USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 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 23 SER OG : rot 130:sc= 0.182 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 179:sc= 1.07 (180deg=0.866) USER MOD Set 2.1: A 7 SER OG : rot 23:sc= -0.194 USER MOD Set 2.2: A 10 GLN :FLIP amide:sc= -1.61! C(o=-8.8!,f=-1.8!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.221 (180deg=-0.754) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0144 (180deg=-0.148) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -2.17 F(o=-4!,f=-2.2) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0507 F(o=-2.7!,f=-0.051) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.485 F(o=-1.9,f=-0.48) USER MOD Single : A 27 ASN : amide:sc= -0.0974 X(o=-0.097,f=-0.4) USER MOD Single : A 28 MET CE :methyl 157:sc= -0.161 (180deg=-0.801) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -16:sc= 1.24 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -7:sc= -1.6! USER MOD Single : A 58 ASN : amide:sc= -0.225 X(o=-0.23,f=0.0013) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 1.54 (180deg=1.3) USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.115 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.94 K(o=-0.94,f=-2.5) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0328) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= 1.19 (180deg=-0.611) USER MOD Single : A 79 SER OG : rot -87:sc= 0.395 USER MOD Single : A 81 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.072) USER MOD Single : A 82 LYS NZ :NH3+ 141:sc= -0.896 (180deg=-2.45!) USER MOD Single : A 88 HIS : no HE2:sc= -0.0755 K(o=-0.075,f=-0.92) USER MOD Single : A 89 GLN : amide:sc= 0.285 K(o=0.29,f=-4!) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.762 -0.364 -4.914 1.00 32.24 N ATOM 2 CA MET A 1 10.776 -1.439 -4.618 1.00 44.25 C ATOM 3 C MET A 1 10.009 -1.149 -3.320 1.00 22.12 C ATOM 4 O MET A 1 10.508 -0.452 -2.437 1.00 41.21 O ATOM 5 CB MET A 1 11.488 -2.796 -4.492 1.00 71.41 C ATOM 6 CG MET A 1 12.200 -3.252 -5.759 1.00 51.24 C ATOM 7 SD MET A 1 13.048 -4.829 -5.545 1.00 22.21 S ATOM 8 CE MET A 1 11.682 -5.903 -5.104 1.00 34.43 C ATOM 0 H1 MET A 1 11.634 -0.035 -5.892 1.00 32.24 H new ATOM 0 H2 MET A 1 11.616 0.431 -4.259 1.00 32.24 H new ATOM 0 H3 MET A 1 12.726 -0.736 -4.797 1.00 32.24 H new ATOM 0 HA MET A 1 10.066 -1.471 -5.444 1.00 44.25 H new ATOM 0 HB2 MET A 1 12.215 -2.737 -3.682 1.00 71.41 H new ATOM 0 HB3 MET A 1 10.756 -3.552 -4.209 1.00 71.41 H new ATOM 0 HG2 MET A 1 11.475 -3.340 -6.568 1.00 51.24 H new ATOM 0 HG3 MET A 1 12.922 -2.493 -6.059 1.00 51.24 H new ATOM 0 HE1 MET A 1 11.962 -6.941 -5.285 1.00 34.43 H new ATOM 0 HE2 MET A 1 11.441 -5.770 -4.049 1.00 34.43 H new ATOM 0 HE3 MET A 1 10.811 -5.652 -5.710 1.00 34.43 H new ATOM 20 N THR A 2 8.791 -1.678 -3.216 1.00 2.01 N ATOM 21 CA THR A 2 8.006 -1.590 -1.976 1.00 71.13 C ATOM 22 C THR A 2 8.211 -2.843 -1.117 1.00 35.11 C ATOM 23 O THR A 2 8.727 -2.763 -0.001 1.00 43.43 O ATOM 24 CB THR A 2 6.494 -1.409 -2.266 1.00 3.23 C ATOM 25 OG1 THR A 2 6.020 -2.467 -3.115 1.00 65.13 O ATOM 26 CG2 THR A 2 6.224 -0.063 -2.931 1.00 41.42 C ATOM 0 H THR A 2 8.322 -2.174 -3.974 1.00 2.01 H new ATOM 0 HA THR A 2 8.361 -0.713 -1.434 1.00 71.13 H new ATOM 0 HB THR A 2 5.963 -1.442 -1.315 1.00 3.23 H new ATOM 0 HG1 THR A 2 5.064 -2.343 -3.290 1.00 65.13 H new ATOM 0 HG21 THR A 2 5.156 0.040 -3.124 1.00 41.42 H new ATOM 0 HG22 THR A 2 6.553 0.741 -2.272 1.00 41.42 H new ATOM 0 HG23 THR A 2 6.770 -0.006 -3.873 1.00 41.42 H new ATOM 34 N ALA A 3 7.809 -3.997 -1.659 1.00 13.31 N ATOM 35 CA ALA A 3 8.024 -5.301 -1.012 1.00 75.35 C ATOM 36 C ALA A 3 7.188 -5.469 0.268 1.00 11.03 C ATOM 37 O ALA A 3 6.255 -4.704 0.527 1.00 2.52 O ATOM 38 CB ALA A 3 9.510 -5.511 -0.718 1.00 42.22 C ATOM 0 H ALA A 3 7.327 -4.057 -2.556 1.00 13.31 H new ATOM 0 HA ALA A 3 7.687 -6.066 -1.711 1.00 75.35 H new ATOM 0 HB1 ALA A 3 9.653 -6.480 -0.239 1.00 42.22 H new ATOM 0 HB2 ALA A 3 10.073 -5.480 -1.651 1.00 42.22 H new ATOM 0 HB3 ALA A 3 9.864 -4.723 -0.054 1.00 42.22 H new ATOM 44 N ALA A 4 7.503 -6.509 1.041 1.00 73.11 N ATOM 45 CA ALA A 4 6.862 -6.741 2.338 1.00 11.33 C ATOM 46 C ALA A 4 7.583 -5.967 3.456 1.00 73.22 C ATOM 47 O ALA A 4 8.813 -5.889 3.468 1.00 1.44 O ATOM 48 CB ALA A 4 6.839 -8.235 2.652 1.00 31.41 C ATOM 0 H ALA A 4 8.202 -7.208 0.790 1.00 73.11 H new ATOM 0 HA ALA A 4 5.836 -6.376 2.284 1.00 11.33 H new ATOM 0 HB1 ALA A 4 6.361 -8.396 3.618 1.00 31.41 H new ATOM 0 HB2 ALA A 4 6.280 -8.761 1.878 1.00 31.41 H new ATOM 0 HB3 ALA A 4 7.860 -8.616 2.685 1.00 31.41 H new ATOM 54 N PRO A 5 6.828 -5.390 4.419 1.00 35.12 N ATOM 55 CA PRO A 5 7.404 -4.599 5.524 1.00 54.40 C ATOM 56 C PRO A 5 8.528 -5.340 6.273 1.00 12.50 C ATOM 57 O PRO A 5 9.628 -4.809 6.443 1.00 44.11 O ATOM 58 CB PRO A 5 6.200 -4.338 6.454 1.00 42.50 C ATOM 59 CG PRO A 5 5.116 -5.255 5.977 1.00 33.42 C ATOM 60 CD PRO A 5 5.361 -5.454 4.508 1.00 1.23 C ATOM 0 HA PRO A 5 7.878 -3.688 5.159 1.00 54.40 H new ATOM 0 HB2 PRO A 5 6.456 -4.542 7.494 1.00 42.50 H new ATOM 0 HB3 PRO A 5 5.883 -3.296 6.402 1.00 42.50 H new ATOM 0 HG2 PRO A 5 5.146 -6.205 6.510 1.00 33.42 H new ATOM 0 HG3 PRO A 5 4.132 -4.821 6.154 1.00 33.42 H new ATOM 0 HD2 PRO A 5 4.974 -6.411 4.158 1.00 1.23 H new ATOM 0 HD3 PRO A 5 4.884 -4.679 3.908 1.00 1.23 H new ATOM 68 N ALA A 6 8.230 -6.561 6.721 1.00 22.21 N ATOM 69 CA ALA A 6 9.212 -7.445 7.370 1.00 34.04 C ATOM 70 C ALA A 6 9.723 -6.898 8.718 1.00 63.10 C ATOM 71 O ALA A 6 9.330 -7.381 9.780 1.00 3.24 O ATOM 72 CB ALA A 6 10.379 -7.728 6.428 1.00 31.34 C ATOM 0 H ALA A 6 7.299 -6.970 6.646 1.00 22.21 H new ATOM 0 HA ALA A 6 8.693 -8.377 7.593 1.00 34.04 H new ATOM 0 HB1 ALA A 6 11.096 -8.383 6.923 1.00 31.34 H new ATOM 0 HB2 ALA A 6 10.008 -8.213 5.525 1.00 31.34 H new ATOM 0 HB3 ALA A 6 10.868 -6.791 6.162 1.00 31.34 H new ATOM 78 N SER A 7 10.599 -5.897 8.671 1.00 32.10 N ATOM 79 CA SER A 7 11.196 -5.331 9.890 1.00 54.21 C ATOM 80 C SER A 7 10.231 -4.363 10.595 1.00 22.01 C ATOM 81 O SER A 7 9.559 -3.554 9.946 1.00 42.45 O ATOM 82 CB SER A 7 12.517 -4.613 9.563 1.00 42.33 C ATOM 83 OG SER A 7 12.317 -3.530 8.669 1.00 62.03 O ATOM 0 H SER A 7 10.914 -5.458 7.806 1.00 32.10 H new ATOM 0 HA SER A 7 11.400 -6.159 10.569 1.00 54.21 H new ATOM 0 HB2 SER A 7 12.970 -4.246 10.484 1.00 42.33 H new ATOM 0 HB3 SER A 7 13.218 -5.323 9.124 1.00 42.33 H new ATOM 0 HG SER A 7 11.388 -3.224 8.729 1.00 62.03 H new ATOM 89 N PRO A 8 10.154 -4.427 11.943 1.00 53.32 N ATOM 90 CA PRO A 8 9.225 -3.602 12.743 1.00 71.24 C ATOM 91 C PRO A 8 9.282 -2.097 12.409 1.00 11.53 C ATOM 92 O PRO A 8 8.281 -1.389 12.532 1.00 5.30 O ATOM 93 CB PRO A 8 9.667 -3.857 14.201 1.00 32.54 C ATOM 94 CG PRO A 8 10.975 -4.580 14.110 1.00 2.23 C ATOM 95 CD PRO A 8 10.956 -5.316 12.801 1.00 71.50 C ATOM 0 HA PRO A 8 8.190 -3.876 12.541 1.00 71.24 H new ATOM 0 HB2 PRO A 8 9.775 -2.920 14.746 1.00 32.54 H new ATOM 0 HB3 PRO A 8 8.927 -4.453 14.735 1.00 32.54 H new ATOM 0 HG2 PRO A 8 11.810 -3.881 14.151 1.00 2.23 H new ATOM 0 HG3 PRO A 8 11.097 -5.271 14.944 1.00 2.23 H new ATOM 0 HD2 PRO A 8 11.961 -5.464 12.405 1.00 71.50 H new ATOM 0 HD3 PRO A 8 10.503 -6.303 12.898 1.00 71.50 H new ATOM 103 N GLN A 9 10.448 -1.612 11.985 1.00 30.43 N ATOM 104 CA GLN A 9 10.601 -0.195 11.628 1.00 43.31 C ATOM 105 C GLN A 9 9.694 0.212 10.446 1.00 4.33 C ATOM 106 O GLN A 9 9.237 1.357 10.376 1.00 20.32 O ATOM 107 CB GLN A 9 12.073 0.129 11.332 1.00 33.43 C ATOM 108 CG GLN A 9 12.728 -0.792 10.310 1.00 54.25 C ATOM 109 CD GLN A 9 14.217 -0.520 10.150 1.00 4.00 C ATOM 110 OE1 GLN A 9 14.633 0.264 9.307 1.00 72.21 O ATOM 111 NE2 GLN A 9 15.033 -1.162 10.961 1.00 4.22 N ATOM 0 H GLN A 9 11.295 -2.170 11.880 1.00 30.43 H new ATOM 0 HA GLN A 9 10.280 0.394 12.487 1.00 43.31 H new ATOM 0 HB2 GLN A 9 12.141 1.156 10.973 1.00 33.43 H new ATOM 0 HB3 GLN A 9 12.638 0.078 12.263 1.00 33.43 H new ATOM 0 HG2 GLN A 9 12.582 -1.829 10.614 1.00 54.25 H new ATOM 0 HG3 GLN A 9 12.234 -0.670 9.346 1.00 54.25 H new ATOM 0 HE21 GLN A 9 14.658 -1.810 11.654 1.00 4.22 H new ATOM 0 HE22 GLN A 9 16.040 -1.011 10.896 1.00 4.22 H new ATOM 120 N GLN A 10 9.416 -0.723 9.528 1.00 61.21 N ATOM 121 CA GLN A 10 8.458 -0.459 8.438 1.00 62.41 C ATOM 122 C GLN A 10 7.030 -0.335 8.993 1.00 73.13 C ATOM 123 O GLN A 10 6.243 0.499 8.539 1.00 1.52 O ATOM 124 CB GLN A 10 8.504 -1.559 7.353 1.00 14.01 C ATOM 125 CG GLN A 10 9.365 -1.224 6.128 1.00 62.01 C ATOM 126 CD GLN A 10 10.850 -1.524 6.297 1.00 61.25 C ATOM 127 OE1 GLN A 10 11.374 -1.372 7.494 1.00 43.20 O flip ATOM 128 NE2 GLN A 10 11.533 -1.870 5.340 1.00 41.20 N flip ATOM 0 H GLN A 10 9.831 -1.655 9.514 1.00 61.21 H new ATOM 0 HA GLN A 10 8.749 0.484 7.975 1.00 62.41 H new ATOM 0 HB2 GLN A 10 8.881 -2.477 7.803 1.00 14.01 H new ATOM 0 HB3 GLN A 10 7.486 -1.762 7.019 1.00 14.01 H new ATOM 0 HG2 GLN A 10 8.989 -1.784 5.272 1.00 62.01 H new ATOM 0 HG3 GLN A 10 9.245 -0.166 5.894 1.00 62.01 H new ATOM 0 HE21 GLN A 10 11.104 -1.981 4.421 1.00 41.20 H new ATOM 0 HE22 GLN A 10 12.530 -2.047 5.462 1.00 41.20 H new ATOM 137 N ILE A 11 6.705 -1.170 9.981 1.00 74.41 N ATOM 138 CA ILE A 11 5.399 -1.110 10.647 1.00 35.52 C ATOM 139 C ILE A 11 5.210 0.248 11.341 1.00 62.22 C ATOM 140 O ILE A 11 4.140 0.854 11.265 1.00 43.13 O ATOM 141 CB ILE A 11 5.219 -2.259 11.684 1.00 4.00 C ATOM 142 CG1 ILE A 11 5.065 -3.628 10.985 1.00 65.22 C ATOM 143 CG2 ILE A 11 4.016 -1.989 12.591 1.00 63.24 C ATOM 144 CD1 ILE A 11 6.300 -4.106 10.243 1.00 23.25 C ATOM 0 H ILE A 11 7.326 -1.896 10.339 1.00 74.41 H new ATOM 0 HA ILE A 11 4.640 -1.233 9.874 1.00 35.52 H new ATOM 0 HB ILE A 11 6.119 -2.291 12.298 1.00 4.00 H new ATOM 0 HG12 ILE A 11 4.796 -4.374 11.733 1.00 65.22 H new ATOM 0 HG13 ILE A 11 4.235 -3.569 10.281 1.00 65.22 H new ATOM 0 HG21 ILE A 11 3.910 -2.804 13.307 1.00 63.24 H new ATOM 0 HG22 ILE A 11 4.168 -1.052 13.128 1.00 63.24 H new ATOM 0 HG23 ILE A 11 3.112 -1.918 11.985 1.00 63.24 H new ATOM 0 HD11 ILE A 11 6.097 -5.074 9.785 1.00 23.25 H new ATOM 0 HD12 ILE A 11 6.560 -3.385 9.468 1.00 23.25 H new ATOM 0 HD13 ILE A 11 7.130 -4.202 10.943 1.00 23.25 H new ATOM 156 N ARG A 12 6.267 0.731 11.998 1.00 4.31 N ATOM 157 CA ARG A 12 6.244 2.055 12.627 1.00 52.55 C ATOM 158 C ARG A 12 5.916 3.157 11.604 1.00 43.22 C ATOM 159 O ARG A 12 5.074 4.017 11.858 1.00 21.34 O ATOM 160 CB ARG A 12 7.589 2.351 13.313 1.00 1.02 C ATOM 161 CG ARG A 12 7.745 3.807 13.756 1.00 42.31 C ATOM 162 CD ARG A 12 9.056 4.051 14.501 1.00 13.14 C ATOM 163 NE ARG A 12 9.339 5.482 14.638 1.00 21.41 N ATOM 164 CZ ARG A 12 9.954 6.029 15.654 1.00 52.25 C ATOM 165 NH1 ARG A 12 10.297 5.324 16.687 1.00 24.32 N1+ ATOM 166 NH2 ARG A 12 10.198 7.297 15.639 1.00 13.11 N ATOM 0 H ARG A 12 7.147 0.228 12.109 1.00 4.31 H new ATOM 0 HA ARG A 12 5.457 2.049 13.381 1.00 52.55 H new ATOM 0 HB2 ARG A 12 7.694 1.702 14.183 1.00 1.02 H new ATOM 0 HB3 ARG A 12 8.399 2.100 12.628 1.00 1.02 H new ATOM 0 HG2 ARG A 12 7.700 4.457 12.882 1.00 42.31 H new ATOM 0 HG3 ARG A 12 6.908 4.080 14.399 1.00 42.31 H new ATOM 0 HD2 ARG A 12 9.005 3.593 15.489 1.00 13.14 H new ATOM 0 HD3 ARG A 12 9.874 3.567 13.968 1.00 13.14 H new ATOM 0 HE ARG A 12 9.033 6.098 13.884 1.00 21.41 H new ATOM 0 HH11 ARG A 12 10.088 4.326 16.716 1.00 24.32 H new ATOM 0 HH12 ARG A 12 10.776 5.767 17.471 1.00 24.32 H new ATOM 0 HH21 ARG A 12 9.912 7.862 14.840 1.00 13.11 H new ATOM 0 HH22 ARG A 12 10.677 7.733 16.427 1.00 13.11 H new ATOM 180 N ASP A 13 6.571 3.119 10.443 1.00 51.13 N ATOM 181 CA ASP A 13 6.309 4.101 9.384 1.00 22.40 C ATOM 182 C ASP A 13 4.829 4.078 8.961 1.00 35.03 C ATOM 183 O ASP A 13 4.181 5.126 8.863 1.00 40.11 O ATOM 184 CB ASP A 13 7.212 3.838 8.172 1.00 64.34 C ATOM 185 CG ASP A 13 6.960 4.828 7.044 1.00 1.41 C ATOM 186 OD1 ASP A 13 7.504 5.953 7.098 1.00 1.22 O ATOM 187 OD2 ASP A 13 6.202 4.494 6.112 1.00 0.12 O1- ATOM 0 H ASP A 13 7.282 2.425 10.211 1.00 51.13 H new ATOM 0 HA ASP A 13 6.534 5.091 9.781 1.00 22.40 H new ATOM 0 HB2 ASP A 13 8.256 3.897 8.479 1.00 64.34 H new ATOM 0 HB3 ASP A 13 7.044 2.824 7.808 1.00 64.34 H new ATOM 192 N ARG A 14 4.298 2.876 8.735 1.00 64.30 N ATOM 193 CA ARG A 14 2.889 2.712 8.364 1.00 4.33 C ATOM 194 C ARG A 14 1.952 3.174 9.489 1.00 11.32 C ATOM 195 O ARG A 14 0.850 3.654 9.232 1.00 54.30 O ATOM 196 CB ARG A 14 2.587 1.254 7.995 1.00 55.22 C ATOM 197 CG ARG A 14 3.380 0.739 6.796 1.00 43.15 C ATOM 198 CD ARG A 14 2.762 -0.532 6.223 1.00 72.45 C ATOM 199 NE ARG A 14 1.416 -0.285 5.704 1.00 1.31 N ATOM 200 CZ ARG A 14 0.548 -1.214 5.407 1.00 55.25 C ATOM 201 NH1 ARG A 14 0.827 -2.467 5.581 1.00 54.32 N1+ ATOM 202 NH2 ARG A 14 -0.608 -0.881 4.940 1.00 5.34 N ATOM 0 H ARG A 14 4.820 2.002 8.802 1.00 64.30 H new ATOM 0 HA ARG A 14 2.709 3.341 7.492 1.00 4.33 H new ATOM 0 HB2 ARG A 14 2.799 0.621 8.857 1.00 55.22 H new ATOM 0 HB3 ARG A 14 1.522 1.157 7.782 1.00 55.22 H new ATOM 0 HG2 ARG A 14 3.415 1.508 6.024 1.00 43.15 H new ATOM 0 HG3 ARG A 14 4.409 0.541 7.096 1.00 43.15 H new ATOM 0 HD2 ARG A 14 3.396 -0.919 5.425 1.00 72.45 H new ATOM 0 HD3 ARG A 14 2.720 -1.299 6.997 1.00 72.45 H new ATOM 0 HE ARG A 14 1.135 0.685 5.564 1.00 1.31 H new ATOM 0 HH11 ARG A 14 1.736 -2.740 5.955 1.00 54.32 H new ATOM 0 HH12 ARG A 14 0.138 -3.181 5.344 1.00 54.32 H new ATOM 0 HH21 ARG A 14 -0.839 0.103 4.805 1.00 5.34 H new ATOM 0 HH22 ARG A 14 -1.290 -1.602 4.706 1.00 5.34 H new ATOM 216 N LEU A 15 2.385 3.011 10.733 1.00 4.33 N ATOM 217 CA LEU A 15 1.611 3.485 11.883 1.00 33.32 C ATOM 218 C LEU A 15 1.501 5.022 11.880 1.00 21.32 C ATOM 219 O LEU A 15 0.412 5.578 12.026 1.00 73.32 O ATOM 220 CB LEU A 15 2.255 3.001 13.190 1.00 34.22 C ATOM 221 CG LEU A 15 1.488 3.352 14.477 1.00 4.12 C ATOM 222 CD1 LEU A 15 0.097 2.717 14.468 1.00 45.04 C ATOM 223 CD2 LEU A 15 2.278 2.917 15.712 1.00 64.14 C ATOM 0 H LEU A 15 3.265 2.556 10.975 1.00 4.33 H new ATOM 0 HA LEU A 15 0.605 3.073 11.809 1.00 33.32 H new ATOM 0 HB2 LEU A 15 2.368 1.918 13.139 1.00 34.22 H new ATOM 0 HB3 LEU A 15 3.257 3.423 13.259 1.00 34.22 H new ATOM 0 HG LEU A 15 1.365 4.434 14.517 1.00 4.12 H new ATOM 0 HD11 LEU A 15 -0.428 2.978 15.387 1.00 45.04 H new ATOM 0 HD12 LEU A 15 -0.466 3.086 13.611 1.00 45.04 H new ATOM 0 HD13 LEU A 15 0.192 1.633 14.400 1.00 45.04 H new ATOM 0 HD21 LEU A 15 1.718 3.174 16.611 1.00 64.14 H new ATOM 0 HD22 LEU A 15 2.438 1.839 15.680 1.00 64.14 H new ATOM 0 HD23 LEU A 15 3.241 3.427 15.726 1.00 64.14 H new ATOM 235 N LEU A 16 2.635 5.699 11.681 1.00 52.33 N ATOM 236 CA LEU A 16 2.687 7.172 11.709 1.00 73.34 C ATOM 237 C LEU A 16 1.780 7.831 10.649 1.00 14.41 C ATOM 238 O LEU A 16 1.249 8.914 10.882 1.00 21.32 O ATOM 239 CB LEU A 16 4.138 7.667 11.545 1.00 13.14 C ATOM 240 CG LEU A 16 4.940 7.825 12.852 1.00 64.43 C ATOM 241 CD1 LEU A 16 4.308 8.892 13.745 1.00 10.31 C ATOM 242 CD2 LEU A 16 5.048 6.496 13.598 1.00 63.02 C ATOM 0 H LEU A 16 3.534 5.254 11.498 1.00 52.33 H new ATOM 0 HA LEU A 16 2.305 7.473 12.684 1.00 73.34 H new ATOM 0 HB2 LEU A 16 4.669 6.971 10.896 1.00 13.14 H new ATOM 0 HB3 LEU A 16 4.119 8.629 11.033 1.00 13.14 H new ATOM 0 HG LEU A 16 5.948 8.145 12.589 1.00 64.43 H new ATOM 0 HD11 LEU A 16 4.888 8.989 14.663 1.00 10.31 H new ATOM 0 HD12 LEU A 16 4.298 9.847 13.220 1.00 10.31 H new ATOM 0 HD13 LEU A 16 3.286 8.602 13.991 1.00 10.31 H new ATOM 0 HD21 LEU A 16 5.619 6.639 14.515 1.00 63.02 H new ATOM 0 HD22 LEU A 16 4.050 6.135 13.845 1.00 63.02 H new ATOM 0 HD23 LEU A 16 5.553 5.764 12.967 1.00 63.02 H new ATOM 254 N GLN A 17 1.605 7.198 9.489 1.00 11.42 N ATOM 255 CA GLN A 17 0.724 7.758 8.446 1.00 34.32 C ATOM 256 C GLN A 17 -0.761 7.538 8.791 1.00 54.25 C ATOM 257 O GLN A 17 -1.652 8.120 8.168 1.00 51.30 O ATOM 258 CB GLN A 17 1.067 7.175 7.057 1.00 25.04 C ATOM 259 CG GLN A 17 0.910 5.659 6.927 1.00 40.11 C ATOM 260 CD GLN A 17 -0.521 5.209 6.665 1.00 42.02 C ATOM 261 OE1 GLN A 17 -0.871 4.038 7.151 1.00 4.14 O flip ATOM 262 NE2 GLN A 17 -1.309 5.911 6.039 1.00 2.10 N flip ATOM 0 H GLN A 17 2.049 6.313 9.244 1.00 11.42 H new ATOM 0 HA GLN A 17 0.897 8.833 8.408 1.00 34.32 H new ATOM 0 HB2 GLN A 17 0.431 7.655 6.313 1.00 25.04 H new ATOM 0 HB3 GLN A 17 2.096 7.439 6.815 1.00 25.04 H new ATOM 0 HG2 GLN A 17 1.546 5.306 6.116 1.00 40.11 H new ATOM 0 HG3 GLN A 17 1.268 5.186 7.842 1.00 40.11 H new ATOM 0 HE21 GLN A 17 -1.008 6.815 5.674 1.00 2.10 H new ATOM 0 HE22 GLN A 17 -2.265 5.591 5.883 1.00 2.10 H new ATOM 271 N ALA A 18 -1.015 6.697 9.791 1.00 41.33 N ATOM 272 CA ALA A 18 -2.378 6.402 10.247 1.00 44.33 C ATOM 273 C ALA A 18 -2.754 7.210 11.500 1.00 23.24 C ATOM 274 O ALA A 18 -3.933 7.298 11.858 1.00 65.32 O ATOM 275 CB ALA A 18 -2.509 4.911 10.530 1.00 71.04 C ATOM 0 H ALA A 18 -0.289 6.201 10.308 1.00 41.33 H new ATOM 0 HA ALA A 18 -3.066 6.692 9.453 1.00 44.33 H new ATOM 0 HB1 ALA A 18 -3.522 4.693 10.869 1.00 71.04 H new ATOM 0 HB2 ALA A 18 -2.301 4.348 9.620 1.00 71.04 H new ATOM 0 HB3 ALA A 18 -1.798 4.624 11.304 1.00 71.04 H new ATOM 281 N ILE A 19 -1.755 7.800 12.161 1.00 21.10 N ATOM 282 CA ILE A 19 -1.974 8.518 13.428 1.00 25.45 C ATOM 283 C ILE A 19 -1.259 9.883 13.469 1.00 13.21 C ATOM 284 O ILE A 19 -0.389 10.173 12.648 1.00 42.40 O ATOM 285 CB ILE A 19 -1.486 7.682 14.644 1.00 23.21 C ATOM 286 CG1 ILE A 19 0.040 7.487 14.591 1.00 74.33 C ATOM 287 CG2 ILE A 19 -2.205 6.333 14.701 1.00 0.44 C ATOM 288 CD1 ILE A 19 0.607 6.737 15.779 1.00 60.05 C ATOM 0 H ILE A 19 -0.786 7.797 11.844 1.00 21.10 H new ATOM 0 HA ILE A 19 -3.050 8.681 13.488 1.00 25.45 H new ATOM 0 HB ILE A 19 -1.728 8.231 15.554 1.00 23.21 H new ATOM 0 HG12 ILE A 19 0.296 6.948 13.679 1.00 74.33 H new ATOM 0 HG13 ILE A 19 0.519 8.464 14.529 1.00 74.33 H new ATOM 0 HG21 ILE A 19 -1.847 5.766 15.560 1.00 0.44 H new ATOM 0 HG22 ILE A 19 -3.278 6.497 14.796 1.00 0.44 H new ATOM 0 HG23 ILE A 19 -2.003 5.774 13.787 1.00 0.44 H new ATOM 0 HD11 ILE A 19 1.687 6.641 15.667 1.00 60.05 H new ATOM 0 HD12 ILE A 19 0.385 7.285 16.695 1.00 60.05 H new ATOM 0 HD13 ILE A 19 0.158 5.745 15.831 1.00 60.05 H new ATOM 300 N ASP A 20 -1.647 10.726 14.429 1.00 5.24 N ATOM 301 CA ASP A 20 -0.920 11.972 14.711 1.00 13.40 C ATOM 302 C ASP A 20 0.245 11.713 15.679 1.00 13.34 C ATOM 303 O ASP A 20 0.196 10.776 16.481 1.00 31.24 O ATOM 304 CB ASP A 20 -1.848 13.024 15.336 1.00 62.21 C ATOM 305 CG ASP A 20 -2.982 13.426 14.421 1.00 12.53 C ATOM 306 OD1 ASP A 20 -2.744 14.208 13.473 1.00 50.30 O ATOM 307 OD2 ASP A 20 -4.120 12.973 14.655 1.00 75.02 O1- ATOM 0 H ASP A 20 -2.460 10.571 15.025 1.00 5.24 H new ATOM 0 HA ASP A 20 -0.537 12.344 13.761 1.00 13.40 H new ATOM 0 HB2 ASP A 20 -2.260 12.631 16.266 1.00 62.21 H new ATOM 0 HB3 ASP A 20 -1.265 13.908 15.594 1.00 62.21 H new ATOM 312 N PRO A 21 1.302 12.553 15.644 1.00 74.34 N ATOM 313 CA PRO A 21 2.411 12.466 16.612 1.00 34.43 C ATOM 314 C PRO A 21 1.922 12.543 18.070 1.00 73.33 C ATOM 315 O PRO A 21 2.608 12.105 18.996 1.00 13.02 O ATOM 316 CB PRO A 21 3.288 13.678 16.258 1.00 62.31 C ATOM 317 CG PRO A 21 2.975 13.964 14.828 1.00 62.52 C ATOM 318 CD PRO A 21 1.519 13.628 14.654 1.00 21.22 C ATOM 0 HA PRO A 21 2.940 11.515 16.548 1.00 34.43 H new ATOM 0 HB2 PRO A 21 3.057 14.533 16.893 1.00 62.31 H new ATOM 0 HB3 PRO A 21 4.346 13.455 16.395 1.00 62.31 H new ATOM 0 HG2 PRO A 21 3.167 15.010 14.587 1.00 62.52 H new ATOM 0 HG3 PRO A 21 3.597 13.364 14.164 1.00 62.52 H new ATOM 0 HD2 PRO A 21 0.881 14.490 14.848 1.00 21.22 H new ATOM 0 HD3 PRO A 21 1.301 13.292 13.640 1.00 21.22 H new ATOM 326 N GLN A 22 0.720 13.093 18.256 1.00 72.51 N ATOM 327 CA GLN A 22 0.082 13.169 19.577 1.00 54.13 C ATOM 328 C GLN A 22 -0.701 11.881 19.917 1.00 23.23 C ATOM 329 O GLN A 22 -1.543 11.882 20.809 1.00 24.15 O ATOM 330 CB GLN A 22 -0.855 14.388 19.633 1.00 65.21 C ATOM 331 CG GLN A 22 -0.155 15.741 19.466 1.00 13.43 C ATOM 332 CD GLN A 22 0.499 16.278 20.743 1.00 24.00 C ATOM 333 OE1 GLN A 22 0.963 15.406 21.617 1.00 4.22 O flip ATOM 334 NE2 GLN A 22 0.584 17.484 20.943 1.00 63.35 N flip ATOM 0 H GLN A 22 0.163 13.496 17.503 1.00 72.51 H new ATOM 0 HA GLN A 22 0.871 13.277 20.321 1.00 54.13 H new ATOM 0 HB2 GLN A 22 -1.609 14.286 18.853 1.00 65.21 H new ATOM 0 HB3 GLN A 22 -1.381 14.382 20.588 1.00 65.21 H new ATOM 0 HG2 GLN A 22 0.608 15.648 18.693 1.00 13.43 H new ATOM 0 HG3 GLN A 22 -0.882 16.471 19.110 1.00 13.43 H new ATOM 0 HE21 GLN A 22 0.219 18.142 20.255 1.00 63.35 H new ATOM 0 HE22 GLN A 22 1.020 17.830 21.798 1.00 63.35 H new ATOM 343 N SER A 23 -0.403 10.787 19.204 1.00 54.15 N ATOM 344 CA SER A 23 -0.983 9.457 19.498 1.00 12.43 C ATOM 345 C SER A 23 -2.504 9.385 19.241 1.00 1.32 C ATOM 346 O SER A 23 -3.231 8.707 19.973 1.00 62.14 O ATOM 347 CB SER A 23 -0.693 9.061 20.960 1.00 73.54 C ATOM 348 OG SER A 23 0.702 9.076 21.242 1.00 65.41 O ATOM 0 H SER A 23 0.240 10.791 18.413 1.00 54.15 H new ATOM 0 HA SER A 23 -0.506 8.757 18.812 1.00 12.43 H new ATOM 0 HB2 SER A 23 -1.208 9.748 21.632 1.00 73.54 H new ATOM 0 HB3 SER A 23 -1.093 8.066 21.154 1.00 73.54 H new ATOM 0 HG SER A 23 0.865 9.594 22.058 1.00 65.41 H new ATOM 354 N ASN A 24 -2.977 10.042 18.178 1.00 74.33 N ATOM 355 CA ASN A 24 -4.412 10.017 17.820 1.00 2.23 C ATOM 356 C ASN A 24 -4.660 9.230 16.522 1.00 51.31 C ATOM 357 O ASN A 24 -3.912 9.365 15.557 1.00 63.40 O ATOM 358 CB ASN A 24 -4.952 11.442 17.657 1.00 71.34 C ATOM 359 CG ASN A 24 -4.678 12.304 18.872 1.00 61.33 C ATOM 360 OD1 ASN A 24 -3.580 13.029 18.840 1.00 40.24 O flip ATOM 361 ND2 ASN A 24 -5.450 12.327 19.823 1.00 64.05 N flip ATOM 0 H ASN A 24 -2.397 10.597 17.549 1.00 74.33 H new ATOM 0 HA ASN A 24 -4.937 9.517 18.634 1.00 2.23 H new ATOM 0 HB2 ASN A 24 -4.499 11.902 16.779 1.00 71.34 H new ATOM 0 HB3 ASN A 24 -6.026 11.403 17.477 1.00 71.34 H new ATOM 0 HD21 ASN A 24 -6.291 11.750 19.811 1.00 64.05 H new ATOM 0 HD22 ASN A 24 -5.251 12.923 20.627 1.00 64.05 H new ATOM 368 N ILE A 25 -5.725 8.425 16.496 1.00 32.02 N ATOM 369 CA ILE A 25 -6.057 7.602 15.319 1.00 41.31 C ATOM 370 C ILE A 25 -6.741 8.432 14.215 1.00 11.42 C ATOM 371 O ILE A 25 -7.887 8.861 14.367 1.00 43.21 O ATOM 372 CB ILE A 25 -6.989 6.422 15.709 1.00 54.32 C ATOM 373 CG1 ILE A 25 -6.346 5.554 16.809 1.00 73.02 C ATOM 374 CG2 ILE A 25 -7.333 5.574 14.483 1.00 15.22 C ATOM 375 CD1 ILE A 25 -5.040 4.901 16.400 1.00 25.00 C ATOM 0 H ILE A 25 -6.376 8.322 17.275 1.00 32.02 H new ATOM 0 HA ILE A 25 -5.114 7.213 14.935 1.00 41.31 H new ATOM 0 HB ILE A 25 -7.915 6.840 16.105 1.00 54.32 H new ATOM 0 HG12 ILE A 25 -6.170 6.173 17.689 1.00 73.02 H new ATOM 0 HG13 ILE A 25 -7.052 4.777 17.102 1.00 73.02 H new ATOM 0 HG21 ILE A 25 -7.986 4.754 14.780 1.00 15.22 H new ATOM 0 HG22 ILE A 25 -7.841 6.193 13.743 1.00 15.22 H new ATOM 0 HG23 ILE A 25 -6.417 5.170 14.051 1.00 15.22 H new ATOM 0 HD11 ILE A 25 -4.654 4.309 17.230 1.00 25.00 H new ATOM 0 HD12 ILE A 25 -5.211 4.253 15.540 1.00 25.00 H new ATOM 0 HD13 ILE A 25 -4.315 5.671 16.136 1.00 25.00 H new ATOM 387 N ARG A 26 -6.043 8.651 13.101 1.00 34.41 N ATOM 388 CA ARG A 26 -6.608 9.420 11.980 1.00 23.01 C ATOM 389 C ARG A 26 -7.280 8.511 10.944 1.00 43.13 C ATOM 390 O ARG A 26 -8.393 8.782 10.490 1.00 63.14 O ATOM 391 CB ARG A 26 -5.508 10.218 11.276 1.00 2.40 C ATOM 392 CG ARG A 26 -4.740 11.154 12.190 1.00 53.33 C ATOM 393 CD ARG A 26 -3.707 11.957 11.416 1.00 40.22 C ATOM 394 NE ARG A 26 -4.323 12.774 10.373 1.00 3.24 N ATOM 395 CZ ARG A 26 -3.936 13.978 10.062 1.00 61.24 C ATOM 396 NH1 ARG A 26 -3.012 14.572 10.748 1.00 34.51 N1+ ATOM 397 NH2 ARG A 26 -4.512 14.603 9.088 1.00 3.30 N ATOM 0 H ARG A 26 -5.093 8.312 12.946 1.00 34.41 H new ATOM 0 HA ARG A 26 -7.357 10.090 12.402 1.00 23.01 H new ATOM 0 HB2 ARG A 26 -4.807 9.522 10.815 1.00 2.40 H new ATOM 0 HB3 ARG A 26 -5.955 10.800 10.470 1.00 2.40 H new ATOM 0 HG2 ARG A 26 -5.434 11.832 12.686 1.00 53.33 H new ATOM 0 HG3 ARG A 26 -4.245 10.578 12.971 1.00 53.33 H new ATOM 0 HD2 ARG A 26 -3.157 12.600 12.103 1.00 40.22 H new ATOM 0 HD3 ARG A 26 -2.983 11.278 10.965 1.00 40.22 H new ATOM 0 HE ARG A 26 -5.106 12.376 9.855 1.00 3.24 H new ATOM 0 HH11 ARG A 26 -2.580 14.097 11.540 1.00 34.51 H new ATOM 0 HH12 ARG A 26 -2.716 15.515 10.496 1.00 34.51 H new ATOM 0 HH21 ARG A 26 -5.265 14.153 8.568 1.00 3.30 H new ATOM 0 HH22 ARG A 26 -4.213 15.546 8.840 1.00 3.30 H new ATOM 411 N ASN A 27 -6.604 7.422 10.598 1.00 30.04 N ATOM 412 CA ASN A 27 -7.073 6.517 9.543 1.00 12.44 C ATOM 413 C ASN A 27 -7.380 5.125 10.108 1.00 75.23 C ATOM 414 O ASN A 27 -6.467 4.336 10.355 1.00 34.22 O ATOM 415 CB ASN A 27 -6.011 6.408 8.439 1.00 10.33 C ATOM 416 CG ASN A 27 -5.648 7.754 7.835 1.00 51.13 C ATOM 417 OD1 ASN A 27 -6.471 8.658 7.751 1.00 41.13 O ATOM 418 ND2 ASN A 27 -4.408 7.904 7.412 1.00 22.23 N ATOM 0 H ASN A 27 -5.725 7.139 11.032 1.00 30.04 H new ATOM 0 HA ASN A 27 -7.992 6.927 9.125 1.00 12.44 H new ATOM 0 HB2 ASN A 27 -5.113 5.945 8.849 1.00 10.33 H new ATOM 0 HB3 ASN A 27 -6.378 5.749 7.652 1.00 10.33 H new ATOM 0 HD21 ASN A 27 -4.113 8.790 7.002 1.00 22.23 H new ATOM 0 HD22 ASN A 27 -3.744 7.134 7.495 1.00 22.23 H new ATOM 425 N MET A 28 -8.662 4.824 10.306 1.00 54.24 N ATOM 426 CA MET A 28 -9.078 3.533 10.865 1.00 3.32 C ATOM 427 C MET A 28 -8.603 2.368 9.985 1.00 34.12 C ATOM 428 O MET A 28 -7.955 1.442 10.467 1.00 14.12 O ATOM 429 CB MET A 28 -10.605 3.477 11.013 1.00 1.54 C ATOM 430 CG MET A 28 -11.107 2.197 11.677 1.00 14.42 C ATOM 431 SD MET A 28 -12.905 2.048 11.649 1.00 72.04 S ATOM 432 CE MET A 28 -13.203 1.932 9.886 1.00 21.02 C ATOM 0 H MET A 28 -9.433 5.455 10.088 1.00 54.24 H new ATOM 0 HA MET A 28 -8.618 3.436 11.848 1.00 3.32 H new ATOM 0 HB2 MET A 28 -10.937 4.335 11.598 1.00 1.54 H new ATOM 0 HB3 MET A 28 -11.061 3.568 10.027 1.00 1.54 H new ATOM 0 HG2 MET A 28 -10.669 1.336 11.172 1.00 14.42 H new ATOM 0 HG3 MET A 28 -10.762 2.171 12.710 1.00 14.42 H new ATOM 0 HE1 MET A 28 -14.160 1.441 9.710 1.00 21.02 H new ATOM 0 HE2 MET A 28 -13.224 2.932 9.454 1.00 21.02 H new ATOM 0 HE3 MET A 28 -12.407 1.352 9.420 1.00 21.02 H new ATOM 442 N VAL A 29 -8.913 2.432 8.691 1.00 51.03 N ATOM 443 CA VAL A 29 -8.543 1.368 7.752 1.00 34.53 C ATOM 444 C VAL A 29 -7.018 1.156 7.697 1.00 63.12 C ATOM 445 O VAL A 29 -6.543 0.021 7.680 1.00 45.01 O ATOM 446 CB VAL A 29 -9.090 1.660 6.330 1.00 63.51 C ATOM 447 CG1 VAL A 29 -8.523 2.963 5.771 1.00 54.33 C ATOM 448 CG2 VAL A 29 -8.807 0.492 5.387 1.00 65.03 C ATOM 0 H VAL A 29 -9.420 3.209 8.266 1.00 51.03 H new ATOM 0 HA VAL A 29 -8.999 0.449 8.121 1.00 34.53 H new ATOM 0 HB VAL A 29 -10.171 1.778 6.409 1.00 63.51 H new ATOM 0 HG11 VAL A 29 -8.927 3.137 4.774 1.00 54.33 H new ATOM 0 HG12 VAL A 29 -8.800 3.790 6.424 1.00 54.33 H new ATOM 0 HG13 VAL A 29 -7.437 2.893 5.715 1.00 54.33 H new ATOM 0 HG21 VAL A 29 -9.200 0.721 4.396 1.00 65.03 H new ATOM 0 HG22 VAL A 29 -7.731 0.329 5.322 1.00 65.03 H new ATOM 0 HG23 VAL A 29 -9.288 -0.409 5.769 1.00 65.03 H new ATOM 458 N ALA A 30 -6.258 2.251 7.695 1.00 11.10 N ATOM 459 CA ALA A 30 -4.793 2.174 7.694 1.00 65.51 C ATOM 460 C ALA A 30 -4.272 1.523 8.985 1.00 63.42 C ATOM 461 O ALA A 30 -3.343 0.716 8.959 1.00 53.30 O ATOM 462 CB ALA A 30 -4.191 3.560 7.518 1.00 62.45 C ATOM 0 H ALA A 30 -6.629 3.201 7.694 1.00 11.10 H new ATOM 0 HA ALA A 30 -4.488 1.549 6.855 1.00 65.51 H new ATOM 0 HB1 ALA A 30 -3.103 3.487 7.519 1.00 62.45 H new ATOM 0 HB2 ALA A 30 -4.525 3.984 6.571 1.00 62.45 H new ATOM 0 HB3 ALA A 30 -4.512 4.203 8.337 1.00 62.45 H new ATOM 468 N VAL A 31 -4.878 1.888 10.116 1.00 34.42 N ATOM 469 CA VAL A 31 -4.572 1.252 11.401 1.00 53.05 C ATOM 470 C VAL A 31 -4.881 -0.252 11.357 1.00 4.12 C ATOM 471 O VAL A 31 -4.081 -1.073 11.806 1.00 35.31 O ATOM 472 CB VAL A 31 -5.362 1.928 12.558 1.00 75.52 C ATOM 473 CG1 VAL A 31 -5.353 1.076 13.821 1.00 3.22 C ATOM 474 CG2 VAL A 31 -4.782 3.304 12.859 1.00 41.14 C ATOM 0 H VAL A 31 -5.585 2.622 10.169 1.00 34.42 H new ATOM 0 HA VAL A 31 -3.506 1.381 11.588 1.00 53.05 H new ATOM 0 HB VAL A 31 -6.396 2.033 12.231 1.00 75.52 H new ATOM 0 HG11 VAL A 31 -5.915 1.583 14.606 1.00 3.22 H new ATOM 0 HG12 VAL A 31 -5.812 0.110 13.611 1.00 3.22 H new ATOM 0 HG13 VAL A 31 -4.325 0.925 14.151 1.00 3.22 H new ATOM 0 HG21 VAL A 31 -5.344 3.766 13.671 1.00 41.14 H new ATOM 0 HG22 VAL A 31 -3.737 3.202 13.153 1.00 41.14 H new ATOM 0 HG23 VAL A 31 -4.849 3.930 11.969 1.00 41.14 H new ATOM 484 N LEU A 32 -6.033 -0.608 10.791 1.00 35.34 N ATOM 485 CA LEU A 32 -6.417 -2.016 10.633 1.00 0.31 C ATOM 486 C LEU A 32 -5.346 -2.798 9.858 1.00 55.41 C ATOM 487 O LEU A 32 -5.050 -3.949 10.183 1.00 20.02 O ATOM 488 CB LEU A 32 -7.776 -2.122 9.924 1.00 21.43 C ATOM 489 CG LEU A 32 -8.955 -1.473 10.674 1.00 25.11 C ATOM 490 CD1 LEU A 32 -10.235 -1.548 9.846 1.00 21.22 C ATOM 491 CD2 LEU A 32 -9.149 -2.128 12.042 1.00 71.04 C ATOM 0 H LEU A 32 -6.719 0.057 10.433 1.00 35.34 H new ATOM 0 HA LEU A 32 -6.503 -2.457 11.626 1.00 0.31 H new ATOM 0 HB2 LEU A 32 -7.692 -1.660 8.940 1.00 21.43 H new ATOM 0 HB3 LEU A 32 -8.003 -3.176 9.763 1.00 21.43 H new ATOM 0 HG LEU A 32 -8.720 -0.420 10.832 1.00 25.11 H new ATOM 0 HD11 LEU A 32 -11.053 -1.083 10.397 1.00 21.22 H new ATOM 0 HD12 LEU A 32 -10.089 -1.023 8.902 1.00 21.22 H new ATOM 0 HD13 LEU A 32 -10.479 -2.592 9.647 1.00 21.22 H new ATOM 0 HD21 LEU A 32 -9.986 -1.656 12.556 1.00 71.04 H new ATOM 0 HD22 LEU A 32 -9.356 -3.190 11.911 1.00 71.04 H new ATOM 0 HD23 LEU A 32 -8.243 -2.006 12.636 1.00 71.04 H new ATOM 503 N GLU A 33 -4.758 -2.159 8.844 1.00 53.54 N ATOM 504 CA GLU A 33 -3.636 -2.748 8.104 1.00 21.25 C ATOM 505 C GLU A 33 -2.436 -3.002 9.034 1.00 32.20 C ATOM 506 O GLU A 33 -1.820 -4.070 8.992 1.00 32.42 O ATOM 507 CB GLU A 33 -3.207 -1.833 6.946 1.00 54.41 C ATOM 508 CG GLU A 33 -4.286 -1.604 5.891 1.00 75.13 C ATOM 509 CD GLU A 33 -3.789 -0.764 4.723 1.00 73.45 C ATOM 510 OE1 GLU A 33 -4.014 0.466 4.719 1.00 44.11 O ATOM 511 OE2 GLU A 33 -3.144 -1.329 3.811 1.00 45.21 O1- ATOM 0 H GLU A 33 -5.039 -1.235 8.516 1.00 53.54 H new ATOM 0 HA GLU A 33 -3.973 -3.701 7.697 1.00 21.25 H new ATOM 0 HB2 GLU A 33 -2.904 -0.869 7.354 1.00 54.41 H new ATOM 0 HB3 GLU A 33 -2.330 -2.265 6.464 1.00 54.41 H new ATOM 0 HG2 GLU A 33 -4.636 -2.567 5.519 1.00 75.13 H new ATOM 0 HG3 GLU A 33 -5.141 -1.110 6.352 1.00 75.13 H new ATOM 518 N VAL A 34 -2.114 -2.015 9.875 1.00 1.43 N ATOM 519 CA VAL A 34 -1.009 -2.138 10.838 1.00 40.30 C ATOM 520 C VAL A 34 -1.241 -3.302 11.816 1.00 1.45 C ATOM 521 O VAL A 34 -0.374 -4.156 11.992 1.00 14.35 O ATOM 522 CB VAL A 34 -0.808 -0.828 11.647 1.00 42.50 C ATOM 523 CG1 VAL A 34 0.297 -0.990 12.695 1.00 62.14 C ATOM 524 CG2 VAL A 34 -0.497 0.336 10.710 1.00 64.42 C ATOM 0 H VAL A 34 -2.602 -1.120 9.911 1.00 1.43 H new ATOM 0 HA VAL A 34 -0.110 -2.336 10.254 1.00 40.30 H new ATOM 0 HB VAL A 34 -1.737 -0.610 12.173 1.00 42.50 H new ATOM 0 HG11 VAL A 34 0.415 -0.057 13.246 1.00 62.14 H new ATOM 0 HG12 VAL A 34 0.028 -1.788 13.387 1.00 62.14 H new ATOM 0 HG13 VAL A 34 1.235 -1.240 12.199 1.00 62.14 H new ATOM 0 HG21 VAL A 34 -0.359 1.246 11.294 1.00 64.42 H new ATOM 0 HG22 VAL A 34 0.415 0.121 10.153 1.00 64.42 H new ATOM 0 HG23 VAL A 34 -1.324 0.473 10.014 1.00 64.42 H new ATOM 534 N ILE A 35 -2.419 -3.341 12.435 1.00 75.35 N ATOM 535 CA ILE A 35 -2.766 -4.426 13.361 1.00 14.22 C ATOM 536 C ILE A 35 -2.731 -5.793 12.651 1.00 70.53 C ATOM 537 O ILE A 35 -2.196 -6.767 13.184 1.00 72.32 O ATOM 538 CB ILE A 35 -4.160 -4.194 14.023 1.00 42.13 C ATOM 539 CG1 ILE A 35 -4.080 -3.113 15.128 1.00 20.44 C ATOM 540 CG2 ILE A 35 -4.727 -5.497 14.593 1.00 41.03 C ATOM 541 CD1 ILE A 35 -3.695 -1.736 14.638 1.00 70.21 C ATOM 0 H ILE A 35 -3.149 -2.639 12.315 1.00 75.35 H new ATOM 0 HA ILE A 35 -2.015 -4.427 14.151 1.00 14.22 H new ATOM 0 HB ILE A 35 -4.836 -3.840 13.245 1.00 42.13 H new ATOM 0 HG12 ILE A 35 -5.048 -3.049 15.626 1.00 20.44 H new ATOM 0 HG13 ILE A 35 -3.356 -3.432 15.878 1.00 20.44 H new ATOM 0 HG21 ILE A 35 -5.699 -5.303 15.047 1.00 41.03 H new ATOM 0 HG22 ILE A 35 -4.841 -6.226 13.791 1.00 41.03 H new ATOM 0 HG23 ILE A 35 -4.046 -5.891 15.347 1.00 41.03 H new ATOM 0 HD11 ILE A 35 -3.664 -1.045 15.481 1.00 70.21 H new ATOM 0 HD12 ILE A 35 -2.713 -1.779 14.168 1.00 70.21 H new ATOM 0 HD13 ILE A 35 -4.430 -1.390 13.912 1.00 70.21 H new ATOM 553 N SER A 36 -3.274 -5.849 11.433 1.00 12.42 N ATOM 554 CA SER A 36 -3.264 -7.086 10.634 1.00 41.42 C ATOM 555 C SER A 36 -1.828 -7.542 10.328 1.00 43.32 C ATOM 556 O SER A 36 -1.508 -8.730 10.421 1.00 33.11 O ATOM 557 CB SER A 36 -4.036 -6.891 9.320 1.00 75.15 C ATOM 558 OG SER A 36 -4.122 -8.104 8.585 1.00 33.24 O ATOM 0 H SER A 36 -3.726 -5.057 10.976 1.00 12.42 H new ATOM 0 HA SER A 36 -3.754 -7.860 11.225 1.00 41.42 H new ATOM 0 HB2 SER A 36 -5.039 -6.523 9.537 1.00 75.15 H new ATOM 0 HB3 SER A 36 -3.541 -6.131 8.715 1.00 75.15 H new ATOM 0 HG SER A 36 -4.620 -7.949 7.755 1.00 33.24 H new ATOM 564 N SER A 37 -0.960 -6.591 9.964 1.00 45.35 N ATOM 565 CA SER A 37 0.458 -6.892 9.714 1.00 40.11 C ATOM 566 C SER A 37 1.170 -7.307 11.009 1.00 13.14 C ATOM 567 O SER A 37 2.039 -8.171 10.989 1.00 73.01 O ATOM 568 CB SER A 37 1.188 -5.699 9.061 1.00 20.43 C ATOM 569 OG SER A 37 1.197 -4.543 9.889 1.00 72.23 O ATOM 0 H SER A 37 -1.211 -5.611 9.836 1.00 45.35 H new ATOM 0 HA SER A 37 0.490 -7.728 9.016 1.00 40.11 H new ATOM 0 HB2 SER A 37 2.215 -5.986 8.834 1.00 20.43 H new ATOM 0 HB3 SER A 37 0.707 -5.458 8.113 1.00 20.43 H new ATOM 0 HG SER A 37 0.525 -4.641 10.595 1.00 72.23 H new ATOM 575 N LEU A 38 0.787 -6.692 12.132 1.00 52.44 N ATOM 576 CA LEU A 38 1.357 -7.037 13.446 1.00 74.13 C ATOM 577 C LEU A 38 1.077 -8.502 13.819 1.00 51.44 C ATOM 578 O LEU A 38 1.885 -9.146 14.491 1.00 61.14 O ATOM 579 CB LEU A 38 0.799 -6.103 14.534 1.00 41.42 C ATOM 580 CG LEU A 38 1.328 -4.661 14.505 1.00 63.34 C ATOM 581 CD1 LEU A 38 0.620 -3.803 15.552 1.00 24.24 C ATOM 582 CD2 LEU A 38 2.840 -4.641 14.726 1.00 32.25 C ATOM 0 H LEU A 38 0.085 -5.952 12.162 1.00 52.44 H new ATOM 0 HA LEU A 38 2.437 -6.908 13.379 1.00 74.13 H new ATOM 0 HB2 LEU A 38 -0.287 -6.075 14.442 1.00 41.42 H new ATOM 0 HB3 LEU A 38 1.025 -6.535 15.509 1.00 41.42 H new ATOM 0 HG LEU A 38 1.118 -4.240 13.522 1.00 63.34 H new ATOM 0 HD11 LEU A 38 1.010 -2.786 15.514 1.00 24.24 H new ATOM 0 HD12 LEU A 38 -0.451 -3.789 15.347 1.00 24.24 H new ATOM 0 HD13 LEU A 38 0.794 -4.221 16.543 1.00 24.24 H new ATOM 0 HD21 LEU A 38 3.198 -3.612 14.702 1.00 32.25 H new ATOM 0 HD22 LEU A 38 3.072 -5.084 15.695 1.00 32.25 H new ATOM 0 HD23 LEU A 38 3.330 -5.214 13.939 1.00 32.25 H new ATOM 594 N GLU A 39 -0.076 -9.018 13.391 1.00 11.54 N ATOM 595 CA GLU A 39 -0.418 -10.431 13.597 1.00 13.43 C ATOM 596 C GLU A 39 0.589 -11.355 12.890 1.00 32.33 C ATOM 597 O GLU A 39 0.960 -12.408 13.409 1.00 13.05 O ATOM 598 CB GLU A 39 -1.832 -10.720 13.069 1.00 44.54 C ATOM 599 CG GLU A 39 -2.936 -9.921 13.753 1.00 54.50 C ATOM 600 CD GLU A 39 -4.312 -10.260 13.201 1.00 32.53 C ATOM 601 OE1 GLU A 39 -4.821 -9.515 12.339 1.00 63.14 O ATOM 602 OE2 GLU A 39 -4.882 -11.294 13.610 1.00 21.30 O1- ATOM 0 H GLU A 39 -0.790 -8.481 12.899 1.00 11.54 H new ATOM 0 HA GLU A 39 -0.381 -10.628 14.668 1.00 13.43 H new ATOM 0 HB2 GLU A 39 -1.857 -10.510 12.000 1.00 44.54 H new ATOM 0 HB3 GLU A 39 -2.041 -11.783 13.190 1.00 44.54 H new ATOM 0 HG2 GLU A 39 -2.916 -10.120 14.825 1.00 54.50 H new ATOM 0 HG3 GLU A 39 -2.746 -8.856 13.623 1.00 54.50 H new ATOM 609 N LYS A 40 1.029 -10.944 11.703 1.00 53.53 N ATOM 610 CA LYS A 40 1.942 -11.751 10.883 1.00 14.34 C ATOM 611 C LYS A 40 3.414 -11.350 11.093 1.00 12.53 C ATOM 612 O LYS A 40 4.327 -12.123 10.794 1.00 52.41 O ATOM 613 CB LYS A 40 1.553 -11.604 9.404 1.00 1.40 C ATOM 614 CG LYS A 40 0.104 -12.000 9.121 1.00 33.12 C ATOM 615 CD LYS A 40 -0.316 -11.697 7.683 1.00 31.14 C ATOM 616 CE LYS A 40 -1.775 -12.074 7.434 1.00 71.32 C ATOM 617 NZ LYS A 40 -2.235 -11.686 6.074 1.00 53.44 N1+ ATOM 0 H LYS A 40 0.769 -10.052 11.282 1.00 53.53 H new ATOM 0 HA LYS A 40 1.849 -12.792 11.191 1.00 14.34 H new ATOM 0 HB2 LYS A 40 1.707 -10.570 9.095 1.00 1.40 H new ATOM 0 HB3 LYS A 40 2.217 -12.220 8.797 1.00 1.40 H new ATOM 0 HG2 LYS A 40 -0.023 -13.065 9.316 1.00 33.12 H new ATOM 0 HG3 LYS A 40 -0.555 -11.469 9.808 1.00 33.12 H new ATOM 0 HD2 LYS A 40 -0.173 -10.636 7.477 1.00 31.14 H new ATOM 0 HD3 LYS A 40 0.325 -12.245 6.993 1.00 31.14 H new ATOM 0 HE2 LYS A 40 -1.897 -13.149 7.563 1.00 71.32 H new ATOM 0 HE3 LYS A 40 -2.405 -11.590 8.180 1.00 71.32 H new ATOM 0 HZ1 LYS A 40 -3.230 -11.962 5.952 1.00 53.44 H new ATOM 0 HZ2 LYS A 40 -2.145 -10.657 5.958 1.00 53.44 H new ATOM 0 HZ3 LYS A 40 -1.652 -12.168 5.360 1.00 53.44 H new ATOM 631 N TYR A 41 3.633 -10.147 11.620 1.00 41.11 N ATOM 632 CA TYR A 41 4.983 -9.626 11.883 1.00 14.40 C ATOM 633 C TYR A 41 5.059 -8.982 13.278 1.00 54.21 C ATOM 634 O TYR A 41 4.825 -7.781 13.433 1.00 41.43 O ATOM 635 CB TYR A 41 5.387 -8.592 10.818 1.00 54.44 C ATOM 636 CG TYR A 41 5.409 -9.135 9.401 1.00 31.30 C ATOM 637 CD1 TYR A 41 6.506 -9.844 8.926 1.00 34.14 C ATOM 638 CD2 TYR A 41 4.333 -8.937 8.539 1.00 71.42 C ATOM 639 CE1 TYR A 41 6.532 -10.339 7.635 1.00 52.43 C ATOM 640 CE2 TYR A 41 4.353 -9.430 7.249 1.00 55.23 C ATOM 641 CZ TYR A 41 5.454 -10.130 6.801 1.00 20.42 C ATOM 642 OH TYR A 41 5.478 -10.622 5.513 1.00 64.45 O ATOM 0 H TYR A 41 2.885 -9.503 11.878 1.00 41.11 H new ATOM 0 HA TYR A 41 5.675 -10.467 11.842 1.00 14.40 H new ATOM 0 HB2 TYR A 41 4.694 -7.752 10.862 1.00 54.44 H new ATOM 0 HB3 TYR A 41 6.376 -8.203 11.062 1.00 54.44 H new ATOM 0 HD1 TYR A 41 7.352 -10.011 9.576 1.00 34.14 H new ATOM 0 HD2 TYR A 41 3.469 -8.389 8.885 1.00 71.42 H new ATOM 0 HE1 TYR A 41 7.393 -10.887 7.282 1.00 52.43 H new ATOM 0 HE2 TYR A 41 3.510 -9.268 6.594 1.00 55.23 H new ATOM 0 HH TYR A 41 4.642 -10.389 5.058 1.00 64.45 H new ATOM 652 N PRO A 42 5.361 -9.776 14.320 1.00 31.44 N ATOM 653 CA PRO A 42 5.485 -9.265 15.695 1.00 52.55 C ATOM 654 C PRO A 42 6.742 -8.403 15.896 1.00 52.34 C ATOM 655 O PRO A 42 7.794 -8.669 15.305 1.00 35.31 O ATOM 656 CB PRO A 42 5.562 -10.543 16.557 1.00 23.34 C ATOM 657 CG PRO A 42 5.192 -11.668 15.642 1.00 3.51 C ATOM 658 CD PRO A 42 5.591 -11.226 14.262 1.00 41.10 C ATOM 0 HA PRO A 42 4.652 -8.612 15.955 1.00 52.55 H new ATOM 0 HB2 PRO A 42 6.564 -10.682 16.964 1.00 23.34 H new ATOM 0 HB3 PRO A 42 4.879 -10.486 17.404 1.00 23.34 H new ATOM 0 HG2 PRO A 42 5.709 -12.586 15.923 1.00 3.51 H new ATOM 0 HG3 PRO A 42 4.123 -11.876 15.692 1.00 3.51 H new ATOM 0 HD2 PRO A 42 6.632 -11.464 14.044 1.00 41.10 H new ATOM 0 HD3 PRO A 42 4.986 -11.703 13.491 1.00 41.10 H new ATOM 666 N ILE A 43 6.632 -7.373 16.737 1.00 73.02 N ATOM 667 CA ILE A 43 7.770 -6.500 17.040 1.00 63.44 C ATOM 668 C ILE A 43 8.847 -7.268 17.824 1.00 50.22 C ATOM 669 O ILE A 43 8.577 -7.818 18.894 1.00 21.42 O ATOM 670 CB ILE A 43 7.332 -5.251 17.850 1.00 42.54 C ATOM 671 CG1 ILE A 43 6.168 -4.524 17.151 1.00 31.24 C ATOM 672 CG2 ILE A 43 8.509 -4.299 18.053 1.00 61.00 C ATOM 673 CD1 ILE A 43 6.484 -4.034 15.751 1.00 53.53 C ATOM 0 H ILE A 43 5.769 -7.122 17.220 1.00 73.02 H new ATOM 0 HA ILE A 43 8.183 -6.165 16.088 1.00 63.44 H new ATOM 0 HB ILE A 43 6.987 -5.588 18.828 1.00 42.54 H new ATOM 0 HG12 ILE A 43 5.312 -5.197 17.102 1.00 31.24 H new ATOM 0 HG13 ILE A 43 5.869 -3.672 17.762 1.00 31.24 H new ATOM 0 HG21 ILE A 43 8.180 -3.430 18.623 1.00 61.00 H new ATOM 0 HG22 ILE A 43 9.302 -4.812 18.598 1.00 61.00 H new ATOM 0 HG23 ILE A 43 8.886 -3.975 17.083 1.00 61.00 H new ATOM 0 HD11 ILE A 43 5.609 -3.535 15.334 1.00 53.53 H new ATOM 0 HD12 ILE A 43 7.318 -3.333 15.790 1.00 53.53 H new ATOM 0 HD13 ILE A 43 6.752 -4.882 15.121 1.00 53.53 H new ATOM 685 N THR A 44 10.063 -7.305 17.287 1.00 31.54 N ATOM 686 CA THR A 44 11.146 -8.103 17.879 1.00 3.51 C ATOM 687 C THR A 44 11.668 -7.474 19.192 1.00 41.44 C ATOM 688 O THR A 44 11.508 -6.274 19.424 1.00 70.20 O ATOM 689 CB THR A 44 12.306 -8.294 16.867 1.00 60.00 C ATOM 690 OG1 THR A 44 11.775 -8.669 15.583 1.00 43.25 O ATOM 691 CG2 THR A 44 13.280 -9.375 17.329 1.00 30.33 C ATOM 0 H THR A 44 10.329 -6.795 16.445 1.00 31.54 H new ATOM 0 HA THR A 44 10.733 -9.082 18.123 1.00 3.51 H new ATOM 0 HB THR A 44 12.842 -7.347 16.797 1.00 60.00 H new ATOM 0 HG1 THR A 44 12.511 -8.787 14.946 1.00 43.25 H new ATOM 0 HG21 THR A 44 14.080 -9.482 16.596 1.00 30.33 H new ATOM 0 HG22 THR A 44 13.706 -9.094 18.292 1.00 30.33 H new ATOM 0 HG23 THR A 44 12.751 -10.323 17.429 1.00 30.33 H new ATOM 699 N LYS A 45 12.322 -8.290 20.025 1.00 13.34 N ATOM 700 CA LYS A 45 12.616 -7.938 21.427 1.00 34.04 C ATOM 701 C LYS A 45 13.391 -6.611 21.601 1.00 52.50 C ATOM 702 O LYS A 45 13.023 -5.779 22.439 1.00 53.12 O ATOM 703 CB LYS A 45 13.405 -9.091 22.066 1.00 20.23 C ATOM 704 CG LYS A 45 13.830 -8.845 23.510 1.00 23.33 C ATOM 705 CD LYS A 45 14.583 -10.040 24.094 1.00 33.53 C ATOM 706 CE LYS A 45 15.813 -10.402 23.264 1.00 13.41 C ATOM 707 NZ LYS A 45 16.609 -11.494 23.886 1.00 33.51 N1+ ATOM 0 H LYS A 45 12.664 -9.212 19.752 1.00 13.34 H new ATOM 0 HA LYS A 45 11.658 -7.784 21.923 1.00 34.04 H new ATOM 0 HB2 LYS A 45 12.797 -9.995 22.029 1.00 20.23 H new ATOM 0 HB3 LYS A 45 14.295 -9.281 21.466 1.00 20.23 H new ATOM 0 HG2 LYS A 45 14.463 -7.959 23.556 1.00 23.33 H new ATOM 0 HG3 LYS A 45 12.949 -8.639 24.118 1.00 23.33 H new ATOM 0 HD2 LYS A 45 14.889 -9.812 25.115 1.00 33.53 H new ATOM 0 HD3 LYS A 45 13.915 -10.900 24.146 1.00 33.53 H new ATOM 0 HE2 LYS A 45 15.499 -10.707 22.266 1.00 13.41 H new ATOM 0 HE3 LYS A 45 16.441 -9.519 23.145 1.00 13.41 H new ATOM 0 HZ1 LYS A 45 17.433 -11.706 23.289 1.00 33.51 H new ATOM 0 HZ2 LYS A 45 16.932 -11.195 24.828 1.00 33.51 H new ATOM 0 HZ3 LYS A 45 16.019 -12.346 23.977 1.00 33.51 H new ATOM 721 N GLU A 46 14.454 -6.407 20.827 1.00 13.12 N ATOM 722 CA GLU A 46 15.251 -5.171 20.928 1.00 10.31 C ATOM 723 C GLU A 46 14.473 -3.954 20.394 1.00 62.21 C ATOM 724 O GLU A 46 14.611 -2.838 20.903 1.00 63.30 O ATOM 725 CB GLU A 46 16.604 -5.304 20.198 1.00 11.35 C ATOM 726 CG GLU A 46 16.522 -5.305 18.671 1.00 53.13 C ATOM 727 CD GLU A 46 15.850 -6.544 18.104 1.00 51.41 C ATOM 728 OE1 GLU A 46 16.569 -7.465 17.656 1.00 5.11 O ATOM 729 OE2 GLU A 46 14.609 -6.604 18.113 1.00 72.12 O1- ATOM 0 H GLU A 46 14.787 -7.070 20.127 1.00 13.12 H new ATOM 0 HA GLU A 46 15.453 -5.011 21.987 1.00 10.31 H new ATOM 0 HB2 GLU A 46 17.250 -4.483 20.511 1.00 11.35 H new ATOM 0 HB3 GLU A 46 17.084 -6.228 20.521 1.00 11.35 H new ATOM 0 HG2 GLU A 46 15.974 -4.421 18.343 1.00 53.13 H new ATOM 0 HG3 GLU A 46 17.529 -5.226 18.260 1.00 53.13 H new ATOM 736 N ALA A 47 13.644 -4.188 19.373 1.00 72.32 N ATOM 737 CA ALA A 47 12.928 -3.115 18.672 1.00 1.43 C ATOM 738 C ALA A 47 12.041 -2.276 19.610 1.00 13.32 C ATOM 739 O ALA A 47 11.910 -1.065 19.419 1.00 2.44 O ATOM 740 CB ALA A 47 12.092 -3.699 17.536 1.00 3.04 C ATOM 0 H ALA A 47 13.450 -5.121 19.009 1.00 72.32 H new ATOM 0 HA ALA A 47 13.682 -2.441 18.266 1.00 1.43 H new ATOM 0 HB1 ALA A 47 11.565 -2.895 17.022 1.00 3.04 H new ATOM 0 HB2 ALA A 47 12.745 -4.214 16.831 1.00 3.04 H new ATOM 0 HB3 ALA A 47 11.369 -4.406 17.943 1.00 3.04 H new ATOM 746 N LEU A 48 11.441 -2.904 20.625 1.00 40.34 N ATOM 747 CA LEU A 48 10.604 -2.164 21.585 1.00 42.22 C ATOM 748 C LEU A 48 11.410 -1.069 22.302 1.00 54.34 C ATOM 749 O LEU A 48 10.943 0.061 22.447 1.00 63.32 O ATOM 750 CB LEU A 48 9.971 -3.096 22.635 1.00 42.12 C ATOM 751 CG LEU A 48 8.858 -4.032 22.126 1.00 43.34 C ATOM 752 CD1 LEU A 48 9.437 -5.216 21.359 1.00 24.02 C ATOM 753 CD2 LEU A 48 7.986 -4.511 23.284 1.00 45.15 C ATOM 0 H LEU A 48 11.514 -3.905 20.805 1.00 40.34 H new ATOM 0 HA LEU A 48 9.806 -1.701 21.004 1.00 42.22 H new ATOM 0 HB2 LEU A 48 10.761 -3.707 23.072 1.00 42.12 H new ATOM 0 HB3 LEU A 48 9.563 -2.482 23.438 1.00 42.12 H new ATOM 0 HG LEU A 48 8.233 -3.464 21.437 1.00 43.34 H new ATOM 0 HD11 LEU A 48 8.626 -5.857 21.013 1.00 24.02 H new ATOM 0 HD12 LEU A 48 10.003 -4.852 20.501 1.00 24.02 H new ATOM 0 HD13 LEU A 48 10.096 -5.786 22.013 1.00 24.02 H new ATOM 0 HD21 LEU A 48 7.206 -5.171 22.904 1.00 45.15 H new ATOM 0 HD22 LEU A 48 8.601 -5.053 24.003 1.00 45.15 H new ATOM 0 HD23 LEU A 48 7.527 -3.652 23.774 1.00 45.15 H new ATOM 765 N GLU A 49 12.615 -1.415 22.749 1.00 62.54 N ATOM 766 CA GLU A 49 13.503 -0.456 23.421 1.00 52.23 C ATOM 767 C GLU A 49 14.080 0.573 22.431 1.00 52.32 C ATOM 768 O GLU A 49 14.096 1.778 22.695 1.00 12.31 O ATOM 769 CB GLU A 49 14.655 -1.201 24.109 1.00 20.12 C ATOM 770 CG GLU A 49 15.584 -0.299 24.922 1.00 10.44 C ATOM 771 CD GLU A 49 16.832 -1.025 25.403 1.00 71.13 C ATOM 772 OE1 GLU A 49 17.919 -0.793 24.833 1.00 4.40 O ATOM 773 OE2 GLU A 49 16.732 -1.848 26.344 1.00 72.10 O1- ATOM 0 H GLU A 49 13.004 -2.354 22.660 1.00 62.54 H new ATOM 0 HA GLU A 49 12.910 0.079 24.163 1.00 52.23 H new ATOM 0 HB2 GLU A 49 14.239 -1.963 24.767 1.00 20.12 H new ATOM 0 HB3 GLU A 49 15.242 -1.720 23.351 1.00 20.12 H new ATOM 0 HG2 GLU A 49 15.878 0.556 24.314 1.00 10.44 H new ATOM 0 HG3 GLU A 49 15.042 0.093 25.783 1.00 10.44 H new ATOM 780 N GLU A 50 14.554 0.079 21.288 1.00 10.23 N ATOM 781 CA GLU A 50 15.239 0.915 20.292 1.00 74.44 C ATOM 782 C GLU A 50 14.297 1.922 19.606 1.00 12.35 C ATOM 783 O GLU A 50 14.554 3.127 19.605 1.00 64.13 O ATOM 784 CB GLU A 50 15.884 0.015 19.227 1.00 45.12 C ATOM 785 CG GLU A 50 16.570 0.781 18.100 1.00 75.10 C ATOM 786 CD GLU A 50 17.116 -0.135 17.018 1.00 23.14 C ATOM 787 OE1 GLU A 50 18.310 -0.499 17.082 1.00 13.54 O ATOM 788 OE2 GLU A 50 16.356 -0.496 16.095 1.00 54.01 O1- ATOM 0 H GLU A 50 14.477 -0.903 21.024 1.00 10.23 H new ATOM 0 HA GLU A 50 15.997 1.492 20.823 1.00 74.44 H new ATOM 0 HB2 GLU A 50 16.615 -0.634 19.709 1.00 45.12 H new ATOM 0 HB3 GLU A 50 15.117 -0.631 18.799 1.00 45.12 H new ATOM 0 HG2 GLU A 50 15.860 1.479 17.656 1.00 75.10 H new ATOM 0 HG3 GLU A 50 17.385 1.375 18.513 1.00 75.10 H new ATOM 795 N THR A 51 13.205 1.427 19.030 1.00 75.42 N ATOM 796 CA THR A 51 12.283 2.275 18.255 1.00 10.23 C ATOM 797 C THR A 51 11.023 2.643 19.053 1.00 64.42 C ATOM 798 O THR A 51 10.117 3.291 18.527 1.00 1.31 O ATOM 799 CB THR A 51 11.866 1.589 16.930 1.00 13.13 C ATOM 800 OG1 THR A 51 11.252 0.324 17.203 1.00 14.41 O ATOM 801 CG2 THR A 51 13.071 1.380 16.014 1.00 34.13 C ATOM 0 H THR A 51 12.931 0.446 19.081 1.00 75.42 H new ATOM 0 HA THR A 51 12.828 3.192 18.031 1.00 10.23 H new ATOM 0 HB THR A 51 11.154 2.242 16.425 1.00 13.13 H new ATOM 0 HG1 THR A 51 11.333 0.120 18.158 1.00 14.41 H new ATOM 0 HG21 THR A 51 12.748 0.897 15.092 1.00 34.13 H new ATOM 0 HG22 THR A 51 13.521 2.344 15.780 1.00 34.13 H new ATOM 0 HG23 THR A 51 13.805 0.749 16.516 1.00 34.13 H new ATOM 809 N ARG A 52 10.978 2.221 20.321 1.00 12.45 N ATOM 810 CA ARG A 52 9.892 2.588 21.248 1.00 0.03 C ATOM 811 C ARG A 52 8.517 2.043 20.825 1.00 20.30 C ATOM 812 O ARG A 52 7.484 2.593 21.203 1.00 44.42 O ATOM 813 CB ARG A 52 9.840 4.116 21.436 1.00 61.35 C ATOM 814 CG ARG A 52 11.050 4.670 22.185 1.00 75.43 C ATOM 815 CD ARG A 52 11.123 4.133 23.612 1.00 31.43 C ATOM 816 NE ARG A 52 12.416 4.397 24.235 1.00 22.30 N ATOM 817 CZ ARG A 52 12.711 4.091 25.470 1.00 64.33 C ATOM 818 NH1 ARG A 52 11.811 3.610 26.265 1.00 45.41 N1+ ATOM 819 NH2 ARG A 52 13.911 4.282 25.912 1.00 21.14 N ATOM 0 H ARG A 52 11.688 1.618 20.736 1.00 12.45 H new ATOM 0 HA ARG A 52 10.125 2.114 22.201 1.00 0.03 H new ATOM 0 HB2 ARG A 52 9.775 4.594 20.459 1.00 61.35 H new ATOM 0 HB3 ARG A 52 8.932 4.378 21.980 1.00 61.35 H new ATOM 0 HG2 ARG A 52 11.962 4.406 21.649 1.00 75.43 H new ATOM 0 HG3 ARG A 52 10.997 5.758 22.208 1.00 75.43 H new ATOM 0 HD2 ARG A 52 10.334 4.588 24.210 1.00 31.43 H new ATOM 0 HD3 ARG A 52 10.938 3.059 23.604 1.00 31.43 H new ATOM 0 HE ARG A 52 13.135 4.849 23.670 1.00 22.30 H new ATOM 0 HH11 ARG A 52 10.859 3.466 25.929 1.00 45.41 H new ATOM 0 HH12 ARG A 52 12.054 3.375 27.227 1.00 45.41 H new ATOM 0 HH21 ARG A 52 14.625 4.671 25.297 1.00 21.14 H new ATOM 0 HH22 ARG A 52 14.143 4.044 26.876 1.00 21.14 H new ATOM 833 N LEU A 53 8.500 0.932 20.088 1.00 20.22 N ATOM 834 CA LEU A 53 7.234 0.258 19.747 1.00 74.33 C ATOM 835 C LEU A 53 6.503 -0.257 21.005 1.00 71.11 C ATOM 836 O LEU A 53 5.352 -0.685 20.933 1.00 44.23 O ATOM 837 CB LEU A 53 7.475 -0.890 18.752 1.00 44.30 C ATOM 838 CG LEU A 53 7.306 -0.523 17.264 1.00 51.23 C ATOM 839 CD1 LEU A 53 5.844 -0.205 16.946 1.00 13.50 C ATOM 840 CD2 LEU A 53 8.203 0.654 16.883 1.00 51.04 C ATOM 0 H LEU A 53 9.335 0.479 19.716 1.00 20.22 H new ATOM 0 HA LEU A 53 6.590 0.998 19.272 1.00 74.33 H new ATOM 0 HB2 LEU A 53 8.485 -1.272 18.902 1.00 44.30 H new ATOM 0 HB3 LEU A 53 6.788 -1.703 18.988 1.00 44.30 H new ATOM 0 HG LEU A 53 7.608 -1.386 16.672 1.00 51.23 H new ATOM 0 HD11 LEU A 53 5.749 0.051 15.891 1.00 13.50 H new ATOM 0 HD12 LEU A 53 5.226 -1.076 17.165 1.00 13.50 H new ATOM 0 HD13 LEU A 53 5.514 0.637 17.555 1.00 13.50 H new ATOM 0 HD21 LEU A 53 8.063 0.891 15.828 1.00 51.04 H new ATOM 0 HD22 LEU A 53 7.941 1.522 17.488 1.00 51.04 H new ATOM 0 HD23 LEU A 53 9.245 0.389 17.060 1.00 51.04 H new ATOM 852 N GLY A 54 7.179 -0.203 22.158 1.00 32.34 N ATOM 853 CA GLY A 54 6.519 -0.469 23.436 1.00 44.11 C ATOM 854 C GLY A 54 5.362 0.495 23.687 1.00 3.31 C ATOM 855 O GLY A 54 4.369 0.148 24.325 1.00 3.40 O ATOM 0 H GLY A 54 8.172 0.020 22.230 1.00 32.34 H new ATOM 0 HA2 GLY A 54 6.148 -1.494 23.447 1.00 44.11 H new ATOM 0 HA3 GLY A 54 7.245 -0.384 24.245 1.00 44.11 H new ATOM 859 N LYS A 55 5.503 1.714 23.170 1.00 41.25 N ATOM 860 CA LYS A 55 4.452 2.736 23.231 1.00 74.44 C ATOM 861 C LYS A 55 3.142 2.233 22.590 1.00 21.04 C ATOM 862 O LYS A 55 2.051 2.486 23.104 1.00 60.34 O ATOM 863 CB LYS A 55 4.975 4.006 22.522 1.00 52.04 C ATOM 864 CG LYS A 55 3.914 4.964 21.980 1.00 12.10 C ATOM 865 CD LYS A 55 3.053 5.592 23.073 1.00 25.52 C ATOM 866 CE LYS A 55 2.174 6.702 22.502 1.00 31.00 C ATOM 867 NZ LYS A 55 1.102 7.112 23.444 1.00 51.24 N1+ ATOM 0 H LYS A 55 6.350 2.025 22.695 1.00 41.25 H new ATOM 0 HA LYS A 55 4.219 2.964 24.271 1.00 74.44 H new ATOM 0 HB2 LYS A 55 5.605 4.554 23.222 1.00 52.04 H new ATOM 0 HB3 LYS A 55 5.613 3.697 21.694 1.00 52.04 H new ATOM 0 HG2 LYS A 55 4.405 5.756 21.414 1.00 12.10 H new ATOM 0 HG3 LYS A 55 3.270 4.426 21.284 1.00 12.10 H new ATOM 0 HD2 LYS A 55 2.427 4.827 23.533 1.00 25.52 H new ATOM 0 HD3 LYS A 55 3.692 5.996 23.858 1.00 25.52 H new ATOM 0 HE2 LYS A 55 2.794 7.566 22.262 1.00 31.00 H new ATOM 0 HE3 LYS A 55 1.725 6.363 21.569 1.00 31.00 H new ATOM 0 HZ1 LYS A 55 0.542 7.879 23.020 1.00 51.24 H new ATOM 0 HZ2 LYS A 55 0.483 6.299 23.641 1.00 51.24 H new ATOM 0 HZ3 LYS A 55 1.529 7.445 24.332 1.00 51.24 H new ATOM 881 N LEU A 56 3.268 1.479 21.498 1.00 53.21 N ATOM 882 CA LEU A 56 2.108 0.930 20.779 1.00 55.23 C ATOM 883 C LEU A 56 1.227 0.065 21.703 1.00 62.15 C ATOM 884 O LEU A 56 0.002 0.057 21.576 1.00 73.51 O ATOM 885 CB LEU A 56 2.600 0.117 19.562 1.00 52.55 C ATOM 886 CG LEU A 56 1.515 -0.395 18.582 1.00 43.32 C ATOM 887 CD1 LEU A 56 2.114 -0.634 17.196 1.00 1.24 C ATOM 888 CD2 LEU A 56 0.859 -1.682 19.089 1.00 71.51 C ATOM 0 H LEU A 56 4.167 1.230 21.086 1.00 53.21 H new ATOM 0 HA LEU A 56 1.488 1.757 20.432 1.00 55.23 H new ATOM 0 HB2 LEU A 56 3.301 0.735 19.001 1.00 52.55 H new ATOM 0 HB3 LEU A 56 3.158 -0.743 19.931 1.00 52.55 H new ATOM 0 HG LEU A 56 0.747 0.376 18.516 1.00 43.32 H new ATOM 0 HD11 LEU A 56 1.337 -0.993 16.521 1.00 1.24 H new ATOM 0 HD12 LEU A 56 2.525 0.299 16.812 1.00 1.24 H new ATOM 0 HD13 LEU A 56 2.907 -1.379 17.266 1.00 1.24 H new ATOM 0 HD21 LEU A 56 0.103 -2.011 18.375 1.00 71.51 H new ATOM 0 HD22 LEU A 56 1.617 -2.458 19.199 1.00 71.51 H new ATOM 0 HD23 LEU A 56 0.389 -1.495 20.055 1.00 71.51 H new ATOM 900 N ILE A 57 1.860 -0.633 22.647 1.00 40.25 N ATOM 901 CA ILE A 57 1.158 -1.572 23.538 1.00 11.55 C ATOM 902 C ILE A 57 0.039 -0.886 24.344 1.00 65.14 C ATOM 903 O ILE A 57 -1.061 -1.423 24.479 1.00 73.52 O ATOM 904 CB ILE A 57 2.151 -2.247 24.519 1.00 43.33 C ATOM 905 CG1 ILE A 57 3.250 -2.988 23.737 1.00 2.04 C ATOM 906 CG2 ILE A 57 1.418 -3.200 25.470 1.00 55.42 C ATOM 907 CD1 ILE A 57 4.291 -3.650 24.617 1.00 42.32 C ATOM 0 H ILE A 57 2.863 -0.568 22.819 1.00 40.25 H new ATOM 0 HA ILE A 57 0.703 -2.326 22.896 1.00 11.55 H new ATOM 0 HB ILE A 57 2.621 -1.471 25.124 1.00 43.33 H new ATOM 0 HG12 ILE A 57 2.785 -3.747 23.107 1.00 2.04 H new ATOM 0 HG13 ILE A 57 3.747 -2.282 23.071 1.00 2.04 H new ATOM 0 HG21 ILE A 57 2.136 -3.661 26.148 1.00 55.42 H new ATOM 0 HG22 ILE A 57 0.680 -2.642 26.047 1.00 55.42 H new ATOM 0 HG23 ILE A 57 0.915 -3.975 24.892 1.00 55.42 H new ATOM 0 HD11 ILE A 57 5.030 -4.151 23.992 1.00 42.32 H new ATOM 0 HD12 ILE A 57 4.785 -2.894 25.228 1.00 42.32 H new ATOM 0 HD13 ILE A 57 3.808 -4.382 25.265 1.00 42.32 H new ATOM 919 N ASN A 58 0.320 0.302 24.869 1.00 11.23 N ATOM 920 CA ASN A 58 -0.681 1.060 25.632 1.00 4.13 C ATOM 921 C ASN A 58 -1.789 1.589 24.714 1.00 61.51 C ATOM 922 O ASN A 58 -2.977 1.493 25.026 1.00 45.15 O ATOM 923 CB ASN A 58 -0.029 2.241 26.351 1.00 65.43 C ATOM 924 CG ASN A 58 1.173 1.826 27.167 1.00 11.22 C ATOM 925 OD1 ASN A 58 1.056 1.461 28.332 1.00 14.35 O ATOM 926 ND2 ASN A 58 2.340 1.886 26.562 1.00 5.41 N ATOM 0 H ASN A 58 1.226 0.764 24.784 1.00 11.23 H new ATOM 0 HA ASN A 58 -1.116 0.380 26.364 1.00 4.13 H new ATOM 0 HB2 ASN A 58 0.274 2.988 25.617 1.00 65.43 H new ATOM 0 HB3 ASN A 58 -0.762 2.715 27.004 1.00 65.43 H new ATOM 0 HD21 ASN A 58 3.189 1.624 27.064 1.00 5.41 H new ATOM 0 HD22 ASN A 58 2.396 2.195 25.592 1.00 5.41 H new ATOM 933 N ASP A 59 -1.384 2.143 23.578 1.00 73.14 N ATOM 934 CA ASP A 59 -2.312 2.784 22.651 1.00 73.12 C ATOM 935 C ASP A 59 -3.290 1.789 22.004 1.00 44.20 C ATOM 936 O ASP A 59 -4.474 2.091 21.862 1.00 65.15 O ATOM 937 CB ASP A 59 -1.525 3.547 21.588 1.00 41.22 C ATOM 938 CG ASP A 59 -0.820 4.754 22.181 1.00 64.30 C ATOM 939 OD1 ASP A 59 -0.078 4.589 23.171 1.00 41.05 O ATOM 940 OD2 ASP A 59 -1.020 5.874 21.675 1.00 65.01 O1- ATOM 0 H ASP A 59 -0.411 2.162 23.274 1.00 73.14 H new ATOM 0 HA ASP A 59 -2.924 3.481 23.224 1.00 73.12 H new ATOM 0 HB2 ASP A 59 -0.791 2.884 21.130 1.00 41.22 H new ATOM 0 HB3 ASP A 59 -2.200 3.871 20.796 1.00 41.22 H new ATOM 945 N VAL A 60 -2.803 0.612 21.611 1.00 62.20 N ATOM 946 CA VAL A 60 -3.682 -0.430 21.059 1.00 63.21 C ATOM 947 C VAL A 60 -4.642 -0.958 22.141 1.00 42.23 C ATOM 948 O VAL A 60 -5.774 -1.337 21.859 1.00 52.45 O ATOM 949 CB VAL A 60 -2.870 -1.608 20.451 1.00 11.34 C ATOM 950 CG1 VAL A 60 -2.080 -2.350 21.526 1.00 54.22 C ATOM 951 CG2 VAL A 60 -3.786 -2.565 19.684 1.00 1.51 C ATOM 0 H VAL A 60 -1.818 0.354 21.662 1.00 62.20 H new ATOM 0 HA VAL A 60 -4.262 0.028 20.257 1.00 63.21 H new ATOM 0 HB VAL A 60 -2.153 -1.188 19.745 1.00 11.34 H new ATOM 0 HG11 VAL A 60 -1.523 -3.168 21.069 1.00 54.22 H new ATOM 0 HG12 VAL A 60 -1.385 -1.662 22.007 1.00 54.22 H new ATOM 0 HG13 VAL A 60 -2.767 -2.751 22.271 1.00 54.22 H new ATOM 0 HG21 VAL A 60 -3.194 -3.380 19.268 1.00 1.51 H new ATOM 0 HG22 VAL A 60 -4.537 -2.971 20.361 1.00 1.51 H new ATOM 0 HG23 VAL A 60 -4.280 -2.026 18.875 1.00 1.51 H new ATOM 961 N ARG A 61 -4.169 -0.959 23.383 1.00 52.50 N ATOM 962 CA ARG A 61 -4.971 -1.372 24.539 1.00 44.32 C ATOM 963 C ARG A 61 -6.095 -0.363 24.849 1.00 51.40 C ATOM 964 O ARG A 61 -7.232 -0.748 25.133 1.00 22.41 O ATOM 965 CB ARG A 61 -4.040 -1.529 25.751 1.00 13.54 C ATOM 966 CG ARG A 61 -4.745 -1.780 27.081 1.00 41.44 C ATOM 967 CD ARG A 61 -3.741 -1.894 28.228 1.00 73.10 C ATOM 968 NE ARG A 61 -4.394 -2.020 29.529 1.00 32.42 N ATOM 969 CZ ARG A 61 -3.757 -2.187 30.659 1.00 62.34 C ATOM 970 NH1 ARG A 61 -2.465 -2.254 30.683 1.00 10.11 N1+ ATOM 971 NH2 ARG A 61 -4.417 -2.280 31.765 1.00 21.45 N ATOM 0 H ARG A 61 -3.219 -0.674 23.621 1.00 52.50 H new ATOM 0 HA ARG A 61 -5.454 -2.322 24.309 1.00 44.32 H new ATOM 0 HB2 ARG A 61 -3.355 -2.355 25.559 1.00 13.54 H new ATOM 0 HB3 ARG A 61 -3.434 -0.628 25.843 1.00 13.54 H new ATOM 0 HG2 ARG A 61 -5.442 -0.967 27.285 1.00 41.44 H new ATOM 0 HG3 ARG A 61 -5.333 -2.696 27.017 1.00 41.44 H new ATOM 0 HD2 ARG A 61 -3.099 -2.759 28.061 1.00 73.10 H new ATOM 0 HD3 ARG A 61 -3.096 -1.015 28.232 1.00 73.10 H new ATOM 0 HE ARG A 61 -5.413 -1.975 29.558 1.00 32.42 H new ATOM 0 HH11 ARG A 61 -1.934 -2.176 29.816 1.00 10.11 H new ATOM 0 HH12 ARG A 61 -1.977 -2.384 31.569 1.00 10.11 H new ATOM 0 HH21 ARG A 61 -5.435 -2.223 31.757 1.00 21.45 H new ATOM 0 HH22 ARG A 61 -3.920 -2.410 32.646 1.00 21.45 H new ATOM 985 N LYS A 62 -5.769 0.927 24.784 1.00 61.02 N ATOM 986 CA LYS A 62 -6.709 1.992 25.167 1.00 22.12 C ATOM 987 C LYS A 62 -7.616 2.419 23.989 1.00 22.24 C ATOM 988 O LYS A 62 -8.791 2.740 24.182 1.00 65.42 O ATOM 989 CB LYS A 62 -5.900 3.198 25.700 1.00 15.00 C ATOM 990 CG LYS A 62 -6.694 4.205 26.544 1.00 31.43 C ATOM 991 CD LYS A 62 -7.573 5.126 25.699 1.00 11.31 C ATOM 992 CE LYS A 62 -8.351 6.111 26.564 1.00 43.13 C ATOM 993 NZ LYS A 62 -9.283 6.952 25.764 1.00 23.12 N1+ ATOM 0 H LYS A 62 -4.860 1.266 24.469 1.00 61.02 H new ATOM 0 HA LYS A 62 -7.370 1.611 25.945 1.00 22.12 H new ATOM 0 HB2 LYS A 62 -5.072 2.821 26.300 1.00 15.00 H new ATOM 0 HB3 LYS A 62 -5.465 3.725 24.851 1.00 15.00 H new ATOM 0 HG2 LYS A 62 -7.320 3.663 27.253 1.00 31.43 H new ATOM 0 HG3 LYS A 62 -6.000 4.809 27.128 1.00 31.43 H new ATOM 0 HD2 LYS A 62 -6.951 5.675 24.992 1.00 11.31 H new ATOM 0 HD3 LYS A 62 -8.270 4.527 25.113 1.00 11.31 H new ATOM 0 HE2 LYS A 62 -8.916 5.562 27.317 1.00 43.13 H new ATOM 0 HE3 LYS A 62 -7.651 6.755 27.097 1.00 43.13 H new ATOM 0 HZ1 LYS A 62 -9.789 7.606 26.395 1.00 23.12 H new ATOM 0 HZ2 LYS A 62 -8.743 7.497 25.062 1.00 23.12 H new ATOM 0 HZ3 LYS A 62 -9.969 6.342 25.275 1.00 23.12 H new ATOM 1007 N LYS A 63 -7.071 2.409 22.773 1.00 64.50 N ATOM 1008 CA LYS A 63 -7.789 2.906 21.582 1.00 24.45 C ATOM 1009 C LYS A 63 -8.291 1.775 20.659 1.00 15.13 C ATOM 1010 O LYS A 63 -8.620 2.023 19.498 1.00 62.51 O ATOM 1011 CB LYS A 63 -6.902 3.879 20.784 1.00 34.32 C ATOM 1012 CG LYS A 63 -6.656 5.218 21.483 1.00 70.25 C ATOM 1013 CD LYS A 63 -6.014 6.238 20.541 1.00 31.30 C ATOM 1014 CE LYS A 63 -4.567 5.889 20.207 1.00 20.40 C ATOM 1015 NZ LYS A 63 -3.634 6.285 21.294 1.00 11.35 N1+ ATOM 0 H LYS A 63 -6.132 2.062 22.578 1.00 64.50 H new ATOM 0 HA LYS A 63 -8.671 3.429 21.953 1.00 24.45 H new ATOM 0 HB2 LYS A 63 -5.942 3.401 20.589 1.00 34.32 H new ATOM 0 HB3 LYS A 63 -7.367 4.067 19.816 1.00 34.32 H new ATOM 0 HG2 LYS A 63 -7.601 5.612 21.857 1.00 70.25 H new ATOM 0 HG3 LYS A 63 -6.010 5.064 22.348 1.00 70.25 H new ATOM 0 HD2 LYS A 63 -6.594 6.293 19.620 1.00 31.30 H new ATOM 0 HD3 LYS A 63 -6.050 7.226 21.000 1.00 31.30 H new ATOM 0 HE2 LYS A 63 -4.484 4.817 20.031 1.00 20.40 H new ATOM 0 HE3 LYS A 63 -4.278 6.387 19.282 1.00 20.40 H new ATOM 0 HZ1 LYS A 63 -2.685 5.911 21.090 1.00 11.35 H new ATOM 0 HZ2 LYS A 63 -3.592 7.322 21.355 1.00 11.35 H new ATOM 0 HZ3 LYS A 63 -3.971 5.899 22.199 1.00 11.35 H new ATOM 1029 N THR A 64 -8.355 0.546 21.169 1.00 24.22 N ATOM 1030 CA THR A 64 -8.764 -0.614 20.349 1.00 65.40 C ATOM 1031 C THR A 64 -10.211 -0.501 19.832 1.00 14.34 C ATOM 1032 O THR A 64 -11.050 0.190 20.420 1.00 3.23 O ATOM 1033 CB THR A 64 -8.637 -1.948 21.127 1.00 54.53 C ATOM 1034 OG1 THR A 64 -9.041 -3.049 20.295 1.00 54.24 O ATOM 1035 CG2 THR A 64 -9.484 -1.929 22.398 1.00 2.55 C ATOM 0 H THR A 64 -8.132 0.319 22.138 1.00 24.22 H new ATOM 0 HA THR A 64 -8.081 -0.611 19.500 1.00 65.40 H new ATOM 0 HB THR A 64 -7.592 -2.071 21.410 1.00 54.53 H new ATOM 0 HG1 THR A 64 -9.108 -3.862 20.838 1.00 54.24 H new ATOM 0 HG21 THR A 64 -9.374 -2.878 22.922 1.00 2.55 H new ATOM 0 HG22 THR A 64 -9.152 -1.117 23.045 1.00 2.55 H new ATOM 0 HG23 THR A 64 -10.531 -1.778 22.135 1.00 2.55 H new ATOM 1043 N LYS A 65 -10.488 -1.209 18.732 1.00 54.30 N ATOM 1044 CA LYS A 65 -11.809 -1.192 18.081 1.00 52.20 C ATOM 1045 C LYS A 65 -12.936 -1.583 19.055 1.00 41.15 C ATOM 1046 O LYS A 65 -13.907 -0.845 19.232 1.00 44.04 O ATOM 1047 CB LYS A 65 -11.811 -2.152 16.878 1.00 0.25 C ATOM 1048 CG LYS A 65 -13.161 -2.259 16.169 1.00 34.10 C ATOM 1049 CD LYS A 65 -13.161 -3.342 15.086 1.00 62.13 C ATOM 1050 CE LYS A 65 -12.209 -3.017 13.938 1.00 22.44 C ATOM 1051 NZ LYS A 65 -12.223 -4.075 12.890 1.00 42.34 N1+ ATOM 0 H LYS A 65 -9.807 -1.809 18.266 1.00 54.30 H new ATOM 0 HA LYS A 65 -11.997 -0.172 17.745 1.00 52.20 H new ATOM 0 HB2 LYS A 65 -11.061 -1.820 16.160 1.00 0.25 H new ATOM 0 HB3 LYS A 65 -11.511 -3.143 17.217 1.00 0.25 H new ATOM 0 HG2 LYS A 65 -13.938 -2.480 16.901 1.00 34.10 H new ATOM 0 HG3 LYS A 65 -13.411 -1.298 15.719 1.00 34.10 H new ATOM 0 HD2 LYS A 65 -12.878 -4.296 15.530 1.00 62.13 H new ATOM 0 HD3 LYS A 65 -14.171 -3.460 14.694 1.00 62.13 H new ATOM 0 HE2 LYS A 65 -12.489 -2.062 13.494 1.00 22.44 H new ATOM 0 HE3 LYS A 65 -11.197 -2.904 14.326 1.00 22.44 H new ATOM 0 HZ1 LYS A 65 -11.564 -3.818 12.128 1.00 42.34 H new ATOM 0 HZ2 LYS A 65 -11.932 -4.982 13.308 1.00 42.34 H new ATOM 0 HZ3 LYS A 65 -13.183 -4.166 12.501 1.00 42.34 H new ATOM 1065 N ASN A 66 -12.805 -2.756 19.670 1.00 64.21 N ATOM 1066 CA ASN A 66 -13.812 -3.259 20.610 1.00 73.21 C ATOM 1067 C ASN A 66 -13.184 -3.592 21.972 1.00 73.35 C ATOM 1068 O ASN A 66 -12.127 -4.217 22.043 1.00 2.22 O ATOM 1069 CB ASN A 66 -14.511 -4.498 20.023 1.00 11.53 C ATOM 1070 CG ASN A 66 -15.547 -5.097 20.961 1.00 70.32 C ATOM 1071 OD1 ASN A 66 -16.100 -4.416 21.821 1.00 2.13 O ATOM 1072 ND2 ASN A 66 -15.825 -6.375 20.801 1.00 55.44 N ATOM 0 H ASN A 66 -12.010 -3.380 19.536 1.00 64.21 H new ATOM 0 HA ASN A 66 -14.553 -2.475 20.767 1.00 73.21 H new ATOM 0 HB2 ASN A 66 -14.994 -4.225 19.084 1.00 11.53 H new ATOM 0 HB3 ASN A 66 -13.762 -5.254 19.788 1.00 11.53 H new ATOM 0 HD21 ASN A 66 -16.517 -6.825 21.400 1.00 55.44 H new ATOM 0 HD22 ASN A 66 -15.349 -6.914 20.078 1.00 55.44 H new ATOM 1079 N GLU A 67 -13.852 -3.178 23.046 1.00 75.51 N ATOM 1080 CA GLU A 67 -13.384 -3.437 24.414 1.00 44.43 C ATOM 1081 C GLU A 67 -13.124 -4.937 24.645 1.00 3.32 C ATOM 1082 O GLU A 67 -12.139 -5.323 25.277 1.00 62.13 O ATOM 1083 CB GLU A 67 -14.426 -2.919 25.414 1.00 14.43 C ATOM 1084 CG GLU A 67 -14.023 -3.063 26.876 1.00 31.42 C ATOM 1085 CD GLU A 67 -15.135 -2.647 27.825 1.00 62.42 C ATOM 1086 OE1 GLU A 67 -15.252 -1.439 28.126 1.00 24.33 O ATOM 1087 OE2 GLU A 67 -15.906 -3.528 28.261 1.00 72.34 O1- ATOM 0 H GLU A 67 -14.727 -2.657 22.998 1.00 75.51 H new ATOM 0 HA GLU A 67 -12.440 -2.913 24.562 1.00 44.43 H new ATOM 0 HB2 GLU A 67 -14.620 -1.867 25.205 1.00 14.43 H new ATOM 0 HB3 GLU A 67 -15.362 -3.454 25.254 1.00 14.43 H new ATOM 0 HG2 GLU A 67 -13.748 -4.099 27.074 1.00 31.42 H new ATOM 0 HG3 GLU A 67 -13.138 -2.456 27.068 1.00 31.42 H new ATOM 1094 N GLU A 68 -14.009 -5.776 24.107 1.00 73.43 N ATOM 1095 CA GLU A 68 -13.869 -7.236 24.209 1.00 62.51 C ATOM 1096 C GLU A 68 -12.624 -7.734 23.453 1.00 51.24 C ATOM 1097 O GLU A 68 -11.961 -8.686 23.871 1.00 43.12 O ATOM 1098 CB GLU A 68 -15.118 -7.919 23.641 1.00 2.25 C ATOM 1099 CG GLU A 68 -16.425 -7.429 24.253 1.00 1.03 C ATOM 1100 CD GLU A 68 -17.645 -8.043 23.588 1.00 33.13 C ATOM 1101 OE1 GLU A 68 -18.021 -7.579 22.486 1.00 53.52 O ATOM 1102 OE2 GLU A 68 -18.228 -8.990 24.156 1.00 64.22 O1- ATOM 0 H GLU A 68 -14.836 -5.472 23.593 1.00 73.43 H new ATOM 0 HA GLU A 68 -13.754 -7.489 25.263 1.00 62.51 H new ATOM 0 HB2 GLU A 68 -15.150 -7.757 22.564 1.00 2.25 H new ATOM 0 HB3 GLU A 68 -15.035 -8.994 23.799 1.00 2.25 H new ATOM 0 HG2 GLU A 68 -16.436 -7.667 25.317 1.00 1.03 H new ATOM 0 HG3 GLU A 68 -16.477 -6.343 24.169 1.00 1.03 H new ATOM 1109 N LEU A 69 -12.307 -7.065 22.346 1.00 60.53 N ATOM 1110 CA LEU A 69 -11.159 -7.427 21.505 1.00 63.31 C ATOM 1111 C LEU A 69 -9.847 -7.324 22.306 1.00 42.52 C ATOM 1112 O LEU A 69 -8.942 -8.143 22.142 1.00 2.42 O ATOM 1113 CB LEU A 69 -11.130 -6.513 20.256 1.00 63.33 C ATOM 1114 CG LEU A 69 -10.216 -6.952 19.088 1.00 4.44 C ATOM 1115 CD1 LEU A 69 -10.639 -6.260 17.793 1.00 12.23 C ATOM 1116 CD2 LEU A 69 -8.746 -6.649 19.378 1.00 64.11 C ATOM 0 H LEU A 69 -12.833 -6.260 22.005 1.00 60.53 H new ATOM 0 HA LEU A 69 -11.260 -8.462 21.178 1.00 63.31 H new ATOM 0 HB2 LEU A 69 -12.148 -6.426 19.876 1.00 63.33 H new ATOM 0 HB3 LEU A 69 -10.821 -5.517 20.572 1.00 63.33 H new ATOM 0 HG LEU A 69 -10.324 -8.031 18.976 1.00 4.44 H new ATOM 0 HD11 LEU A 69 -9.987 -6.579 16.980 1.00 12.23 H new ATOM 0 HD12 LEU A 69 -11.669 -6.527 17.557 1.00 12.23 H new ATOM 0 HD13 LEU A 69 -10.563 -5.180 17.916 1.00 12.23 H new ATOM 0 HD21 LEU A 69 -8.135 -6.971 18.535 1.00 64.11 H new ATOM 0 HD22 LEU A 69 -8.618 -5.577 19.530 1.00 64.11 H new ATOM 0 HD23 LEU A 69 -8.435 -7.182 20.276 1.00 64.11 H new ATOM 1128 N ALA A 70 -9.771 -6.330 23.196 1.00 30.52 N ATOM 1129 CA ALA A 70 -8.572 -6.097 24.017 1.00 62.21 C ATOM 1130 C ALA A 70 -8.174 -7.338 24.839 1.00 75.13 C ATOM 1131 O ALA A 70 -6.987 -7.601 25.048 1.00 21.30 O ATOM 1132 CB ALA A 70 -8.796 -4.902 24.938 1.00 44.45 C ATOM 0 H ALA A 70 -10.528 -5.669 23.369 1.00 30.52 H new ATOM 0 HA ALA A 70 -7.747 -5.885 23.337 1.00 62.21 H new ATOM 0 HB1 ALA A 70 -7.904 -4.736 25.542 1.00 44.45 H new ATOM 0 HB2 ALA A 70 -8.999 -4.014 24.339 1.00 44.45 H new ATOM 0 HB3 ALA A 70 -9.645 -5.101 25.592 1.00 44.45 H new ATOM 1138 N LYS A 71 -9.168 -8.107 25.296 1.00 32.03 N ATOM 1139 CA LYS A 71 -8.901 -9.335 26.063 1.00 71.35 C ATOM 1140 C LYS A 71 -8.091 -10.333 25.218 1.00 24.24 C ATOM 1141 O LYS A 71 -7.120 -10.930 25.688 1.00 72.33 O ATOM 1142 CB LYS A 71 -10.215 -10.009 26.515 1.00 34.20 C ATOM 1143 CG LYS A 71 -11.024 -9.250 27.574 1.00 0.22 C ATOM 1144 CD LYS A 71 -11.549 -7.909 27.065 1.00 50.11 C ATOM 1145 CE LYS A 71 -12.687 -7.368 27.928 1.00 52.32 C ATOM 1146 NZ LYS A 71 -12.305 -7.238 29.358 1.00 54.34 N1+ ATOM 0 H LYS A 71 -10.157 -7.906 25.151 1.00 32.03 H new ATOM 0 HA LYS A 71 -8.328 -9.050 26.945 1.00 71.35 H new ATOM 0 HB2 LYS A 71 -10.846 -10.155 25.639 1.00 34.20 H new ATOM 0 HB3 LYS A 71 -9.978 -10.998 26.906 1.00 34.20 H new ATOM 0 HG2 LYS A 71 -11.864 -9.866 27.894 1.00 0.22 H new ATOM 0 HG3 LYS A 71 -10.399 -9.082 28.451 1.00 0.22 H new ATOM 0 HD2 LYS A 71 -10.734 -7.185 27.047 1.00 50.11 H new ATOM 0 HD3 LYS A 71 -11.897 -8.023 26.038 1.00 50.11 H new ATOM 0 HE2 LYS A 71 -12.996 -6.394 27.548 1.00 52.32 H new ATOM 0 HE3 LYS A 71 -13.549 -8.030 27.844 1.00 52.32 H new ATOM 0 HZ1 LYS A 71 -13.059 -6.743 29.875 1.00 54.34 H new ATOM 0 HZ2 LYS A 71 -12.167 -8.184 29.768 1.00 54.34 H new ATOM 0 HZ3 LYS A 71 -11.421 -6.696 29.433 1.00 54.34 H new ATOM 1160 N ARG A 72 -8.510 -10.500 23.965 1.00 34.04 N ATOM 1161 CA ARG A 72 -7.846 -11.410 23.022 1.00 75.21 C ATOM 1162 C ARG A 72 -6.505 -10.836 22.536 1.00 14.20 C ATOM 1163 O ARG A 72 -5.514 -11.558 22.399 1.00 33.04 O ATOM 1164 CB ARG A 72 -8.761 -11.696 21.814 1.00 73.12 C ATOM 1165 CG ARG A 72 -9.976 -12.578 22.120 1.00 21.42 C ATOM 1166 CD ARG A 72 -10.859 -11.997 23.222 1.00 11.04 C ATOM 1167 NE ARG A 72 -12.114 -12.729 23.374 1.00 2.20 N ATOM 1168 CZ ARG A 72 -12.377 -13.568 24.340 1.00 34.40 C ATOM 1169 NH1 ARG A 72 -11.472 -13.898 25.206 1.00 13.11 N1+ ATOM 1170 NH2 ARG A 72 -13.553 -14.095 24.418 1.00 15.53 N ATOM 0 H ARG A 72 -9.315 -10.013 23.572 1.00 34.04 H new ATOM 0 HA ARG A 72 -7.646 -12.342 23.550 1.00 75.21 H new ATOM 0 HB2 ARG A 72 -9.112 -10.747 21.410 1.00 73.12 H new ATOM 0 HB3 ARG A 72 -8.169 -12.175 21.034 1.00 73.12 H new ATOM 0 HG2 ARG A 72 -10.568 -12.703 21.213 1.00 21.42 H new ATOM 0 HG3 ARG A 72 -9.635 -13.570 22.417 1.00 21.42 H new ATOM 0 HD2 ARG A 72 -10.315 -12.014 24.166 1.00 11.04 H new ATOM 0 HD3 ARG A 72 -11.076 -10.953 22.998 1.00 11.04 H new ATOM 0 HE ARG A 72 -12.839 -12.573 22.674 1.00 2.20 H new ATOM 0 HH11 ARG A 72 -10.535 -13.501 25.141 1.00 13.11 H new ATOM 0 HH12 ARG A 72 -11.697 -14.555 25.953 1.00 13.11 H new ATOM 0 HH21 ARG A 72 -14.266 -13.855 23.729 1.00 15.53 H new ATOM 0 HH22 ARG A 72 -13.769 -14.751 25.168 1.00 15.53 H new ATOM 1184 N ALA A 73 -6.491 -9.530 22.275 1.00 71.51 N ATOM 1185 CA ALA A 73 -5.314 -8.848 21.719 1.00 33.35 C ATOM 1186 C ALA A 73 -4.109 -8.867 22.672 1.00 15.13 C ATOM 1187 O ALA A 73 -2.965 -8.975 22.227 1.00 3.51 O ATOM 1188 CB ALA A 73 -5.666 -7.408 21.360 1.00 61.24 C ATOM 0 H ALA A 73 -7.287 -8.914 22.440 1.00 71.51 H new ATOM 0 HA ALA A 73 -5.024 -9.397 20.823 1.00 33.35 H new ATOM 0 HB1 ALA A 73 -4.788 -6.910 20.949 1.00 61.24 H new ATOM 0 HB2 ALA A 73 -6.466 -7.403 20.620 1.00 61.24 H new ATOM 0 HB3 ALA A 73 -5.996 -6.880 22.255 1.00 61.24 H new ATOM 1194 N LYS A 74 -4.367 -8.783 23.980 1.00 11.34 N ATOM 1195 CA LYS A 74 -3.288 -8.676 24.972 1.00 34.30 C ATOM 1196 C LYS A 74 -2.258 -9.812 24.841 1.00 21.41 C ATOM 1197 O LYS A 74 -1.066 -9.593 25.046 1.00 32.35 O ATOM 1198 CB LYS A 74 -3.832 -8.622 26.409 1.00 55.32 C ATOM 1199 CG LYS A 74 -2.751 -8.259 27.430 1.00 63.11 C ATOM 1200 CD LYS A 74 -3.291 -8.118 28.850 1.00 10.24 C ATOM 1201 CE LYS A 74 -3.785 -9.443 29.414 1.00 2.01 C ATOM 1202 NZ LYS A 74 -4.093 -9.340 30.863 1.00 55.43 N1+ ATOM 0 H LYS A 74 -5.307 -8.787 24.377 1.00 11.34 H new ATOM 0 HA LYS A 74 -2.780 -7.735 24.760 1.00 34.30 H new ATOM 0 HB2 LYS A 74 -4.638 -7.890 26.462 1.00 55.32 H new ATOM 0 HB3 LYS A 74 -4.262 -9.589 26.668 1.00 55.32 H new ATOM 0 HG2 LYS A 74 -1.976 -9.025 27.417 1.00 63.11 H new ATOM 0 HG3 LYS A 74 -2.279 -7.323 27.133 1.00 63.11 H new ATOM 0 HD2 LYS A 74 -2.509 -7.720 29.496 1.00 10.24 H new ATOM 0 HD3 LYS A 74 -4.108 -7.396 28.856 1.00 10.24 H new ATOM 0 HE2 LYS A 74 -4.677 -9.759 28.873 1.00 2.01 H new ATOM 0 HE3 LYS A 74 -3.028 -10.211 29.256 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 -4.427 -10.261 31.213 1.00 55.43 H new ATOM 0 HZ2 LYS A 74 -3.235 -9.062 31.381 1.00 55.43 H new ATOM 0 HZ3 LYS A 74 -4.833 -8.625 31.011 1.00 55.43 H new ATOM 1216 N LYS A 75 -2.716 -11.021 24.504 1.00 40.11 N ATOM 1217 CA LYS A 75 -1.811 -12.174 24.355 1.00 33.34 C ATOM 1218 C LYS A 75 -0.680 -11.870 23.353 1.00 31.45 C ATOM 1219 O LYS A 75 0.463 -12.281 23.554 1.00 1.13 O ATOM 1220 CB LYS A 75 -2.578 -13.433 23.901 1.00 5.42 C ATOM 1221 CG LYS A 75 -3.407 -14.110 24.996 1.00 50.21 C ATOM 1222 CD LYS A 75 -4.644 -13.303 25.381 1.00 5.33 C ATOM 1223 CE LYS A 75 -5.477 -14.024 26.437 1.00 72.11 C ATOM 1224 NZ LYS A 75 -6.735 -13.299 26.747 1.00 34.41 N1+ ATOM 0 H LYS A 75 -3.699 -11.230 24.330 1.00 40.11 H new ATOM 0 HA LYS A 75 -1.372 -12.364 25.335 1.00 33.34 H new ATOM 0 HB2 LYS A 75 -3.240 -13.161 23.079 1.00 5.42 H new ATOM 0 HB3 LYS A 75 -1.862 -14.155 23.508 1.00 5.42 H new ATOM 0 HG2 LYS A 75 -3.715 -15.098 24.655 1.00 50.21 H new ATOM 0 HG3 LYS A 75 -2.785 -14.257 25.879 1.00 50.21 H new ATOM 0 HD2 LYS A 75 -4.340 -12.327 25.760 1.00 5.33 H new ATOM 0 HD3 LYS A 75 -5.253 -13.125 24.495 1.00 5.33 H new ATOM 0 HE2 LYS A 75 -5.715 -15.028 26.087 1.00 72.11 H new ATOM 0 HE3 LYS A 75 -4.889 -14.135 27.348 1.00 72.11 H new ATOM 0 HZ1 LYS A 75 -6.970 -13.426 27.752 1.00 34.41 H new ATOM 0 HZ2 LYS A 75 -6.611 -12.286 26.545 1.00 34.41 H new ATOM 0 HZ3 LYS A 75 -7.507 -13.677 26.161 1.00 34.41 H new ATOM 1238 N LEU A 76 -1.002 -11.128 22.293 1.00 11.12 N ATOM 1239 CA LEU A 76 -0.002 -10.739 21.288 1.00 34.31 C ATOM 1240 C LEU A 76 1.029 -9.767 21.889 1.00 3.11 C ATOM 1241 O LEU A 76 2.232 -9.897 21.658 1.00 23.11 O ATOM 1242 CB LEU A 76 -0.676 -10.100 20.059 1.00 40.25 C ATOM 1243 CG LEU A 76 -1.530 -11.045 19.185 1.00 51.43 C ATOM 1244 CD1 LEU A 76 -0.710 -12.251 18.728 1.00 12.02 C ATOM 1245 CD2 LEU A 76 -2.796 -11.492 19.917 1.00 10.33 C ATOM 0 H LEU A 76 -1.943 -10.783 22.105 1.00 11.12 H new ATOM 0 HA LEU A 76 0.516 -11.643 20.968 1.00 34.31 H new ATOM 0 HB2 LEU A 76 -1.310 -9.283 20.402 1.00 40.25 H new ATOM 0 HB3 LEU A 76 0.100 -9.660 19.432 1.00 40.25 H new ATOM 0 HG LEU A 76 -1.840 -10.488 18.301 1.00 51.43 H new ATOM 0 HD11 LEU A 76 -1.332 -12.902 18.114 1.00 12.02 H new ATOM 0 HD12 LEU A 76 0.145 -11.910 18.144 1.00 12.02 H new ATOM 0 HD13 LEU A 76 -0.357 -12.802 19.600 1.00 12.02 H new ATOM 0 HD21 LEU A 76 -3.373 -12.156 19.273 1.00 10.33 H new ATOM 0 HD22 LEU A 76 -2.521 -12.020 20.830 1.00 10.33 H new ATOM 0 HD23 LEU A 76 -3.397 -10.619 20.170 1.00 10.33 H new ATOM 1257 N LEU A 77 0.546 -8.795 22.664 1.00 21.45 N ATOM 1258 CA LEU A 77 1.428 -7.846 23.361 1.00 72.53 C ATOM 1259 C LEU A 77 2.299 -8.570 24.406 1.00 25.51 C ATOM 1260 O LEU A 77 3.459 -8.210 24.625 1.00 13.12 O ATOM 1261 CB LEU A 77 0.613 -6.723 24.037 1.00 41.33 C ATOM 1262 CG LEU A 77 -0.134 -5.756 23.091 1.00 72.01 C ATOM 1263 CD1 LEU A 77 0.804 -5.203 22.024 1.00 64.53 C ATOM 1264 CD2 LEU A 77 -1.344 -6.427 22.451 1.00 34.20 C ATOM 0 H LEU A 77 -0.449 -8.641 22.827 1.00 21.45 H new ATOM 0 HA LEU A 77 2.082 -7.396 22.614 1.00 72.53 H new ATOM 0 HB2 LEU A 77 -0.117 -7.183 24.702 1.00 41.33 H new ATOM 0 HB3 LEU A 77 1.289 -6.138 24.661 1.00 41.33 H new ATOM 0 HG LEU A 77 -0.496 -4.922 23.693 1.00 72.01 H new ATOM 0 HD11 LEU A 77 0.254 -4.525 21.371 1.00 64.53 H new ATOM 0 HD12 LEU A 77 1.621 -4.663 22.502 1.00 64.53 H new ATOM 0 HD13 LEU A 77 1.209 -6.025 21.434 1.00 64.53 H new ATOM 0 HD21 LEU A 77 -1.846 -5.719 21.792 1.00 34.20 H new ATOM 0 HD22 LEU A 77 -1.017 -7.292 21.873 1.00 34.20 H new ATOM 0 HD23 LEU A 77 -2.035 -6.751 23.230 1.00 34.20 H new ATOM 1276 N ARG A 78 1.731 -9.599 25.043 1.00 12.31 N ATOM 1277 CA ARG A 78 2.465 -10.427 26.011 1.00 64.20 C ATOM 1278 C ARG A 78 3.669 -11.118 25.353 1.00 4.42 C ATOM 1279 O ARG A 78 4.723 -11.271 25.973 1.00 11.22 O ATOM 1280 CB ARG A 78 1.527 -11.473 26.640 1.00 71.22 C ATOM 1281 CG ARG A 78 0.500 -10.883 27.607 1.00 54.41 C ATOM 1282 CD ARG A 78 1.156 -10.385 28.895 1.00 22.24 C ATOM 1283 NE ARG A 78 1.783 -11.478 29.641 1.00 4.15 N ATOM 1284 CZ ARG A 78 2.832 -11.350 30.412 1.00 2.41 C ATOM 1285 NH1 ARG A 78 3.377 -10.192 30.617 1.00 62.03 N1+ ATOM 1286 NH2 ARG A 78 3.317 -12.389 31.001 1.00 22.42 N ATOM 0 H ARG A 78 0.760 -9.881 24.906 1.00 12.31 H new ATOM 0 HA ARG A 78 2.841 -9.771 26.796 1.00 64.20 H new ATOM 0 HB2 ARG A 78 1.001 -12.000 25.844 1.00 71.22 H new ATOM 0 HB3 ARG A 78 2.127 -12.213 27.170 1.00 71.22 H new ATOM 0 HG2 ARG A 78 -0.024 -10.058 27.123 1.00 54.41 H new ATOM 0 HG3 ARG A 78 -0.248 -11.638 27.848 1.00 54.41 H new ATOM 0 HD2 ARG A 78 1.906 -9.632 28.654 1.00 22.24 H new ATOM 0 HD3 ARG A 78 0.407 -9.900 29.521 1.00 22.24 H new ATOM 0 HE ARG A 78 1.372 -12.407 29.553 1.00 4.15 H new ATOM 0 HH11 ARG A 78 2.988 -9.360 30.174 1.00 62.03 H new ATOM 0 HH12 ARG A 78 4.195 -10.113 31.222 1.00 62.03 H new ATOM 0 HH21 ARG A 78 2.883 -13.302 30.864 1.00 22.42 H new ATOM 0 HH22 ARG A 78 4.135 -12.298 31.604 1.00 22.42 H new ATOM 1300 N SER A 79 3.513 -11.515 24.088 1.00 64.05 N ATOM 1301 CA SER A 79 4.610 -12.128 23.321 1.00 32.41 C ATOM 1302 C SER A 79 5.823 -11.190 23.215 1.00 41.32 C ATOM 1303 O SER A 79 6.947 -11.637 22.988 1.00 75.11 O ATOM 1304 CB SER A 79 4.142 -12.519 21.909 1.00 24.44 C ATOM 1305 OG SER A 79 3.104 -13.489 21.950 1.00 42.32 O ATOM 0 H SER A 79 2.639 -11.425 23.569 1.00 64.05 H new ATOM 0 HA SER A 79 4.912 -13.025 23.862 1.00 32.41 H new ATOM 0 HB2 SER A 79 3.790 -11.631 21.383 1.00 24.44 H new ATOM 0 HB3 SER A 79 4.986 -12.912 21.342 1.00 24.44 H new ATOM 0 HG SER A 79 3.496 -14.386 21.991 1.00 42.32 H new ATOM 1311 N TRP A 80 5.589 -9.887 23.364 1.00 73.40 N ATOM 1312 CA TRP A 80 6.674 -8.894 23.327 1.00 41.30 C ATOM 1313 C TRP A 80 7.239 -8.633 24.739 1.00 64.32 C ATOM 1314 O TRP A 80 8.387 -8.221 24.896 1.00 52.44 O ATOM 1315 CB TRP A 80 6.170 -7.574 22.720 1.00 75.24 C ATOM 1316 CG TRP A 80 5.484 -7.723 21.385 1.00 71.22 C ATOM 1317 CD1 TRP A 80 5.462 -8.830 20.582 1.00 70.14 C ATOM 1318 CD2 TRP A 80 4.727 -6.717 20.695 1.00 42.24 C ATOM 1319 NE1 TRP A 80 4.728 -8.580 19.451 1.00 14.13 N ATOM 1320 CE2 TRP A 80 4.270 -7.290 19.492 1.00 1.42 C ATOM 1321 CE3 TRP A 80 4.393 -5.388 20.977 1.00 1.01 C ATOM 1322 CZ2 TRP A 80 3.492 -6.584 18.578 1.00 23.20 C ATOM 1323 CZ3 TRP A 80 3.620 -4.688 20.067 1.00 60.55 C ATOM 1324 CH2 TRP A 80 3.179 -5.286 18.880 1.00 42.22 C ATOM 0 H TRP A 80 4.661 -9.490 23.511 1.00 73.40 H new ATOM 0 HA TRP A 80 7.473 -9.297 22.704 1.00 41.30 H new ATOM 0 HB2 TRP A 80 5.477 -7.107 23.420 1.00 75.24 H new ATOM 0 HB3 TRP A 80 7.015 -6.895 22.607 1.00 75.24 H new ATOM 0 HD1 TRP A 80 5.952 -9.766 20.806 1.00 70.14 H new ATOM 0 HE1 TRP A 80 4.552 -9.247 18.700 1.00 14.13 H new ATOM 0 HE3 TRP A 80 4.732 -4.917 21.888 1.00 1.01 H new ATOM 0 HZ2 TRP A 80 3.148 -7.044 17.664 1.00 23.20 H new ATOM 0 HZ3 TRP A 80 3.352 -3.663 20.276 1.00 60.55 H new ATOM 0 HH2 TRP A 80 2.580 -4.712 18.189 1.00 42.22 H new ATOM 1335 N GLN A 81 6.418 -8.894 25.759 1.00 10.44 N ATOM 1336 CA GLN A 81 6.779 -8.635 27.167 1.00 61.13 C ATOM 1337 C GLN A 81 7.933 -9.529 27.660 1.00 63.43 C ATOM 1338 O GLN A 81 8.570 -9.233 28.674 1.00 20.50 O ATOM 1339 CB GLN A 81 5.550 -8.812 28.076 1.00 31.42 C ATOM 1340 CG GLN A 81 4.413 -7.839 27.773 1.00 74.15 C ATOM 1341 CD GLN A 81 4.828 -6.384 27.905 1.00 13.13 C ATOM 1342 OE1 GLN A 81 4.721 -5.784 28.970 1.00 34.20 O ATOM 1343 NE2 GLN A 81 5.301 -5.799 26.822 1.00 61.05 N ATOM 0 H GLN A 81 5.486 -9.290 25.640 1.00 10.44 H new ATOM 0 HA GLN A 81 7.128 -7.603 27.218 1.00 61.13 H new ATOM 0 HB2 GLN A 81 5.179 -9.832 27.975 1.00 31.42 H new ATOM 0 HB3 GLN A 81 5.857 -8.686 29.114 1.00 31.42 H new ATOM 0 HG2 GLN A 81 4.049 -8.017 26.761 1.00 74.15 H new ATOM 0 HG3 GLN A 81 3.582 -8.037 28.450 1.00 74.15 H new ATOM 0 HE21 GLN A 81 5.378 -6.324 25.951 1.00 61.05 H new ATOM 0 HE22 GLN A 81 5.590 -4.821 26.855 1.00 61.05 H new ATOM 1352 N LYS A 82 8.207 -10.616 26.937 1.00 33.32 N ATOM 1353 CA LYS A 82 9.235 -11.592 27.347 1.00 4.22 C ATOM 1354 C LYS A 82 10.645 -10.979 27.480 1.00 71.40 C ATOM 1355 O LYS A 82 11.591 -11.664 27.868 1.00 70.41 O ATOM 1356 CB LYS A 82 9.265 -12.788 26.373 1.00 11.43 C ATOM 1357 CG LYS A 82 9.161 -12.429 24.885 1.00 64.52 C ATOM 1358 CD LYS A 82 10.328 -11.577 24.380 1.00 1.12 C ATOM 1359 CE LYS A 82 10.228 -11.320 22.877 1.00 22.41 C ATOM 1360 NZ LYS A 82 10.425 -12.564 22.085 1.00 71.15 N1+ ATOM 0 H LYS A 82 7.735 -10.849 26.063 1.00 33.32 H new ATOM 0 HA LYS A 82 8.949 -11.934 28.342 1.00 4.22 H new ATOM 0 HB2 LYS A 82 10.191 -13.341 26.532 1.00 11.43 H new ATOM 0 HB3 LYS A 82 8.445 -13.460 26.625 1.00 11.43 H new ATOM 0 HG2 LYS A 82 9.112 -13.348 24.300 1.00 64.52 H new ATOM 0 HG3 LYS A 82 8.228 -11.892 24.713 1.00 64.52 H new ATOM 0 HD2 LYS A 82 10.342 -10.626 24.912 1.00 1.12 H new ATOM 0 HD3 LYS A 82 11.269 -12.080 24.602 1.00 1.12 H new ATOM 0 HE2 LYS A 82 9.252 -10.894 22.646 1.00 22.41 H new ATOM 0 HE3 LYS A 82 10.975 -10.582 22.585 1.00 22.41 H new ATOM 0 HZ1 LYS A 82 9.770 -12.569 21.277 1.00 71.15 H new ATOM 0 HZ2 LYS A 82 11.404 -12.602 21.737 1.00 71.15 H new ATOM 0 HZ3 LYS A 82 10.239 -13.392 22.687 1.00 71.15 H new ATOM 1374 N LEU A 83 10.790 -9.698 27.158 1.00 72.34 N ATOM 1375 CA LEU A 83 12.069 -9.003 27.334 1.00 63.41 C ATOM 1376 C LEU A 83 12.415 -8.793 28.825 1.00 14.15 C ATOM 1377 O LEU A 83 13.591 -8.720 29.189 1.00 20.10 O ATOM 1378 CB LEU A 83 12.073 -7.669 26.555 1.00 1.32 C ATOM 1379 CG LEU A 83 10.747 -6.876 26.536 1.00 43.14 C ATOM 1380 CD1 LEU A 83 10.449 -6.238 27.889 1.00 33.42 C ATOM 1381 CD2 LEU A 83 10.766 -5.818 25.434 1.00 71.12 C ATOM 0 H LEU A 83 10.043 -9.118 26.775 1.00 72.34 H new ATOM 0 HA LEU A 83 12.851 -9.640 26.921 1.00 63.41 H new ATOM 0 HB2 LEU A 83 12.847 -7.029 26.979 1.00 1.32 H new ATOM 0 HB3 LEU A 83 12.361 -7.877 25.524 1.00 1.32 H new ATOM 0 HG LEU A 83 9.946 -7.585 26.325 1.00 43.14 H new ATOM 0 HD11 LEU A 83 9.509 -5.690 27.834 1.00 33.42 H new ATOM 0 HD12 LEU A 83 10.371 -7.016 28.649 1.00 33.42 H new ATOM 0 HD13 LEU A 83 11.254 -5.552 28.153 1.00 33.42 H new ATOM 0 HD21 LEU A 83 9.823 -5.271 25.438 1.00 71.12 H new ATOM 0 HD22 LEU A 83 11.588 -5.124 25.610 1.00 71.12 H new ATOM 0 HD23 LEU A 83 10.900 -6.302 24.467 1.00 71.12 H new ATOM 1393 N ILE A 84 11.393 -8.706 29.684 1.00 30.23 N ATOM 1394 CA ILE A 84 11.608 -8.558 31.139 1.00 12.30 C ATOM 1395 C ILE A 84 11.333 -9.857 31.919 1.00 71.41 C ATOM 1396 O ILE A 84 11.837 -10.033 33.028 1.00 12.03 O ATOM 1397 CB ILE A 84 10.726 -7.432 31.745 1.00 22.53 C ATOM 1398 CG1 ILE A 84 9.243 -7.652 31.390 1.00 43.32 C ATOM 1399 CG2 ILE A 84 11.210 -6.056 31.285 1.00 64.55 C ATOM 1400 CD1 ILE A 84 8.303 -6.647 32.024 1.00 15.24 C ATOM 0 H ILE A 84 10.412 -8.735 29.405 1.00 30.23 H new ATOM 0 HA ILE A 84 12.662 -8.299 31.243 1.00 12.30 H new ATOM 0 HB ILE A 84 10.818 -7.470 32.830 1.00 22.53 H new ATOM 0 HG12 ILE A 84 9.129 -7.608 30.307 1.00 43.32 H new ATOM 0 HG13 ILE A 84 8.950 -8.655 31.701 1.00 43.32 H new ATOM 0 HG21 ILE A 84 10.578 -5.283 31.722 1.00 64.55 H new ATOM 0 HG22 ILE A 84 12.241 -5.906 31.607 1.00 64.55 H new ATOM 0 HG23 ILE A 84 11.157 -5.996 30.198 1.00 64.55 H new ATOM 0 HD11 ILE A 84 7.278 -6.869 31.726 1.00 15.24 H new ATOM 0 HD12 ILE A 84 8.386 -6.705 33.109 1.00 15.24 H new ATOM 0 HD13 ILE A 84 8.567 -5.643 31.693 1.00 15.24 H new ATOM 1412 N GLU A 85 10.542 -10.764 31.343 1.00 61.32 N ATOM 1413 CA GLU A 85 10.126 -11.983 32.052 1.00 52.03 C ATOM 1414 C GLU A 85 10.204 -13.231 31.150 1.00 62.11 C ATOM 1415 O GLU A 85 10.134 -13.129 29.926 1.00 13.32 O ATOM 1416 CB GLU A 85 8.696 -11.808 32.589 1.00 31.31 C ATOM 1417 CG GLU A 85 7.651 -11.567 31.503 1.00 32.33 C ATOM 1418 CD GLU A 85 6.247 -11.420 32.066 1.00 4.41 C ATOM 1419 OE1 GLU A 85 5.723 -10.288 32.105 1.00 11.21 O ATOM 1420 OE2 GLU A 85 5.656 -12.440 32.474 1.00 11.52 O1- ATOM 0 H GLU A 85 10.177 -10.682 30.394 1.00 61.32 H new ATOM 0 HA GLU A 85 10.816 -12.137 32.882 1.00 52.03 H new ATOM 0 HB2 GLU A 85 8.419 -12.698 33.154 1.00 31.31 H new ATOM 0 HB3 GLU A 85 8.681 -10.970 33.286 1.00 31.31 H new ATOM 0 HG2 GLU A 85 7.912 -10.667 30.947 1.00 32.33 H new ATOM 0 HG3 GLU A 85 7.670 -12.396 30.795 1.00 32.33 H new ATOM 1427 N PRO A 86 10.347 -14.434 31.748 1.00 71.13 N ATOM 1428 CA PRO A 86 10.433 -15.706 31.001 1.00 4.34 C ATOM 1429 C PRO A 86 9.075 -16.205 30.457 1.00 4.10 C ATOM 1430 O PRO A 86 8.863 -17.412 30.316 1.00 2.22 O ATOM 1431 CB PRO A 86 10.986 -16.703 32.048 1.00 24.14 C ATOM 1432 CG PRO A 86 11.349 -15.881 33.245 1.00 4.33 C ATOM 1433 CD PRO A 86 10.472 -14.663 33.192 1.00 1.24 C ATOM 0 HA PRO A 86 11.054 -15.592 30.112 1.00 4.34 H new ATOM 0 HB2 PRO A 86 10.240 -17.456 32.303 1.00 24.14 H new ATOM 0 HB3 PRO A 86 11.855 -17.234 31.661 1.00 24.14 H new ATOM 0 HG2 PRO A 86 11.185 -16.440 34.166 1.00 4.33 H new ATOM 0 HG3 PRO A 86 12.403 -15.604 33.223 1.00 4.33 H new ATOM 0 HD2 PRO A 86 9.504 -14.837 33.662 1.00 1.24 H new ATOM 0 HD3 PRO A 86 10.925 -13.813 33.701 1.00 1.24 H new ATOM 1441 N ALA A 87 8.165 -15.287 30.133 1.00 35.34 N ATOM 1442 CA ALA A 87 6.857 -15.657 29.574 1.00 11.14 C ATOM 1443 C ALA A 87 6.853 -15.549 28.042 1.00 33.22 C ATOM 1444 O ALA A 87 6.641 -14.473 27.485 1.00 24.44 O ATOM 1445 CB ALA A 87 5.756 -14.786 30.173 1.00 64.31 C ATOM 0 H ALA A 87 8.305 -14.283 30.246 1.00 35.34 H new ATOM 0 HA ALA A 87 6.664 -16.697 29.836 1.00 11.14 H new ATOM 0 HB1 ALA A 87 4.794 -15.073 29.749 1.00 64.31 H new ATOM 0 HB2 ALA A 87 5.731 -14.923 31.254 1.00 64.31 H new ATOM 0 HB3 ALA A 87 5.956 -13.739 29.945 1.00 64.31 H new ATOM 1451 N HIS A 88 7.112 -16.667 27.365 1.00 22.41 N ATOM 1452 CA HIS A 88 7.130 -16.695 25.897 1.00 32.12 C ATOM 1453 C HIS A 88 6.820 -18.098 25.353 1.00 4.00 C ATOM 1454 O HIS A 88 7.488 -18.585 24.441 1.00 74.14 O ATOM 1455 CB HIS A 88 8.485 -16.202 25.371 1.00 71.31 C ATOM 1456 CG HIS A 88 9.668 -16.962 25.895 1.00 23.32 C ATOM 1457 ND1 HIS A 88 10.142 -18.113 25.309 1.00 25.50 N ATOM 1458 CD2 HIS A 88 10.482 -16.724 26.951 1.00 0.02 C ATOM 1459 CE1 HIS A 88 11.192 -18.546 25.972 1.00 21.12 C ATOM 1460 NE2 HIS A 88 11.422 -17.724 26.972 1.00 71.23 N ATOM 0 H HIS A 88 7.312 -17.565 27.805 1.00 22.41 H new ATOM 0 HA HIS A 88 6.347 -16.024 25.542 1.00 32.12 H new ATOM 0 HB2 HIS A 88 8.482 -16.263 24.283 1.00 71.31 H new ATOM 0 HB3 HIS A 88 8.601 -15.150 25.631 1.00 71.31 H new ATOM 0 HD1 HIS A 88 9.740 -18.562 24.486 1.00 25.50 H new ATOM 0 HD2 HIS A 88 10.406 -15.901 27.646 1.00 0.02 H new ATOM 0 HE1 HIS A 88 11.768 -19.428 25.735 1.00 21.12 H new ATOM 1469 N GLN A 89 5.796 -18.736 25.918 1.00 62.10 N ATOM 1470 CA GLN A 89 5.339 -20.053 25.449 1.00 51.05 C ATOM 1471 C GLN A 89 4.852 -19.979 23.994 1.00 62.21 C ATOM 1472 O GLN A 89 5.312 -20.727 23.129 1.00 52.25 O ATOM 1473 CB GLN A 89 4.210 -20.587 26.350 1.00 1.30 C ATOM 1474 CG GLN A 89 4.667 -21.047 27.734 1.00 22.42 C ATOM 1475 CD GLN A 89 5.233 -19.930 28.594 1.00 31.40 C ATOM 1476 OE1 GLN A 89 4.831 -18.775 28.487 1.00 51.22 O ATOM 1477 NE2 GLN A 89 6.186 -20.259 29.441 1.00 71.13 N ATOM 0 H GLN A 89 5.263 -18.365 26.704 1.00 62.10 H new ATOM 0 HA GLN A 89 6.186 -20.737 25.499 1.00 51.05 H new ATOM 0 HB2 GLN A 89 3.459 -19.807 26.470 1.00 1.30 H new ATOM 0 HB3 GLN A 89 3.724 -21.422 25.846 1.00 1.30 H new ATOM 0 HG2 GLN A 89 3.823 -21.501 28.253 1.00 22.42 H new ATOM 0 HG3 GLN A 89 5.424 -21.823 27.618 1.00 22.42 H new ATOM 0 HE21 GLN A 89 6.498 -21.228 29.506 1.00 71.13 H new ATOM 0 HE22 GLN A 89 6.612 -19.545 30.032 1.00 71.13 H new ATOM 1486 N HIS A 90 3.902 -19.085 23.736 1.00 12.11 N ATOM 1487 CA HIS A 90 3.424 -18.834 22.374 1.00 52.43 C ATOM 1488 C HIS A 90 4.047 -17.539 21.831 1.00 53.43 C ATOM 1489 O HIS A 90 3.519 -16.444 22.045 1.00 31.42 O ATOM 1490 CB HIS A 90 1.890 -18.747 22.357 1.00 41.31 C ATOM 1491 CG HIS A 90 1.301 -18.619 20.983 1.00 2.12 C ATOM 1492 ND1 HIS A 90 1.142 -17.411 20.337 1.00 55.31 N ATOM 1493 CD2 HIS A 90 0.820 -19.558 20.132 1.00 25.33 C ATOM 1494 CE1 HIS A 90 0.592 -17.610 19.156 1.00 4.44 C ATOM 1495 NE2 HIS A 90 0.388 -18.901 19.009 1.00 60.33 N ATOM 0 H HIS A 90 3.445 -18.520 24.452 1.00 12.11 H new ATOM 0 HA HIS A 90 3.727 -19.661 21.732 1.00 52.43 H new ATOM 0 HB2 HIS A 90 1.481 -19.637 22.835 1.00 41.31 H new ATOM 0 HB3 HIS A 90 1.578 -17.891 22.956 1.00 41.31 H new ATOM 0 HD2 HIS A 90 0.784 -20.623 20.306 1.00 25.33 H new ATOM 0 HE1 HIS A 90 0.350 -16.845 18.433 1.00 4.44 H new ATOM 0 HE2 HIS A 90 -0.026 -19.344 18.189 1.00 60.33 H new ATOM 1504 N GLU A 91 5.183 -17.671 21.149 1.00 64.21 N ATOM 1505 CA GLU A 91 5.949 -16.506 20.682 1.00 14.10 C ATOM 1506 C GLU A 91 6.729 -16.851 19.400 1.00 62.24 C ATOM 1507 O GLU A 91 7.387 -17.893 19.326 1.00 55.10 O ATOM 1508 CB GLU A 91 6.898 -16.053 21.809 1.00 11.34 C ATOM 1509 CG GLU A 91 7.455 -14.633 21.670 1.00 25.33 C ATOM 1510 CD GLU A 91 8.683 -14.534 20.779 1.00 4.52 C ATOM 1511 OE1 GLU A 91 9.569 -15.405 20.881 1.00 64.13 O ATOM 1512 OE2 GLU A 91 8.798 -13.550 20.022 1.00 43.22 O1- ATOM 0 H GLU A 91 5.597 -18.571 20.905 1.00 64.21 H new ATOM 0 HA GLU A 91 5.269 -15.690 20.438 1.00 14.10 H new ATOM 0 HB2 GLU A 91 6.367 -16.125 22.758 1.00 11.34 H new ATOM 0 HB3 GLU A 91 7.735 -16.750 21.858 1.00 11.34 H new ATOM 0 HG2 GLU A 91 6.675 -13.986 21.269 1.00 25.33 H new ATOM 0 HG3 GLU A 91 7.706 -14.254 22.661 1.00 25.33 H new ATOM 1519 N ALA A 92 6.651 -15.974 18.398 1.00 71.14 N ATOM 1520 CA ALA A 92 7.202 -16.256 17.059 1.00 50.33 C ATOM 1521 C ALA A 92 8.732 -16.050 16.980 1.00 11.31 C ATOM 1522 O ALA A 92 9.479 -17.023 17.231 1.00 38.04 O ATOM 1523 CB ALA A 92 6.486 -15.399 16.017 1.00 62.42 C ATOM 1524 OXT ALA A 92 9.181 -14.926 16.646 1.00 38.04 O ATOM 0 H ALA A 92 6.211 -15.058 18.483 1.00 71.14 H new ATOM 0 HA ALA A 92 7.026 -17.311 16.851 1.00 50.33 H new ATOM 0 HB1 ALA A 92 6.895 -15.610 15.029 1.00 62.42 H new ATOM 0 HB2 ALA A 92 5.421 -15.630 16.025 1.00 62.42 H new ATOM 0 HB3 ALA A 92 6.630 -14.344 16.252 1.00 62.42 H new TER 1530 ALA A 92