USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 64 TYR OH : rot 169:sc= -1.33 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -128:sc= -1.72 (180deg=-3.73!) USER MOD Set 2.1: A 68 THR OG1 : rot 5:sc= 0.845 USER MOD Set 2.2: A 70 THR OG1 : rot 73:sc= -0.555 USER MOD Set 3.1: A 35 THR OG1 : rot 75:sc= -0.438! USER MOD Set 3.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 7 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.077) USER MOD Single : A 11 TYR OH : rot -37:sc= 1.02 USER MOD Single : A 17 SER OG : rot 105:sc= 1.01 USER MOD Single : A 19 THR OG1 : rot -70:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -140:sc= -0.581 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.751 X(o=-0.75,f=-0.39) USER MOD Single : A 54 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.4!) USER MOD Single : A 56 ASN :FLIP amide:sc= -7.01! C(o=-11!,f=-7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.227 0.841 -0.877 1.00 62.35 N ATOM 2 CA CYS A 1 2.095 0.591 -2.016 1.00 3.13 C ATOM 3 C CYS A 1 1.672 -0.730 -2.662 1.00 1.50 C ATOM 4 O CYS A 1 2.285 -1.768 -2.419 1.00 33.01 O ATOM 5 CB CYS A 1 3.571 0.581 -1.610 1.00 54.25 C ATOM 6 SG CYS A 1 4.673 -0.333 -2.749 1.00 61.52 S ATOM 0 H1 CYS A 1 1.499 1.736 -0.423 1.00 62.35 H new ATOM 0 H2 CYS A 1 0.240 0.902 -1.199 1.00 62.35 H new ATOM 0 H3 CYS A 1 1.320 0.064 -0.192 1.00 62.35 H new ATOM 0 HA CYS A 1 1.990 1.398 -2.741 1.00 3.13 H new ATOM 0 HB2 CYS A 1 3.920 1.611 -1.537 1.00 54.25 H new ATOM 0 HB3 CYS A 1 3.657 0.144 -0.615 1.00 54.25 H new ATOM 11 N TYR A 2 0.627 -0.647 -3.473 1.00 5.33 N ATOM 12 CA TYR A 2 0.115 -1.822 -4.156 1.00 23.52 C ATOM 13 C TYR A 2 1.170 -2.416 -5.092 1.00 23.25 C ATOM 14 O TYR A 2 2.142 -1.748 -5.441 1.00 51.30 O ATOM 15 CB TYR A 2 -1.075 -1.341 -4.988 1.00 62.44 C ATOM 16 CG TYR A 2 -2.334 -1.056 -4.167 1.00 61.33 C ATOM 17 CD1 TYR A 2 -3.032 -2.098 -3.590 1.00 41.42 C ATOM 18 CD2 TYR A 2 -2.772 0.242 -4.004 1.00 3.43 C ATOM 19 CE1 TYR A 2 -4.217 -1.829 -2.817 1.00 60.35 C ATOM 20 CE2 TYR A 2 -3.957 0.511 -3.231 1.00 22.30 C ATOM 21 CZ TYR A 2 -4.621 -0.538 -2.676 1.00 60.40 C ATOM 22 OH TYR A 2 -5.740 -0.285 -1.946 1.00 52.12 O ATOM 0 H TYR A 2 0.121 0.216 -3.672 1.00 5.33 H new ATOM 0 HA TYR A 2 -0.162 -2.593 -3.437 1.00 23.52 H new ATOM 0 HB2 TYR A 2 -0.789 -0.435 -5.522 1.00 62.44 H new ATOM 0 HB3 TYR A 2 -1.307 -2.095 -5.741 1.00 62.44 H new ATOM 0 HD1 TYR A 2 -2.690 -3.114 -3.718 1.00 41.42 H new ATOM 0 HD2 TYR A 2 -2.226 1.057 -4.456 1.00 3.43 H new ATOM 0 HE1 TYR A 2 -4.772 -2.634 -2.360 1.00 60.35 H new ATOM 0 HE2 TYR A 2 -4.310 1.523 -3.095 1.00 22.30 H new ATOM 0 HH TYR A 2 -5.908 0.680 -1.929 1.00 52.12 H new ATOM 32 N VAL A 3 0.943 -3.665 -5.470 1.00 63.25 N ATOM 33 CA VAL A 3 1.862 -4.357 -6.359 1.00 2.52 C ATOM 34 C VAL A 3 1.070 -5.028 -7.483 1.00 22.15 C ATOM 35 O VAL A 3 0.046 -5.656 -7.302 1.00 15.24 O ATOM 36 CB VAL A 3 2.720 -5.341 -5.561 1.00 42.24 C ATOM 37 CG1 VAL A 3 3.098 -6.554 -6.414 1.00 3.15 C ATOM 38 CG2 VAL A 3 3.967 -4.653 -5.003 1.00 4.15 C ATOM 0 H VAL A 3 0.136 -4.216 -5.177 1.00 63.25 H new ATOM 0 HA VAL A 3 2.549 -3.650 -6.824 1.00 2.52 H new ATOM 0 HB VAL A 3 2.128 -5.696 -4.718 1.00 42.24 H new ATOM 0 HG11 VAL A 3 3.708 -7.238 -5.824 1.00 3.15 H new ATOM 0 HG12 VAL A 3 2.193 -7.065 -6.741 1.00 3.15 H new ATOM 0 HG13 VAL A 3 3.663 -6.224 -7.285 1.00 3.15 H new ATOM 0 HG21 VAL A 3 4.559 -5.374 -4.440 1.00 4.15 H new ATOM 0 HG22 VAL A 3 4.563 -4.257 -5.825 1.00 4.15 H new ATOM 0 HG23 VAL A 3 3.669 -3.837 -4.345 1.00 4.15 H new ATOM 48 N ASP A 4 1.575 -4.882 -8.676 1.00 41.23 N ATOM 49 CA ASP A 4 0.900 -5.494 -9.855 1.00 72.20 C ATOM 50 C ASP A 4 1.529 -6.855 -10.171 1.00 5.04 C ATOM 51 O ASP A 4 2.739 -6.986 -9.986 1.00 75.44 O ATOM 52 CB ASP A 4 1.139 -4.513 -11.003 1.00 3.44 C ATOM 53 CG ASP A 4 0.490 -5.049 -12.279 1.00 72.40 C ATOM 54 OD1 ASP A 4 -0.130 -6.098 -12.210 1.00 34.25 O ATOM 55 OD2 ASP A 4 0.624 -4.405 -13.306 1.00 51.43 O ATOM 0 H ASP A 4 2.428 -4.364 -8.886 1.00 41.23 H new ATOM 0 HA ASP A 4 -0.163 -5.665 -9.682 1.00 72.20 H new ATOM 0 HB2 ASP A 4 0.723 -3.537 -10.753 1.00 3.44 H new ATOM 0 HB3 ASP A 4 2.209 -4.373 -11.158 1.00 3.44 H new ATOM 60 N THR A 5 0.730 -7.812 -10.620 1.00 4.43 N ATOM 61 CA THR A 5 1.248 -9.132 -10.937 1.00 43.43 C ATOM 62 C THR A 5 1.320 -9.326 -12.453 1.00 53.11 C ATOM 63 O THR A 5 1.477 -10.448 -12.932 1.00 55.01 O ATOM 64 CB THR A 5 0.369 -10.167 -10.233 1.00 11.52 C ATOM 65 OG1 THR A 5 -0.947 -9.878 -10.697 1.00 41.13 O ATOM 66 CG2 THR A 5 0.290 -9.937 -8.722 1.00 54.52 C ATOM 0 H THR A 5 -0.272 -7.699 -10.772 1.00 4.43 H new ATOM 0 HA THR A 5 2.269 -9.253 -10.576 1.00 43.43 H new ATOM 0 HB THR A 5 0.758 -11.166 -10.428 1.00 11.52 H new ATOM 0 HG1 THR A 5 -1.582 -10.504 -10.291 1.00 41.13 H new ATOM 0 HG21 THR A 5 -0.346 -10.699 -8.271 1.00 54.52 H new ATOM 0 HG22 THR A 5 1.290 -9.998 -8.292 1.00 54.52 H new ATOM 0 HG23 THR A 5 -0.130 -8.951 -8.526 1.00 54.52 H new ATOM 74 N ASN A 6 1.201 -8.215 -13.166 1.00 62.51 N ATOM 75 CA ASN A 6 1.250 -8.249 -14.618 1.00 24.41 C ATOM 76 C ASN A 6 2.541 -7.581 -15.096 1.00 30.10 C ATOM 77 O ASN A 6 2.987 -7.816 -16.218 1.00 1.10 O ATOM 78 CB ASN A 6 0.071 -7.489 -15.227 1.00 33.11 C ATOM 79 CG ASN A 6 -1.222 -7.778 -14.461 1.00 1.32 C ATOM 80 OD1 ASN A 6 -2.084 -6.929 -14.305 1.00 13.13 O ATOM 81 ND2 ASN A 6 -1.308 -9.020 -13.993 1.00 43.21 N ATOM 0 H ASN A 6 1.071 -7.286 -12.765 1.00 62.51 H new ATOM 0 HA ASN A 6 1.207 -9.292 -14.932 1.00 24.41 H new ATOM 0 HB2 ASN A 6 0.276 -6.419 -15.211 1.00 33.11 H new ATOM 0 HB3 ASN A 6 -0.050 -7.774 -16.272 1.00 33.11 H new ATOM 0 HD21 ASN A 6 -2.132 -9.311 -13.468 1.00 43.21 H new ATOM 0 HD22 ASN A 6 -0.550 -9.681 -14.159 1.00 43.21 H new ATOM 88 N ASN A 7 3.105 -6.762 -14.221 1.00 14.43 N ATOM 89 CA ASN A 7 4.335 -6.058 -14.539 1.00 42.33 C ATOM 90 C ASN A 7 4.034 -4.942 -15.542 1.00 3.43 C ATOM 91 O ASN A 7 4.888 -4.584 -16.352 1.00 55.51 O ATOM 92 CB ASN A 7 5.360 -7.000 -15.174 1.00 50.32 C ATOM 93 CG ASN A 7 6.783 -6.471 -14.983 1.00 51.24 C ATOM 94 OD1 ASN A 7 7.501 -6.191 -15.929 1.00 52.53 O ATOM 95 ND2 ASN A 7 7.149 -6.350 -13.711 1.00 22.54 N ATOM 0 H ASN A 7 2.732 -6.570 -13.291 1.00 14.43 H new ATOM 0 HA ASN A 7 4.742 -5.654 -13.612 1.00 42.33 H new ATOM 0 HB2 ASN A 7 5.274 -7.991 -14.728 1.00 50.32 H new ATOM 0 HB3 ASN A 7 5.149 -7.110 -16.238 1.00 50.32 H new ATOM 0 HD21 ASN A 7 8.080 -6.005 -13.479 1.00 22.54 H new ATOM 0 HD22 ASN A 7 6.499 -6.602 -12.967 1.00 22.54 H new ATOM 102 N ASP A 8 2.818 -4.423 -15.454 1.00 3.13 N ATOM 103 CA ASP A 8 2.394 -3.355 -16.343 1.00 2.21 C ATOM 104 C ASP A 8 2.512 -2.014 -15.615 1.00 71.21 C ATOM 105 O ASP A 8 2.640 -0.968 -16.250 1.00 34.33 O ATOM 106 CB ASP A 8 0.935 -3.537 -16.766 1.00 1.35 C ATOM 107 CG ASP A 8 -0.098 -3.013 -15.766 1.00 1.03 C ATOM 108 OD1 ASP A 8 -0.076 -1.788 -15.516 1.00 71.33 O ATOM 109 OD2 ASP A 8 -0.886 -3.849 -15.273 1.00 61.14 O ATOM 0 H ASP A 8 2.113 -4.722 -14.780 1.00 3.13 H new ATOM 0 HA ASP A 8 3.031 -3.379 -17.227 1.00 2.21 H new ATOM 0 HB2 ASP A 8 0.783 -3.032 -17.720 1.00 1.35 H new ATOM 0 HB3 ASP A 8 0.751 -4.598 -16.934 1.00 1.35 H new ATOM 114 N GLY A 9 2.465 -2.089 -14.293 1.00 53.21 N ATOM 115 CA GLY A 9 2.564 -0.894 -13.472 1.00 65.01 C ATOM 116 C GLY A 9 1.182 -0.295 -13.205 1.00 61.13 C ATOM 117 O GLY A 9 1.025 0.925 -13.176 1.00 22.40 O ATOM 0 H GLY A 9 2.360 -2.958 -13.770 1.00 53.21 H new ATOM 0 HA2 GLY A 9 3.047 -1.138 -12.526 1.00 65.01 H new ATOM 0 HA3 GLY A 9 3.193 -0.157 -13.971 1.00 65.01 H new ATOM 121 N ALA A 10 0.215 -1.181 -13.017 1.00 52.24 N ATOM 122 CA ALA A 10 -1.149 -0.755 -12.754 1.00 52.20 C ATOM 123 C ALA A 10 -1.804 -1.732 -11.775 1.00 50.15 C ATOM 124 O ALA A 10 -1.613 -2.942 -11.880 1.00 72.54 O ATOM 125 CB ALA A 10 -1.915 -0.650 -14.074 1.00 75.31 C ATOM 0 H ALA A 10 0.349 -2.192 -13.042 1.00 52.24 H new ATOM 0 HA ALA A 10 -1.160 0.232 -12.292 1.00 52.20 H new ATOM 0 HB1 ALA A 10 -2.938 -0.330 -13.876 1.00 75.31 H new ATOM 0 HB2 ALA A 10 -1.426 0.078 -14.721 1.00 75.31 H new ATOM 0 HB3 ALA A 10 -1.927 -1.623 -14.566 1.00 75.31 H new ATOM 131 N TYR A 11 -2.563 -1.170 -10.846 1.00 44.51 N ATOM 132 CA TYR A 11 -3.247 -1.976 -9.850 1.00 3.03 C ATOM 133 C TYR A 11 -4.717 -2.178 -10.223 1.00 23.21 C ATOM 134 O TYR A 11 -5.487 -1.220 -10.268 1.00 21.20 O ATOM 135 CB TYR A 11 -3.169 -1.186 -8.542 1.00 11.31 C ATOM 136 CG TYR A 11 -1.744 -0.826 -8.116 1.00 54.42 C ATOM 137 CD1 TYR A 11 -0.770 -1.802 -8.070 1.00 32.41 C ATOM 138 CD2 TYR A 11 -1.433 0.476 -7.778 1.00 71.34 C ATOM 139 CE1 TYR A 11 0.571 -1.463 -7.669 1.00 73.52 C ATOM 140 CE2 TYR A 11 -0.092 0.815 -7.378 1.00 32.43 C ATOM 141 CZ TYR A 11 0.844 -0.172 -7.343 1.00 14.31 C ATOM 142 OH TYR A 11 2.110 0.148 -6.964 1.00 40.34 O ATOM 0 H TYR A 11 -2.719 -0.166 -10.762 1.00 44.51 H new ATOM 0 HA TYR A 11 -2.787 -2.961 -9.772 1.00 3.03 H new ATOM 0 HB2 TYR A 11 -3.748 -0.269 -8.649 1.00 11.31 H new ATOM 0 HB3 TYR A 11 -3.638 -1.769 -7.749 1.00 11.31 H new ATOM 0 HD1 TYR A 11 -1.013 -2.820 -8.335 1.00 32.41 H new ATOM 0 HD2 TYR A 11 -2.195 1.240 -7.814 1.00 71.34 H new ATOM 0 HE1 TYR A 11 1.342 -2.218 -7.628 1.00 73.52 H new ATOM 0 HE2 TYR A 11 0.165 1.830 -7.112 1.00 32.43 H new ATOM 0 HH TYR A 11 2.487 -0.584 -6.432 1.00 40.34 H new ATOM 152 N GLU A 12 -5.062 -3.431 -10.481 1.00 64.11 N ATOM 153 CA GLU A 12 -6.426 -3.771 -10.849 1.00 65.20 C ATOM 154 C GLU A 12 -6.678 -5.264 -10.628 1.00 14.11 C ATOM 155 O GLU A 12 -6.076 -6.104 -11.294 1.00 73.50 O ATOM 156 CB GLU A 12 -6.718 -3.374 -12.297 1.00 61.34 C ATOM 157 CG GLU A 12 -6.042 -4.336 -13.277 1.00 32.34 C ATOM 158 CD GLU A 12 -4.571 -4.545 -12.913 1.00 22.22 C ATOM 159 OE1 GLU A 12 -3.891 -3.521 -12.686 1.00 14.33 O ATOM 160 OE2 GLU A 12 -4.159 -5.724 -12.870 1.00 63.52 O ATOM 0 H GLU A 12 -4.421 -4.223 -10.442 1.00 64.11 H new ATOM 0 HA GLU A 12 -7.106 -3.209 -10.209 1.00 65.20 H new ATOM 0 HB2 GLU A 12 -7.795 -3.373 -12.467 1.00 61.34 H new ATOM 0 HB3 GLU A 12 -6.366 -2.358 -12.477 1.00 61.34 H new ATOM 0 HG2 GLU A 12 -6.562 -5.294 -13.269 1.00 32.34 H new ATOM 0 HG3 GLU A 12 -6.117 -3.941 -14.290 1.00 32.34 H new ATOM 167 N GLY A 13 -7.570 -5.548 -9.690 1.00 11.20 N ATOM 168 CA GLY A 13 -7.910 -6.924 -9.373 1.00 31.53 C ATOM 169 C GLY A 13 -7.329 -7.335 -8.018 1.00 45.32 C ATOM 170 O GLY A 13 -7.652 -6.737 -6.993 1.00 35.20 O ATOM 0 H GLY A 13 -8.067 -4.848 -9.139 1.00 11.20 H new ATOM 0 HA2 GLY A 13 -8.994 -7.040 -9.358 1.00 31.53 H new ATOM 0 HA3 GLY A 13 -7.529 -7.585 -10.152 1.00 31.53 H new ATOM 174 N ASP A 14 -6.480 -8.351 -8.058 1.00 21.30 N ATOM 175 CA ASP A 14 -5.850 -8.848 -6.846 1.00 72.45 C ATOM 176 C ASP A 14 -4.704 -7.915 -6.453 1.00 10.54 C ATOM 177 O ASP A 14 -4.228 -7.954 -5.319 1.00 13.31 O ATOM 178 CB ASP A 14 -5.268 -10.247 -7.062 1.00 41.42 C ATOM 179 CG ASP A 14 -4.326 -10.377 -8.261 1.00 4.24 C ATOM 180 OD1 ASP A 14 -3.136 -10.690 -8.106 1.00 62.24 O ATOM 181 OD2 ASP A 14 -4.866 -10.138 -9.407 1.00 61.24 O ATOM 0 H ASP A 14 -6.213 -8.844 -8.910 1.00 21.30 H new ATOM 0 HA ASP A 14 -6.608 -8.889 -6.064 1.00 72.45 H new ATOM 0 HB2 ASP A 14 -4.729 -10.543 -6.162 1.00 41.42 H new ATOM 0 HB3 ASP A 14 -6.091 -10.951 -7.187 1.00 41.42 H new ATOM 187 N GLU A 15 -4.294 -7.097 -7.411 1.00 4.33 N ATOM 188 CA GLU A 15 -3.212 -6.154 -7.178 1.00 72.42 C ATOM 189 C GLU A 15 -3.671 -5.042 -6.233 1.00 75.04 C ATOM 190 O GLU A 15 -2.872 -4.204 -5.821 1.00 4.42 O ATOM 191 CB GLU A 15 -2.696 -5.575 -8.497 1.00 73.50 C ATOM 192 CG GLU A 15 -2.402 -6.687 -9.506 1.00 24.41 C ATOM 193 CD GLU A 15 -2.477 -6.160 -10.940 1.00 61.23 C ATOM 194 OE1 GLU A 15 -2.684 -4.936 -11.085 1.00 35.11 O ATOM 195 OE2 GLU A 15 -2.325 -6.993 -11.860 1.00 32.43 O ATOM 0 H GLU A 15 -4.691 -7.067 -8.350 1.00 4.33 H new ATOM 0 HA GLU A 15 -2.387 -6.687 -6.706 1.00 72.42 H new ATOM 0 HB2 GLU A 15 -3.435 -4.889 -8.911 1.00 73.50 H new ATOM 0 HB3 GLU A 15 -1.791 -4.996 -8.315 1.00 73.50 H new ATOM 0 HG2 GLU A 15 -1.411 -7.101 -9.318 1.00 24.41 H new ATOM 0 HG3 GLU A 15 -3.117 -7.500 -9.376 1.00 24.41 H new ATOM 202 N LEU A 16 -4.958 -5.070 -5.918 1.00 71.54 N ATOM 203 CA LEU A 16 -5.533 -4.075 -5.030 1.00 53.10 C ATOM 204 C LEU A 16 -5.991 -4.754 -3.738 1.00 21.32 C ATOM 205 O LEU A 16 -6.928 -4.293 -3.088 1.00 72.42 O ATOM 206 CB LEU A 16 -6.642 -3.298 -5.742 1.00 52.14 C ATOM 207 CG LEU A 16 -6.202 -2.436 -6.927 1.00 54.15 C ATOM 208 CD1 LEU A 16 -7.369 -2.182 -7.884 1.00 32.21 C ATOM 209 CD2 LEU A 16 -5.560 -1.132 -6.449 1.00 21.42 C ATOM 0 H LEU A 16 -5.619 -5.767 -6.262 1.00 71.54 H new ATOM 0 HA LEU A 16 -4.783 -3.334 -4.753 1.00 53.10 H new ATOM 0 HB2 LEU A 16 -7.389 -4.010 -6.093 1.00 52.14 H new ATOM 0 HB3 LEU A 16 -7.133 -2.654 -5.012 1.00 52.14 H new ATOM 0 HG LEU A 16 -5.442 -2.984 -7.483 1.00 54.15 H new ATOM 0 HD11 LEU A 16 -7.029 -1.567 -8.717 1.00 32.21 H new ATOM 0 HD12 LEU A 16 -7.742 -3.133 -8.264 1.00 32.21 H new ATOM 0 HD13 LEU A 16 -8.168 -1.665 -7.354 1.00 32.21 H new ATOM 0 HD21 LEU A 16 -5.256 -0.538 -7.311 1.00 21.42 H new ATOM 0 HD22 LEU A 16 -6.280 -0.568 -5.856 1.00 21.42 H new ATOM 0 HD23 LEU A 16 -4.686 -1.359 -5.839 1.00 21.42 H new ATOM 221 N SER A 17 -5.308 -5.839 -3.404 1.00 30.35 N ATOM 222 CA SER A 17 -5.633 -6.587 -2.201 1.00 3.14 C ATOM 223 C SER A 17 -4.850 -6.029 -1.010 1.00 42.24 C ATOM 224 O SER A 17 -5.246 -6.214 0.139 1.00 5.04 O ATOM 225 CB SER A 17 -5.334 -8.077 -2.381 1.00 12.44 C ATOM 226 OG SER A 17 -5.813 -8.570 -3.629 1.00 11.02 O ATOM 0 H SER A 17 -4.531 -6.218 -3.945 1.00 30.35 H new ATOM 0 HA SER A 17 -6.700 -6.479 -2.009 1.00 3.14 H new ATOM 0 HB2 SER A 17 -4.259 -8.242 -2.315 1.00 12.44 H new ATOM 0 HB3 SER A 17 -5.793 -8.640 -1.568 1.00 12.44 H new ATOM 0 HG SER A 17 -5.059 -8.697 -4.242 1.00 11.02 H new ATOM 232 N GLY A 18 -3.753 -5.357 -1.327 1.00 41.34 N ATOM 233 CA GLY A 18 -2.911 -4.770 -0.299 1.00 21.35 C ATOM 234 C GLY A 18 -1.542 -5.453 -0.255 1.00 34.22 C ATOM 235 O GLY A 18 -1.458 -6.679 -0.191 1.00 10.34 O ATOM 0 H GLY A 18 -3.428 -5.206 -2.282 1.00 41.34 H new ATOM 0 HA2 GLY A 18 -2.784 -3.705 -0.492 1.00 21.35 H new ATOM 0 HA3 GLY A 18 -3.398 -4.862 0.672 1.00 21.35 H new ATOM 239 N THR A 19 -0.505 -4.630 -0.291 1.00 64.55 N ATOM 240 CA THR A 19 0.856 -5.140 -0.257 1.00 12.21 C ATOM 241 C THR A 19 1.587 -4.624 0.984 1.00 33.44 C ATOM 242 O THR A 19 1.095 -3.731 1.673 1.00 62.34 O ATOM 243 CB THR A 19 1.539 -4.752 -1.569 1.00 44.24 C ATOM 244 OG1 THR A 19 0.526 -4.930 -2.555 1.00 33.31 O ATOM 245 CG2 THR A 19 2.632 -5.742 -1.976 1.00 25.44 C ATOM 0 H THR A 19 -0.579 -3.614 -0.343 1.00 64.55 H new ATOM 0 HA THR A 19 0.870 -6.227 -0.176 1.00 12.21 H new ATOM 0 HB THR A 19 1.970 -3.755 -1.472 1.00 44.24 H new ATOM 0 HG1 THR A 19 0.346 -5.886 -2.670 1.00 33.31 H new ATOM 0 HG21 THR A 19 3.084 -5.419 -2.914 1.00 25.44 H new ATOM 0 HG22 THR A 19 3.396 -5.780 -1.199 1.00 25.44 H new ATOM 0 HG23 THR A 19 2.196 -6.733 -2.105 1.00 25.44 H new ATOM 253 N MET A 20 2.749 -5.210 1.233 1.00 42.51 N ATOM 254 CA MET A 20 3.553 -4.821 2.379 1.00 11.33 C ATOM 255 C MET A 20 4.928 -4.316 1.939 1.00 44.12 C ATOM 256 O MET A 20 5.619 -4.980 1.167 1.00 3.43 O ATOM 257 CB MET A 20 3.724 -6.020 3.313 1.00 22.33 C ATOM 258 CG MET A 20 2.368 -6.533 3.802 1.00 52.11 C ATOM 259 SD MET A 20 2.603 -7.781 5.056 1.00 34.00 S ATOM 260 CE MET A 20 0.996 -8.558 5.024 1.00 31.25 C ATOM 0 H MET A 20 3.153 -5.951 0.661 1.00 42.51 H new ATOM 0 HA MET A 20 3.041 -4.013 2.901 1.00 11.33 H new ATOM 0 HB2 MET A 20 4.252 -6.819 2.792 1.00 22.33 H new ATOM 0 HB3 MET A 20 4.338 -5.735 4.167 1.00 22.33 H new ATOM 0 HG2 MET A 20 1.781 -5.707 4.205 1.00 52.11 H new ATOM 0 HG3 MET A 20 1.804 -6.947 2.966 1.00 52.11 H new ATOM 0 HE1 MET A 20 0.969 -9.367 5.754 1.00 31.25 H new ATOM 0 HE2 MET A 20 0.231 -7.822 5.270 1.00 31.25 H new ATOM 0 HE3 MET A 20 0.806 -8.960 4.029 1.00 31.25 H new ATOM 270 N GLU A 21 5.285 -3.146 2.448 1.00 51.21 N ATOM 271 CA GLU A 21 6.565 -2.544 2.117 1.00 65.43 C ATOM 272 C GLU A 21 7.580 -2.809 3.231 1.00 63.13 C ATOM 273 O GLU A 21 7.333 -2.483 4.391 1.00 42.13 O ATOM 274 CB GLU A 21 6.416 -1.044 1.857 1.00 73.24 C ATOM 275 CG GLU A 21 7.768 -0.334 1.948 1.00 31.11 C ATOM 276 CD GLU A 21 7.647 1.132 1.527 1.00 61.21 C ATOM 277 OE1 GLU A 21 6.674 1.506 0.855 1.00 21.41 O ATOM 278 OE2 GLU A 21 8.609 1.894 1.923 1.00 3.12 O ATOM 0 H GLU A 21 4.709 -2.599 3.088 1.00 51.21 H new ATOM 0 HA GLU A 21 6.933 -3.003 1.199 1.00 65.43 H new ATOM 0 HB2 GLU A 21 5.983 -0.884 0.870 1.00 73.24 H new ATOM 0 HB3 GLU A 21 5.725 -0.613 2.582 1.00 73.24 H new ATOM 0 HG2 GLU A 21 8.146 -0.393 2.969 1.00 31.11 H new ATOM 0 HG3 GLU A 21 8.492 -0.841 1.310 1.00 31.11 H new ATOM 286 N TYR A 22 8.701 -3.398 2.839 1.00 13.12 N ATOM 287 CA TYR A 22 9.754 -3.710 3.790 1.00 31.14 C ATOM 288 C TYR A 22 11.022 -2.909 3.487 1.00 13.02 C ATOM 289 O TYR A 22 11.292 -2.581 2.333 1.00 60.21 O ATOM 290 CB TYR A 22 10.053 -5.200 3.615 1.00 75.33 C ATOM 291 CG TYR A 22 8.806 -6.088 3.605 1.00 3.25 C ATOM 292 CD1 TYR A 22 8.120 -6.302 2.427 1.00 3.23 C ATOM 293 CD2 TYR A 22 8.368 -6.674 4.775 1.00 21.45 C ATOM 294 CE1 TYR A 22 6.947 -7.137 2.419 1.00 63.14 C ATOM 295 CE2 TYR A 22 7.195 -7.510 4.767 1.00 41.42 C ATOM 296 CZ TYR A 22 6.543 -7.700 3.589 1.00 54.32 C ATOM 297 OH TYR A 22 5.435 -8.489 3.581 1.00 52.44 O ATOM 0 H TYR A 22 8.902 -3.667 1.876 1.00 13.12 H new ATOM 0 HA TYR A 22 9.440 -3.463 4.804 1.00 31.14 H new ATOM 0 HB2 TYR A 22 10.596 -5.344 2.681 1.00 75.33 H new ATOM 0 HB3 TYR A 22 10.712 -5.525 4.420 1.00 75.33 H new ATOM 0 HD1 TYR A 22 8.463 -5.843 1.511 1.00 3.23 H new ATOM 0 HD2 TYR A 22 8.905 -6.506 5.697 1.00 21.45 H new ATOM 0 HE1 TYR A 22 6.400 -7.312 1.504 1.00 63.14 H new ATOM 0 HE2 TYR A 22 6.842 -7.975 5.675 1.00 41.42 H new ATOM 0 HH TYR A 22 4.903 -8.315 4.386 1.00 52.44 H new ATOM 307 N LYS A 23 11.765 -2.617 4.544 1.00 4.30 N ATOM 308 CA LYS A 23 12.998 -1.860 4.405 1.00 22.15 C ATOM 309 C LYS A 23 14.190 -2.816 4.487 1.00 21.02 C ATOM 310 O LYS A 23 14.425 -3.433 5.525 1.00 64.22 O ATOM 311 CB LYS A 23 13.049 -0.725 5.431 1.00 74.45 C ATOM 312 CG LYS A 23 13.784 0.492 4.866 1.00 62.53 C ATOM 313 CD LYS A 23 14.406 1.326 5.987 1.00 34.15 C ATOM 314 CE LYS A 23 15.354 2.385 5.422 1.00 14.40 C ATOM 315 NZ LYS A 23 15.675 3.397 6.454 1.00 64.42 N ATOM 0 H LYS A 23 11.537 -2.891 5.500 1.00 4.30 H new ATOM 0 HA LYS A 23 13.041 -1.378 3.428 1.00 22.15 H new ATOM 0 HB2 LYS A 23 12.036 -0.442 5.716 1.00 74.45 H new ATOM 0 HB3 LYS A 23 13.550 -1.070 6.335 1.00 74.45 H new ATOM 0 HG2 LYS A 23 14.563 0.164 4.177 1.00 62.53 H new ATOM 0 HG3 LYS A 23 13.090 1.107 4.293 1.00 62.53 H new ATOM 0 HD2 LYS A 23 13.618 1.809 6.565 1.00 34.15 H new ATOM 0 HD3 LYS A 23 14.949 0.674 6.671 1.00 34.15 H new ATOM 0 HE2 LYS A 23 16.271 1.911 5.071 1.00 14.40 H new ATOM 0 HE3 LYS A 23 14.896 2.869 4.560 1.00 14.40 H new ATOM 0 HZ1 LYS A 23 16.320 4.108 6.054 1.00 64.42 H new ATOM 0 HZ2 LYS A 23 14.799 3.861 6.769 1.00 64.42 H new ATOM 0 HZ3 LYS A 23 16.132 2.933 7.265 1.00 64.42 H new ATOM 328 N LEU A 24 14.911 -2.909 3.379 1.00 14.52 N ATOM 329 CA LEU A 24 16.072 -3.779 3.312 1.00 3.24 C ATOM 330 C LEU A 24 17.339 -2.949 3.530 1.00 41.22 C ATOM 331 O LEU A 24 17.667 -2.086 2.717 1.00 64.12 O ATOM 332 CB LEU A 24 16.073 -4.571 2.004 1.00 65.42 C ATOM 333 CG LEU A 24 17.310 -5.434 1.743 1.00 42.41 C ATOM 334 CD1 LEU A 24 18.408 -4.622 1.052 1.00 23.45 C ATOM 335 CD2 LEU A 24 17.806 -6.086 3.035 1.00 61.32 C ATOM 0 H LEU A 24 14.713 -2.396 2.520 1.00 14.52 H new ATOM 0 HA LEU A 24 16.037 -4.523 4.108 1.00 3.24 H new ATOM 0 HB2 LEU A 24 15.195 -5.217 1.993 1.00 65.42 H new ATOM 0 HB3 LEU A 24 15.963 -3.869 1.177 1.00 65.42 H new ATOM 0 HG LEU A 24 17.029 -6.239 1.064 1.00 42.41 H new ATOM 0 HD11 LEU A 24 19.276 -5.258 0.878 1.00 23.45 H new ATOM 0 HD12 LEU A 24 18.037 -4.245 0.099 1.00 23.45 H new ATOM 0 HD13 LEU A 24 18.694 -3.783 1.687 1.00 23.45 H new ATOM 0 HD21 LEU A 24 18.685 -6.694 2.822 1.00 61.32 H new ATOM 0 HD22 LEU A 24 18.066 -5.312 3.757 1.00 61.32 H new ATOM 0 HD23 LEU A 24 17.020 -6.718 3.449 1.00 61.32 H new ATOM 347 N ILE A 25 18.016 -3.239 4.631 1.00 44.21 N ATOM 348 CA ILE A 25 19.240 -2.530 4.966 1.00 50.05 C ATOM 349 C ILE A 25 20.416 -3.509 4.936 1.00 54.45 C ATOM 350 O ILE A 25 20.409 -4.514 5.644 1.00 4.13 O ATOM 351 CB ILE A 25 19.086 -1.795 6.298 1.00 12.43 C ATOM 352 CG1 ILE A 25 17.992 -0.728 6.213 1.00 45.45 C ATOM 353 CG2 ILE A 25 20.422 -1.210 6.760 1.00 43.03 C ATOM 354 CD1 ILE A 25 17.299 -0.543 7.564 1.00 43.11 C ATOM 0 H ILE A 25 17.741 -3.955 5.303 1.00 44.21 H new ATOM 0 HA ILE A 25 19.448 -1.758 4.225 1.00 50.05 H new ATOM 0 HB ILE A 25 18.773 -2.518 7.052 1.00 12.43 H new ATOM 0 HG12 ILE A 25 18.427 0.218 5.891 1.00 45.45 H new ATOM 0 HG13 ILE A 25 17.258 -1.014 5.460 1.00 45.45 H new ATOM 0 HG21 ILE A 25 20.284 -0.693 7.709 1.00 43.03 H new ATOM 0 HG22 ILE A 25 21.147 -2.014 6.887 1.00 43.03 H new ATOM 0 HG23 ILE A 25 20.789 -0.506 6.013 1.00 43.03 H new ATOM 0 HD11 ILE A 25 16.526 0.221 7.475 1.00 43.11 H new ATOM 0 HD12 ILE A 25 16.845 -1.485 7.872 1.00 43.11 H new ATOM 0 HD13 ILE A 25 18.032 -0.233 8.309 1.00 43.11 H new ATOM 366 N LEU A 26 21.397 -3.180 4.108 1.00 75.23 N ATOM 367 CA LEU A 26 22.577 -4.018 3.976 1.00 54.30 C ATOM 368 C LEU A 26 23.778 -3.300 4.594 1.00 11.42 C ATOM 369 O LEU A 26 24.252 -2.300 4.057 1.00 41.03 O ATOM 370 CB LEU A 26 22.787 -4.422 2.515 1.00 14.23 C ATOM 371 CG LEU A 26 21.521 -4.757 1.723 1.00 10.44 C ATOM 372 CD1 LEU A 26 21.065 -3.559 0.887 1.00 32.42 C ATOM 373 CD2 LEU A 26 21.724 -6.009 0.868 1.00 4.13 C ATOM 0 H LEU A 26 21.399 -2.345 3.522 1.00 75.23 H new ATOM 0 HA LEU A 26 22.445 -4.951 4.524 1.00 54.30 H new ATOM 0 HB2 LEU A 26 23.306 -3.610 2.005 1.00 14.23 H new ATOM 0 HB3 LEU A 26 23.448 -5.289 2.490 1.00 14.23 H new ATOM 0 HG LEU A 26 20.723 -4.978 2.432 1.00 10.44 H new ATOM 0 HD11 LEU A 26 20.164 -3.823 0.334 1.00 32.42 H new ATOM 0 HD12 LEU A 26 20.853 -2.716 1.545 1.00 32.42 H new ATOM 0 HD13 LEU A 26 21.853 -3.283 0.186 1.00 32.42 H new ATOM 0 HD21 LEU A 26 20.809 -6.225 0.316 1.00 4.13 H new ATOM 0 HD22 LEU A 26 22.541 -5.842 0.166 1.00 4.13 H new ATOM 0 HD23 LEU A 26 21.967 -6.854 1.512 1.00 4.13 H new ATOM 385 N ASN A 27 24.236 -3.837 5.715 1.00 34.32 N ATOM 386 CA ASN A 27 25.372 -3.260 6.412 1.00 24.34 C ATOM 387 C ASN A 27 26.610 -4.125 6.164 1.00 32.44 C ATOM 388 O ASN A 27 26.781 -5.166 6.798 1.00 45.40 O ATOM 389 CB ASN A 27 25.125 -3.210 7.921 1.00 5.04 C ATOM 390 CG ASN A 27 24.643 -1.823 8.352 1.00 21.41 C ATOM 391 OD1 ASN A 27 25.225 -0.804 8.020 1.00 65.12 O ATOM 392 ND2 ASN A 27 23.549 -1.842 9.108 1.00 3.14 N ATOM 0 H ASN A 27 23.840 -4.666 6.158 1.00 34.32 H new ATOM 0 HA ASN A 27 25.519 -2.247 6.037 1.00 24.34 H new ATOM 0 HB2 ASN A 27 24.382 -3.959 8.197 1.00 5.04 H new ATOM 0 HB3 ASN A 27 26.043 -3.461 8.452 1.00 5.04 H new ATOM 0 HD21 ASN A 27 23.148 -0.967 9.447 1.00 3.14 H new ATOM 0 HD22 ASN A 27 23.111 -2.731 9.349 1.00 3.14 H new ATOM 399 N GLY A 28 27.440 -3.663 5.241 1.00 22.32 N ATOM 400 CA GLY A 28 28.657 -4.382 4.902 1.00 53.23 C ATOM 401 C GLY A 28 29.850 -3.428 4.811 1.00 54.03 C ATOM 402 O GLY A 28 29.673 -2.219 4.673 1.00 12.52 O ATOM 0 H GLY A 28 27.294 -2.800 4.717 1.00 22.32 H new ATOM 0 HA2 GLY A 28 28.854 -5.146 5.654 1.00 53.23 H new ATOM 0 HA3 GLY A 28 28.526 -4.898 3.951 1.00 53.23 H new ATOM 406 N LYS A 29 31.038 -4.008 4.891 1.00 31.41 N ATOM 407 CA LYS A 29 32.260 -3.225 4.820 1.00 73.14 C ATOM 408 C LYS A 29 32.491 -2.780 3.374 1.00 0.12 C ATOM 409 O LYS A 29 32.966 -1.672 3.131 1.00 43.23 O ATOM 410 CB LYS A 29 33.432 -4.005 5.418 1.00 60.21 C ATOM 411 CG LYS A 29 33.055 -4.608 6.773 1.00 71.13 C ATOM 412 CD LYS A 29 32.862 -3.514 7.825 1.00 73.31 C ATOM 413 CE LYS A 29 31.680 -3.838 8.741 1.00 11.32 C ATOM 414 NZ LYS A 29 32.158 -4.219 10.089 1.00 62.42 N ATOM 0 H LYS A 29 31.181 -5.012 5.004 1.00 31.41 H new ATOM 0 HA LYS A 29 32.169 -2.321 5.422 1.00 73.14 H new ATOM 0 HB2 LYS A 29 33.732 -4.799 4.734 1.00 60.21 H new ATOM 0 HB3 LYS A 29 34.291 -3.344 5.536 1.00 60.21 H new ATOM 0 HG2 LYS A 29 32.138 -5.188 6.674 1.00 71.13 H new ATOM 0 HG3 LYS A 29 33.835 -5.297 7.098 1.00 71.13 H new ATOM 0 HD2 LYS A 29 33.770 -3.411 8.419 1.00 73.31 H new ATOM 0 HD3 LYS A 29 32.693 -2.556 7.333 1.00 73.31 H new ATOM 0 HE2 LYS A 29 31.021 -2.973 8.814 1.00 11.32 H new ATOM 0 HE3 LYS A 29 31.093 -4.651 8.314 1.00 11.32 H new ATOM 0 HZ1 LYS A 29 31.343 -4.436 10.698 1.00 62.42 H new ATOM 0 HZ2 LYS A 29 32.769 -5.058 10.017 1.00 62.42 H new ATOM 0 HZ3 LYS A 29 32.698 -3.432 10.501 1.00 62.42 H new ATOM 427 N THR A 30 32.144 -3.667 2.453 1.00 42.41 N ATOM 428 CA THR A 30 32.308 -3.379 1.038 1.00 1.10 C ATOM 429 C THR A 30 30.965 -2.998 0.412 1.00 10.03 C ATOM 430 O THR A 30 30.924 -2.320 -0.613 1.00 71.24 O ATOM 431 CB THR A 30 32.961 -4.596 0.381 1.00 63.24 C ATOM 432 OG1 THR A 30 33.235 -4.167 -0.950 1.00 42.12 O ATOM 433 CG2 THR A 30 31.984 -5.760 0.203 1.00 65.41 C ATOM 0 H THR A 30 31.750 -4.585 2.659 1.00 42.41 H new ATOM 0 HA THR A 30 32.959 -2.519 0.882 1.00 1.10 H new ATOM 0 HB THR A 30 33.809 -4.922 0.984 1.00 63.24 H new ATOM 0 HG1 THR A 30 33.661 -4.896 -1.447 1.00 42.12 H new ATOM 0 HG21 THR A 30 32.498 -6.598 -0.268 1.00 65.41 H new ATOM 0 HG22 THR A 30 31.604 -6.068 1.177 1.00 65.41 H new ATOM 0 HG23 THR A 30 31.153 -5.444 -0.427 1.00 65.41 H new ATOM 441 N LEU A 31 29.899 -3.450 1.056 1.00 60.40 N ATOM 442 CA LEU A 31 28.558 -3.166 0.575 1.00 14.54 C ATOM 443 C LEU A 31 27.707 -2.638 1.733 1.00 62.13 C ATOM 444 O LEU A 31 27.288 -3.404 2.599 1.00 20.01 O ATOM 445 CB LEU A 31 27.963 -4.395 -0.114 1.00 61.21 C ATOM 446 CG LEU A 31 27.142 -4.125 -1.377 1.00 3.12 C ATOM 447 CD1 LEU A 31 26.391 -2.796 -1.269 1.00 23.45 C ATOM 448 CD2 LEU A 31 28.023 -4.185 -2.627 1.00 32.45 C ATOM 0 H LEU A 31 29.937 -4.011 1.907 1.00 60.40 H new ATOM 0 HA LEU A 31 28.584 -2.385 -0.185 1.00 14.54 H new ATOM 0 HB2 LEU A 31 28.777 -5.072 -0.372 1.00 61.21 H new ATOM 0 HB3 LEU A 31 27.329 -4.917 0.603 1.00 61.21 H new ATOM 0 HG LEU A 31 26.393 -4.912 -1.472 1.00 3.12 H new ATOM 0 HD11 LEU A 31 25.816 -2.628 -2.179 1.00 23.45 H new ATOM 0 HD12 LEU A 31 25.716 -2.828 -0.414 1.00 23.45 H new ATOM 0 HD13 LEU A 31 27.106 -1.984 -1.137 1.00 23.45 H new ATOM 0 HD21 LEU A 31 27.415 -3.990 -3.510 1.00 32.45 H new ATOM 0 HD22 LEU A 31 28.809 -3.434 -2.554 1.00 32.45 H new ATOM 0 HD23 LEU A 31 28.473 -5.174 -2.708 1.00 32.45 H new ATOM 460 N LYS A 32 27.478 -1.333 1.710 1.00 73.43 N ATOM 461 CA LYS A 32 26.685 -0.695 2.746 1.00 12.43 C ATOM 462 C LYS A 32 25.674 0.253 2.098 1.00 50.32 C ATOM 463 O LYS A 32 26.052 1.150 1.346 1.00 45.21 O ATOM 464 CB LYS A 32 27.593 -0.016 3.774 1.00 50.13 C ATOM 465 CG LYS A 32 28.885 0.479 3.121 1.00 42.10 C ATOM 466 CD LYS A 32 29.859 1.017 4.171 1.00 30.04 C ATOM 467 CE LYS A 32 31.310 0.790 3.742 1.00 74.43 C ATOM 468 NZ LYS A 32 32.186 1.845 4.297 1.00 41.13 N ATOM 0 H LYS A 32 27.828 -0.701 0.990 1.00 73.43 H new ATOM 0 HA LYS A 32 26.114 -1.439 3.301 1.00 12.43 H new ATOM 0 HB2 LYS A 32 27.068 0.823 4.231 1.00 50.13 H new ATOM 0 HB3 LYS A 32 27.831 -0.717 4.574 1.00 50.13 H new ATOM 0 HG2 LYS A 32 29.353 -0.336 2.569 1.00 42.10 H new ATOM 0 HG3 LYS A 32 28.655 1.262 2.398 1.00 42.10 H new ATOM 0 HD2 LYS A 32 29.684 2.082 4.323 1.00 30.04 H new ATOM 0 HD3 LYS A 32 29.677 0.525 5.126 1.00 30.04 H new ATOM 0 HE2 LYS A 32 31.648 -0.188 4.084 1.00 74.43 H new ATOM 0 HE3 LYS A 32 31.378 0.788 2.654 1.00 74.43 H new ATOM 0 HZ1 LYS A 32 33.167 1.676 3.996 1.00 41.13 H new ATOM 0 HZ2 LYS A 32 31.873 2.774 3.950 1.00 41.13 H new ATOM 0 HZ3 LYS A 32 32.135 1.828 5.336 1.00 41.13 H new ATOM 481 N GLY A 33 24.408 0.022 2.413 1.00 51.34 N ATOM 482 CA GLY A 33 23.340 0.844 1.870 1.00 52.41 C ATOM 483 C GLY A 33 21.978 0.398 2.406 1.00 0.32 C ATOM 484 O GLY A 33 21.899 -0.511 3.231 1.00 62.03 O ATOM 0 H GLY A 33 24.098 -0.723 3.037 1.00 51.34 H new ATOM 0 HA2 GLY A 33 23.513 1.889 2.129 1.00 52.41 H new ATOM 0 HA3 GLY A 33 23.345 0.781 0.782 1.00 52.41 H new ATOM 488 N GLU A 34 20.939 1.059 1.916 1.00 5.12 N ATOM 489 CA GLU A 34 19.585 0.742 2.336 1.00 50.01 C ATOM 490 C GLU A 34 18.642 0.743 1.131 1.00 11.51 C ATOM 491 O GLU A 34 19.016 1.185 0.046 1.00 65.43 O ATOM 492 CB GLU A 34 19.102 1.717 3.411 1.00 32.04 C ATOM 493 CG GLU A 34 18.671 3.048 2.792 1.00 62.14 C ATOM 494 CD GLU A 34 18.979 4.215 3.732 1.00 54.44 C ATOM 495 OE1 GLU A 34 19.653 4.026 4.755 1.00 40.42 O ATOM 496 OE2 GLU A 34 18.490 5.352 3.367 1.00 45.34 O ATOM 0 H GLU A 34 21.008 1.813 1.232 1.00 5.12 H new ATOM 0 HA GLU A 34 19.585 -0.257 2.772 1.00 50.01 H new ATOM 0 HB2 GLU A 34 18.266 1.278 3.956 1.00 32.04 H new ATOM 0 HB3 GLU A 34 19.899 1.890 4.135 1.00 32.04 H new ATOM 0 HG2 GLU A 34 19.186 3.195 1.843 1.00 62.14 H new ATOM 0 HG3 GLU A 34 17.603 3.023 2.575 1.00 62.14 H new ATOM 504 N THR A 35 17.436 0.245 1.363 1.00 65.11 N ATOM 505 CA THR A 35 16.437 0.183 0.310 1.00 10.10 C ATOM 506 C THR A 35 15.123 -0.379 0.855 1.00 75.01 C ATOM 507 O THR A 35 15.029 -0.715 2.034 1.00 34.43 O ATOM 508 CB THR A 35 17.016 -0.637 -0.844 1.00 44.14 C ATOM 509 OG1 THR A 35 15.911 -0.828 -1.724 1.00 4.43 O ATOM 510 CG2 THR A 35 17.403 -2.055 -0.419 1.00 41.11 C ATOM 0 H THR A 35 17.128 -0.119 2.265 1.00 65.11 H new ATOM 0 HA THR A 35 16.198 1.177 -0.067 1.00 10.10 H new ATOM 0 HB THR A 35 17.891 -0.127 -1.247 1.00 44.14 H new ATOM 0 HG1 THR A 35 15.728 0.006 -2.205 1.00 4.43 H new ATOM 0 HG21 THR A 35 17.808 -2.594 -1.276 1.00 41.11 H new ATOM 0 HG22 THR A 35 18.155 -2.006 0.368 1.00 41.11 H new ATOM 0 HG23 THR A 35 16.521 -2.577 -0.046 1.00 41.11 H new ATOM 518 N THR A 36 14.140 -0.464 -0.030 1.00 42.51 N ATOM 519 CA THR A 36 12.835 -0.979 0.347 1.00 21.13 C ATOM 520 C THR A 36 12.200 -1.732 -0.823 1.00 65.43 C ATOM 521 O THR A 36 12.547 -1.496 -1.980 1.00 1.35 O ATOM 522 CB THR A 36 11.989 0.194 0.845 1.00 1.41 C ATOM 523 OG1 THR A 36 11.578 0.857 -0.348 1.00 21.32 O ATOM 524 CG2 THR A 36 12.821 1.243 1.586 1.00 11.30 C ATOM 0 H THR A 36 14.222 -0.185 -1.008 1.00 42.51 H new ATOM 0 HA THR A 36 12.916 -1.706 1.155 1.00 21.13 H new ATOM 0 HB THR A 36 11.204 -0.179 1.503 1.00 1.41 H new ATOM 0 HG1 THR A 36 11.022 1.631 -0.117 1.00 21.32 H new ATOM 0 HG21 THR A 36 12.172 2.054 1.918 1.00 11.30 H new ATOM 0 HG22 THR A 36 13.299 0.783 2.451 1.00 11.30 H new ATOM 0 HG23 THR A 36 13.585 1.640 0.917 1.00 11.30 H new ATOM 532 N THR A 37 11.282 -2.625 -0.483 1.00 10.50 N ATOM 533 CA THR A 37 10.596 -3.414 -1.491 1.00 74.14 C ATOM 534 C THR A 37 9.156 -3.697 -1.058 1.00 52.24 C ATOM 535 O THR A 37 8.862 -3.751 0.135 1.00 53.53 O ATOM 536 CB THR A 37 11.416 -4.682 -1.738 1.00 51.35 C ATOM 537 OG1 THR A 37 10.737 -5.332 -2.809 1.00 54.43 O ATOM 538 CG2 THR A 37 11.321 -5.676 -0.579 1.00 41.32 C ATOM 0 H THR A 37 10.998 -2.819 0.477 1.00 10.50 H new ATOM 0 HA THR A 37 10.518 -2.871 -2.433 1.00 74.14 H new ATOM 0 HB THR A 37 12.460 -4.413 -1.901 1.00 51.35 H new ATOM 0 HG1 THR A 37 10.987 -6.279 -2.828 1.00 54.43 H new ATOM 0 HG21 THR A 37 11.921 -6.557 -0.806 1.00 41.32 H new ATOM 0 HG22 THR A 37 11.693 -5.208 0.333 1.00 41.32 H new ATOM 0 HG23 THR A 37 10.281 -5.971 -0.437 1.00 41.32 H new ATOM 546 N CYS A 38 8.296 -3.870 -2.052 1.00 22.13 N ATOM 547 CA CYS A 38 6.894 -4.146 -1.788 1.00 41.05 C ATOM 548 C CYS A 38 6.597 -5.582 -2.224 1.00 23.44 C ATOM 549 O CYS A 38 6.998 -6.002 -3.308 1.00 45.31 O ATOM 550 CB CYS A 38 5.979 -3.138 -2.486 1.00 13.43 C ATOM 551 SG CYS A 38 5.896 -1.494 -1.685 1.00 65.20 S ATOM 0 H CYS A 38 8.543 -3.824 -3.041 1.00 22.13 H new ATOM 0 HA CYS A 38 6.695 -4.042 -0.721 1.00 41.05 H new ATOM 0 HB2 CYS A 38 6.320 -3.009 -3.513 1.00 13.43 H new ATOM 0 HB3 CYS A 38 4.973 -3.554 -2.534 1.00 13.43 H new ATOM 556 N ALA A 39 5.897 -6.297 -1.355 1.00 72.13 N ATOM 557 CA ALA A 39 5.542 -7.678 -1.636 1.00 55.34 C ATOM 558 C ALA A 39 4.181 -7.988 -1.008 1.00 44.21 C ATOM 559 O ALA A 39 3.852 -7.467 0.056 1.00 1.14 O ATOM 560 CB ALA A 39 6.646 -8.604 -1.123 1.00 12.22 C ATOM 0 H ALA A 39 5.566 -5.946 -0.456 1.00 72.13 H new ATOM 0 HA ALA A 39 5.454 -7.841 -2.710 1.00 55.34 H new ATOM 0 HB1 ALA A 39 6.379 -9.640 -1.334 1.00 12.22 H new ATOM 0 HB2 ALA A 39 7.585 -8.362 -1.622 1.00 12.22 H new ATOM 0 HB3 ALA A 39 6.762 -8.471 -0.047 1.00 12.22 H new ATOM 566 N VAL A 40 3.428 -8.835 -1.694 1.00 0.02 N ATOM 567 CA VAL A 40 2.111 -9.221 -1.216 1.00 40.32 C ATOM 568 C VAL A 40 2.260 -10.063 0.052 1.00 12.04 C ATOM 569 O VAL A 40 1.427 -9.986 0.954 1.00 75.40 O ATOM 570 CB VAL A 40 1.342 -9.942 -2.326 1.00 5.54 C ATOM 571 CG1 VAL A 40 0.795 -8.945 -3.349 1.00 73.34 C ATOM 572 CG2 VAL A 40 2.218 -10.998 -3.002 1.00 45.33 C ATOM 0 H VAL A 40 3.704 -9.265 -2.577 1.00 0.02 H new ATOM 0 HA VAL A 40 1.526 -8.339 -0.954 1.00 40.32 H new ATOM 0 HB VAL A 40 0.494 -10.453 -1.870 1.00 5.54 H new ATOM 0 HG11 VAL A 40 0.253 -9.483 -4.127 1.00 73.34 H new ATOM 0 HG12 VAL A 40 0.120 -8.247 -2.853 1.00 73.34 H new ATOM 0 HG13 VAL A 40 1.621 -8.394 -3.797 1.00 73.34 H new ATOM 0 HG21 VAL A 40 1.648 -11.496 -3.787 1.00 45.33 H new ATOM 0 HG22 VAL A 40 3.094 -10.519 -3.438 1.00 45.33 H new ATOM 0 HG23 VAL A 40 2.537 -11.733 -2.263 1.00 45.33 H new ATOM 582 N ASP A 41 3.327 -10.847 0.082 1.00 62.43 N ATOM 583 CA ASP A 41 3.596 -11.703 1.225 1.00 71.11 C ATOM 584 C ASP A 41 5.073 -11.589 1.606 1.00 43.11 C ATOM 585 O ASP A 41 5.934 -11.465 0.736 1.00 25.54 O ATOM 586 CB ASP A 41 3.304 -13.169 0.896 1.00 3.34 C ATOM 587 CG ASP A 41 1.839 -13.483 0.586 1.00 4.23 C ATOM 588 OD1 ASP A 41 1.472 -13.737 -0.570 1.00 73.13 O ATOM 589 OD2 ASP A 41 1.049 -13.459 1.606 1.00 62.23 O ATOM 0 H ASP A 41 4.016 -10.908 -0.667 1.00 62.43 H new ATOM 0 HA ASP A 41 2.953 -11.382 2.045 1.00 71.11 H new ATOM 0 HB2 ASP A 41 3.912 -13.461 0.040 1.00 3.34 H new ATOM 0 HB3 ASP A 41 3.622 -13.785 1.737 1.00 3.34 H new ATOM 595 N ALA A 42 5.321 -11.634 2.907 1.00 61.14 N ATOM 596 CA ALA A 42 6.679 -11.537 3.413 1.00 25.24 C ATOM 597 C ALA A 42 7.523 -12.665 2.817 1.00 65.31 C ATOM 598 O ALA A 42 8.747 -12.562 2.751 1.00 4.32 O ATOM 599 CB ALA A 42 6.658 -11.572 4.943 1.00 54.41 C ATOM 0 H ALA A 42 4.604 -11.736 3.625 1.00 61.14 H new ATOM 0 HA ALA A 42 7.133 -10.592 3.114 1.00 25.24 H new ATOM 0 HB1 ALA A 42 7.677 -11.499 5.323 1.00 54.41 H new ATOM 0 HB2 ALA A 42 6.070 -10.734 5.318 1.00 54.41 H new ATOM 0 HB3 ALA A 42 6.211 -12.508 5.279 1.00 54.41 H new ATOM 605 N ALA A 43 6.836 -13.717 2.397 1.00 31.21 N ATOM 606 CA ALA A 43 7.507 -14.864 1.808 1.00 11.42 C ATOM 607 C ALA A 43 8.122 -14.456 0.468 1.00 75.03 C ATOM 608 O ALA A 43 9.244 -14.848 0.151 1.00 54.44 O ATOM 609 CB ALA A 43 6.514 -16.019 1.667 1.00 24.43 C ATOM 0 H ALA A 43 5.821 -13.799 2.453 1.00 31.21 H new ATOM 0 HA ALA A 43 8.317 -15.208 2.451 1.00 11.42 H new ATOM 0 HB1 ALA A 43 7.017 -16.879 1.225 1.00 24.43 H new ATOM 0 HB2 ALA A 43 6.128 -16.289 2.650 1.00 24.43 H new ATOM 0 HB3 ALA A 43 5.688 -15.712 1.025 1.00 24.43 H new ATOM 615 N THR A 44 7.359 -13.675 -0.283 1.00 42.14 N ATOM 616 CA THR A 44 7.815 -13.210 -1.583 1.00 32.15 C ATOM 617 C THR A 44 8.894 -12.139 -1.417 1.00 43.40 C ATOM 618 O THR A 44 9.893 -12.142 -2.135 1.00 20.41 O ATOM 619 CB THR A 44 6.593 -12.726 -2.366 1.00 64.05 C ATOM 620 OG1 THR A 44 6.031 -13.920 -2.904 1.00 53.32 O ATOM 621 CG2 THR A 44 6.977 -11.906 -3.600 1.00 74.12 C ATOM 0 H THR A 44 6.429 -13.353 -0.017 1.00 42.14 H new ATOM 0 HA THR A 44 8.284 -14.014 -2.149 1.00 32.15 H new ATOM 0 HB THR A 44 5.958 -12.126 -1.714 1.00 64.05 H new ATOM 0 HG1 THR A 44 5.232 -13.699 -3.426 1.00 53.32 H new ATOM 0 HG21 THR A 44 6.074 -11.587 -4.120 1.00 74.12 H new ATOM 0 HG22 THR A 44 7.547 -11.030 -3.292 1.00 74.12 H new ATOM 0 HG23 THR A 44 7.584 -12.517 -4.268 1.00 74.12 H new ATOM 629 N ALA A 45 8.657 -11.247 -0.466 1.00 53.25 N ATOM 630 CA ALA A 45 9.596 -10.171 -0.197 1.00 63.44 C ATOM 631 C ALA A 45 10.907 -10.764 0.325 1.00 52.23 C ATOM 632 O ALA A 45 11.986 -10.263 0.013 1.00 62.23 O ATOM 633 CB ALA A 45 8.971 -9.181 0.787 1.00 32.31 C ATOM 0 H ALA A 45 7.828 -11.248 0.128 1.00 53.25 H new ATOM 0 HA ALA A 45 9.823 -9.622 -1.111 1.00 63.44 H new ATOM 0 HB1 ALA A 45 9.676 -8.374 0.988 1.00 32.31 H new ATOM 0 HB2 ALA A 45 8.059 -8.767 0.357 1.00 32.31 H new ATOM 0 HB3 ALA A 45 8.732 -9.695 1.718 1.00 32.31 H new ATOM 639 N GLU A 46 10.769 -11.821 1.111 1.00 62.54 N ATOM 640 CA GLU A 46 11.929 -12.487 1.679 1.00 31.31 C ATOM 641 C GLU A 46 12.874 -12.949 0.568 1.00 75.43 C ATOM 642 O GLU A 46 14.092 -12.931 0.736 1.00 12.11 O ATOM 643 CB GLU A 46 11.508 -13.662 2.564 1.00 34.01 C ATOM 644 CG GLU A 46 12.726 -14.464 3.028 1.00 54.24 C ATOM 645 CD GLU A 46 12.345 -15.448 4.135 1.00 33.40 C ATOM 646 OE1 GLU A 46 11.703 -15.055 5.121 1.00 60.25 O ATOM 647 OE2 GLU A 46 12.738 -16.662 3.945 1.00 65.03 O ATOM 0 H GLU A 46 9.872 -12.233 1.368 1.00 62.54 H new ATOM 0 HA GLU A 46 12.461 -11.773 2.308 1.00 31.31 H new ATOM 0 HB2 GLU A 46 10.961 -13.291 3.431 1.00 34.01 H new ATOM 0 HB3 GLU A 46 10.829 -14.312 2.012 1.00 34.01 H new ATOM 0 HG2 GLU A 46 13.151 -15.007 2.184 1.00 54.24 H new ATOM 0 HG3 GLU A 46 13.497 -13.784 3.390 1.00 54.24 H new ATOM 655 N LYS A 47 12.276 -13.353 -0.544 1.00 14.14 N ATOM 656 CA LYS A 47 13.048 -13.819 -1.682 1.00 44.15 C ATOM 657 C LYS A 47 13.847 -12.651 -2.264 1.00 2.43 C ATOM 658 O LYS A 47 14.999 -12.818 -2.661 1.00 23.34 O ATOM 659 CB LYS A 47 12.139 -14.509 -2.701 1.00 13.00 C ATOM 660 CG LYS A 47 10.993 -15.244 -2.003 1.00 74.10 C ATOM 661 CD LYS A 47 10.483 -16.405 -2.860 1.00 4.21 C ATOM 662 CE LYS A 47 10.455 -16.022 -4.341 1.00 2.21 C ATOM 663 NZ LYS A 47 9.703 -17.029 -5.122 1.00 51.23 N ATOM 0 H LYS A 47 11.265 -13.367 -0.680 1.00 14.14 H new ATOM 0 HA LYS A 47 13.768 -14.575 -1.369 1.00 44.15 H new ATOM 0 HB2 LYS A 47 11.734 -13.770 -3.392 1.00 13.00 H new ATOM 0 HB3 LYS A 47 12.721 -15.215 -3.294 1.00 13.00 H new ATOM 0 HG2 LYS A 47 11.332 -15.621 -1.038 1.00 74.10 H new ATOM 0 HG3 LYS A 47 10.178 -14.548 -1.804 1.00 74.10 H new ATOM 0 HD2 LYS A 47 11.123 -17.275 -2.718 1.00 4.21 H new ATOM 0 HD3 LYS A 47 9.482 -16.689 -2.535 1.00 4.21 H new ATOM 0 HE2 LYS A 47 9.994 -15.042 -4.461 1.00 2.21 H new ATOM 0 HE3 LYS A 47 11.473 -15.944 -4.722 1.00 2.21 H new ATOM 0 HZ1 LYS A 47 9.693 -16.754 -6.125 1.00 51.23 H new ATOM 0 HZ2 LYS A 47 10.160 -17.958 -5.022 1.00 51.23 H new ATOM 0 HZ3 LYS A 47 8.726 -17.084 -4.769 1.00 51.23 H new ATOM 676 N VAL A 48 13.204 -11.493 -2.295 1.00 54.03 N ATOM 677 CA VAL A 48 13.840 -10.297 -2.821 1.00 73.23 C ATOM 678 C VAL A 48 14.936 -9.841 -1.856 1.00 61.53 C ATOM 679 O VAL A 48 16.005 -9.409 -2.285 1.00 12.10 O ATOM 680 CB VAL A 48 12.788 -9.217 -3.084 1.00 60.41 C ATOM 681 CG1 VAL A 48 13.431 -7.956 -3.664 1.00 55.04 C ATOM 682 CG2 VAL A 48 11.682 -9.741 -4.002 1.00 72.51 C ATOM 0 H VAL A 48 12.249 -11.357 -1.964 1.00 54.03 H new ATOM 0 HA VAL A 48 14.317 -10.508 -3.778 1.00 73.23 H new ATOM 0 HB VAL A 48 12.333 -8.952 -2.129 1.00 60.41 H new ATOM 0 HG11 VAL A 48 12.662 -7.204 -3.842 1.00 55.04 H new ATOM 0 HG12 VAL A 48 14.165 -7.565 -2.959 1.00 55.04 H new ATOM 0 HG13 VAL A 48 13.925 -8.199 -4.605 1.00 55.04 H new ATOM 0 HG21 VAL A 48 10.948 -8.954 -4.173 1.00 72.51 H new ATOM 0 HG22 VAL A 48 12.114 -10.047 -4.955 1.00 72.51 H new ATOM 0 HG23 VAL A 48 11.195 -10.596 -3.533 1.00 72.51 H new ATOM 692 N PHE A 49 14.633 -9.954 -0.571 1.00 64.14 N ATOM 693 CA PHE A 49 15.580 -9.559 0.458 1.00 71.11 C ATOM 694 C PHE A 49 16.798 -10.485 0.467 1.00 42.40 C ATOM 695 O PHE A 49 17.929 -10.026 0.618 1.00 25.13 O ATOM 696 CB PHE A 49 14.855 -9.676 1.800 1.00 23.13 C ATOM 697 CG PHE A 49 15.787 -9.661 3.014 1.00 42.42 C ATOM 698 CD1 PHE A 49 16.960 -8.975 2.961 1.00 4.35 C ATOM 699 CD2 PHE A 49 15.442 -10.333 4.145 1.00 42.42 C ATOM 700 CE1 PHE A 49 17.825 -8.960 4.088 1.00 62.23 C ATOM 701 CE2 PHE A 49 16.307 -10.318 5.271 1.00 60.11 C ATOM 702 CZ PHE A 49 17.480 -9.632 5.219 1.00 62.33 C ATOM 0 H PHE A 49 13.746 -10.313 -0.219 1.00 64.14 H new ATOM 0 HA PHE A 49 15.931 -8.544 0.272 1.00 71.11 H new ATOM 0 HB2 PHE A 49 14.144 -8.855 1.890 1.00 23.13 H new ATOM 0 HB3 PHE A 49 14.277 -10.600 1.810 1.00 23.13 H new ATOM 0 HD1 PHE A 49 17.234 -8.442 2.063 1.00 4.35 H new ATOM 0 HD2 PHE A 49 14.510 -10.878 4.187 1.00 42.42 H new ATOM 0 HE1 PHE A 49 18.756 -8.415 4.047 1.00 62.23 H new ATOM 0 HE2 PHE A 49 16.033 -10.852 6.169 1.00 60.11 H new ATOM 0 HZ PHE A 49 18.138 -9.621 6.076 1.00 62.33 H new ATOM 712 N LYS A 50 16.525 -11.771 0.303 1.00 5.21 N ATOM 713 CA LYS A 50 17.585 -12.765 0.290 1.00 2.24 C ATOM 714 C LYS A 50 18.379 -12.641 -1.012 1.00 32.51 C ATOM 715 O LYS A 50 19.587 -12.869 -1.030 1.00 45.14 O ATOM 716 CB LYS A 50 17.012 -14.163 0.531 1.00 54.30 C ATOM 717 CG LYS A 50 16.193 -14.204 1.823 1.00 72.41 C ATOM 718 CD LYS A 50 17.032 -14.735 2.987 1.00 50.00 C ATOM 719 CE LYS A 50 16.570 -14.133 4.315 1.00 13.33 C ATOM 720 NZ LYS A 50 16.858 -15.059 5.433 1.00 63.33 N ATOM 0 H LYS A 50 15.585 -12.148 0.178 1.00 5.21 H new ATOM 0 HA LYS A 50 18.284 -12.587 1.108 1.00 2.24 H new ATOM 0 HB2 LYS A 50 16.384 -14.453 -0.311 1.00 54.30 H new ATOM 0 HB3 LYS A 50 17.824 -14.888 0.588 1.00 54.30 H new ATOM 0 HG2 LYS A 50 15.829 -13.204 2.059 1.00 72.41 H new ATOM 0 HG3 LYS A 50 15.317 -14.837 1.683 1.00 72.41 H new ATOM 0 HD2 LYS A 50 16.955 -15.821 3.030 1.00 50.00 H new ATOM 0 HD3 LYS A 50 18.083 -14.496 2.821 1.00 50.00 H new ATOM 0 HE2 LYS A 50 17.074 -13.181 4.484 1.00 13.33 H new ATOM 0 HE3 LYS A 50 15.501 -13.925 4.274 1.00 13.33 H new ATOM 0 HZ1 LYS A 50 16.538 -14.634 6.327 1.00 63.33 H new ATOM 0 HZ2 LYS A 50 16.357 -15.957 5.278 1.00 63.33 H new ATOM 0 HZ3 LYS A 50 17.882 -15.237 5.481 1.00 63.33 H new ATOM 733 N GLN A 51 17.667 -12.282 -2.070 1.00 14.45 N ATOM 734 CA GLN A 51 18.289 -12.125 -3.373 1.00 63.31 C ATOM 735 C GLN A 51 19.176 -10.878 -3.392 1.00 34.41 C ATOM 736 O GLN A 51 20.175 -10.834 -4.107 1.00 5.11 O ATOM 737 CB GLN A 51 17.235 -12.066 -4.481 1.00 3.55 C ATOM 738 CG GLN A 51 17.872 -12.281 -5.855 1.00 54.12 C ATOM 739 CD GLN A 51 18.490 -13.677 -5.961 1.00 14.43 C ATOM 740 OE1 GLN A 51 19.646 -13.847 -6.312 1.00 14.13 O ATOM 741 NE2 GLN A 51 17.657 -14.663 -5.638 1.00 44.40 N ATOM 0 H GLN A 51 16.664 -12.095 -2.051 1.00 14.45 H new ATOM 0 HA GLN A 51 18.917 -12.996 -3.561 1.00 63.31 H new ATOM 0 HB2 GLN A 51 16.475 -12.827 -4.306 1.00 3.55 H new ATOM 0 HB3 GLN A 51 16.731 -11.100 -4.457 1.00 3.55 H new ATOM 0 HG2 GLN A 51 17.119 -12.153 -6.633 1.00 54.12 H new ATOM 0 HG3 GLN A 51 18.639 -11.526 -6.026 1.00 54.12 H new ATOM 0 HE21 GLN A 51 16.701 -14.450 -5.352 1.00 44.40 H new ATOM 0 HE22 GLN A 51 17.974 -15.632 -5.676 1.00 44.40 H new ATOM 750 N TYR A 52 18.777 -9.896 -2.597 1.00 51.13 N ATOM 751 CA TYR A 52 19.523 -8.652 -2.514 1.00 13.43 C ATOM 752 C TYR A 52 20.854 -8.858 -1.788 1.00 52.20 C ATOM 753 O TYR A 52 21.909 -8.489 -2.302 1.00 73.21 O ATOM 754 CB TYR A 52 18.653 -7.693 -1.697 1.00 65.22 C ATOM 755 CG TYR A 52 18.626 -6.263 -2.240 1.00 35.01 C ATOM 756 CD1 TYR A 52 17.705 -5.909 -3.206 1.00 24.23 C ATOM 757 CD2 TYR A 52 19.521 -5.326 -1.763 1.00 75.55 C ATOM 758 CE1 TYR A 52 17.679 -4.563 -3.716 1.00 62.14 C ATOM 759 CE2 TYR A 52 19.494 -3.980 -2.274 1.00 63.42 C ATOM 760 CZ TYR A 52 18.575 -3.665 -3.226 1.00 31.15 C ATOM 761 OH TYR A 52 18.550 -2.394 -3.708 1.00 1.21 O ATOM 0 H TYR A 52 17.947 -9.937 -2.005 1.00 51.13 H new ATOM 0 HA TYR A 52 19.745 -8.270 -3.510 1.00 13.43 H new ATOM 0 HB2 TYR A 52 17.634 -8.079 -1.667 1.00 65.22 H new ATOM 0 HB3 TYR A 52 19.017 -7.674 -0.670 1.00 65.22 H new ATOM 0 HD1 TYR A 52 17.004 -6.642 -3.579 1.00 24.23 H new ATOM 0 HD2 TYR A 52 20.241 -5.602 -1.007 1.00 75.55 H new ATOM 0 HE1 TYR A 52 16.964 -4.273 -4.471 1.00 62.14 H new ATOM 0 HE2 TYR A 52 20.188 -3.237 -1.909 1.00 63.42 H new ATOM 0 HH TYR A 52 19.245 -1.863 -3.266 1.00 1.21 H new ATOM 771 N ALA A 53 20.761 -9.446 -0.605 1.00 20.24 N ATOM 772 CA ALA A 53 21.945 -9.706 0.197 1.00 51.11 C ATOM 773 C ALA A 53 22.903 -10.601 -0.592 1.00 3.43 C ATOM 774 O ALA A 53 24.120 -10.461 -0.482 1.00 24.54 O ATOM 775 CB ALA A 53 21.531 -10.329 1.532 1.00 43.51 C ATOM 0 H ALA A 53 19.884 -9.750 -0.182 1.00 20.24 H new ATOM 0 HA ALA A 53 22.470 -8.777 0.420 1.00 51.11 H new ATOM 0 HB1 ALA A 53 22.419 -10.524 2.133 1.00 43.51 H new ATOM 0 HB2 ALA A 53 20.875 -9.642 2.066 1.00 43.51 H new ATOM 0 HB3 ALA A 53 21.004 -11.265 1.349 1.00 43.51 H new ATOM 781 N ASN A 54 22.318 -11.499 -1.370 1.00 30.34 N ATOM 782 CA ASN A 54 23.105 -12.417 -2.176 1.00 53.34 C ATOM 783 C ASN A 54 23.794 -11.639 -3.300 1.00 34.04 C ATOM 784 O ASN A 54 24.943 -11.917 -3.637 1.00 4.50 O ATOM 785 CB ASN A 54 22.218 -13.486 -2.817 1.00 30.32 C ATOM 786 CG ASN A 54 22.126 -14.727 -1.927 1.00 22.43 C ATOM 787 OD1 ASN A 54 22.720 -14.806 -0.864 1.00 64.31 O ATOM 788 ND2 ASN A 54 21.350 -15.689 -2.418 1.00 64.32 N ATOM 0 H ASN A 54 21.308 -11.611 -1.460 1.00 30.34 H new ATOM 0 HA ASN A 54 23.835 -12.897 -1.525 1.00 53.34 H new ATOM 0 HB2 ASN A 54 21.220 -13.082 -2.988 1.00 30.32 H new ATOM 0 HB3 ASN A 54 22.621 -13.762 -3.791 1.00 30.32 H new ATOM 0 HD21 ASN A 54 21.224 -16.557 -1.898 1.00 64.32 H new ATOM 0 HD22 ASN A 54 20.881 -15.558 -3.314 1.00 64.32 H new ATOM 795 N ASP A 55 23.061 -10.681 -3.848 1.00 3.52 N ATOM 796 CA ASP A 55 23.587 -9.861 -4.926 1.00 44.20 C ATOM 797 C ASP A 55 24.763 -9.032 -4.404 1.00 15.32 C ATOM 798 O ASP A 55 25.602 -8.579 -5.181 1.00 74.32 O ATOM 799 CB ASP A 55 22.524 -8.895 -5.452 1.00 43.34 C ATOM 800 CG ASP A 55 22.911 -8.138 -6.725 1.00 21.31 C ATOM 801 OD1 ASP A 55 22.769 -6.909 -6.805 1.00 73.25 O ATOM 802 OD2 ASP A 55 23.383 -8.874 -7.674 1.00 10.30 O ATOM 0 H ASP A 55 22.107 -10.454 -3.566 1.00 3.52 H new ATOM 0 HA ASP A 55 23.902 -10.525 -5.732 1.00 44.20 H new ATOM 0 HB2 ASP A 55 21.609 -9.455 -5.644 1.00 43.34 H new ATOM 0 HB3 ASP A 55 22.296 -8.170 -4.671 1.00 43.34 H new ATOM 808 N ASN A 56 24.785 -8.858 -3.091 1.00 2.34 N ATOM 809 CA ASN A 56 25.844 -8.091 -2.455 1.00 55.04 C ATOM 810 C ASN A 56 26.966 -9.038 -2.026 1.00 10.10 C ATOM 811 O ASN A 56 28.092 -8.604 -1.789 1.00 64.13 O ATOM 812 CB ASN A 56 25.329 -7.371 -1.207 1.00 41.15 C ATOM 813 CG ASN A 56 24.318 -6.285 -1.579 1.00 13.30 C ATOM 814 OD1 ASN A 56 23.526 -6.608 -2.597 1.00 3.22 O flip ATOM 815 ND2 ASN A 56 24.260 -5.223 -0.981 1.00 35.50 N flip ATOM 0 H ASN A 56 24.087 -9.235 -2.450 1.00 2.34 H new ATOM 0 HA ASN A 56 26.205 -7.354 -3.173 1.00 55.04 H new ATOM 0 HB2 ASN A 56 24.864 -8.091 -0.534 1.00 41.15 H new ATOM 0 HB3 ASN A 56 26.165 -6.925 -0.669 1.00 41.15 H new ATOM 0 HD21 ASN A 56 24.898 -5.038 -0.207 1.00 35.50 H new ATOM 0 HD22 ASN A 56 23.573 -4.520 -1.255 1.00 35.50 H new ATOM 822 N GLY A 57 26.619 -10.314 -1.938 1.00 44.34 N ATOM 823 CA GLY A 57 27.584 -11.326 -1.542 1.00 13.44 C ATOM 824 C GLY A 57 27.982 -11.158 -0.074 1.00 1.31 C ATOM 825 O GLY A 57 29.022 -11.658 0.352 1.00 43.42 O ATOM 0 H GLY A 57 25.683 -10.670 -2.134 1.00 44.34 H new ATOM 0 HA2 GLY A 57 27.160 -12.318 -1.697 1.00 13.44 H new ATOM 0 HA3 GLY A 57 28.470 -11.256 -2.173 1.00 13.44 H new ATOM 829 N VAL A 58 27.134 -10.452 0.659 1.00 33.35 N ATOM 830 CA VAL A 58 27.384 -10.212 2.071 1.00 62.35 C ATOM 831 C VAL A 58 26.452 -11.092 2.906 1.00 11.43 C ATOM 832 O VAL A 58 25.252 -11.154 2.645 1.00 73.25 O ATOM 833 CB VAL A 58 27.238 -8.721 2.382 1.00 61.43 C ATOM 834 CG1 VAL A 58 27.302 -8.467 3.889 1.00 34.21 C ATOM 835 CG2 VAL A 58 28.297 -7.901 1.642 1.00 14.31 C ATOM 0 H VAL A 58 26.273 -10.038 0.302 1.00 33.35 H new ATOM 0 HA VAL A 58 28.407 -10.485 2.330 1.00 62.35 H new ATOM 0 HB VAL A 58 26.258 -8.399 2.029 1.00 61.43 H new ATOM 0 HG11 VAL A 58 27.196 -7.400 4.083 1.00 34.21 H new ATOM 0 HG12 VAL A 58 26.495 -9.008 4.384 1.00 34.21 H new ATOM 0 HG13 VAL A 58 28.261 -8.812 4.276 1.00 34.21 H new ATOM 0 HG21 VAL A 58 28.171 -6.845 1.880 1.00 14.31 H new ATOM 0 HG22 VAL A 58 29.290 -8.227 1.950 1.00 14.31 H new ATOM 0 HG23 VAL A 58 28.185 -8.047 0.568 1.00 14.31 H new ATOM 845 N ASP A 59 27.040 -11.749 3.895 1.00 15.12 N ATOM 846 CA ASP A 59 26.276 -12.622 4.771 1.00 5.21 C ATOM 847 C ASP A 59 26.847 -12.540 6.188 1.00 20.24 C ATOM 848 O ASP A 59 28.059 -12.621 6.379 1.00 65.41 O ATOM 849 CB ASP A 59 26.364 -14.078 4.310 1.00 54.25 C ATOM 850 CG ASP A 59 27.744 -14.520 3.820 1.00 3.41 C ATOM 851 OD1 ASP A 59 27.864 -15.297 2.861 1.00 15.14 O ATOM 852 OD2 ASP A 59 28.739 -14.025 4.476 1.00 41.44 O ATOM 0 H ASP A 59 28.036 -11.695 4.109 1.00 15.12 H new ATOM 0 HA ASP A 59 25.235 -12.298 4.747 1.00 5.21 H new ATOM 0 HB2 ASP A 59 26.065 -14.723 5.136 1.00 54.25 H new ATOM 0 HB3 ASP A 59 25.643 -14.233 3.507 1.00 54.25 H new ATOM 858 N GLY A 60 25.946 -12.381 7.146 1.00 11.44 N ATOM 859 CA GLY A 60 26.344 -12.287 8.541 1.00 63.24 C ATOM 860 C GLY A 60 25.144 -12.487 9.468 1.00 1.35 C ATOM 861 O GLY A 60 24.539 -13.558 9.486 1.00 45.34 O ATOM 0 H GLY A 60 24.941 -12.315 6.984 1.00 11.44 H new ATOM 0 HA2 GLY A 60 27.104 -13.038 8.757 1.00 63.24 H new ATOM 0 HA3 GLY A 60 26.795 -11.313 8.729 1.00 63.24 H new ATOM 865 N GLU A 61 24.835 -11.438 10.218 1.00 61.45 N ATOM 866 CA GLU A 61 23.718 -11.485 11.146 1.00 41.04 C ATOM 867 C GLU A 61 22.479 -10.845 10.517 1.00 34.00 C ATOM 868 O GLU A 61 22.455 -9.640 10.272 1.00 15.22 O ATOM 869 CB GLU A 61 24.075 -10.804 12.468 1.00 25.23 C ATOM 870 CG GLU A 61 23.006 -11.071 13.529 1.00 32.41 C ATOM 871 CD GLU A 61 23.359 -10.383 14.849 1.00 14.21 C ATOM 872 OE1 GLU A 61 22.784 -9.333 15.174 1.00 71.12 O ATOM 873 OE2 GLU A 61 24.265 -10.977 15.549 1.00 72.21 O ATOM 0 H GLU A 61 25.339 -10.551 10.201 1.00 61.45 H new ATOM 0 HA GLU A 61 23.494 -12.530 11.362 1.00 41.04 H new ATOM 0 HB2 GLU A 61 25.040 -11.168 12.820 1.00 25.23 H new ATOM 0 HB3 GLU A 61 24.177 -9.730 12.312 1.00 25.23 H new ATOM 0 HG2 GLU A 61 22.040 -10.712 13.175 1.00 32.41 H new ATOM 0 HG3 GLU A 61 22.908 -12.145 13.689 1.00 32.41 H new ATOM 881 N TRP A 62 21.479 -11.680 10.274 1.00 65.32 N ATOM 882 CA TRP A 62 20.240 -11.211 9.678 1.00 32.24 C ATOM 883 C TRP A 62 19.249 -10.928 10.810 1.00 64.03 C ATOM 884 O TRP A 62 18.974 -11.801 11.631 1.00 13.02 O ATOM 885 CB TRP A 62 19.708 -12.217 8.656 1.00 74.02 C ATOM 886 CG TRP A 62 20.617 -12.409 7.440 1.00 14.41 C ATOM 887 CD1 TRP A 62 21.915 -12.738 7.425 1.00 45.02 C ATOM 888 CD2 TRP A 62 20.240 -12.268 6.054 1.00 33.30 C ATOM 889 NE1 TRP A 62 22.401 -12.820 6.136 1.00 44.23 N ATOM 890 CE2 TRP A 62 21.350 -12.525 5.276 1.00 72.23 C ATOM 891 CE3 TRP A 62 19.001 -11.935 5.477 1.00 25.51 C ATOM 892 CZ2 TRP A 62 21.333 -12.476 3.877 1.00 43.13 C ATOM 893 CZ3 TRP A 62 19.002 -11.890 4.078 1.00 74.32 C ATOM 894 CH2 TRP A 62 20.111 -12.146 3.280 1.00 74.21 C ATOM 0 H TRP A 62 21.502 -12.679 10.479 1.00 65.32 H new ATOM 0 HA TRP A 62 20.405 -10.289 9.120 1.00 32.24 H new ATOM 0 HB2 TRP A 62 19.568 -13.180 9.148 1.00 74.02 H new ATOM 0 HB3 TRP A 62 18.726 -11.888 8.315 1.00 74.02 H new ATOM 0 HD1 TRP A 62 22.507 -12.917 8.310 1.00 45.02 H new ATOM 0 HE1 TRP A 62 23.356 -13.054 5.864 1.00 44.23 H new ATOM 0 HE3 TRP A 62 18.119 -11.730 6.066 1.00 25.51 H new ATOM 0 HZ2 TRP A 62 22.216 -12.682 3.290 1.00 43.13 H new ATOM 0 HZ3 TRP A 62 18.075 -11.639 3.583 1.00 74.32 H new ATOM 0 HH2 TRP A 62 20.030 -12.091 2.204 1.00 74.21 H new ATOM 905 N THR A 63 18.741 -9.704 10.816 1.00 64.41 N ATOM 906 CA THR A 63 17.788 -9.295 11.833 1.00 74.21 C ATOM 907 C THR A 63 16.620 -8.540 11.195 1.00 13.15 C ATOM 908 O THR A 63 16.827 -7.651 10.371 1.00 73.24 O ATOM 909 CB THR A 63 18.539 -8.476 12.884 1.00 24.41 C ATOM 910 OG1 THR A 63 17.516 -8.013 13.760 1.00 12.23 O ATOM 911 CG2 THR A 63 19.144 -7.195 12.306 1.00 33.02 C ATOM 0 H THR A 63 18.972 -8.983 10.133 1.00 64.41 H new ATOM 0 HA THR A 63 17.345 -10.158 12.330 1.00 74.21 H new ATOM 0 HB THR A 63 19.330 -9.085 13.321 1.00 24.41 H new ATOM 0 HG1 THR A 63 17.916 -7.474 14.474 1.00 12.23 H new ATOM 0 HG21 THR A 63 19.666 -6.651 13.094 1.00 33.02 H new ATOM 0 HG22 THR A 63 19.848 -7.450 11.514 1.00 33.02 H new ATOM 0 HG23 THR A 63 18.350 -6.570 11.898 1.00 33.02 H new ATOM 919 N TYR A 64 15.418 -8.921 11.602 1.00 32.12 N ATOM 920 CA TYR A 64 14.217 -8.291 11.081 1.00 14.01 C ATOM 921 C TYR A 64 13.265 -7.904 12.215 1.00 53.13 C ATOM 922 O TYR A 64 13.075 -8.668 13.159 1.00 25.55 O ATOM 923 CB TYR A 64 13.539 -9.341 10.198 1.00 10.41 C ATOM 924 CG TYR A 64 12.019 -9.194 10.112 1.00 15.24 C ATOM 925 CD1 TYR A 64 11.457 -8.372 9.156 1.00 63.30 C ATOM 926 CD2 TYR A 64 11.208 -9.883 10.992 1.00 70.14 C ATOM 927 CE1 TYR A 64 10.026 -8.234 9.075 1.00 22.24 C ATOM 928 CE2 TYR A 64 9.777 -9.745 10.911 1.00 11.10 C ATOM 929 CZ TYR A 64 9.257 -8.927 9.957 1.00 73.31 C ATOM 930 OH TYR A 64 7.905 -8.797 9.881 1.00 41.22 O ATOM 0 H TYR A 64 15.250 -9.658 12.287 1.00 32.12 H new ATOM 0 HA TYR A 64 14.467 -7.382 10.533 1.00 14.01 H new ATOM 0 HB2 TYR A 64 13.957 -9.280 9.193 1.00 10.41 H new ATOM 0 HB3 TYR A 64 13.777 -10.333 10.583 1.00 10.41 H new ATOM 0 HD1 TYR A 64 12.091 -7.832 8.468 1.00 63.30 H new ATOM 0 HD2 TYR A 64 11.647 -10.525 11.741 1.00 70.14 H new ATOM 0 HE1 TYR A 64 9.574 -7.595 8.331 1.00 22.24 H new ATOM 0 HE2 TYR A 64 9.131 -10.279 11.592 1.00 11.10 H new ATOM 0 HH TYR A 64 7.479 -9.475 10.446 1.00 41.22 H new ATOM 940 N ASP A 65 12.691 -6.717 12.083 1.00 34.21 N ATOM 941 CA ASP A 65 11.763 -6.219 13.085 1.00 71.44 C ATOM 942 C ASP A 65 10.384 -6.034 12.449 1.00 52.35 C ATOM 943 O ASP A 65 10.182 -5.120 11.650 1.00 4.44 O ATOM 944 CB ASP A 65 12.218 -4.865 13.632 1.00 55.25 C ATOM 945 CG ASP A 65 13.045 -4.931 14.917 1.00 61.14 C ATOM 946 OD1 ASP A 65 14.282 -5.016 14.876 1.00 35.43 O ATOM 947 OD2 ASP A 65 12.360 -4.891 16.009 1.00 70.50 O ATOM 0 H ASP A 65 12.850 -6.086 11.298 1.00 34.21 H new ATOM 0 HA ASP A 65 11.725 -6.942 13.900 1.00 71.44 H new ATOM 0 HB2 ASP A 65 12.805 -4.359 12.866 1.00 55.25 H new ATOM 0 HB3 ASP A 65 11.337 -4.250 13.816 1.00 55.25 H new ATOM 953 N ASP A 66 9.470 -6.915 12.826 1.00 72.41 N ATOM 954 CA ASP A 66 8.115 -6.860 12.302 1.00 25.23 C ATOM 955 C ASP A 66 7.462 -5.544 12.728 1.00 43.44 C ATOM 956 O ASP A 66 6.490 -5.103 12.116 1.00 31.24 O ATOM 957 CB ASP A 66 7.266 -8.008 12.851 1.00 72.34 C ATOM 958 CG ASP A 66 5.999 -8.316 12.049 1.00 44.40 C ATOM 959 OD1 ASP A 66 5.822 -9.431 11.538 1.00 30.41 O ATOM 960 OD2 ASP A 66 5.162 -7.339 11.957 1.00 11.31 O ATOM 0 H ASP A 66 9.640 -7.672 13.488 1.00 72.41 H new ATOM 0 HA ASP A 66 8.169 -6.938 11.216 1.00 25.23 H new ATOM 0 HB2 ASP A 66 7.880 -8.907 12.891 1.00 72.34 H new ATOM 0 HB3 ASP A 66 6.981 -7.771 13.876 1.00 72.34 H new ATOM 966 N ALA A 67 8.023 -4.952 13.772 1.00 31.22 N ATOM 967 CA ALA A 67 7.507 -3.695 14.286 1.00 1.13 C ATOM 968 C ALA A 67 7.555 -2.639 13.180 1.00 14.33 C ATOM 969 O ALA A 67 6.745 -1.713 13.166 1.00 74.24 O ATOM 970 CB ALA A 67 8.309 -3.281 15.522 1.00 35.33 C ATOM 0 H ALA A 67 8.830 -5.320 14.276 1.00 31.22 H new ATOM 0 HA ALA A 67 6.467 -3.804 14.593 1.00 1.13 H new ATOM 0 HB1 ALA A 67 7.922 -2.338 15.908 1.00 35.33 H new ATOM 0 HB2 ALA A 67 8.219 -4.051 16.289 1.00 35.33 H new ATOM 0 HB3 ALA A 67 9.358 -3.159 15.251 1.00 35.33 H new ATOM 976 N THR A 68 8.512 -2.813 12.281 1.00 51.40 N ATOM 977 CA THR A 68 8.676 -1.886 11.174 1.00 53.03 C ATOM 978 C THR A 68 8.972 -2.648 9.880 1.00 0.44 C ATOM 979 O THR A 68 9.375 -2.051 8.883 1.00 24.31 O ATOM 980 CB THR A 68 9.768 -0.884 11.553 1.00 23.51 C ATOM 981 OG1 THR A 68 10.081 -0.230 10.326 1.00 33.24 O ATOM 982 CG2 THR A 68 11.077 -1.569 11.954 1.00 74.11 C ATOM 0 H THR A 68 9.182 -3.582 12.296 1.00 51.40 H new ATOM 0 HA THR A 68 7.758 -1.330 10.984 1.00 53.03 H new ATOM 0 HB THR A 68 9.418 -0.259 12.375 1.00 23.51 H new ATOM 0 HG1 THR A 68 9.475 -0.545 9.623 1.00 33.24 H new ATOM 0 HG21 THR A 68 11.818 -0.813 12.213 1.00 74.11 H new ATOM 0 HG22 THR A 68 10.901 -2.215 12.814 1.00 74.11 H new ATOM 0 HG23 THR A 68 11.445 -2.167 11.120 1.00 74.11 H new ATOM 990 N LYS A 69 8.760 -3.954 9.939 1.00 24.21 N ATOM 991 CA LYS A 69 9.000 -4.804 8.785 1.00 52.32 C ATOM 992 C LYS A 69 10.279 -4.350 8.079 1.00 3.35 C ATOM 993 O LYS A 69 10.257 -4.028 6.892 1.00 4.15 O ATOM 994 CB LYS A 69 7.771 -4.828 7.874 1.00 71.34 C ATOM 995 CG LYS A 69 6.486 -4.979 8.690 1.00 12.32 C ATOM 996 CD LYS A 69 6.355 -6.396 9.251 1.00 62.30 C ATOM 997 CE LYS A 69 4.971 -6.977 8.955 1.00 21.44 C ATOM 998 NZ LYS A 69 4.897 -8.389 9.394 1.00 64.23 N ATOM 0 H LYS A 69 8.425 -4.445 10.768 1.00 24.21 H new ATOM 0 HA LYS A 69 9.158 -5.836 9.098 1.00 52.32 H new ATOM 0 HB2 LYS A 69 7.729 -3.909 7.290 1.00 71.34 H new ATOM 0 HB3 LYS A 69 7.855 -5.652 7.166 1.00 71.34 H new ATOM 0 HG2 LYS A 69 6.484 -4.259 9.508 1.00 12.32 H new ATOM 0 HG3 LYS A 69 5.624 -4.751 8.063 1.00 12.32 H new ATOM 0 HD2 LYS A 69 7.123 -7.036 8.816 1.00 62.30 H new ATOM 0 HD3 LYS A 69 6.525 -6.382 10.328 1.00 62.30 H new ATOM 0 HE2 LYS A 69 4.207 -6.391 9.466 1.00 21.44 H new ATOM 0 HE3 LYS A 69 4.763 -6.911 7.887 1.00 21.44 H new ATOM 0 HZ1 LYS A 69 4.553 -8.979 8.610 1.00 64.23 H new ATOM 0 HZ2 LYS A 69 5.842 -8.713 9.682 1.00 64.23 H new ATOM 0 HZ3 LYS A 69 4.243 -8.468 10.199 1.00 64.23 H new ATOM 1011 N THR A 70 11.364 -4.338 8.840 1.00 21.31 N ATOM 1012 CA THR A 70 12.651 -3.929 8.303 1.00 74.12 C ATOM 1013 C THR A 70 13.718 -4.979 8.616 1.00 31.54 C ATOM 1014 O THR A 70 13.768 -5.507 9.727 1.00 53.15 O ATOM 1015 CB THR A 70 12.978 -2.544 8.864 1.00 42.24 C ATOM 1016 OG1 THR A 70 12.215 -1.653 8.055 1.00 11.31 O ATOM 1017 CG2 THR A 70 14.429 -2.134 8.602 1.00 30.21 C ATOM 0 H THR A 70 11.378 -4.605 9.824 1.00 21.31 H new ATOM 0 HA THR A 70 12.621 -3.857 7.216 1.00 74.12 H new ATOM 0 HB THR A 70 12.785 -2.532 9.937 1.00 42.24 H new ATOM 0 HG1 THR A 70 11.267 -1.727 8.291 1.00 11.31 H new ATOM 0 HG21 THR A 70 14.608 -1.144 9.020 1.00 30.21 H new ATOM 0 HG22 THR A 70 15.101 -2.853 9.071 1.00 30.21 H new ATOM 0 HG23 THR A 70 14.613 -2.113 7.528 1.00 30.21 H new ATOM 1025 N PHE A 71 14.546 -5.252 7.618 1.00 14.14 N ATOM 1026 CA PHE A 71 15.609 -6.230 7.774 1.00 40.13 C ATOM 1027 C PHE A 71 16.983 -5.572 7.637 1.00 5.45 C ATOM 1028 O PHE A 71 17.173 -4.689 6.802 1.00 12.33 O ATOM 1029 CB PHE A 71 15.437 -7.259 6.655 1.00 33.41 C ATOM 1030 CG PHE A 71 14.027 -7.846 6.561 1.00 33.13 C ATOM 1031 CD1 PHE A 71 12.985 -7.056 6.185 1.00 22.44 C ATOM 1032 CD2 PHE A 71 13.815 -9.157 6.854 1.00 70.32 C ATOM 1033 CE1 PHE A 71 11.677 -7.601 6.098 1.00 13.04 C ATOM 1034 CE2 PHE A 71 12.506 -9.702 6.767 1.00 44.22 C ATOM 1035 CZ PHE A 71 11.465 -8.912 6.391 1.00 71.10 C ATOM 0 H PHE A 71 14.502 -4.813 6.698 1.00 14.14 H new ATOM 0 HA PHE A 71 15.551 -6.688 8.761 1.00 40.13 H new ATOM 0 HB2 PHE A 71 15.689 -6.791 5.703 1.00 33.41 H new ATOM 0 HB3 PHE A 71 16.148 -8.071 6.809 1.00 33.41 H new ATOM 0 HD1 PHE A 71 13.153 -6.015 5.953 1.00 22.44 H new ATOM 0 HD2 PHE A 71 14.642 -9.784 7.153 1.00 70.32 H new ATOM 0 HE1 PHE A 71 10.850 -6.974 5.799 1.00 13.04 H new ATOM 0 HE2 PHE A 71 12.338 -10.743 6.999 1.00 44.22 H new ATOM 0 HZ PHE A 71 10.470 -9.326 6.325 1.00 71.10 H new ATOM 1045 N THR A 72 17.907 -6.027 8.471 1.00 43.30 N ATOM 1046 CA THR A 72 19.259 -5.493 8.454 1.00 33.11 C ATOM 1047 C THR A 72 20.281 -6.631 8.429 1.00 41.03 C ATOM 1048 O THR A 72 20.179 -7.580 9.205 1.00 55.14 O ATOM 1049 CB THR A 72 19.415 -4.563 9.659 1.00 53.23 C ATOM 1050 OG1 THR A 72 18.153 -3.908 9.758 1.00 71.25 O ATOM 1051 CG2 THR A 72 20.405 -3.426 9.396 1.00 33.04 C ATOM 0 H THR A 72 17.746 -6.759 9.163 1.00 43.30 H new ATOM 0 HA THR A 72 19.444 -4.912 7.550 1.00 33.11 H new ATOM 0 HB THR A 72 19.745 -5.140 10.523 1.00 53.23 H new ATOM 0 HG1 THR A 72 18.166 -3.287 10.516 1.00 71.25 H new ATOM 0 HG21 THR A 72 20.479 -2.796 10.282 1.00 33.04 H new ATOM 0 HG22 THR A 72 21.385 -3.843 9.165 1.00 33.04 H new ATOM 0 HG23 THR A 72 20.057 -2.828 8.553 1.00 33.04 H new ATOM 1059 N VAL A 73 21.244 -6.498 7.529 1.00 62.34 N ATOM 1060 CA VAL A 73 22.284 -7.504 7.392 1.00 44.51 C ATOM 1061 C VAL A 73 23.611 -6.930 7.894 1.00 31.24 C ATOM 1062 O VAL A 73 24.112 -5.948 7.350 1.00 5.43 O ATOM 1063 CB VAL A 73 22.354 -7.991 5.943 1.00 3.41 C ATOM 1064 CG1 VAL A 73 23.637 -7.508 5.264 1.00 64.12 C ATOM 1065 CG2 VAL A 73 22.235 -9.514 5.871 1.00 72.24 C ATOM 0 H VAL A 73 21.326 -5.709 6.888 1.00 62.34 H new ATOM 0 HA VAL A 73 22.054 -8.377 8.003 1.00 44.51 H new ATOM 0 HB VAL A 73 21.509 -7.563 5.404 1.00 3.41 H new ATOM 0 HG11 VAL A 73 23.662 -7.868 4.235 1.00 64.12 H new ATOM 0 HG12 VAL A 73 23.663 -6.418 5.268 1.00 64.12 H new ATOM 0 HG13 VAL A 73 24.502 -7.893 5.804 1.00 64.12 H new ATOM 0 HG21 VAL A 73 22.288 -9.834 4.830 1.00 72.24 H new ATOM 0 HG22 VAL A 73 23.051 -9.970 6.433 1.00 72.24 H new ATOM 0 HG23 VAL A 73 21.282 -9.825 6.299 1.00 72.24 H new ATOM 1075 N THR A 74 24.141 -7.569 8.927 1.00 4.51 N ATOM 1076 CA THR A 74 25.400 -7.134 9.509 1.00 30.32 C ATOM 1077 C THR A 74 26.514 -8.128 9.174 1.00 73.15 C ATOM 1078 O THR A 74 26.432 -9.302 9.531 1.00 34.11 O ATOM 1079 CB THR A 74 25.186 -6.947 11.012 1.00 12.54 C ATOM 1080 OG1 THR A 74 23.884 -6.376 11.109 1.00 52.30 O ATOM 1081 CG2 THR A 74 26.106 -5.878 11.606 1.00 0.01 C ATOM 0 H THR A 74 23.722 -8.384 9.376 1.00 4.51 H new ATOM 0 HA THR A 74 25.721 -6.180 9.090 1.00 30.32 H new ATOM 0 HB THR A 74 25.354 -7.895 11.523 1.00 12.54 H new ATOM 0 HG1 THR A 74 23.663 -6.223 12.051 1.00 52.30 H new ATOM 0 HG21 THR A 74 25.913 -5.785 12.675 1.00 0.01 H new ATOM 0 HG22 THR A 74 27.146 -6.164 11.448 1.00 0.01 H new ATOM 0 HG23 THR A 74 25.915 -4.922 11.119 1.00 0.01 H new ATOM 1089 N GLU A 75 27.529 -7.621 8.490 1.00 3.03 N ATOM 1090 CA GLU A 75 28.658 -8.449 8.102 1.00 23.43 C ATOM 1091 C GLU A 75 29.792 -8.312 9.120 1.00 21.14 C ATOM 1092 O GLU A 75 30.258 -9.307 9.674 1.00 40.20 O ATOM 1093 CB GLU A 75 29.140 -8.095 6.694 1.00 30.11 C ATOM 1094 CG GLU A 75 29.898 -9.265 6.064 1.00 45.35 C ATOM 1095 CD GLU A 75 30.094 -9.046 4.562 1.00 52.31 C ATOM 1096 OE1 GLU A 75 30.106 -10.016 3.790 1.00 23.33 O ATOM 1097 OE2 GLU A 75 30.235 -7.814 4.204 1.00 32.33 O ATOM 0 H GLU A 75 27.593 -6.647 8.194 1.00 3.03 H new ATOM 0 HA GLU A 75 28.332 -9.489 8.088 1.00 23.43 H new ATOM 0 HB2 GLU A 75 28.287 -7.831 6.069 1.00 30.11 H new ATOM 0 HB3 GLU A 75 29.787 -7.219 6.737 1.00 30.11 H new ATOM 0 HG2 GLU A 75 30.868 -9.378 6.548 1.00 45.35 H new ATOM 0 HG3 GLU A 75 29.349 -10.191 6.231 1.00 45.35 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -1.718 -4.864 -13.229 1.00 54.33 LA