USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 658 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 75 ASN : amide:sc= -2.31! C(o=-8.9!,f=-18!) USER MOD Set 1.2: A 77 THR OG1 : rot 109:sc= -6.63! USER MOD Set 2.1: A 43 CYS SG : rot 142:sc= -1.38 USER MOD Set 2.2: A 45 GLN : amide:sc= -2.9 K(o=-11,f=-14!) USER MOD Set 2.3: A 48 CYS SG : rot -151:sc= 0.126 USER MOD Set 2.4: A 64 HIS : no HE2:sc= -3.65! C(o=-11!,f=-12!) USER MOD Set 2.5: A 68 LYS NZ :NH3+ -177:sc= -0.0484 (180deg=-0.0745) USER MOD Set 2.6: A 70 HIS : no HE2:sc= -2.91! C(o=-11!,f=-12!) USER MOD Set 3.1: A 61 SER OG : rot -148:sc= 1.48 USER MOD Set 3.2: A 73 THR OG1 : rot 126:sc= 0.77 USER MOD Set 4.1: A 30 CYS SG : rot -154:sc= -0.537! USER MOD Set 4.2: A 33 CYS SG : rot -157:sc= 0.29 USER MOD Set 4.3: A 53 CYS SG : rot -117:sc= 1.58 USER MOD Set 4.4: A 60 HIS :FLIP no HD1:sc= -2.1 F(o=-3.1!,f=-0.77) USER MOD Set 5.1: A 31 GLN :FLIP amide:sc= -8.81! C(o=-12!,f=-9.2!) USER MOD Set 5.2: A 32 SER OG : rot 96:sc= -0.386 USER MOD Set 6.1: A 8 CYS SG : rot 152:sc= -3.99 USER MOD Set 6.2: A 10 HIS : no HD1:sc= -2.86! C(o=-20!,f=-25!) USER MOD Set 6.3: A 71 ASN :FLIP amide:sc= -2.27 F(o=-25!,f=-20) USER MOD Set 6.4: A 83 CYS SG : rot -157:sc= -4.8 USER MOD Set 6.5: A 86 CYS SG : rot 133:sc= -6.4! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.397 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.308 (180deg=-0.392) USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= 1.25 (180deg=0.973) USER MOD Single : A 26 SER OG : rot -49:sc= -1.27 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0674 USER MOD Single : A 36 THR OG1 : rot 84:sc= -1.09! USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= -2.03 USER MOD Single : A 62 THR OG1 : rot -55:sc= -0.135! USER MOD Single : A 66 GLN : amide:sc= -0.229 K(o=-0.23,f=-2.7!) USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 1.25 (180deg=-0.789) USER MOD Single : A 78 THR OG1 : rot 130:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.0256 F(o=-0.82,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.818 5.147 6.085 1.00 0.00 N ATOM 73 CA ASP A 6 11.410 5.070 5.592 1.00 0.00 C ATOM 74 C ASP A 6 11.260 3.904 4.604 1.00 0.00 C ATOM 75 O ASP A 6 10.192 3.346 4.447 1.00 0.00 O ATOM 76 CB ASP A 6 11.064 6.387 4.887 1.00 0.00 C ATOM 77 CG ASP A 6 9.648 6.828 5.270 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.399 8.022 5.261 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.841 5.965 5.569 1.00 0.00 O ATOM 0 HA ASP A 6 10.736 4.906 6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.782 7.158 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.135 6.261 3.807 1.00 0.00 H new ATOM 84 N LEU A 7 12.316 3.544 3.931 1.00 0.00 N ATOM 85 CA LEU A 7 12.228 2.427 2.948 1.00 0.00 C ATOM 86 C LEU A 7 12.111 1.086 3.688 1.00 0.00 C ATOM 87 O LEU A 7 12.509 0.956 4.828 1.00 0.00 O ATOM 88 CB LEU A 7 13.470 2.470 2.022 1.00 0.00 C ATOM 89 CG LEU A 7 14.560 1.447 2.422 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.890 1.542 3.922 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.116 0.016 2.063 1.00 0.00 C ATOM 0 H LEU A 7 13.237 3.974 4.018 1.00 0.00 H new ATOM 0 HA LEU A 7 11.337 2.536 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.158 2.277 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.896 3.473 2.042 1.00 0.00 H new ATOM 0 HG LEU A 7 15.463 1.686 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.659 0.811 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.253 2.544 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.992 1.339 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.895 -0.690 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.195 -0.223 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.944 -0.053 0.989 1.00 0.00 H new ATOM 103 N CYS A 8 11.556 0.090 3.042 1.00 0.00 N ATOM 104 CA CYS A 8 11.404 -1.251 3.690 1.00 0.00 C ATOM 105 C CYS A 8 12.051 -2.308 2.787 1.00 0.00 C ATOM 106 O CYS A 8 12.239 -2.094 1.607 1.00 0.00 O ATOM 107 CB CYS A 8 9.906 -1.570 3.903 1.00 0.00 C ATOM 108 SG CYS A 8 9.461 -3.120 3.056 1.00 0.00 S ATOM 0 H CYS A 8 11.200 0.148 2.088 1.00 0.00 H new ATOM 0 HA CYS A 8 11.894 -1.251 4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.694 -1.656 4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.295 -0.751 3.522 1.00 0.00 H new ATOM 0 HG CYS A 8 8.471 -3.687 3.680 1.00 0.00 H new ATOM 113 N PRO A 9 12.395 -3.439 3.338 1.00 0.00 N ATOM 114 CA PRO A 9 13.038 -4.554 2.576 1.00 0.00 C ATOM 115 C PRO A 9 12.204 -4.957 1.359 1.00 0.00 C ATOM 116 O PRO A 9 12.668 -4.952 0.235 1.00 0.00 O ATOM 117 CB PRO A 9 13.085 -5.707 3.596 1.00 0.00 C ATOM 118 CG PRO A 9 12.106 -5.319 4.652 1.00 0.00 C ATOM 119 CD PRO A 9 12.199 -3.804 4.741 1.00 0.00 C ATOM 0 HA PRO A 9 14.018 -4.277 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.813 -6.656 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.086 -5.829 4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.097 -5.637 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.350 -5.786 5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.294 -3.362 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.029 -3.480 5.369 1.00 0.00 H new ATOM 127 N HIS A 10 10.971 -5.304 1.589 1.00 0.00 N ATOM 128 CA HIS A 10 10.076 -5.712 0.465 1.00 0.00 C ATOM 129 C HIS A 10 9.613 -4.464 -0.288 1.00 0.00 C ATOM 130 O HIS A 10 8.866 -4.540 -1.241 1.00 0.00 O ATOM 131 CB HIS A 10 8.858 -6.469 1.022 1.00 0.00 C ATOM 132 CG HIS A 10 9.269 -7.251 2.238 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.289 -6.695 3.517 1.00 0.00 N ATOM 134 CD2 HIS A 10 9.683 -8.552 2.384 1.00 0.00 C ATOM 135 CE1 HIS A 10 9.704 -7.662 4.360 1.00 0.00 C ATOM 136 NE2 HIS A 10 9.954 -8.804 3.721 1.00 0.00 N ATOM 0 H HIS A 10 10.538 -5.324 2.513 1.00 0.00 H new ATOM 0 HA HIS A 10 10.619 -6.366 -0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.066 -5.766 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.455 -7.140 0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.782 -9.268 1.582 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.820 -7.527 5.425 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.277 -9.681 4.130 1.00 0.00 H new ATOM 144 N LEU A 11 10.056 -3.315 0.139 1.00 0.00 N ATOM 145 CA LEU A 11 9.650 -2.054 -0.540 1.00 0.00 C ATOM 146 C LEU A 11 10.355 -1.948 -1.892 1.00 0.00 C ATOM 147 O LEU A 11 9.851 -1.352 -2.823 1.00 0.00 O ATOM 148 CB LEU A 11 10.039 -0.868 0.349 1.00 0.00 C ATOM 149 CG LEU A 11 9.320 0.413 -0.111 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.875 1.226 1.110 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.269 1.258 -0.971 1.00 0.00 C ATOM 0 H LEU A 11 10.685 -3.195 0.933 1.00 0.00 H new ATOM 0 HA LEU A 11 8.573 -2.050 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.781 -1.084 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.118 -0.719 0.313 1.00 0.00 H new ATOM 0 HG LEU A 11 8.445 0.139 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.367 2.132 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.194 0.629 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.748 1.497 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.757 2.164 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.148 1.528 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.577 0.683 -1.844 1.00 0.00 H new ATOM 163 N ASP A 12 11.517 -2.526 -2.008 1.00 0.00 N ATOM 164 CA ASP A 12 12.254 -2.467 -3.300 1.00 0.00 C ATOM 165 C ASP A 12 11.776 -3.601 -4.209 1.00 0.00 C ATOM 166 O ASP A 12 11.952 -3.564 -5.411 1.00 0.00 O ATOM 167 CB ASP A 12 13.749 -2.634 -3.033 1.00 0.00 C ATOM 168 CG ASP A 12 14.506 -2.668 -4.362 1.00 0.00 C ATOM 169 OD1 ASP A 12 13.948 -2.223 -5.351 1.00 0.00 O ATOM 170 OD2 ASP A 12 15.631 -3.140 -4.368 1.00 0.00 O ATOM 0 H ASP A 12 11.989 -3.038 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 12 12.070 -1.508 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.113 -1.812 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.929 -3.554 -2.477 1.00 0.00 H new ATOM 175 N SER A 13 11.179 -4.612 -3.641 1.00 0.00 N ATOM 176 CA SER A 13 10.697 -5.756 -4.468 1.00 0.00 C ATOM 177 C SER A 13 9.362 -5.399 -5.129 1.00 0.00 C ATOM 178 O SER A 13 9.056 -5.859 -6.212 1.00 0.00 O ATOM 179 CB SER A 13 10.507 -6.982 -3.575 1.00 0.00 C ATOM 180 OG SER A 13 10.381 -8.141 -4.389 1.00 0.00 O ATOM 0 H SER A 13 11.004 -4.696 -2.640 1.00 0.00 H new ATOM 0 HA SER A 13 11.433 -5.973 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.355 -7.089 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.619 -6.861 -2.955 1.00 0.00 H new ATOM 0 HG SER A 13 10.261 -8.929 -3.819 1.00 0.00 H new ATOM 186 N ILE A 14 8.562 -4.592 -4.489 1.00 0.00 N ATOM 187 CA ILE A 14 7.247 -4.219 -5.086 1.00 0.00 C ATOM 188 C ILE A 14 7.461 -3.264 -6.262 1.00 0.00 C ATOM 189 O ILE A 14 6.538 -2.620 -6.720 1.00 0.00 O ATOM 190 CB ILE A 14 6.393 -3.527 -4.031 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.206 -2.409 -3.382 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.977 -4.538 -2.961 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.275 -1.486 -2.594 1.00 0.00 C ATOM 0 H ILE A 14 8.761 -4.175 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 14 6.745 -5.120 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 14 5.501 -3.111 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.961 -2.833 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.736 -1.841 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.366 -4.040 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.401 -5.340 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.867 -4.955 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.858 -0.689 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.537 -1.051 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.765 -2.059 -1.819 1.00 0.00 H new ATOM 205 N GLY A 15 8.668 -3.167 -6.755 1.00 0.00 N ATOM 206 CA GLY A 15 8.946 -2.254 -7.908 1.00 0.00 C ATOM 207 C GLY A 15 8.126 -0.966 -7.776 1.00 0.00 C ATOM 208 O GLY A 15 7.873 -0.490 -6.686 1.00 0.00 O ATOM 0 H GLY A 15 9.477 -3.682 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.009 -2.015 -7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.701 -2.755 -8.845 1.00 0.00 H new ATOM 212 N GLU A 16 7.707 -0.402 -8.881 1.00 0.00 N ATOM 213 CA GLU A 16 6.899 0.854 -8.832 1.00 0.00 C ATOM 214 C GLU A 16 5.631 0.670 -9.668 1.00 0.00 C ATOM 215 O GLU A 16 5.634 0.857 -10.868 1.00 0.00 O ATOM 216 CB GLU A 16 7.723 2.016 -9.405 1.00 0.00 C ATOM 217 CG GLU A 16 6.852 3.274 -9.545 1.00 0.00 C ATOM 218 CD GLU A 16 6.042 3.494 -8.264 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.928 3.002 -8.199 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.551 4.153 -7.371 1.00 0.00 O ATOM 0 H GLU A 16 7.891 -0.759 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 16 6.629 1.075 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.571 2.224 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.129 1.737 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.481 4.142 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.180 3.168 -10.397 1.00 0.00 H new ATOM 227 N VAL A 17 4.543 0.306 -9.042 1.00 0.00 N ATOM 228 CA VAL A 17 3.278 0.116 -9.802 1.00 0.00 C ATOM 229 C VAL A 17 2.867 1.459 -10.411 1.00 0.00 C ATOM 230 O VAL A 17 3.528 2.459 -10.215 1.00 0.00 O ATOM 231 CB VAL A 17 2.188 -0.390 -8.847 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.802 0.725 -7.875 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.949 -0.826 -9.641 1.00 0.00 C ATOM 0 H VAL A 17 4.478 0.133 -8.039 1.00 0.00 H new ATOM 0 HA VAL A 17 3.417 -0.615 -10.598 1.00 0.00 H new ATOM 0 HB VAL A 17 2.574 -1.245 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.028 0.365 -7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.678 1.025 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.425 1.581 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.183 -1.183 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.562 0.022 -10.206 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.221 -1.627 -10.329 1.00 0.00 H new ATOM 243 N THR A 18 1.794 1.500 -11.151 1.00 0.00 N ATOM 244 CA THR A 18 1.378 2.791 -11.762 1.00 0.00 C ATOM 245 C THR A 18 0.997 3.772 -10.655 1.00 0.00 C ATOM 246 O THR A 18 0.221 3.465 -9.775 1.00 0.00 O ATOM 247 CB THR A 18 0.172 2.550 -12.686 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.263 1.205 -12.547 1.00 0.00 O ATOM 249 CG2 THR A 18 0.575 2.803 -14.142 1.00 0.00 C ATOM 0 H THR A 18 1.192 0.703 -11.357 1.00 0.00 H new ATOM 0 HA THR A 18 2.200 3.208 -12.345 1.00 0.00 H new ATOM 0 HB THR A 18 -0.634 3.230 -12.412 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.033 1.048 -13.133 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.283 2.631 -14.792 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.913 3.833 -14.252 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.382 2.125 -14.419 1.00 0.00 H new ATOM 257 N LYS A 19 1.521 4.961 -10.711 1.00 0.00 N ATOM 258 CA LYS A 19 1.170 5.977 -9.683 1.00 0.00 C ATOM 259 C LYS A 19 -0.346 6.111 -9.675 1.00 0.00 C ATOM 260 O LYS A 19 -1.002 5.852 -8.687 1.00 0.00 O ATOM 261 CB LYS A 19 1.810 7.318 -10.054 1.00 0.00 C ATOM 262 CG LYS A 19 1.886 7.452 -11.588 1.00 0.00 C ATOM 263 CD LYS A 19 3.351 7.581 -12.032 1.00 0.00 C ATOM 264 CE LYS A 19 4.062 6.229 -11.877 1.00 0.00 C ATOM 265 NZ LYS A 19 3.746 5.365 -13.050 1.00 0.00 N ATOM 0 H LYS A 19 2.178 5.275 -11.425 1.00 0.00 H new ATOM 0 HA LYS A 19 1.533 5.680 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.226 8.138 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.809 7.386 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.429 6.582 -12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.320 8.325 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.398 7.910 -13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.857 8.339 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.139 6.379 -11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.743 5.741 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.959 4.374 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.738 5.457 -13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.321 5.661 -13.864 1.00 0.00 H new ATOM 279 N GLU A 20 -0.906 6.487 -10.794 1.00 0.00 N ATOM 280 CA GLU A 20 -2.379 6.606 -10.897 1.00 0.00 C ATOM 281 C GLU A 20 -2.998 5.410 -10.183 1.00 0.00 C ATOM 282 O GLU A 20 -3.980 5.526 -9.484 1.00 0.00 O ATOM 283 CB GLU A 20 -2.771 6.615 -12.375 1.00 0.00 C ATOM 284 CG GLU A 20 -4.253 6.231 -12.563 1.00 0.00 C ATOM 285 CD GLU A 20 -4.357 4.969 -13.424 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.041 5.019 -14.434 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.751 3.975 -13.060 1.00 0.00 O ATOM 0 H GLU A 20 -0.396 6.718 -11.646 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.735 7.528 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.593 7.605 -12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.140 5.918 -12.925 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.720 6.060 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.793 7.051 -13.036 1.00 0.00 H new ATOM 294 N ASP A 21 -2.408 4.260 -10.332 1.00 0.00 N ATOM 295 CA ASP A 21 -2.954 3.064 -9.636 1.00 0.00 C ATOM 296 C ASP A 21 -3.182 3.435 -8.173 1.00 0.00 C ATOM 297 O ASP A 21 -4.196 3.114 -7.587 1.00 0.00 O ATOM 298 CB ASP A 21 -1.964 1.895 -9.738 1.00 0.00 C ATOM 299 CG ASP A 21 -2.715 0.571 -9.578 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.243 -0.269 -8.829 1.00 0.00 O ATOM 301 OD2 ASP A 21 -3.750 0.420 -10.207 1.00 0.00 O ATOM 0 H ASP A 21 -1.577 4.096 -10.901 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.892 2.754 -10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.453 1.921 -10.700 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.198 1.986 -8.968 1.00 0.00 H new ATOM 306 N LEU A 22 -2.257 4.147 -7.589 1.00 0.00 N ATOM 307 CA LEU A 22 -2.431 4.572 -6.174 1.00 0.00 C ATOM 308 C LEU A 22 -3.495 5.659 -6.132 1.00 0.00 C ATOM 309 O LEU A 22 -4.136 5.890 -5.125 1.00 0.00 O ATOM 310 CB LEU A 22 -1.117 5.135 -5.626 1.00 0.00 C ATOM 311 CG LEU A 22 -0.134 3.995 -5.345 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.249 3.303 -6.658 1.00 0.00 C ATOM 313 CD2 LEU A 22 1.121 4.566 -4.679 1.00 0.00 C ATOM 0 H LEU A 22 -1.390 4.452 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.727 3.717 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.683 5.831 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.306 5.697 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.602 3.266 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.949 2.493 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.646 2.898 -7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.717 4.025 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.825 3.759 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.586 5.295 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.847 5.052 -3.743 1.00 0.00 H new ATOM 325 N LEU A 23 -3.683 6.324 -7.230 1.00 0.00 N ATOM 326 CA LEU A 23 -4.698 7.400 -7.295 1.00 0.00 C ATOM 327 C LEU A 23 -6.083 6.768 -7.429 1.00 0.00 C ATOM 328 O LEU A 23 -6.936 6.962 -6.585 1.00 0.00 O ATOM 329 CB LEU A 23 -4.369 8.289 -8.499 1.00 0.00 C ATOM 330 CG LEU A 23 -2.908 8.762 -8.394 1.00 0.00 C ATOM 331 CD1 LEU A 23 -2.628 9.828 -9.468 1.00 0.00 C ATOM 332 CD2 LEU A 23 -2.652 9.367 -7.007 1.00 0.00 C ATOM 0 H LEU A 23 -3.169 6.165 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.691 8.010 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.519 7.736 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.041 9.147 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.249 7.907 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.593 10.160 -9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.799 9.402 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.294 10.678 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.616 9.699 -6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.316 10.217 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.842 8.615 -6.241 1.00 0.00 H new ATOM 344 N LEU A 24 -6.325 5.987 -8.452 1.00 0.00 N ATOM 345 CA LEU A 24 -7.662 5.349 -8.553 1.00 0.00 C ATOM 346 C LEU A 24 -7.874 4.513 -7.305 1.00 0.00 C ATOM 347 O LEU A 24 -8.923 4.546 -6.715 1.00 0.00 O ATOM 348 CB LEU A 24 -7.774 4.456 -9.792 1.00 0.00 C ATOM 349 CG LEU A 24 -6.737 3.321 -9.754 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.393 2.029 -9.253 1.00 0.00 C ATOM 351 CD2 LEU A 24 -6.195 3.085 -11.169 1.00 0.00 C ATOM 0 H LEU A 24 -5.669 5.770 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.421 6.126 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.777 4.034 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.628 5.056 -10.690 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.926 3.601 -9.082 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.652 1.230 -9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.789 2.187 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.206 1.750 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.459 2.281 -11.147 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.015 2.808 -11.831 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.725 3.998 -11.535 1.00 0.00 H new ATOM 363 N LYS A 25 -6.878 3.783 -6.871 1.00 0.00 N ATOM 364 CA LYS A 25 -7.057 2.981 -5.634 1.00 0.00 C ATOM 365 C LYS A 25 -7.635 3.914 -4.570 1.00 0.00 C ATOM 366 O LYS A 25 -8.521 3.557 -3.819 1.00 0.00 O ATOM 367 CB LYS A 25 -5.702 2.425 -5.186 1.00 0.00 C ATOM 368 CG LYS A 25 -5.365 1.172 -6.002 1.00 0.00 C ATOM 369 CD LYS A 25 -3.894 0.799 -5.794 1.00 0.00 C ATOM 370 CE LYS A 25 -3.685 -0.678 -6.137 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.228 -0.995 -6.101 1.00 0.00 N ATOM 0 H LYS A 25 -5.963 3.711 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.728 2.138 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.926 3.178 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.730 2.183 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.006 0.345 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.558 1.352 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.258 1.422 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.603 0.987 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.223 -1.307 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.091 -0.894 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.923 -1.333 -7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.693 -0.139 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.051 -1.734 -5.391 1.00 0.00 H new ATOM 385 N SER A 26 -7.149 5.124 -4.533 1.00 0.00 N ATOM 386 CA SER A 26 -7.662 6.125 -3.563 1.00 0.00 C ATOM 387 C SER A 26 -9.047 6.590 -4.026 1.00 0.00 C ATOM 388 O SER A 26 -9.575 7.574 -3.547 1.00 0.00 O ATOM 389 CB SER A 26 -6.711 7.327 -3.536 1.00 0.00 C ATOM 390 OG SER A 26 -6.895 8.051 -2.326 1.00 0.00 O ATOM 0 H SER A 26 -6.407 5.464 -5.144 1.00 0.00 H new ATOM 0 HA SER A 26 -7.728 5.686 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.678 6.989 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.902 7.974 -4.392 1.00 0.00 H new ATOM 0 HG SER A 26 -7.851 8.219 -2.187 1.00 0.00 H new ATOM 396 N LYS A 27 -9.624 5.909 -4.985 1.00 0.00 N ATOM 397 CA LYS A 27 -10.953 6.341 -5.504 1.00 0.00 C ATOM 398 C LYS A 27 -11.908 6.627 -4.343 1.00 0.00 C ATOM 399 O LYS A 27 -12.528 7.671 -4.301 1.00 0.00 O ATOM 400 CB LYS A 27 -11.549 5.270 -6.434 1.00 0.00 C ATOM 401 CG LYS A 27 -11.238 3.854 -5.920 1.00 0.00 C ATOM 402 CD LYS A 27 -12.439 2.940 -6.171 1.00 0.00 C ATOM 403 CE LYS A 27 -12.649 2.792 -7.680 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.806 1.888 -7.936 1.00 0.00 N ATOM 0 H LYS A 27 -9.233 5.077 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.816 7.256 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.628 5.405 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.146 5.392 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.356 3.459 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.009 3.885 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.270 1.963 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.332 3.357 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.830 3.768 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.749 2.389 -8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.948 1.788 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.615 0.954 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.663 2.290 -7.505 1.00 0.00 H new ATOM 418 N GLY A 28 -12.032 5.739 -3.386 1.00 0.00 N ATOM 419 CA GLY A 28 -12.943 6.028 -2.247 1.00 0.00 C ATOM 420 C GLY A 28 -13.669 4.768 -1.802 1.00 0.00 C ATOM 421 O GLY A 28 -14.592 4.834 -1.021 1.00 0.00 O ATOM 0 H GLY A 28 -11.548 4.842 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.372 6.437 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.669 6.787 -2.540 1.00 0.00 H new ATOM 425 N THR A 29 -13.289 3.623 -2.287 1.00 0.00 N ATOM 426 CA THR A 29 -14.001 2.395 -1.853 1.00 0.00 C ATOM 427 C THR A 29 -13.148 1.143 -2.104 1.00 0.00 C ATOM 428 O THR A 29 -12.396 1.065 -3.055 1.00 0.00 O ATOM 429 CB THR A 29 -15.309 2.292 -2.638 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.309 3.260 -3.678 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.507 2.537 -1.715 1.00 0.00 C ATOM 0 H THR A 29 -12.530 3.485 -2.954 1.00 0.00 H new ATOM 0 HA THR A 29 -14.199 2.456 -0.783 1.00 0.00 H new ATOM 0 HB THR A 29 -15.390 1.291 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.146 3.196 -4.185 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.430 2.460 -2.289 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.511 1.792 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.433 3.533 -1.279 1.00 0.00 H new ATOM 439 N CYS A 30 -13.299 0.148 -1.269 1.00 0.00 N ATOM 440 CA CYS A 30 -12.545 -1.131 -1.458 1.00 0.00 C ATOM 441 C CYS A 30 -13.007 -1.755 -2.774 1.00 0.00 C ATOM 442 O CYS A 30 -14.183 -1.763 -3.077 1.00 0.00 O ATOM 443 CB CYS A 30 -12.856 -2.093 -0.300 1.00 0.00 C ATOM 444 SG CYS A 30 -12.046 -3.693 -0.590 1.00 0.00 S ATOM 0 H CYS A 30 -13.917 0.165 -0.458 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.472 -0.940 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.510 -1.666 0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.933 -2.232 -0.211 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.707 -4.631 0.021 1.00 0.00 H new ATOM 449 N GLN A 31 -12.112 -2.268 -3.570 1.00 0.00 N ATOM 450 CA GLN A 31 -12.550 -2.866 -4.862 1.00 0.00 C ATOM 451 C GLN A 31 -13.171 -4.240 -4.615 1.00 0.00 C ATOM 452 O GLN A 31 -13.763 -4.828 -5.498 1.00 0.00 O ATOM 453 CB GLN A 31 -11.364 -3.000 -5.819 1.00 0.00 C ATOM 454 CG GLN A 31 -10.246 -3.832 -5.178 1.00 0.00 C ATOM 455 CD GLN A 31 -10.558 -5.324 -5.324 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.777 -6.197 -4.749 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -11.517 -5.698 -5.969 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.109 -2.300 -3.386 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.293 -2.210 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.689 -3.471 -6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.986 -2.011 -6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.292 -3.603 -5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.147 -3.574 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.127 -5.015 -6.418 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.712 -6.695 -6.061 1.00 0.00 H new ATOM 466 N SER A 32 -13.046 -4.756 -3.422 1.00 0.00 N ATOM 467 CA SER A 32 -13.633 -6.093 -3.120 1.00 0.00 C ATOM 468 C SER A 32 -14.772 -5.935 -2.108 1.00 0.00 C ATOM 469 O SER A 32 -15.583 -6.823 -1.934 1.00 0.00 O ATOM 470 CB SER A 32 -12.553 -7.002 -2.537 1.00 0.00 C ATOM 471 OG SER A 32 -11.547 -7.222 -3.516 1.00 0.00 O ATOM 0 H SER A 32 -12.562 -4.309 -2.643 1.00 0.00 H new ATOM 0 HA SER A 32 -14.023 -6.535 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.118 -6.545 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.989 -7.952 -2.227 1.00 0.00 H new ATOM 0 HG SER A 32 -10.811 -6.590 -3.377 1.00 0.00 H new ATOM 477 N CYS A 33 -14.839 -4.811 -1.440 1.00 0.00 N ATOM 478 CA CYS A 33 -15.928 -4.597 -0.439 1.00 0.00 C ATOM 479 C CYS A 33 -16.663 -3.292 -0.740 1.00 0.00 C ATOM 480 O CYS A 33 -17.793 -3.105 -0.334 1.00 0.00 O ATOM 481 CB CYS A 33 -15.326 -4.523 0.968 1.00 0.00 C ATOM 482 SG CYS A 33 -14.314 -5.986 1.265 1.00 0.00 S ATOM 0 H CYS A 33 -14.187 -4.033 -1.544 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.630 -5.429 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.721 -3.622 1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.120 -4.459 1.712 1.00 0.00 H new ATOM 0 HG CYS A 33 -14.209 -6.189 2.545 1.00 0.00 H new ATOM 487 N GLY A 34 -16.037 -2.376 -1.430 1.00 0.00 N ATOM 488 CA GLY A 34 -16.726 -1.088 -1.721 1.00 0.00 C ATOM 489 C GLY A 34 -17.238 -0.511 -0.402 1.00 0.00 C ATOM 490 O GLY A 34 -18.425 -0.457 -0.151 1.00 0.00 O ATOM 0 H GLY A 34 -15.090 -2.463 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.040 -0.390 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.553 -1.247 -2.413 1.00 0.00 H new ATOM 494 N VAL A 35 -16.338 -0.113 0.457 1.00 0.00 N ATOM 495 CA VAL A 35 -16.745 0.422 1.789 1.00 0.00 C ATOM 496 C VAL A 35 -16.594 1.950 1.862 1.00 0.00 C ATOM 497 O VAL A 35 -17.479 2.626 2.342 1.00 0.00 O ATOM 498 CB VAL A 35 -15.878 -0.246 2.861 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.163 -1.756 2.859 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.399 -0.005 2.549 1.00 0.00 C ATOM 0 H VAL A 35 -15.332 -0.136 0.292 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.799 0.198 1.953 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.110 0.175 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.551 -2.243 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.217 -1.928 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.923 -2.170 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.784 -0.481 3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.159 -0.429 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.199 1.067 2.538 1.00 0.00 H new ATOM 510 N THR A 36 -15.497 2.508 1.405 1.00 0.00 N ATOM 511 CA THR A 36 -15.332 3.992 1.480 1.00 0.00 C ATOM 512 C THR A 36 -13.862 4.349 1.264 1.00 0.00 C ATOM 513 O THR A 36 -13.042 3.495 1.005 1.00 0.00 O ATOM 514 CB THR A 36 -15.773 4.517 2.857 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.199 5.799 3.072 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.306 3.563 3.962 1.00 0.00 C ATOM 0 H THR A 36 -14.716 2.003 0.987 1.00 0.00 H new ATOM 0 HA THR A 36 -15.951 4.450 0.709 1.00 0.00 H new ATOM 0 HB THR A 36 -16.861 4.584 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.758 6.483 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.624 3.946 4.932 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.742 2.577 3.800 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.219 3.487 3.941 1.00 0.00 H new ATOM 524 N GLY A 37 -13.529 5.609 1.358 1.00 0.00 N ATOM 525 CA GLY A 37 -12.116 6.038 1.145 1.00 0.00 C ATOM 526 C GLY A 37 -11.361 6.089 2.473 1.00 0.00 C ATOM 527 O GLY A 37 -10.436 5.337 2.698 1.00 0.00 O ATOM 0 H GLY A 37 -14.180 6.364 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.619 5.346 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.096 7.020 0.672 1.00 0.00 H new ATOM 531 N PRO A 38 -11.730 6.983 3.343 1.00 0.00 N ATOM 532 CA PRO A 38 -11.056 7.127 4.648 1.00 0.00 C ATOM 533 C PRO A 38 -10.749 5.773 5.288 1.00 0.00 C ATOM 534 O PRO A 38 -11.589 4.900 5.369 1.00 0.00 O ATOM 535 CB PRO A 38 -12.034 7.930 5.513 1.00 0.00 C ATOM 536 CG PRO A 38 -13.208 8.277 4.636 1.00 0.00 C ATOM 537 CD PRO A 38 -12.816 7.952 3.191 1.00 0.00 C ATOM 0 HA PRO A 38 -10.091 7.623 4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.355 7.347 6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.559 8.832 5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.089 7.707 4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.463 9.332 4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.653 7.533 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.488 8.842 2.654 1.00 0.00 H new ATOM 545 N ASN A 39 -9.540 5.609 5.731 1.00 0.00 N ATOM 546 CA ASN A 39 -9.113 4.334 6.374 1.00 0.00 C ATOM 547 C ASN A 39 -9.100 3.207 5.336 1.00 0.00 C ATOM 548 O ASN A 39 -9.422 2.073 5.632 1.00 0.00 O ATOM 549 CB ASN A 39 -10.051 3.981 7.544 1.00 0.00 C ATOM 550 CG ASN A 39 -9.395 4.385 8.867 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.802 5.544 8.960 1.00 0.00 O flip ATOM 552 ND2 ASN A 39 -9.423 3.639 9.826 1.00 0.00 N flip ATOM 0 H ASN A 39 -8.810 6.319 5.675 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.105 4.458 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.005 4.496 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.264 2.912 7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.886 2.733 9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.983 3.919 10.703 1.00 0.00 H new ATOM 559 N LEU A 40 -8.702 3.500 4.127 1.00 0.00 N ATOM 560 CA LEU A 40 -8.641 2.431 3.090 1.00 0.00 C ATOM 561 C LEU A 40 -7.242 1.812 3.125 1.00 0.00 C ATOM 562 O LEU A 40 -6.374 2.251 3.851 1.00 0.00 O ATOM 563 CB LEU A 40 -8.878 3.023 1.687 1.00 0.00 C ATOM 564 CG LEU A 40 -10.348 2.906 1.246 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.430 3.240 -0.247 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.870 1.475 1.455 1.00 0.00 C ATOM 0 H LEU A 40 -8.418 4.428 3.814 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.410 1.686 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.582 4.072 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.242 2.509 0.966 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.953 3.591 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.465 3.163 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.070 4.255 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.814 2.540 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.911 1.417 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.271 0.780 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.799 1.212 2.510 1.00 0.00 H new ATOM 578 N TRP A 41 -7.016 0.809 2.331 1.00 0.00 N ATOM 579 CA TRP A 41 -5.671 0.170 2.296 1.00 0.00 C ATOM 580 C TRP A 41 -5.546 -0.648 1.012 1.00 0.00 C ATOM 581 O TRP A 41 -6.043 -1.753 0.911 1.00 0.00 O ATOM 582 CB TRP A 41 -5.481 -0.726 3.529 1.00 0.00 C ATOM 583 CG TRP A 41 -4.296 -0.248 4.313 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.053 -0.073 3.807 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.220 0.122 5.721 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.219 0.381 4.814 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.892 0.517 6.012 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.163 0.154 6.764 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.514 0.929 7.292 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.786 0.568 8.052 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.465 0.955 8.315 1.00 0.00 C ATOM 0 H TRP A 41 -7.706 0.400 1.701 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.896 0.936 2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.376 -0.703 4.151 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.334 -1.761 3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.760 -0.258 2.784 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.229 0.590 4.687 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.184 -0.142 6.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.494 1.225 7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.519 0.588 8.845 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.182 1.273 9.308 1.00 0.00 H new ATOM 602 N ALA A 42 -4.905 -0.100 0.018 1.00 0.00 N ATOM 603 CA ALA A 42 -4.766 -0.825 -1.271 1.00 0.00 C ATOM 604 C ALA A 42 -3.431 -1.563 -1.337 1.00 0.00 C ATOM 605 O ALA A 42 -2.409 -1.070 -0.906 1.00 0.00 O ATOM 606 CB ALA A 42 -4.835 0.184 -2.417 1.00 0.00 C ATOM 0 H ALA A 42 -4.470 0.822 0.045 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.572 -1.554 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.734 -0.338 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.793 0.703 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.027 0.908 -2.313 1.00 0.00 H new ATOM 612 N CYS A 43 -3.435 -2.740 -1.903 1.00 0.00 N ATOM 613 CA CYS A 43 -2.171 -3.510 -2.031 1.00 0.00 C ATOM 614 C CYS A 43 -1.186 -2.680 -2.852 1.00 0.00 C ATOM 615 O CYS A 43 -1.584 -1.863 -3.658 1.00 0.00 O ATOM 616 CB CYS A 43 -2.450 -4.836 -2.738 1.00 0.00 C ATOM 617 SG CYS A 43 -1.176 -6.035 -2.282 1.00 0.00 S ATOM 0 H CYS A 43 -4.263 -3.200 -2.282 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.752 -3.719 -1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.435 -5.210 -2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.459 -4.691 -3.818 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.716 -7.209 -2.142 1.00 0.00 H new ATOM 622 N LEU A 44 0.092 -2.855 -2.645 1.00 0.00 N ATOM 623 CA LEU A 44 1.075 -2.037 -3.410 1.00 0.00 C ATOM 624 C LEU A 44 2.217 -2.906 -3.956 1.00 0.00 C ATOM 625 O LEU A 44 3.371 -2.539 -3.871 1.00 0.00 O ATOM 626 CB LEU A 44 1.646 -0.963 -2.479 1.00 0.00 C ATOM 627 CG LEU A 44 2.390 0.099 -3.303 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.401 1.157 -3.807 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.452 0.775 -2.430 1.00 0.00 C ATOM 0 H LEU A 44 0.494 -3.522 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 44 0.568 -1.578 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.841 -0.497 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.325 -1.418 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 44 2.868 -0.383 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.936 1.906 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.646 0.681 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.917 1.637 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.979 1.528 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.971 1.251 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.162 0.027 -2.077 1.00 0.00 H new ATOM 641 N GLN A 45 1.917 -4.045 -4.530 1.00 0.00 N ATOM 642 CA GLN A 45 3.011 -4.900 -5.087 1.00 0.00 C ATOM 643 C GLN A 45 3.147 -4.634 -6.592 1.00 0.00 C ATOM 644 O GLN A 45 2.172 -4.433 -7.287 1.00 0.00 O ATOM 645 CB GLN A 45 2.704 -6.385 -4.852 1.00 0.00 C ATOM 646 CG GLN A 45 1.742 -6.534 -3.680 1.00 0.00 C ATOM 647 CD GLN A 45 2.492 -6.270 -2.373 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.441 -5.179 -1.840 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.191 -7.228 -1.831 1.00 0.00 N ATOM 0 H GLN A 45 0.973 -4.417 -4.636 1.00 0.00 H new ATOM 0 HA GLN A 45 3.945 -4.653 -4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.268 -6.822 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.627 -6.929 -4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.913 -5.834 -3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.314 -7.537 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.234 -8.144 -2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.695 -7.062 -0.960 1.00 0.00 H new ATOM 658 N VAL A 46 4.354 -4.620 -7.092 1.00 0.00 N ATOM 659 CA VAL A 46 4.565 -4.355 -8.550 1.00 0.00 C ATOM 660 C VAL A 46 3.594 -5.179 -9.403 1.00 0.00 C ATOM 661 O VAL A 46 3.497 -4.978 -10.597 1.00 0.00 O ATOM 662 CB VAL A 46 6.002 -4.727 -8.939 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.328 -6.132 -8.428 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.144 -4.697 -10.466 1.00 0.00 C ATOM 0 H VAL A 46 5.206 -4.781 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 46 4.386 -3.295 -8.732 1.00 0.00 H new ATOM 0 HB VAL A 46 6.691 -4.010 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.349 -6.393 -8.706 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.230 -6.156 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.637 -6.850 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.165 -4.961 -10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.452 -5.412 -10.910 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.917 -3.696 -10.833 1.00 0.00 H new ATOM 674 N ALA A 47 2.884 -6.113 -8.823 1.00 0.00 N ATOM 675 CA ALA A 47 1.948 -6.938 -9.647 1.00 0.00 C ATOM 676 C ALA A 47 0.640 -7.195 -8.895 1.00 0.00 C ATOM 677 O ALA A 47 0.101 -8.283 -8.939 1.00 0.00 O ATOM 678 CB ALA A 47 2.611 -8.279 -9.973 1.00 0.00 C ATOM 0 H ALA A 47 2.910 -6.339 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 47 1.722 -6.394 -10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.932 -8.884 -10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.531 -8.104 -10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.843 -8.805 -9.047 1.00 0.00 H new ATOM 684 N CYS A 48 0.114 -6.212 -8.214 1.00 0.00 N ATOM 685 CA CYS A 48 -1.165 -6.433 -7.481 1.00 0.00 C ATOM 686 C CYS A 48 -1.988 -5.141 -7.446 1.00 0.00 C ATOM 687 O CYS A 48 -1.986 -4.424 -6.465 1.00 0.00 O ATOM 688 CB CYS A 48 -0.863 -6.872 -6.052 1.00 0.00 C ATOM 689 SG CYS A 48 -2.301 -7.740 -5.385 1.00 0.00 S ATOM 0 H CYS A 48 0.510 -5.275 -8.134 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.735 -7.206 -7.995 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.011 -7.523 -6.035 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.627 -6.006 -5.434 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.348 -7.575 -4.096 1.00 0.00 H new ATOM 694 N PRO A 49 -2.702 -4.854 -8.502 1.00 0.00 N ATOM 695 CA PRO A 49 -3.556 -3.643 -8.583 1.00 0.00 C ATOM 696 C PRO A 49 -4.963 -3.898 -8.027 1.00 0.00 C ATOM 697 O PRO A 49 -5.808 -4.461 -8.690 1.00 0.00 O ATOM 698 CB PRO A 49 -3.613 -3.375 -10.084 1.00 0.00 C ATOM 699 CG PRO A 49 -3.518 -4.728 -10.725 1.00 0.00 C ATOM 700 CD PRO A 49 -2.771 -5.643 -9.739 1.00 0.00 C ATOM 0 HA PRO A 49 -3.165 -2.811 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.540 -2.872 -10.360 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.794 -2.730 -10.401 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.511 -5.123 -10.941 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.986 -4.668 -11.674 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.303 -6.582 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.777 -5.897 -10.106 1.00 0.00 H new ATOM 708 N TYR A 50 -5.215 -3.475 -6.815 1.00 0.00 N ATOM 709 CA TYR A 50 -6.557 -3.677 -6.197 1.00 0.00 C ATOM 710 C TYR A 50 -6.597 -2.892 -4.886 1.00 0.00 C ATOM 711 O TYR A 50 -5.664 -2.937 -4.108 1.00 0.00 O ATOM 712 CB TYR A 50 -6.774 -5.165 -5.893 1.00 0.00 C ATOM 713 CG TYR A 50 -7.067 -5.918 -7.171 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.256 -5.677 -7.872 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.148 -6.858 -7.658 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.526 -6.375 -9.056 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.419 -7.556 -8.841 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.607 -7.314 -9.540 1.00 0.00 C ATOM 719 OH TYR A 50 -7.874 -8.002 -10.706 1.00 0.00 O ATOM 0 H TYR A 50 -4.540 -2.993 -6.222 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.336 -3.336 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.888 -5.579 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.601 -5.285 -5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.965 -4.952 -7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.230 -7.044 -7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.443 -6.189 -9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.711 -8.281 -9.214 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.134 -8.614 -10.902 1.00 0.00 H new ATOM 729 N VAL A 51 -7.655 -2.169 -4.624 1.00 0.00 N ATOM 730 CA VAL A 51 -7.711 -1.391 -3.353 1.00 0.00 C ATOM 731 C VAL A 51 -8.587 -2.120 -2.334 1.00 0.00 C ATOM 732 O VAL A 51 -9.793 -2.174 -2.449 1.00 0.00 O ATOM 733 CB VAL A 51 -8.251 0.017 -3.625 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.390 -0.055 -4.641 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.753 0.652 -2.323 1.00 0.00 C ATOM 0 H VAL A 51 -8.473 -2.084 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.706 -1.301 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.447 0.633 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.771 0.948 -4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.021 -0.486 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.192 -0.679 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.134 1.652 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.551 0.039 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.932 0.717 -1.609 1.00 0.00 H new ATOM 745 N GLY A 52 -7.967 -2.683 -1.335 1.00 0.00 N ATOM 746 CA GLY A 52 -8.723 -3.424 -0.288 1.00 0.00 C ATOM 747 C GLY A 52 -9.229 -2.453 0.779 1.00 0.00 C ATOM 748 O GLY A 52 -9.122 -1.250 0.640 1.00 0.00 O ATOM 0 H GLY A 52 -6.956 -2.661 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.564 -3.951 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.082 -4.178 0.169 1.00 0.00 H new ATOM 752 N CYS A 53 -9.782 -2.969 1.843 1.00 0.00 N ATOM 753 CA CYS A 53 -10.303 -2.088 2.925 1.00 0.00 C ATOM 754 C CYS A 53 -9.284 -1.978 4.035 1.00 0.00 C ATOM 755 O CYS A 53 -8.308 -2.698 4.102 1.00 0.00 O ATOM 756 CB CYS A 53 -11.547 -2.708 3.589 1.00 0.00 C ATOM 757 SG CYS A 53 -11.622 -4.479 3.229 1.00 0.00 S ATOM 0 H CYS A 53 -9.895 -3.969 2.009 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.529 -1.126 2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.512 -2.549 4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.448 -2.216 3.223 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.691 -4.736 2.536 1.00 0.00 H new ATOM 762 N GLY A 54 -9.587 -1.124 4.949 1.00 0.00 N ATOM 763 CA GLY A 54 -8.763 -0.961 6.159 1.00 0.00 C ATOM 764 C GLY A 54 -9.713 -1.314 7.287 1.00 0.00 C ATOM 765 O GLY A 54 -10.910 -1.292 7.087 1.00 0.00 O ATOM 0 H GLY A 54 -10.400 -0.510 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.895 -1.620 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.388 0.058 6.255 1.00 0.00 H new ATOM 769 N GLU A 55 -9.238 -1.669 8.441 1.00 0.00 N ATOM 770 CA GLU A 55 -10.186 -2.041 9.542 1.00 0.00 C ATOM 771 C GLU A 55 -11.532 -1.374 9.302 1.00 0.00 C ATOM 772 O GLU A 55 -12.574 -1.948 9.544 1.00 0.00 O ATOM 773 CB GLU A 55 -9.635 -1.568 10.876 1.00 0.00 C ATOM 774 CG GLU A 55 -9.710 -0.040 10.960 1.00 0.00 C ATOM 775 CD GLU A 55 -8.808 0.456 12.092 1.00 0.00 C ATOM 776 OE1 GLU A 55 -7.608 0.254 11.998 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.332 1.026 13.033 1.00 0.00 O ATOM 0 H GLU A 55 -8.247 -1.721 8.678 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.305 -3.124 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.203 -2.014 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.602 -1.897 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.399 0.402 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.739 0.275 11.136 1.00 0.00 H new ATOM 784 N SER A 56 -11.500 -0.175 8.799 1.00 0.00 N ATOM 785 CA SER A 56 -12.760 0.553 8.489 1.00 0.00 C ATOM 786 C SER A 56 -13.847 -0.467 8.148 1.00 0.00 C ATOM 787 O SER A 56 -14.979 -0.354 8.573 1.00 0.00 O ATOM 788 CB SER A 56 -12.521 1.462 7.283 1.00 0.00 C ATOM 789 OG SER A 56 -12.543 2.819 7.706 1.00 0.00 O ATOM 0 H SER A 56 -10.645 0.339 8.587 1.00 0.00 H new ATOM 0 HA SER A 56 -13.071 1.152 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.562 1.228 6.822 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.288 1.292 6.527 1.00 0.00 H new ATOM 0 HG SER A 56 -12.865 3.385 6.973 1.00 0.00 H new ATOM 795 N PHE A 57 -13.495 -1.476 7.389 1.00 0.00 N ATOM 796 CA PHE A 57 -14.492 -2.523 7.023 1.00 0.00 C ATOM 797 C PHE A 57 -14.011 -3.880 7.519 1.00 0.00 C ATOM 798 O PHE A 57 -14.251 -4.273 8.643 1.00 0.00 O ATOM 799 CB PHE A 57 -14.649 -2.588 5.508 1.00 0.00 C ATOM 800 CG PHE A 57 -15.611 -3.699 5.152 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.181 -4.775 4.364 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.934 -3.656 5.613 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.072 -5.805 4.039 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.824 -4.687 5.287 1.00 0.00 C ATOM 805 CZ PHE A 57 -17.394 -5.761 4.500 1.00 0.00 C ATOM 0 H PHE A 57 -12.559 -1.617 7.008 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.448 -2.272 7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.019 -1.636 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.682 -2.765 5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.162 -4.810 4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.267 -2.827 6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.740 -6.634 3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.843 -4.653 5.643 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.081 -6.555 4.248 1.00 0.00 H new ATOM 815 N ALA A 58 -13.324 -4.589 6.673 1.00 0.00 N ATOM 816 CA ALA A 58 -12.795 -5.932 7.051 1.00 0.00 C ATOM 817 C ALA A 58 -11.276 -5.895 6.941 1.00 0.00 C ATOM 818 O ALA A 58 -10.588 -6.852 7.238 1.00 0.00 O ATOM 819 CB ALA A 58 -13.352 -6.990 6.096 1.00 0.00 C ATOM 0 H ALA A 58 -13.102 -4.294 5.722 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.094 -6.182 8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.965 -7.970 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.440 -6.999 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.048 -6.755 5.076 1.00 0.00 H new ATOM 825 N ASP A 59 -10.754 -4.781 6.515 1.00 0.00 N ATOM 826 CA ASP A 59 -9.283 -4.640 6.374 1.00 0.00 C ATOM 827 C ASP A 59 -8.725 -5.756 5.494 1.00 0.00 C ATOM 828 O ASP A 59 -7.936 -6.565 5.941 1.00 0.00 O ATOM 829 CB ASP A 59 -8.619 -4.694 7.752 1.00 0.00 C ATOM 830 CG ASP A 59 -7.104 -4.575 7.593 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.664 -3.558 7.083 1.00 0.00 O ATOM 832 OD2 ASP A 59 -6.411 -5.495 7.989 1.00 0.00 O ATOM 0 H ASP A 59 -11.291 -3.954 6.256 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.069 -3.679 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.994 -3.886 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.870 -5.629 8.252 1.00 0.00 H new ATOM 837 N HIS A 60 -9.100 -5.801 4.236 1.00 0.00 N ATOM 838 CA HIS A 60 -8.543 -6.861 3.345 1.00 0.00 C ATOM 839 C HIS A 60 -7.036 -6.889 3.583 1.00 0.00 C ATOM 840 O HIS A 60 -6.367 -7.868 3.351 1.00 0.00 O ATOM 841 CB HIS A 60 -8.816 -6.509 1.871 1.00 0.00 C ATOM 842 CG HIS A 60 -9.871 -7.416 1.293 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.876 -8.767 1.057 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -11.117 -6.948 0.869 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -11.093 -9.138 0.502 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.803 -8.014 0.410 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.758 -5.158 3.796 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.001 -7.826 3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.140 -5.471 1.794 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.896 -6.600 1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.465 -5.926 0.903 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.400 -10.130 0.206 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.751 -7.966 0.037 1.00 0.00 H new ATOM 854 N SER A 61 -6.515 -5.799 4.057 1.00 0.00 N ATOM 855 CA SER A 61 -5.056 -5.704 4.332 1.00 0.00 C ATOM 856 C SER A 61 -4.561 -6.971 5.031 1.00 0.00 C ATOM 857 O SER A 61 -3.429 -7.376 4.862 1.00 0.00 O ATOM 858 CB SER A 61 -4.812 -4.496 5.237 1.00 0.00 C ATOM 859 OG SER A 61 -3.515 -3.969 4.981 1.00 0.00 O ATOM 0 H SER A 61 -7.045 -4.954 4.270 1.00 0.00 H new ATOM 0 HA SER A 61 -4.515 -5.593 3.392 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.569 -3.733 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.898 -4.788 6.284 1.00 0.00 H new ATOM 0 HG SER A 61 -3.151 -3.582 5.804 1.00 0.00 H new ATOM 865 N THR A 62 -5.387 -7.592 5.825 1.00 0.00 N ATOM 866 CA THR A 62 -4.938 -8.817 6.538 1.00 0.00 C ATOM 867 C THR A 62 -5.204 -10.054 5.693 1.00 0.00 C ATOM 868 O THR A 62 -4.294 -10.738 5.280 1.00 0.00 O ATOM 869 CB THR A 62 -5.709 -8.966 7.845 1.00 0.00 C ATOM 870 OG1 THR A 62 -6.413 -7.766 8.123 1.00 0.00 O ATOM 871 CG2 THR A 62 -4.747 -9.281 8.994 1.00 0.00 C ATOM 0 H THR A 62 -6.348 -7.306 6.010 1.00 0.00 H new ATOM 0 HA THR A 62 -3.869 -8.723 6.731 1.00 0.00 H new ATOM 0 HB THR A 62 -6.419 -9.787 7.746 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.787 -7.012 8.123 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.310 -9.385 9.922 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.220 -10.212 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.025 -8.471 9.097 1.00 0.00 H new ATOM 879 N ILE A 63 -6.453 -10.364 5.460 1.00 0.00 N ATOM 880 CA ILE A 63 -6.767 -11.582 4.675 1.00 0.00 C ATOM 881 C ILE A 63 -6.093 -11.493 3.308 1.00 0.00 C ATOM 882 O ILE A 63 -5.649 -12.479 2.753 1.00 0.00 O ATOM 883 CB ILE A 63 -8.274 -11.731 4.495 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.855 -10.392 4.070 1.00 0.00 C ATOM 885 CG2 ILE A 63 -8.910 -12.175 5.815 1.00 0.00 C ATOM 886 CD1 ILE A 63 -10.237 -10.604 3.452 1.00 0.00 C ATOM 0 H ILE A 63 -7.260 -9.828 5.779 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.394 -12.453 5.214 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.482 -12.481 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.929 -9.727 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.194 -9.910 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.987 -12.280 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.486 -13.132 6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.710 -11.429 6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.651 -9.643 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.150 -11.253 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.896 -11.068 4.186 1.00 0.00 H new ATOM 898 N HIS A 64 -6.010 -10.315 2.766 1.00 0.00 N ATOM 899 CA HIS A 64 -5.358 -10.146 1.437 1.00 0.00 C ATOM 900 C HIS A 64 -3.852 -10.350 1.588 1.00 0.00 C ATOM 901 O HIS A 64 -3.227 -11.020 0.791 1.00 0.00 O ATOM 902 CB HIS A 64 -5.622 -8.744 0.889 1.00 0.00 C ATOM 903 CG HIS A 64 -4.967 -8.629 -0.454 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.693 -8.561 -1.634 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.647 -8.600 -0.821 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.810 -8.499 -2.646 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.550 -8.522 -2.204 1.00 0.00 N ATOM 0 H HIS A 64 -6.366 -9.456 3.186 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.770 -10.880 0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.694 -8.566 0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.226 -7.990 1.570 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.709 -8.558 -1.718 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.810 -8.633 -0.139 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.086 -8.438 -3.688 1.00 0.00 H new ATOM 915 N ALA A 65 -3.264 -9.802 2.617 1.00 0.00 N ATOM 916 CA ALA A 65 -1.801 -10.002 2.818 1.00 0.00 C ATOM 917 C ALA A 65 -1.619 -11.424 3.324 1.00 0.00 C ATOM 918 O ALA A 65 -0.562 -12.011 3.261 1.00 0.00 O ATOM 919 CB ALA A 65 -1.275 -9.012 3.859 1.00 0.00 C ATOM 0 H ALA A 65 -3.729 -9.229 3.321 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.253 -9.839 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.205 -9.166 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.453 -7.993 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.791 -9.171 4.806 1.00 0.00 H new ATOM 925 N GLN A 66 -2.679 -11.950 3.841 1.00 0.00 N ATOM 926 CA GLN A 66 -2.698 -13.321 4.403 1.00 0.00 C ATOM 927 C GLN A 66 -2.915 -14.350 3.286 1.00 0.00 C ATOM 928 O GLN A 66 -2.431 -15.464 3.350 1.00 0.00 O ATOM 929 CB GLN A 66 -3.886 -13.343 5.355 1.00 0.00 C ATOM 930 CG GLN A 66 -4.255 -14.758 5.798 1.00 0.00 C ATOM 931 CD GLN A 66 -3.451 -15.143 7.044 1.00 0.00 C ATOM 932 OE1 GLN A 66 -2.918 -14.292 7.728 1.00 0.00 O ATOM 933 NE2 GLN A 66 -3.340 -16.402 7.370 1.00 0.00 N ATOM 0 H GLN A 66 -3.575 -11.466 3.901 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.760 -13.569 4.900 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.655 -12.740 6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.746 -12.882 4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.322 -14.814 6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.054 -15.464 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.787 -17.118 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.807 -16.669 8.197 1.00 0.00 H new ATOM 942 N ALA A 67 -3.664 -13.994 2.279 1.00 0.00 N ATOM 943 CA ALA A 67 -3.948 -14.953 1.176 1.00 0.00 C ATOM 944 C ALA A 67 -2.874 -14.844 0.097 1.00 0.00 C ATOM 945 O ALA A 67 -2.409 -15.831 -0.438 1.00 0.00 O ATOM 946 CB ALA A 67 -5.320 -14.631 0.570 1.00 0.00 C ATOM 0 H ALA A 67 -4.093 -13.075 2.173 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.948 -15.968 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.534 -15.330 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.087 -14.720 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.315 -13.614 0.178 1.00 0.00 H new ATOM 952 N LYS A 68 -2.491 -13.645 -0.237 1.00 0.00 N ATOM 953 CA LYS A 68 -1.462 -13.450 -1.297 1.00 0.00 C ATOM 954 C LYS A 68 -0.107 -13.176 -0.655 1.00 0.00 C ATOM 955 O LYS A 68 0.878 -12.939 -1.325 1.00 0.00 O ATOM 956 CB LYS A 68 -1.877 -12.271 -2.170 1.00 0.00 C ATOM 957 CG LYS A 68 -3.274 -12.540 -2.751 1.00 0.00 C ATOM 958 CD LYS A 68 -4.341 -11.870 -1.883 1.00 0.00 C ATOM 959 CE LYS A 68 -5.699 -11.959 -2.581 1.00 0.00 C ATOM 960 NZ LYS A 68 -6.786 -11.730 -1.587 1.00 0.00 N ATOM 0 H LYS A 68 -2.848 -12.786 0.181 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.381 -14.348 -1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.885 -11.353 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.156 -12.128 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.332 -12.160 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.456 -13.614 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.389 -12.356 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.079 -10.827 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.759 -11.218 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.817 -12.938 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.710 -11.841 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.701 -12.421 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.706 -10.768 -1.201 1.00 0.00 H new ATOM 974 N LYS A 69 -0.056 -13.220 0.642 1.00 0.00 N ATOM 975 CA LYS A 69 1.225 -12.982 1.361 1.00 0.00 C ATOM 976 C LYS A 69 1.800 -11.606 0.998 1.00 0.00 C ATOM 977 O LYS A 69 2.951 -11.323 1.265 1.00 0.00 O ATOM 978 CB LYS A 69 2.233 -14.082 0.992 1.00 0.00 C ATOM 979 CG LYS A 69 2.139 -15.237 1.998 1.00 0.00 C ATOM 980 CD LYS A 69 0.673 -15.654 2.189 1.00 0.00 C ATOM 981 CE LYS A 69 0.603 -17.140 2.548 1.00 0.00 C ATOM 982 NZ LYS A 69 -0.749 -17.458 3.089 1.00 0.00 N ATOM 0 H LYS A 69 -0.856 -13.413 1.244 1.00 0.00 H new ATOM 0 HA LYS A 69 1.035 -13.005 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.032 -14.448 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.244 -13.674 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.723 -16.086 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.566 -14.933 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.215 -15.057 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.109 -15.463 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.806 -17.748 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.368 -17.383 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.660 -18.144 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.194 -16.588 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.338 -17.864 2.334 1.00 0.00 H new ATOM 996 N HIS A 70 1.013 -10.732 0.427 1.00 0.00 N ATOM 997 CA HIS A 70 1.544 -9.373 0.102 1.00 0.00 C ATOM 998 C HIS A 70 1.644 -8.596 1.418 1.00 0.00 C ATOM 999 O HIS A 70 0.661 -8.404 2.105 1.00 0.00 O ATOM 1000 CB HIS A 70 0.601 -8.662 -0.876 1.00 0.00 C ATOM 1001 CG HIS A 70 0.631 -9.385 -2.196 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -0.476 -9.455 -3.033 1.00 0.00 N ATOM 1003 CD2 HIS A 70 1.631 -10.073 -2.842 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -0.115 -10.163 -4.121 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.154 -10.560 -4.051 1.00 0.00 N ATOM 0 H HIS A 70 0.039 -10.896 0.174 1.00 0.00 H new ATOM 0 HA HIS A 70 2.523 -9.440 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.413 -8.647 -0.478 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.907 -7.624 -1.008 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.393 -9.046 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.634 -10.213 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.774 -10.382 -4.948 1.00 0.00 H new ATOM 1013 N ASN A 71 2.825 -8.183 1.805 1.00 0.00 N ATOM 1014 CA ASN A 71 2.968 -7.469 3.107 1.00 0.00 C ATOM 1015 C ASN A 71 2.785 -5.961 2.930 1.00 0.00 C ATOM 1016 O ASN A 71 2.222 -5.297 3.777 1.00 0.00 O ATOM 1017 CB ASN A 71 4.361 -7.751 3.680 1.00 0.00 C ATOM 1018 CG ASN A 71 5.350 -8.005 2.540 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.590 -7.057 1.676 1.00 0.00 O flip ATOM 1020 ND2 ASN A 71 5.909 -9.078 2.434 1.00 0.00 N flip ATOM 0 H ASN A 71 3.690 -8.309 1.279 1.00 0.00 H new ATOM 0 HA ASN A 71 2.198 -7.828 3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.695 -6.905 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.324 -8.617 4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.722 -9.819 3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.566 -9.238 1.670 1.00 0.00 H new ATOM 1027 N LEU A 72 3.281 -5.405 1.862 1.00 0.00 N ATOM 1028 CA LEU A 72 3.169 -3.930 1.675 1.00 0.00 C ATOM 1029 C LEU A 72 1.829 -3.518 1.065 1.00 0.00 C ATOM 1030 O LEU A 72 1.357 -4.081 0.098 1.00 0.00 O ATOM 1031 CB LEU A 72 4.295 -3.456 0.765 1.00 0.00 C ATOM 1032 CG LEU A 72 5.631 -3.624 1.487 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.765 -3.530 0.471 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.801 -2.523 2.544 1.00 0.00 C ATOM 0 H LEU A 72 3.758 -5.905 1.112 1.00 0.00 H new ATOM 0 HA LEU A 72 3.239 -3.468 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.295 -4.029 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.144 -2.411 0.494 1.00 0.00 H new ATOM 0 HG LEU A 72 5.653 -4.596 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.721 -3.649 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.651 -4.316 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.734 -2.557 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.756 -2.652 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.776 -1.547 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.991 -2.588 3.271 1.00 0.00 H new ATOM 1046 N THR A 73 1.251 -2.492 1.626 1.00 0.00 N ATOM 1047 CA THR A 73 -0.035 -1.940 1.120 1.00 0.00 C ATOM 1048 C THR A 73 -0.026 -0.447 1.453 1.00 0.00 C ATOM 1049 O THR A 73 0.734 -0.019 2.294 1.00 0.00 O ATOM 1050 CB THR A 73 -1.218 -2.620 1.816 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.352 -2.102 3.133 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.984 -4.130 1.885 1.00 0.00 C ATOM 0 H THR A 73 1.628 -2.001 2.436 1.00 0.00 H new ATOM 0 HA THR A 73 -0.138 -2.111 0.048 1.00 0.00 H new ATOM 0 HB THR A 73 -2.128 -2.424 1.249 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.265 -1.769 3.262 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.829 -4.607 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.883 -4.529 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.072 -4.332 2.447 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.827 0.361 0.809 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.787 1.825 1.124 1.00 0.00 C ATOM 1062 C VAL A 74 -2.155 2.335 1.572 1.00 0.00 C ATOM 1063 O VAL A 74 -3.162 2.126 0.925 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.320 2.596 -0.116 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.037 2.057 -1.355 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.641 4.088 0.044 1.00 0.00 C ATOM 0 H VAL A 74 -1.496 0.081 0.092 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.088 1.984 1.945 1.00 0.00 H new ATOM 0 HB VAL A 74 0.757 2.468 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.704 2.606 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.805 0.999 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.113 2.181 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.306 4.629 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.717 4.218 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.129 4.478 0.923 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.179 3.024 2.686 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.454 3.581 3.209 1.00 0.00 C ATOM 1078 C ASN A 75 -3.763 4.882 2.473 1.00 0.00 C ATOM 1079 O ASN A 75 -3.176 5.913 2.736 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.315 3.860 4.706 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.694 4.160 5.298 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.646 4.364 4.572 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.839 4.195 6.594 1.00 0.00 N ATOM 0 H ASN A 75 -1.358 3.224 3.258 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.262 2.866 3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.871 3.000 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.646 4.705 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.753 4.394 7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.038 4.023 7.202 1.00 0.00 H new ATOM 1090 N LEU A 76 -4.677 4.838 1.550 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.028 6.066 0.786 1.00 0.00 C ATOM 1092 C LEU A 76 -5.695 7.063 1.728 1.00 0.00 C ATOM 1093 O LEU A 76 -6.174 8.104 1.320 1.00 0.00 O ATOM 1094 CB LEU A 76 -5.983 5.694 -0.352 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.506 4.381 -1.021 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -6.699 3.450 -1.310 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -4.766 4.699 -2.330 1.00 0.00 C ATOM 0 H LEU A 76 -5.199 4.002 1.289 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.130 6.517 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.995 5.571 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.018 6.497 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.828 3.873 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.340 2.534 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.204 3.205 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.398 3.951 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.434 3.771 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.437 5.225 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.902 5.327 -2.116 1.00 0.00 H new ATOM 1109 N THR A 77 -5.715 6.755 2.993 1.00 0.00 N ATOM 1110 CA THR A 77 -6.332 7.676 3.983 1.00 0.00 C ATOM 1111 C THR A 77 -5.267 8.643 4.483 1.00 0.00 C ATOM 1112 O THR A 77 -5.516 9.817 4.675 1.00 0.00 O ATOM 1113 CB THR A 77 -6.862 6.861 5.159 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.750 5.870 4.670 1.00 0.00 O ATOM 1115 CG2 THR A 77 -7.589 7.789 6.137 1.00 0.00 C ATOM 0 H THR A 77 -5.327 5.897 3.386 1.00 0.00 H new ATOM 0 HA THR A 77 -7.150 8.229 3.521 1.00 0.00 H new ATOM 0 HB THR A 77 -6.036 6.378 5.682 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.330 4.988 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.968 7.207 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.896 8.547 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.421 8.275 5.627 1.00 0.00 H new ATOM 1123 N THR A 78 -4.081 8.147 4.706 1.00 0.00 N ATOM 1124 CA THR A 78 -2.979 9.020 5.212 1.00 0.00 C ATOM 1125 C THR A 78 -1.825 9.083 4.205 1.00 0.00 C ATOM 1126 O THR A 78 -0.979 9.952 4.277 1.00 0.00 O ATOM 1127 CB THR A 78 -2.457 8.459 6.534 1.00 0.00 C ATOM 1128 OG1 THR A 78 -3.547 8.250 7.420 1.00 0.00 O ATOM 1129 CG2 THR A 78 -1.470 9.446 7.157 1.00 0.00 C ATOM 0 H THR A 78 -3.825 7.171 4.559 1.00 0.00 H new ATOM 0 HA THR A 78 -3.373 10.026 5.356 1.00 0.00 H new ATOM 0 HB THR A 78 -1.950 7.512 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.500 7.343 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.099 9.044 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.634 9.603 6.476 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.972 10.396 7.340 1.00 0.00 H new ATOM 1137 N PHE A 79 -1.785 8.182 3.264 1.00 0.00 N ATOM 1138 CA PHE A 79 -0.690 8.202 2.248 1.00 0.00 C ATOM 1139 C PHE A 79 0.603 7.617 2.837 1.00 0.00 C ATOM 1140 O PHE A 79 1.665 8.202 2.751 1.00 0.00 O ATOM 1141 CB PHE A 79 -0.450 9.646 1.771 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.202 9.656 0.280 1.00 0.00 C ATOM 1143 CD1 PHE A 79 1.025 9.218 -0.231 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -1.203 10.104 -0.591 1.00 0.00 C ATOM 1145 CE1 PHE A 79 1.250 9.226 -1.613 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -0.978 10.113 -1.972 1.00 0.00 C ATOM 1147 CZ PHE A 79 0.249 9.675 -2.483 1.00 0.00 C ATOM 0 H PHE A 79 -2.464 7.429 3.152 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.988 7.589 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.314 10.266 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.405 10.075 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.798 8.874 0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.149 10.443 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.196 8.886 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.751 10.458 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.424 9.683 -3.549 1.00 0.00 H new ATOM 1157 N ARG A 80 0.521 6.441 3.395 1.00 0.00 N ATOM 1158 CA ARG A 80 1.727 5.767 3.953 1.00 0.00 C ATOM 1159 C ARG A 80 1.601 4.288 3.612 1.00 0.00 C ATOM 1160 O ARG A 80 0.652 3.878 2.979 1.00 0.00 O ATOM 1161 CB ARG A 80 1.821 5.945 5.476 1.00 0.00 C ATOM 1162 CG ARG A 80 0.467 6.372 6.059 1.00 0.00 C ATOM 1163 CD ARG A 80 0.393 5.935 7.527 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.697 6.676 8.224 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.657 6.832 9.520 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -1.616 7.475 10.129 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.341 6.346 10.207 1.00 0.00 N ATOM 0 H ARG A 80 -0.345 5.910 3.489 1.00 0.00 H new ATOM 0 HA ARG A 80 2.629 6.205 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.142 5.011 5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.577 6.694 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.348 7.453 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.346 5.921 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.211 4.862 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.346 6.125 8.020 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.475 7.061 7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.396 7.855 9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.585 7.597 11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.091 5.844 9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.371 6.469 11.219 1.00 0.00 H new ATOM 1181 N LEU A 81 2.542 3.485 4.005 1.00 0.00 N ATOM 1182 CA LEU A 81 2.460 2.036 3.671 1.00 0.00 C ATOM 1183 C LEU A 81 2.291 1.207 4.938 1.00 0.00 C ATOM 1184 O LEU A 81 2.260 1.716 6.039 1.00 0.00 O ATOM 1185 CB LEU A 81 3.744 1.614 2.946 1.00 0.00 C ATOM 1186 CG LEU A 81 3.539 1.670 1.427 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.867 2.023 0.748 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.036 0.311 0.900 1.00 0.00 C ATOM 0 H LEU A 81 3.363 3.764 4.541 1.00 0.00 H new ATOM 0 HA LEU A 81 1.597 1.866 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.565 2.271 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.024 0.604 3.245 1.00 0.00 H new ATOM 0 HG LEU A 81 2.793 2.431 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.724 2.063 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.212 2.994 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.611 1.263 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.896 0.369 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.769 -0.462 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.087 0.065 1.376 1.00 0.00 H new ATOM 1200 N TRP A 82 2.191 -0.076 4.769 1.00 0.00 N ATOM 1201 CA TRP A 82 2.035 -0.993 5.924 1.00 0.00 C ATOM 1202 C TRP A 82 2.570 -2.354 5.501 1.00 0.00 C ATOM 1203 O TRP A 82 1.994 -3.026 4.668 1.00 0.00 O ATOM 1204 CB TRP A 82 0.554 -1.111 6.298 1.00 0.00 C ATOM 1205 CG TRP A 82 0.374 -2.124 7.391 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.367 -2.656 8.145 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.864 -2.732 7.865 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.817 -3.548 9.046 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.554 -3.630 8.914 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.212 -2.593 7.490 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.545 -4.363 9.567 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -3.213 -3.329 8.145 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.879 -4.212 9.181 1.00 0.00 C ATOM 0 H TRP A 82 2.211 -0.538 3.860 1.00 0.00 H new ATOM 0 HA TRP A 82 2.579 -0.617 6.790 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.176 -0.142 6.624 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.027 -1.402 5.423 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.417 -2.421 8.056 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.359 -4.081 9.726 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.480 -1.915 6.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.283 -5.042 10.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.245 -3.214 7.849 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.653 -4.776 9.681 1.00 0.00 H new ATOM 1224 N CYS A 83 3.677 -2.760 6.046 1.00 0.00 N ATOM 1225 CA CYS A 83 4.256 -4.065 5.654 1.00 0.00 C ATOM 1226 C CYS A 83 3.790 -5.148 6.613 1.00 0.00 C ATOM 1227 O CYS A 83 4.236 -5.208 7.730 1.00 0.00 O ATOM 1228 CB CYS A 83 5.781 -3.972 5.715 1.00 0.00 C ATOM 1229 SG CYS A 83 6.488 -4.967 4.386 1.00 0.00 S ATOM 0 H CYS A 83 4.206 -2.242 6.748 1.00 0.00 H new ATOM 0 HA CYS A 83 3.932 -4.313 4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.098 -2.934 5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.141 -4.325 6.681 1.00 0.00 H new ATOM 0 HG CYS A 83 7.710 -5.290 4.689 1.00 0.00 H new ATOM 1234 N TYR A 84 2.927 -6.026 6.192 1.00 0.00 N ATOM 1235 CA TYR A 84 2.509 -7.108 7.118 1.00 0.00 C ATOM 1236 C TYR A 84 3.719 -8.018 7.307 1.00 0.00 C ATOM 1237 O TYR A 84 3.672 -9.012 8.005 1.00 0.00 O ATOM 1238 CB TYR A 84 1.333 -7.896 6.525 1.00 0.00 C ATOM 1239 CG TYR A 84 0.565 -8.569 7.639 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -0.380 -7.844 8.376 1.00 0.00 C ATOM 1241 CD2 TYR A 84 0.798 -9.918 7.935 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -1.091 -8.467 9.407 1.00 0.00 C ATOM 1243 CE2 TYR A 84 0.087 -10.541 8.966 1.00 0.00 C ATOM 1244 CZ TYR A 84 -0.858 -9.816 9.703 1.00 0.00 C ATOM 1245 OH TYR A 84 -1.559 -10.431 10.720 1.00 0.00 O ATOM 0 H TYR A 84 2.501 -6.042 5.266 1.00 0.00 H new ATOM 0 HA TYR A 84 2.177 -6.698 8.072 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.676 -7.227 5.969 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.700 -8.642 5.820 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.560 -6.804 8.148 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.527 -10.477 7.367 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.820 -7.908 9.975 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.267 -11.581 9.194 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.277 -11.367 10.792 1.00 0.00 H new ATOM 1255 N ALA A 85 4.820 -7.649 6.701 1.00 0.00 N ATOM 1256 CA ALA A 85 6.069 -8.437 6.844 1.00 0.00 C ATOM 1257 C ALA A 85 6.923 -7.717 7.885 1.00 0.00 C ATOM 1258 O ALA A 85 7.061 -8.167 9.005 1.00 0.00 O ATOM 1259 CB ALA A 85 6.821 -8.498 5.513 1.00 0.00 C ATOM 0 H ALA A 85 4.901 -6.824 6.107 1.00 0.00 H new ATOM 0 HA ALA A 85 5.847 -9.460 7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.734 -9.080 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.190 -8.970 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.075 -7.488 5.192 1.00 0.00 H new ATOM 1265 N CYS A 86 7.448 -6.563 7.546 1.00 0.00 N ATOM 1266 CA CYS A 86 8.221 -5.798 8.544 1.00 0.00 C ATOM 1267 C CYS A 86 7.218 -5.402 9.617 1.00 0.00 C ATOM 1268 O CYS A 86 7.557 -4.929 10.684 1.00 0.00 O ATOM 1269 CB CYS A 86 8.817 -4.545 7.892 1.00 0.00 C ATOM 1270 SG CYS A 86 9.771 -5.018 6.430 1.00 0.00 S ATOM 0 H CYS A 86 7.369 -6.130 6.626 1.00 0.00 H new ATOM 0 HA CYS A 86 9.046 -6.379 8.956 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.021 -3.855 7.612 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.457 -4.022 8.603 1.00 0.00 H new ATOM 0 HG CYS A 86 9.445 -4.251 5.432 1.00 0.00 H new ATOM 1275 N GLU A 87 5.966 -5.615 9.311 1.00 0.00 N ATOM 1276 CA GLU A 87 4.873 -5.289 10.260 1.00 0.00 C ATOM 1277 C GLU A 87 5.083 -3.879 10.815 1.00 0.00 C ATOM 1278 O GLU A 87 5.308 -3.678 11.992 1.00 0.00 O ATOM 1279 CB GLU A 87 4.869 -6.342 11.370 1.00 0.00 C ATOM 1280 CG GLU A 87 3.536 -7.098 11.373 1.00 0.00 C ATOM 1281 CD GLU A 87 2.438 -6.202 11.950 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.559 -5.816 11.197 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.497 -5.917 13.134 1.00 0.00 O ATOM 0 H GLU A 87 5.653 -6.009 8.424 1.00 0.00 H new ATOM 0 HA GLU A 87 3.904 -5.304 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.692 -7.041 11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.027 -5.864 12.337 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.276 -7.401 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.624 -8.009 11.965 1.00 0.00 H new ATOM 1290 N LYS A 88 5.000 -2.896 9.958 1.00 0.00 N ATOM 1291 CA LYS A 88 5.182 -1.486 10.404 1.00 0.00 C ATOM 1292 C LYS A 88 4.657 -0.548 9.316 1.00 0.00 C ATOM 1293 O LYS A 88 4.195 -0.985 8.284 1.00 0.00 O ATOM 1294 CB LYS A 88 6.666 -1.209 10.640 1.00 0.00 C ATOM 1295 CG LYS A 88 7.471 -1.782 9.474 1.00 0.00 C ATOM 1296 CD LYS A 88 8.911 -1.253 9.523 1.00 0.00 C ATOM 1297 CE LYS A 88 9.699 -1.955 10.640 1.00 0.00 C ATOM 1298 NZ LYS A 88 10.289 -0.931 11.548 1.00 0.00 N ATOM 0 H LYS A 88 4.813 -3.011 8.962 1.00 0.00 H new ATOM 0 HA LYS A 88 4.634 -1.322 11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.840 -0.136 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.989 -1.661 11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.473 -2.871 9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.005 -1.506 8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.400 -1.420 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.905 -0.177 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.042 -2.619 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.487 -2.574 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.823 -1.404 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.928 -0.314 11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.528 -0.359 11.967 1.00 0.00 H new ATOM 1312 N GLU A 89 4.729 0.734 9.539 1.00 0.00 N ATOM 1313 CA GLU A 89 4.234 1.710 8.519 1.00 0.00 C ATOM 1314 C GLU A 89 5.432 2.369 7.832 1.00 0.00 C ATOM 1315 O GLU A 89 6.461 2.582 8.441 1.00 0.00 O ATOM 1316 CB GLU A 89 3.381 2.778 9.223 1.00 0.00 C ATOM 1317 CG GLU A 89 1.996 2.870 8.568 1.00 0.00 C ATOM 1318 CD GLU A 89 1.001 3.472 9.563 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.444 4.137 10.484 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.187 3.255 9.387 1.00 0.00 O ATOM 0 H GLU A 89 5.111 1.153 10.387 1.00 0.00 H new ATOM 0 HA GLU A 89 3.629 1.198 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.276 2.531 10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.881 3.745 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.047 3.486 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.662 1.880 8.257 1.00 0.00 H new ATOM 1327 N VAL A 90 5.318 2.691 6.568 1.00 0.00 N ATOM 1328 CA VAL A 90 6.473 3.328 5.872 1.00 0.00 C ATOM 1329 C VAL A 90 5.967 4.203 4.720 1.00 0.00 C ATOM 1330 O VAL A 90 4.965 3.926 4.109 1.00 0.00 O ATOM 1331 CB VAL A 90 7.408 2.227 5.331 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.587 2.030 6.292 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.633 0.909 5.211 1.00 0.00 C ATOM 0 H VAL A 90 4.487 2.542 5.996 1.00 0.00 H new ATOM 0 HA VAL A 90 7.023 3.956 6.573 1.00 0.00 H new ATOM 0 HB VAL A 90 7.781 2.526 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.245 1.251 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.143 2.963 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.212 1.735 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.294 0.132 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.258 0.617 6.192 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.795 1.041 4.527 1.00 0.00 H new ATOM 1343 N PHE A 91 6.662 5.261 4.423 1.00 0.00 N ATOM 1344 CA PHE A 91 6.236 6.160 3.312 1.00 0.00 C ATOM 1345 C PHE A 91 7.094 5.892 2.096 1.00 0.00 C ATOM 1346 O PHE A 91 8.107 5.225 2.172 1.00 0.00 O ATOM 1347 CB PHE A 91 6.467 7.618 3.687 1.00 0.00 C ATOM 1348 CG PHE A 91 5.621 7.987 4.883 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.925 7.465 6.146 1.00 0.00 C ATOM 1350 CD2 PHE A 91 4.531 8.854 4.729 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.141 7.807 7.253 1.00 0.00 C ATOM 1352 CE2 PHE A 91 3.747 9.197 5.837 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.051 8.673 7.099 1.00 0.00 C ATOM 0 H PHE A 91 7.515 5.547 4.905 1.00 0.00 H new ATOM 0 HA PHE A 91 5.180 5.974 3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.521 7.781 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.219 8.262 2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.766 6.798 6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.296 9.258 3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.376 7.403 8.227 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.908 9.866 5.718 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.445 8.936 7.954 1.00 0.00 H new ATOM 1363 N LEU A 92 6.719 6.445 0.981 1.00 0.00 N ATOM 1364 CA LEU A 92 7.537 6.269 -0.236 1.00 0.00 C ATOM 1365 C LEU A 92 9.000 6.414 0.178 1.00 0.00 C ATOM 1366 O LEU A 92 9.328 7.162 1.076 1.00 0.00 O ATOM 1367 CB LEU A 92 7.170 7.351 -1.268 1.00 0.00 C ATOM 1368 CG LEU A 92 6.346 8.464 -0.594 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.436 9.754 -1.418 1.00 0.00 C ATOM 1370 CD2 LEU A 92 4.877 8.030 -0.496 1.00 0.00 C ATOM 0 H LEU A 92 5.879 7.012 0.864 1.00 0.00 H new ATOM 0 HA LEU A 92 7.361 5.293 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.076 7.771 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.599 6.908 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 92 6.744 8.644 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.851 10.536 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.477 10.070 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.045 9.574 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.296 8.819 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.485 7.845 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.806 7.118 0.096 1.00 0.00 H new ATOM 1382 N GLU A 93 9.873 5.701 -0.451 1.00 0.00 N ATOM 1383 CA GLU A 93 11.313 5.793 -0.078 1.00 0.00 C ATOM 1384 C GLU A 93 11.764 7.257 -0.148 1.00 0.00 C ATOM 1385 O GLU A 93 12.918 7.571 0.067 1.00 0.00 O ATOM 1386 CB GLU A 93 12.172 4.919 -1.005 1.00 0.00 C ATOM 1387 CG GLU A 93 11.637 4.962 -2.440 1.00 0.00 C ATOM 1388 CD GLU A 93 12.115 3.722 -3.200 1.00 0.00 C ATOM 1389 OE1 GLU A 93 13.022 3.067 -2.714 1.00 0.00 O ATOM 1390 OE2 GLU A 93 11.565 3.448 -4.254 1.00 0.00 O ATOM 0 H GLU A 93 9.660 5.054 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 93 11.441 5.426 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.205 5.267 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.175 3.891 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.548 5.000 -2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.984 5.865 -2.942 1.00 0.00 H new ATOM 1397 N GLN A 94 10.853 8.154 -0.435 1.00 0.00 N ATOM 1398 CA GLN A 94 11.202 9.604 -0.509 1.00 0.00 C ATOM 1399 C GLN A 94 12.198 9.860 -1.645 1.00 0.00 C ATOM 1400 O GLN A 94 12.176 10.901 -2.271 1.00 0.00 O ATOM 1401 CB GLN A 94 11.810 10.059 0.819 1.00 0.00 C ATOM 1402 CG GLN A 94 10.980 9.500 1.978 1.00 0.00 C ATOM 1403 CD GLN A 94 11.405 10.176 3.282 1.00 0.00 C ATOM 1404 OE1 GLN A 94 12.580 10.738 3.359 1.00 0.00 O flip ATOM 1405 NE2 GLN A 94 10.659 10.192 4.241 1.00 0.00 N flip ATOM 0 H GLN A 94 9.874 7.940 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 94 10.292 10.171 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.841 9.714 0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.834 11.148 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.919 9.672 1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.120 8.422 2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.741 9.752 4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.951 10.645 5.107 1.00 0.00 H new