13.972 1.226 -6.473 1.00 54.13 C ATOM 0 H ILE A 122 -17.015 1.228 -8.882 1.00 41.14 H new ATOM 0 HA ILE A 122 -16.318 3.797 -9.612 1.00 45.13 H new ATOM 0 HB ILE A 122 -14.349 3.400 -8.008 1.00 1.13 H new ATOM 0 HG12 ILE A 122 -15.725 0.731 -7.584 1.00 21.12 H new ATOM 0 HG13 ILE A 122 -14.281 0.912 -8.561 1.00 21.12 H new ATOM 0 HG21 ILE A 122 -15.825 3.232 -6.043 1.00 13.32 H new ATOM 0 HG22 ILE A 122 -16.496 4.324 -7.278 1.00 13.32 H new ATOM 0 HG23 ILE A 122 -17.153 2.680 -7.092 1.00 13.32 H new ATOM 0 HD11 ILE A 122 -13.720 0.181 -6.294 1.00 54.13 H new ATOM 0 HD12 ILE A 122 -13.057 1.802 -6.609 1.00 54.13 H new ATOM 0 HD13 ILE A 122 -14.523 1.618 -5.618 1.00 54.13 H new