USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 998 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 112 GLN : amide:sc= -1.91! C(o=-2.7!,f=-12!) USER MOD Set 1.2: A 116 GLN : amide:sc= -0.823 K(o=-2.7,f=-5.7!) USER MOD Set 2.1: A 53 THR OG1 : rot 103:sc= 0.192 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0.206 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0.259 (180deg=0.0657) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.237 K(o=-0.24,f=-3.4!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.93! C(o=-1.9!,f=-1.8!) USER MOD Single : A 44 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.1!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 81 GLN : amide:sc= -1.52 K(o=-1.5,f=-3!) USER MOD Single : A 84 HIS : no HD1:sc= -0.416 K(o=-0.42,f=-1.6) USER MOD Single : A 87 TYR OH : rot 157:sc= -2.21! USER MOD Single : A 88 MET CE :methyl -169:sc= 0 (180deg=-0.183) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc=-0.00303 K(o=-0.003,f=-1) USER MOD Single : A 109 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 111 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0239) USER MOD Single : A 115 THR OG1 : rot 63:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.547 3.273 -6.600 1.00 15.44 N ATOM 2 CA MET A 1 -0.527 2.354 -6.241 1.00 3.31 C ATOM 3 C MET A 1 0.020 0.955 -5.976 1.00 74.14 C ATOM 4 O MET A 1 0.352 0.221 -6.908 1.00 71.53 O ATOM 5 CB MET A 1 -1.577 2.301 -7.353 1.00 63.25 C ATOM 6 CG MET A 1 -2.957 1.891 -6.867 1.00 72.34 C ATOM 7 SD MET A 1 -4.220 2.053 -8.144 1.00 74.21 S ATOM 8 CE MET A 1 -5.136 3.469 -7.538 1.00 74.05 C ATOM 0 H1 MET A 1 0.151 4.218 -6.776 1.00 15.44 H new ATOM 0 H2 MET A 1 1.234 3.325 -5.821 1.00 15.44 H new ATOM 0 H3 MET A 1 1.023 2.932 -7.460 1.00 15.44 H new ATOM 0 HA MET A 1 -0.994 2.722 -5.328 1.00 3.31 H new ATOM 0 HB2 MET A 1 -1.644 3.281 -7.825 1.00 63.25 H new ATOM 0 HB3 MET A 1 -1.247 1.599 -8.119 1.00 63.25 H new ATOM 0 HG2 MET A 1 -2.924 0.857 -6.523 1.00 72.34 H new ATOM 0 HG3 MET A 1 -3.233 2.504 -6.009 1.00 72.34 H new ATOM 0 HE1 MET A 1 -5.953 3.694 -8.223 1.00 74.05 H new ATOM 0 HE2 MET A 1 -5.541 3.245 -6.551 1.00 74.05 H new ATOM 0 HE3 MET A 1 -4.472 4.331 -7.471 1.00 74.05 H new ATOM 18 N SER A 2 0.111 0.591 -4.701 1.00 74.23 N ATOM 19 CA SER A 2 0.623 -0.718 -4.314 1.00 34.35 C ATOM 20 C SER A 2 -0.503 -1.610 -3.796 1.00 3.11 C ATOM 21 O SER A 2 -1.624 -1.151 -3.583 1.00 53.21 O ATOM 22 CB SER A 2 1.706 -0.571 -3.243 1.00 53.05 C ATOM 23 OG SER A 2 1.241 0.204 -2.152 1.00 72.31 O ATOM 0 H SER A 2 -0.163 1.185 -3.918 1.00 74.23 H new ATOM 0 HA SER A 2 1.058 -1.186 -5.197 1.00 34.35 H new ATOM 0 HB2 SER A 2 2.009 -1.557 -2.890 1.00 53.05 H new ATOM 0 HB3 SER A 2 2.589 -0.102 -3.676 1.00 53.05 H new ATOM 0 HG SER A 2 1.950 0.282 -1.480 1.00 72.31 H new ATOM 29 N SER A 3 -0.193 -2.887 -3.595 1.00 72.01 N ATOM 30 CA SER A 3 -1.177 -3.845 -3.106 1.00 24.41 C ATOM 31 C SER A 3 -2.429 -3.831 -3.979 1.00 2.44 C ATOM 32 O SER A 3 -3.545 -3.977 -3.483 1.00 21.24 O ATOM 33 CB SER A 3 -1.551 -3.528 -1.656 1.00 44.53 C ATOM 34 OG SER A 3 -0.404 -3.186 -0.898 1.00 72.50 O ATOM 0 H SER A 3 0.732 -3.282 -3.763 1.00 72.01 H new ATOM 0 HA SER A 3 -0.733 -4.840 -3.151 1.00 24.41 H new ATOM 0 HB2 SER A 3 -2.265 -2.705 -1.633 1.00 44.53 H new ATOM 0 HB3 SER A 3 -2.044 -4.390 -1.207 1.00 44.53 H new ATOM 0 HG SER A 3 -0.669 -2.986 0.024 1.00 72.50 H new ATOM 40 N GLU A 4 -2.232 -3.655 -5.282 1.00 74.53 N ATOM 41 CA GLU A 4 -3.343 -3.623 -6.225 1.00 44.43 C ATOM 42 C GLU A 4 -4.090 -4.953 -6.232 1.00 72.00 C ATOM 43 O GLU A 4 -5.303 -4.996 -6.443 1.00 41.22 O ATOM 44 CB GLU A 4 -2.838 -3.301 -7.633 1.00 55.41 C ATOM 45 CG GLU A 4 -2.379 -1.862 -7.801 1.00 51.52 C ATOM 46 CD GLU A 4 -2.071 -1.514 -9.245 1.00 0.52 C ATOM 47 OE1 GLU A 4 -2.959 -1.706 -10.103 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -0.945 -1.048 -9.516 1.00 44.14 O ATOM 0 H GLU A 4 -1.313 -3.532 -5.708 1.00 74.53 H new ATOM 0 HA GLU A 4 -4.033 -2.841 -5.907 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -2.010 -3.968 -7.874 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -3.632 -3.506 -8.351 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -3.152 -1.192 -7.426 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -1.490 -1.694 -7.193 1.00 51.52 H new ATOM 55 N LEU A 5 -3.358 -6.037 -6.002 1.00 43.24 N ATOM 56 CA LEU A 5 -3.949 -7.371 -5.981 1.00 13.32 C ATOM 57 C LEU A 5 -5.121 -7.431 -5.007 1.00 63.44 C ATOM 58 O LEU A 5 -6.106 -8.131 -5.248 1.00 51.25 O ATOM 59 CB LEU A 5 -2.896 -8.411 -5.596 1.00 63.32 C ATOM 60 CG LEU A 5 -2.499 -8.449 -4.119 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.729 -9.722 -3.806 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.676 -7.222 -3.757 1.00 74.41 C ATOM 0 H LEU A 5 -2.353 -6.019 -5.827 1.00 43.24 H new ATOM 0 HA LEU A 5 -4.320 -7.593 -6.981 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -3.268 -9.396 -5.877 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.999 -8.227 -6.188 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.408 -8.442 -3.517 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.455 -9.731 -2.751 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.353 -10.588 -4.027 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.826 -9.760 -4.416 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.402 -7.266 -2.703 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.772 -7.198 -4.366 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.263 -6.322 -3.943 1.00 74.41 H new ATOM 74 N LEU A 6 -5.010 -6.693 -3.909 1.00 10.52 N ATOM 75 CA LEU A 6 -6.062 -6.661 -2.899 1.00 13.21 C ATOM 76 C LEU A 6 -7.379 -6.179 -3.499 1.00 51.12 C ATOM 77 O LEU A 6 -8.398 -6.865 -3.419 1.00 73.12 O ATOM 78 CB LEU A 6 -5.655 -5.752 -1.738 1.00 44.03 C ATOM 79 CG LEU A 6 -4.401 -6.168 -0.968 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.160 -5.233 0.206 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.522 -7.607 -0.489 1.00 22.10 C ATOM 0 H LEU A 6 -4.202 -6.108 -3.695 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.203 -7.675 -2.526 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.501 -4.746 -2.127 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.487 -5.698 -1.036 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.546 -6.100 -1.641 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.263 -5.545 0.742 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.028 -4.215 -0.161 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.016 -5.267 0.880 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.621 -7.886 0.057 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.387 -7.700 0.167 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.645 -8.267 -1.348 1.00 22.10 H new ATOM 93 N ASP A 7 -7.350 -4.995 -4.102 1.00 4.52 N ATOM 94 CA ASP A 7 -8.540 -4.422 -4.720 1.00 25.12 C ATOM 95 C ASP A 7 -9.029 -5.295 -5.871 1.00 33.21 C ATOM 96 O ASP A 7 -10.221 -5.330 -6.174 1.00 24.02 O ATOM 97 CB ASP A 7 -8.249 -3.008 -5.224 1.00 34.32 C ATOM 98 CG ASP A 7 -9.458 -2.100 -5.131 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.654 -1.478 -4.065 1.00 34.22 O ATOM 100 OD2 ASP A 7 -10.210 -2.009 -6.124 1.00 22.32 O1- ATOM 0 H ASP A 7 -6.515 -4.414 -4.176 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.324 -4.376 -3.965 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.431 -2.580 -4.644 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.914 -3.057 -6.260 1.00 34.32 H new ATOM 105 N ALA A 8 -8.100 -5.999 -6.509 1.00 74.43 N ATOM 106 CA ALA A 8 -8.436 -6.872 -7.627 1.00 44.45 C ATOM 107 C ALA A 8 -9.469 -7.916 -7.216 1.00 72.11 C ATOM 108 O ALA A 8 -10.516 -8.051 -7.851 1.00 71.43 O ATOM 109 CB ALA A 8 -7.183 -7.549 -8.163 1.00 72.11 C ATOM 0 H ALA A 8 -7.108 -5.982 -6.271 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.871 -6.259 -8.417 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.449 -8.198 -8.997 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.477 -6.791 -8.503 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.724 -8.143 -7.373 1.00 72.11 H new ATOM 115 N LEU A 9 -9.168 -8.652 -6.153 1.00 65.10 N ATOM 116 CA LEU A 9 -10.070 -9.686 -5.657 1.00 30.43 C ATOM 117 C LEU A 9 -11.456 -9.111 -5.379 1.00 2.51 C ATOM 118 O LEU A 9 -12.472 -9.748 -5.660 1.00 14.11 O ATOM 119 CB LEU A 9 -9.504 -10.319 -4.385 1.00 54.45 C ATOM 120 CG LEU A 9 -8.083 -10.874 -4.487 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.329 -10.653 -3.185 1.00 21.41 C ATOM 122 CD2 LEU A 9 -8.113 -12.354 -4.843 1.00 32.24 C ATOM 0 H LEU A 9 -8.306 -8.552 -5.617 1.00 65.10 H new ATOM 0 HA LEU A 9 -10.161 -10.453 -6.426 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.525 -9.572 -3.591 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -10.168 -11.128 -4.079 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.561 -10.340 -5.281 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.320 -11.054 -3.276 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.277 -9.585 -2.971 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.849 -11.161 -2.373 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -7.093 -12.732 -4.911 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.653 -12.903 -4.071 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.615 -12.488 -5.801 1.00 32.24 H new ATOM 134 N THR A 10 -11.490 -7.902 -4.827 1.00 42.42 N ATOM 135 CA THR A 10 -12.749 -7.241 -4.513 1.00 45.22 C ATOM 136 C THR A 10 -13.586 -7.025 -5.769 1.00 33.22 C ATOM 137 O THR A 10 -14.800 -7.228 -5.759 1.00 71.53 O ATOM 138 CB THR A 10 -12.514 -5.881 -3.827 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.796 -6.069 -2.603 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.835 -5.182 -3.544 1.00 62.04 C ATOM 0 H THR A 10 -10.659 -7.361 -4.588 1.00 42.42 H new ATOM 0 HA THR A 10 -13.288 -7.897 -3.829 1.00 45.22 H new ATOM 0 HB THR A 10 -11.928 -5.255 -4.500 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.649 -5.201 -2.173 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.644 -4.224 -3.060 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.366 -5.015 -4.481 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.443 -5.805 -2.888 1.00 62.04 H new ATOM 148 N ILE A 11 -12.929 -6.611 -6.848 1.00 32.10 N ATOM 149 CA ILE A 11 -13.613 -6.371 -8.112 1.00 21.23 C ATOM 150 C ILE A 11 -14.293 -7.638 -8.619 1.00 62.33 C ATOM 151 O ILE A 11 -15.357 -7.579 -9.239 1.00 65.32 O ATOM 152 CB ILE A 11 -12.641 -5.857 -9.190 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.987 -4.550 -8.737 1.00 53.43 C ATOM 154 CG2 ILE A 11 -13.368 -5.662 -10.511 1.00 64.41 C ATOM 155 CD1 ILE A 11 -10.597 -4.344 -9.294 1.00 14.01 C ATOM 0 H ILE A 11 -11.925 -6.435 -6.871 1.00 32.10 H new ATOM 0 HA ILE A 11 -14.368 -5.608 -7.922 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.858 -6.601 -9.336 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.618 -3.714 -9.039 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.939 -4.536 -7.648 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -12.667 -5.298 -11.262 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.790 -6.612 -10.838 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -14.170 -4.935 -10.381 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -10.196 -3.398 -8.931 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.951 -5.160 -8.971 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -10.640 -4.325 -10.383 1.00 14.01 H new ATOM 167 N LEU A 12 -13.675 -8.782 -8.352 1.00 75.15 N ATOM 168 CA LEU A 12 -14.222 -10.065 -8.779 1.00 35.45 C ATOM 169 C LEU A 12 -15.512 -10.384 -8.033 1.00 52.41 C ATOM 170 O LEU A 12 -16.370 -11.106 -8.538 1.00 23.30 O ATOM 171 CB LEU A 12 -13.198 -11.180 -8.550 1.00 52.11 C ATOM 172 CG LEU A 12 -11.782 -10.905 -9.057 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.903 -12.132 -8.876 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.811 -10.477 -10.517 1.00 60.44 C ATOM 0 H LEU A 12 -12.794 -8.848 -7.842 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.447 -9.999 -9.843 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -13.146 -11.384 -7.481 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.565 -12.087 -9.030 1.00 52.11 H new ATOM 0 HG LEU A 12 -11.358 -10.090 -8.470 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.899 -11.918 -9.242 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.855 -12.393 -7.819 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -11.323 -12.967 -9.437 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.794 -10.286 -10.860 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -12.254 -11.270 -11.120 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -12.405 -9.569 -10.618 1.00 60.44 H new ATOM 186 N GLU A 13 -15.643 -9.837 -6.828 1.00 2.20 N ATOM 187 CA GLU A 13 -16.831 -10.062 -6.012 1.00 73.44 C ATOM 188 C GLU A 13 -18.093 -9.643 -6.761 1.00 24.32 C ATOM 189 O GLU A 13 -19.165 -10.214 -6.565 1.00 32.15 O ATOM 190 CB GLU A 13 -16.727 -9.291 -4.695 1.00 53.14 C ATOM 191 CG GLU A 13 -15.504 -9.658 -3.871 1.00 32.32 C ATOM 192 CD GLU A 13 -15.834 -10.583 -2.716 1.00 22.03 C ATOM 193 OE1 GLU A 13 -15.972 -11.801 -2.952 1.00 5.24 O ATOM 194 OE2 GLU A 13 -15.955 -10.088 -1.576 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.942 -9.235 -6.396 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.894 -11.128 -5.796 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -16.703 -8.223 -4.910 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -17.623 -9.477 -4.103 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -14.767 -10.137 -4.516 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -15.046 -8.748 -3.483 1.00 32.32 H new ATOM 201 N LYS A 14 -17.957 -8.638 -7.621 1.00 41.41 N ATOM 202 CA LYS A 14 -19.084 -8.141 -8.401 1.00 53.15 C ATOM 203 C LYS A 14 -19.705 -9.257 -9.232 1.00 32.03 C ATOM 204 O LYS A 14 -20.877 -9.188 -9.603 1.00 33.02 O ATOM 205 CB LYS A 14 -18.633 -6.999 -9.315 1.00 52.04 C ATOM 206 CG LYS A 14 -19.689 -6.570 -10.318 1.00 23.23 C ATOM 207 CD LYS A 14 -19.490 -7.248 -11.664 1.00 74.34 C ATOM 208 CE LYS A 14 -20.809 -7.425 -12.401 1.00 0.54 C ATOM 209 NZ LYS A 14 -21.337 -6.130 -12.910 1.00 44.11 N1+ ATOM 0 H LYS A 14 -17.077 -8.152 -7.795 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.837 -7.767 -7.708 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -18.357 -6.141 -8.702 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -17.737 -7.308 -9.853 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -20.679 -6.812 -9.931 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -19.652 -5.488 -10.446 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -18.808 -6.655 -12.274 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -19.021 -8.221 -11.516 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -20.670 -8.113 -13.235 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -21.541 -7.878 -11.732 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -22.236 -6.293 -13.406 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -21.494 -5.481 -12.112 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -20.650 -5.710 -13.568 1.00 44.11 H new ATOM 223 N GLU A 15 -18.914 -10.286 -9.520 1.00 31.13 N ATOM 224 CA GLU A 15 -19.389 -11.418 -10.308 1.00 10.21 C ATOM 225 C GLU A 15 -19.995 -12.491 -9.407 1.00 74.31 C ATOM 226 O GLU A 15 -19.375 -12.925 -8.435 1.00 23.34 O ATOM 227 CB GLU A 15 -18.244 -12.013 -11.129 1.00 45.25 C ATOM 228 CG GLU A 15 -18.644 -12.396 -12.543 1.00 55.15 C ATOM 229 CD GLU A 15 -18.765 -11.196 -13.462 1.00 24.20 C ATOM 230 OE1 GLU A 15 -17.905 -10.294 -13.374 1.00 1.53 O ATOM 231 OE2 GLU A 15 -19.718 -11.157 -14.267 1.00 50.25 O1- ATOM 0 H GLU A 15 -17.942 -10.359 -9.220 1.00 31.13 H new ATOM 0 HA GLU A 15 -20.163 -11.057 -10.986 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.428 -11.292 -11.174 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -17.862 -12.896 -10.617 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -17.906 -13.087 -12.950 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -19.596 -12.925 -12.516 1.00 55.15 H new ATOM 238 N LYS A 16 -21.210 -12.915 -9.737 1.00 54.02 N ATOM 239 CA LYS A 16 -21.901 -13.937 -8.961 1.00 15.32 C ATOM 240 C LYS A 16 -21.379 -15.328 -9.307 1.00 60.10 C ATOM 241 O LYS A 16 -21.098 -15.626 -10.466 1.00 20.10 O ATOM 242 CB LYS A 16 -23.409 -13.869 -9.217 1.00 20.41 C ATOM 243 CG LYS A 16 -23.822 -14.420 -10.571 1.00 32.52 C ATOM 244 CD LYS A 16 -24.377 -15.828 -10.454 1.00 20.11 C ATOM 245 CE LYS A 16 -25.442 -16.097 -11.505 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.880 -17.521 -11.500 1.00 30.23 N1+ ATOM 0 H LYS A 16 -21.737 -12.566 -10.538 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.709 -13.748 -7.905 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.927 -14.424 -8.435 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.735 -12.832 -9.141 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.573 -13.768 -11.016 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -22.963 -14.421 -11.242 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.567 -16.549 -10.562 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -24.801 -15.972 -9.460 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -26.302 -15.452 -11.324 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -25.053 -15.840 -12.490 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -26.606 -17.663 -12.231 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.065 -18.136 -11.698 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -26.275 -17.759 -10.568 1.00 30.23 H new ATOM 260 N GLY A 17 -21.253 -16.178 -8.291 1.00 53.14 N ATOM 261 CA GLY A 17 -20.766 -17.527 -8.508 1.00 1.24 C ATOM 262 C GLY A 17 -19.255 -17.592 -8.592 1.00 24.31 C ATOM 263 O GLY A 17 -18.687 -18.646 -8.882 1.00 30.33 O ATOM 0 H GLY A 17 -21.480 -15.955 -7.322 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.109 -18.169 -7.697 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.195 -17.921 -9.429 1.00 1.24 H new ATOM 267 N ILE A 18 -18.601 -16.463 -8.339 1.00 51.44 N ATOM 268 CA ILE A 18 -17.146 -16.396 -8.388 1.00 32.50 C ATOM 269 C ILE A 18 -16.561 -16.142 -7.002 1.00 3.32 C ATOM 270 O ILE A 18 -16.487 -15.000 -6.549 1.00 25.41 O ATOM 271 CB ILE A 18 -16.664 -15.292 -9.346 1.00 45.15 C ATOM 272 CG1 ILE A 18 -16.945 -15.688 -10.797 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.181 -15.022 -9.142 1.00 34.32 C ATOM 274 CD1 ILE A 18 -18.355 -15.376 -11.247 1.00 3.12 C ATOM 0 H ILE A 18 -19.056 -15.582 -8.098 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.798 -17.361 -8.756 1.00 32.50 H new ATOM 0 HB ILE A 18 -17.212 -14.376 -9.126 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -16.241 -15.170 -11.449 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -16.763 -16.756 -10.915 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.856 -14.239 -9.827 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -15.008 -14.701 -8.115 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -14.615 -15.933 -9.338 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -18.482 -15.684 -12.285 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -19.065 -15.915 -10.619 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -18.536 -14.304 -11.161 1.00 3.12 H new ATOM 286 N SER A 19 -16.144 -17.215 -6.335 1.00 72.20 N ATOM 287 CA SER A 19 -15.567 -17.108 -5.001 1.00 5.03 C ATOM 288 C SER A 19 -14.117 -16.641 -5.072 1.00 10.11 C ATOM 289 O SER A 19 -13.267 -17.303 -5.671 1.00 55.41 O ATOM 290 CB SER A 19 -15.646 -18.455 -4.279 1.00 70.31 C ATOM 291 OG SER A 19 -16.356 -19.407 -5.053 1.00 12.11 O ATOM 0 H SER A 19 -16.195 -18.167 -6.697 1.00 72.20 H new ATOM 0 HA SER A 19 -16.141 -16.369 -4.442 1.00 5.03 H new ATOM 0 HB2 SER A 19 -14.640 -18.823 -4.077 1.00 70.31 H new ATOM 0 HB3 SER A 19 -16.137 -18.326 -3.315 1.00 70.31 H new ATOM 0 HG SER A 19 -16.391 -20.260 -4.571 1.00 12.11 H new ATOM 297 N LYS A 20 -13.839 -15.496 -4.457 1.00 21.45 N ATOM 298 CA LYS A 20 -12.492 -14.939 -4.448 1.00 74.43 C ATOM 299 C LYS A 20 -11.561 -15.779 -3.581 1.00 44.01 C ATOM 300 O LYS A 20 -10.341 -15.728 -3.733 1.00 62.25 O ATOM 301 CB LYS A 20 -12.518 -13.497 -3.938 1.00 25.14 C ATOM 302 CG LYS A 20 -13.023 -13.366 -2.511 1.00 31.04 C ATOM 303 CD LYS A 20 -12.318 -12.242 -1.770 1.00 45.33 C ATOM 304 CE LYS A 20 -12.584 -10.893 -2.420 1.00 73.32 C ATOM 305 NZ LYS A 20 -12.936 -9.852 -1.414 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.530 -14.936 -3.958 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.115 -14.950 -5.471 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.512 -13.081 -3.998 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.150 -12.899 -4.595 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.097 -13.179 -2.520 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -12.867 -14.306 -1.981 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.655 -12.220 -0.734 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.245 -12.433 -1.752 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.701 -10.577 -2.976 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -13.396 -10.991 -3.141 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -12.796 -8.908 -1.828 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -13.931 -9.963 -1.133 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -12.327 -9.957 -0.578 1.00 24.23 H new ATOM 319 N GLU A 21 -12.145 -16.554 -2.671 1.00 64.52 N ATOM 320 CA GLU A 21 -11.367 -17.407 -1.781 1.00 11.33 C ATOM 321 C GLU A 21 -10.427 -18.309 -2.575 1.00 34.03 C ATOM 322 O GLU A 21 -9.301 -18.575 -2.153 1.00 42.53 O ATOM 323 CB GLU A 21 -12.295 -18.257 -0.911 1.00 34.13 C ATOM 324 CG GLU A 21 -13.427 -18.909 -1.688 1.00 74.01 C ATOM 325 CD GLU A 21 -13.969 -20.147 -0.999 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.204 -21.123 -0.847 1.00 12.41 O ATOM 327 OE2 GLU A 21 -15.156 -20.140 -0.613 1.00 42.41 O1- ATOM 0 H GLU A 21 -13.154 -16.608 -2.532 1.00 64.52 H new ATOM 0 HA GLU A 21 -10.767 -16.764 -1.137 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -11.709 -19.033 -0.419 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.718 -17.631 -0.125 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -14.234 -18.189 -1.821 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.073 -19.177 -2.683 1.00 74.01 H new ATOM 334 N ILE A 22 -10.898 -18.777 -3.726 1.00 11.12 N ATOM 335 CA ILE A 22 -10.101 -19.649 -4.579 1.00 52.11 C ATOM 336 C ILE A 22 -9.071 -18.851 -5.372 1.00 5.14 C ATOM 337 O ILE A 22 -8.038 -19.384 -5.780 1.00 62.02 O ATOM 338 CB ILE A 22 -10.987 -20.439 -5.560 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.014 -21.275 -4.794 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.130 -21.328 -6.450 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.447 -20.910 -5.111 1.00 40.42 C ATOM 0 H ILE A 22 -11.828 -18.567 -4.089 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.586 -20.349 -3.921 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.522 -19.732 -6.194 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -11.857 -22.329 -5.024 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.845 -21.153 -3.724 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.771 -21.880 -7.138 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.434 -20.711 -7.018 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.571 -22.031 -5.832 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.120 -21.543 -4.532 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.621 -19.865 -4.855 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.634 -21.059 -6.175 1.00 40.42 H new ATOM 353 N ILE A 23 -9.358 -17.571 -5.583 1.00 13.43 N ATOM 354 CA ILE A 23 -8.455 -16.699 -6.325 1.00 72.34 C ATOM 355 C ILE A 23 -7.132 -16.522 -5.586 1.00 55.40 C ATOM 356 O ILE A 23 -6.063 -16.550 -6.194 1.00 31.34 O ATOM 357 CB ILE A 23 -9.084 -15.313 -6.567 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.400 -15.454 -7.335 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.115 -14.419 -7.325 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.242 -16.105 -8.690 1.00 34.01 C ATOM 0 H ILE A 23 -10.208 -17.115 -5.251 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.271 -17.179 -7.286 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.296 -14.851 -5.603 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.098 -16.041 -6.738 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.843 -14.467 -7.465 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.572 -13.443 -7.489 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.201 -14.298 -6.744 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.876 -14.874 -8.286 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.215 -16.172 -9.177 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.569 -15.507 -9.305 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.828 -17.106 -8.567 1.00 34.01 H new ATOM 372 N ILE A 24 -7.214 -16.343 -4.272 1.00 51.31 N ATOM 373 CA ILE A 24 -6.024 -16.165 -3.450 1.00 74.21 C ATOM 374 C ILE A 24 -5.023 -17.292 -3.681 1.00 44.54 C ATOM 375 O ILE A 24 -3.813 -17.071 -3.672 1.00 32.23 O ATOM 376 CB ILE A 24 -6.377 -16.107 -1.952 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.255 -14.888 -1.661 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.110 -16.068 -1.110 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.703 -15.235 -1.396 1.00 31.23 C ATOM 0 H ILE A 24 -8.092 -16.317 -3.754 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.576 -15.217 -3.746 1.00 74.21 H new ATOM 0 HB ILE A 24 -6.936 -17.005 -1.690 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.853 -14.359 -0.797 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.203 -14.203 -2.507 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.376 -16.027 -0.054 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.519 -16.964 -1.301 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.526 -15.185 -1.371 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.265 -14.323 -1.198 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.122 -15.737 -2.268 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.766 -15.896 -0.531 1.00 31.23 H new ATOM 391 N GLU A 25 -5.538 -18.500 -3.891 1.00 72.53 N ATOM 392 CA GLU A 25 -4.688 -19.661 -4.126 1.00 43.13 C ATOM 393 C GLU A 25 -4.009 -19.572 -5.489 1.00 2.50 C ATOM 394 O GLU A 25 -2.914 -20.098 -5.684 1.00 34.42 O ATOM 395 CB GLU A 25 -5.510 -20.948 -4.037 1.00 73.04 C ATOM 396 CG GLU A 25 -6.228 -21.123 -2.709 1.00 44.41 C ATOM 397 CD GLU A 25 -5.322 -21.673 -1.625 1.00 73.01 C ATOM 398 OE1 GLU A 25 -4.988 -22.875 -1.685 1.00 32.20 O ATOM 399 OE2 GLU A 25 -4.948 -20.902 -0.717 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.538 -18.699 -3.903 1.00 72.53 H new ATOM 0 HA GLU A 25 -3.917 -19.676 -3.356 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.245 -20.955 -4.841 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -4.852 -21.801 -4.199 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.630 -20.162 -2.388 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.076 -21.795 -2.844 1.00 44.41 H new ATOM 406 N ALA A 26 -4.668 -18.902 -6.430 1.00 1.41 N ATOM 407 CA ALA A 26 -4.128 -18.742 -7.774 1.00 44.13 C ATOM 408 C ALA A 26 -2.818 -17.962 -7.750 1.00 13.13 C ATOM 409 O ALA A 26 -1.828 -18.374 -8.357 1.00 24.00 O ATOM 410 CB ALA A 26 -5.142 -18.047 -8.671 1.00 14.40 C ATOM 0 H ALA A 26 -5.577 -18.462 -6.285 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.923 -19.734 -8.177 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.725 -17.934 -9.672 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.052 -18.644 -8.722 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.376 -17.064 -8.262 1.00 14.40 H new ATOM 416 N ILE A 27 -2.818 -16.835 -7.047 1.00 44.10 N ATOM 417 CA ILE A 27 -1.629 -15.998 -6.944 1.00 13.45 C ATOM 418 C ILE A 27 -0.478 -16.757 -6.292 1.00 13.44 C ATOM 419 O ILE A 27 0.644 -16.757 -6.798 1.00 54.42 O ATOM 420 CB ILE A 27 -1.909 -14.719 -6.134 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.006 -13.892 -6.809 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.637 -13.897 -5.984 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.378 -14.104 -6.209 1.00 74.33 C ATOM 0 H ILE A 27 -3.629 -16.480 -6.540 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.349 -15.720 -7.960 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.253 -15.005 -5.140 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.748 -12.835 -6.740 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.039 -14.144 -7.869 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.852 -12.996 -5.409 1.00 13.51 H new ATOM 0 HG22 ILE A 27 0.119 -14.487 -5.465 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.266 -13.618 -6.970 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.105 -13.487 -6.737 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.658 -15.153 -6.302 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.361 -13.825 -5.155 1.00 74.33 H new ATOM 435 N GLU A 28 -0.765 -17.404 -5.166 1.00 54.21 N ATOM 436 CA GLU A 28 0.247 -18.167 -4.445 1.00 54.51 C ATOM 437 C GLU A 28 0.924 -19.178 -5.366 1.00 43.41 C ATOM 438 O GLU A 28 2.142 -19.155 -5.541 1.00 43.02 O ATOM 439 CB GLU A 28 -0.382 -18.889 -3.251 1.00 64.12 C ATOM 440 CG GLU A 28 -0.813 -17.956 -2.134 1.00 40.22 C ATOM 441 CD GLU A 28 -1.379 -18.698 -0.938 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.713 -19.893 -1.087 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -1.488 -18.085 0.144 1.00 63.03 O ATOM 0 H GLU A 28 -1.689 -17.415 -4.734 1.00 54.21 H new ATOM 0 HA GLU A 28 1.002 -17.470 -4.082 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.248 -19.455 -3.595 1.00 64.12 H new ATOM 0 HB3 GLU A 28 0.333 -19.610 -2.855 1.00 64.12 H new ATOM 0 HG2 GLU A 28 0.041 -17.359 -1.815 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.563 -17.262 -2.514 1.00 40.22 H new ATOM 450 N ALA A 29 0.125 -20.064 -5.951 1.00 30.04 N ATOM 451 CA ALA A 29 0.646 -21.082 -6.856 1.00 12.54 C ATOM 452 C ALA A 29 1.512 -20.458 -7.944 1.00 13.03 C ATOM 453 O ALA A 29 2.452 -21.081 -8.436 1.00 61.31 O ATOM 454 CB ALA A 29 -0.497 -21.873 -7.475 1.00 31.13 C ATOM 0 H ALA A 29 -0.885 -20.098 -5.815 1.00 30.04 H new ATOM 0 HA ALA A 29 1.271 -21.762 -6.277 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.093 -22.629 -8.148 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.072 -22.359 -6.687 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.145 -21.198 -8.034 1.00 31.13 H new ATOM 460 N ALA A 30 1.186 -19.225 -8.319 1.00 53.23 N ATOM 461 CA ALA A 30 1.935 -18.517 -9.350 1.00 23.45 C ATOM 462 C ALA A 30 3.305 -18.086 -8.835 1.00 61.02 C ATOM 463 O ALA A 30 4.324 -18.309 -9.490 1.00 51.44 O ATOM 464 CB ALA A 30 1.149 -17.308 -9.837 1.00 32.41 C ATOM 0 H ALA A 30 0.408 -18.696 -7.924 1.00 53.23 H new ATOM 0 HA ALA A 30 2.088 -19.199 -10.186 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.720 -16.789 -10.607 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.196 -17.637 -10.252 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.967 -16.632 -9.002 1.00 32.41 H new ATOM 470 N LEU A 31 3.323 -17.470 -7.658 1.00 5.35 N ATOM 471 CA LEU A 31 4.568 -17.007 -7.056 1.00 1.23 C ATOM 472 C LEU A 31 5.537 -18.168 -6.848 1.00 21.11 C ATOM 473 O LEU A 31 6.696 -18.103 -7.257 1.00 34.51 O ATOM 474 CB LEU A 31 4.286 -16.318 -5.720 1.00 45.33 C ATOM 475 CG LEU A 31 4.017 -14.814 -5.784 1.00 33.31 C ATOM 476 CD1 LEU A 31 5.200 -14.086 -6.404 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.745 -14.533 -6.571 1.00 43.31 C ATOM 0 H LEU A 31 2.489 -17.280 -7.102 1.00 5.35 H new ATOM 0 HA LEU A 31 5.028 -16.291 -7.737 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.425 -16.802 -5.259 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.137 -16.487 -5.060 1.00 45.33 H new ATOM 0 HG LEU A 31 3.881 -14.445 -4.767 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.990 -13.017 -6.441 1.00 53.12 H new ATOM 0 HD12 LEU A 31 6.091 -14.260 -5.801 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.367 -14.458 -7.415 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.569 -13.458 -6.606 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.853 -14.917 -7.586 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.901 -15.023 -6.085 1.00 43.31 H new ATOM 489 N ILE A 32 5.051 -19.229 -6.212 1.00 24.45 N ATOM 490 CA ILE A 32 5.873 -20.404 -5.953 1.00 71.03 C ATOM 491 C ILE A 32 6.412 -20.996 -7.251 1.00 24.23 C ATOM 492 O ILE A 32 7.570 -21.407 -7.324 1.00 63.05 O ATOM 493 CB ILE A 32 5.081 -21.490 -5.198 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.953 -22.727 -4.979 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.818 -21.852 -5.964 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.560 -23.534 -3.760 1.00 4.22 C ATOM 0 H ILE A 32 4.094 -19.299 -5.867 1.00 24.45 H new ATOM 0 HA ILE A 32 6.707 -20.075 -5.333 1.00 71.03 H new ATOM 0 HB ILE A 32 4.790 -21.097 -4.224 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.894 -23.364 -5.861 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.993 -22.416 -4.879 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.269 -22.620 -5.419 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.192 -20.966 -6.072 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.086 -22.230 -6.951 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.220 -24.396 -3.666 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.646 -22.912 -2.869 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.530 -23.875 -3.866 1.00 4.22 H new ATOM 508 N SER A 33 5.564 -21.034 -8.275 1.00 23.51 N ATOM 509 CA SER A 33 5.954 -21.576 -9.571 1.00 62.33 C ATOM 510 C SER A 33 7.007 -20.693 -10.234 1.00 1.44 C ATOM 511 O SER A 33 7.880 -21.181 -10.950 1.00 2.10 O ATOM 512 CB SER A 33 4.733 -21.705 -10.482 1.00 3.21 C ATOM 513 OG SER A 33 5.105 -21.639 -11.847 1.00 24.42 O ATOM 0 H SER A 33 4.603 -20.696 -8.231 1.00 23.51 H new ATOM 0 HA SER A 33 6.383 -22.565 -9.410 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.227 -22.650 -10.285 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.022 -20.910 -10.257 1.00 3.21 H new ATOM 0 HG SER A 33 4.306 -21.726 -12.408 1.00 24.42 H new ATOM 519 N ALA A 34 6.916 -19.390 -9.991 1.00 22.53 N ATOM 520 CA ALA A 34 7.860 -18.438 -10.563 1.00 1.34 C ATOM 521 C ALA A 34 9.245 -18.602 -9.948 1.00 52.14 C ATOM 522 O ALA A 34 10.258 -18.513 -10.643 1.00 62.24 O ATOM 523 CB ALA A 34 7.359 -17.014 -10.366 1.00 23.24 C ATOM 0 H ALA A 34 6.198 -18.969 -9.402 1.00 22.53 H new ATOM 0 HA ALA A 34 7.939 -18.640 -11.631 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.074 -16.314 -10.798 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.393 -16.897 -10.858 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.250 -16.811 -9.301 1.00 23.24 H new ATOM 529 N TYR A 35 9.283 -18.843 -8.642 1.00 60.44 N ATOM 530 CA TYR A 35 10.545 -19.017 -7.933 1.00 42.44 C ATOM 531 C TYR A 35 11.061 -20.445 -8.082 1.00 40.45 C ATOM 532 O TYR A 35 12.262 -20.699 -7.982 1.00 13.24 O ATOM 533 CB TYR A 35 10.374 -18.677 -6.452 1.00 14.41 C ATOM 534 CG TYR A 35 11.587 -19.004 -5.611 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.754 -20.268 -5.061 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.565 -18.049 -5.366 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.861 -20.572 -4.291 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.676 -18.343 -4.599 1.00 13.02 C ATOM 539 CZ TYR A 35 13.819 -19.607 -4.064 1.00 1.20 C ATOM 540 OH TYR A 35 14.923 -19.904 -3.298 1.00 72.42 O ATOM 0 H TYR A 35 8.454 -18.922 -8.053 1.00 60.44 H new ATOM 0 HA TYR A 35 11.276 -18.338 -8.372 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.151 -17.614 -6.355 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.514 -19.220 -6.060 1.00 14.41 H new ATOM 0 HD1 TYR A 35 11.006 -21.027 -5.238 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.455 -17.059 -5.783 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.975 -21.560 -3.870 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.428 -17.589 -4.419 1.00 13.02 H new ATOM 0 HH TYR A 35 15.501 -19.115 -3.237 1.00 72.42 H new ATOM 550 N LYS A 36 10.144 -21.376 -8.323 1.00 5.13 N ATOM 551 CA LYS A 36 10.503 -22.779 -8.488 1.00 11.15 C ATOM 552 C LYS A 36 11.302 -22.990 -9.769 1.00 32.14 C ATOM 553 O LYS A 36 12.200 -23.831 -9.822 1.00 62.43 O ATOM 554 CB LYS A 36 9.245 -23.650 -8.510 1.00 64.34 C ATOM 555 CG LYS A 36 9.535 -25.140 -8.478 1.00 20.30 C ATOM 556 CD LYS A 36 8.378 -25.921 -7.877 1.00 1.42 C ATOM 557 CE LYS A 36 8.345 -25.791 -6.362 1.00 45.53 C ATOM 558 NZ LYS A 36 9.049 -26.919 -5.693 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.146 -21.184 -8.408 1.00 5.13 H new ATOM 0 HA LYS A 36 11.125 -23.070 -7.641 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.620 -23.392 -7.655 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.670 -23.420 -9.407 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.728 -25.496 -9.490 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.439 -25.323 -7.898 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.438 -25.560 -8.295 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.466 -26.972 -8.151 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.808 -24.849 -6.068 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.310 -25.757 -6.023 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 9.004 -26.793 -4.662 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 8.592 -27.816 -5.953 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 10.044 -26.936 -5.997 1.00 21.13 H new ATOM 572 N ARG A 37 10.970 -22.219 -10.802 1.00 74.25 N ATOM 573 CA ARG A 37 11.658 -22.322 -12.083 1.00 53.51 C ATOM 574 C ARG A 37 13.157 -22.095 -11.916 1.00 13.30 C ATOM 575 O ARG A 37 13.957 -22.536 -12.740 1.00 74.35 O ATOM 576 CB ARG A 37 11.085 -21.308 -13.075 1.00 25.33 C ATOM 577 CG ARG A 37 9.769 -21.742 -13.699 1.00 1.44 C ATOM 578 CD ARG A 37 9.457 -20.942 -14.954 1.00 4.13 C ATOM 579 NE ARG A 37 8.093 -21.170 -15.424 1.00 22.22 N ATOM 580 CZ ARG A 37 7.601 -20.642 -16.538 1.00 71.43 C ATOM 581 NH1 ARG A 37 8.358 -19.858 -17.295 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 6.349 -20.897 -16.899 1.00 43.33 N ATOM 0 H ARG A 37 10.230 -21.518 -10.776 1.00 74.25 H new ATOM 0 HA ARG A 37 11.503 -23.329 -12.471 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.939 -20.356 -12.565 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.814 -21.136 -13.867 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.814 -22.803 -13.944 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.963 -21.616 -12.976 1.00 1.44 H new ATOM 0 HD2 ARG A 37 9.598 -19.880 -14.751 1.00 4.13 H new ATOM 0 HD3 ARG A 37 10.161 -21.212 -15.741 1.00 4.13 H new ATOM 0 HE ARG A 37 7.485 -21.768 -14.865 1.00 22.22 H new ATOM 0 HH11 ARG A 37 9.320 -19.660 -17.021 1.00 64.15 H new ATOM 0 HH12 ARG A 37 7.977 -19.454 -18.151 1.00 64.15 H new ATOM 0 HH21 ARG A 37 5.764 -21.499 -16.320 1.00 43.33 H new ATOM 0 HH22 ARG A 37 5.972 -20.491 -17.755 1.00 43.33 H new ATOM 596 N ASN A 38 13.529 -21.403 -10.844 1.00 64.14 N ATOM 597 CA ASN A 38 14.933 -21.116 -10.569 1.00 2.44 C ATOM 598 C ASN A 38 15.633 -22.338 -9.983 1.00 62.25 C ATOM 599 O ASN A 38 16.699 -22.740 -10.450 1.00 62.41 O ATOM 600 CB ASN A 38 15.054 -19.934 -9.605 1.00 14.03 C ATOM 601 CG ASN A 38 15.070 -18.600 -10.325 1.00 30.51 C ATOM 602 OD1 ASN A 38 16.117 -17.966 -10.458 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.905 -18.168 -10.794 1.00 43.51 N ATOM 0 H ASN A 38 12.879 -21.031 -10.152 1.00 64.14 H new ATOM 0 HA ASN A 38 15.417 -20.859 -11.511 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.221 -19.955 -8.903 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.967 -20.039 -9.019 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.853 -17.277 -11.288 1.00 43.51 H new ATOM 0 HD22 ASN A 38 13.062 -18.727 -10.660 1.00 43.51 H new ATOM 610 N PHE A 39 15.027 -22.926 -8.956 1.00 74.50 N ATOM 611 CA PHE A 39 15.592 -24.103 -8.306 1.00 13.22 C ATOM 612 C PHE A 39 14.512 -25.147 -8.039 1.00 13.23 C ATOM 613 O PHE A 39 14.146 -25.398 -6.892 1.00 12.23 O ATOM 614 CB PHE A 39 16.272 -23.708 -6.994 1.00 22.33 C ATOM 615 CG PHE A 39 17.584 -23.004 -7.186 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.623 -23.619 -7.864 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.778 -21.725 -6.687 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.832 -22.972 -8.044 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.984 -21.074 -6.864 1.00 73.20 C ATOM 620 CZ PHE A 39 20.013 -21.699 -7.543 1.00 41.30 C ATOM 0 H PHE A 39 14.145 -22.606 -8.556 1.00 74.50 H new ATOM 0 HA PHE A 39 16.334 -24.538 -8.976 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.602 -23.062 -6.427 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.434 -24.604 -6.394 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.488 -24.616 -8.257 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.978 -21.232 -6.154 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.634 -23.463 -8.576 1.00 20.44 H new ATOM 0 HE2 PHE A 39 19.122 -20.077 -6.472 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.957 -21.192 -7.681 1.00 41.30 H new ATOM 630 N ASN A 40 14.006 -25.753 -9.109 1.00 5.11 N ATOM 631 CA ASN A 40 12.967 -26.770 -8.990 1.00 31.44 C ATOM 632 C ASN A 40 13.555 -28.096 -8.519 1.00 13.21 C ATOM 633 O ASN A 40 13.090 -28.680 -7.542 1.00 10.21 O ATOM 634 CB ASN A 40 12.257 -26.961 -10.332 1.00 21.11 C ATOM 635 CG ASN A 40 13.230 -27.096 -11.487 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.879 -26.127 -11.883 1.00 34.12 O ATOM 637 ND2 ASN A 40 13.337 -28.301 -12.035 1.00 33.42 N ATOM 0 H ASN A 40 14.298 -25.558 -10.067 1.00 5.11 H new ATOM 0 HA ASN A 40 12.244 -26.431 -8.248 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.629 -27.850 -10.284 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.596 -26.113 -10.514 1.00 21.11 H new ATOM 0 HD21 ASN A 40 13.976 -28.451 -12.816 1.00 33.42 H new ATOM 0 HD22 ASN A 40 12.780 -29.076 -11.675 1.00 33.42 H new ATOM 644 N GLN A 41 14.582 -28.565 -9.223 1.00 42.41 N ATOM 645 CA GLN A 41 15.233 -29.822 -8.877 1.00 32.21 C ATOM 646 C GLN A 41 16.370 -29.592 -7.887 1.00 10.23 C ATOM 647 O GLN A 41 17.160 -30.495 -7.614 1.00 2.54 O ATOM 648 CB GLN A 41 15.768 -30.508 -10.135 1.00 24.30 C ATOM 649 CG GLN A 41 16.804 -29.683 -10.882 1.00 23.03 C ATOM 650 CD GLN A 41 17.465 -30.457 -12.007 1.00 60.23 C ATOM 651 OE1 GLN A 41 16.845 -30.737 -13.032 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.732 -30.808 -11.818 1.00 53.52 N ATOM 0 H GLN A 41 14.980 -28.093 -10.035 1.00 42.41 H new ATOM 0 HA GLN A 41 14.491 -30.468 -8.407 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.209 -31.465 -9.857 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.935 -30.723 -10.804 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.328 -28.792 -11.290 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.567 -29.344 -10.181 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.208 -30.555 -10.952 1.00 53.52 H new ATOM 0 HE22 GLN A 41 19.229 -31.331 -12.539 1.00 53.52 H new ATOM 661 N ALA A 42 16.447 -28.378 -7.354 1.00 53.10 N ATOM 662 CA ALA A 42 17.486 -28.029 -6.393 1.00 45.11 C ATOM 663 C ALA A 42 16.958 -28.102 -4.963 1.00 30.22 C ATOM 664 O ALA A 42 17.674 -28.512 -4.050 1.00 53.42 O ATOM 665 CB ALA A 42 18.030 -26.638 -6.685 1.00 52.01 C ATOM 0 H ALA A 42 15.802 -27.619 -7.571 1.00 53.10 H new ATOM 0 HA ALA A 42 18.295 -28.752 -6.492 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.805 -26.391 -5.960 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.453 -26.616 -7.689 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.222 -25.909 -6.615 1.00 52.01 H new ATOM 671 N GLN A 43 15.705 -27.702 -4.779 1.00 44.33 N ATOM 672 CA GLN A 43 15.083 -27.723 -3.459 1.00 63.21 C ATOM 673 C GLN A 43 13.625 -27.283 -3.537 1.00 62.24 C ATOM 674 O GLN A 43 13.256 -26.471 -4.385 1.00 74.55 O ATOM 675 CB GLN A 43 15.851 -26.814 -2.497 1.00 72.12 C ATOM 676 CG GLN A 43 15.177 -26.651 -1.145 1.00 43.55 C ATOM 677 CD GLN A 43 16.101 -26.064 -0.097 1.00 74.41 C ATOM 678 OE1 GLN A 43 17.306 -25.935 -0.318 1.00 53.02 O ATOM 679 NE2 GLN A 43 15.543 -25.703 1.052 1.00 50.05 N ATOM 0 H GLN A 43 15.100 -27.360 -5.526 1.00 44.33 H new ATOM 0 HA GLN A 43 15.115 -28.747 -3.086 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.852 -27.220 -2.348 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.970 -25.832 -2.955 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.304 -26.008 -1.254 1.00 43.55 H new ATOM 0 HG3 GLN A 43 14.817 -27.622 -0.804 1.00 43.55 H new ATOM 0 HE21 GLN A 43 14.541 -25.827 1.193 1.00 50.05 H new ATOM 0 HE22 GLN A 43 16.117 -25.301 1.794 1.00 50.05 H new ATOM 688 N ASN A 44 12.800 -27.825 -2.646 1.00 61.24 N ATOM 689 CA ASN A 44 11.381 -27.489 -2.616 1.00 5.03 C ATOM 690 C ASN A 44 11.165 -26.096 -2.030 1.00 45.14 C ATOM 691 O ASN A 44 12.121 -25.398 -1.692 1.00 15.42 O ATOM 692 CB ASN A 44 10.609 -28.525 -1.797 1.00 2.54 C ATOM 693 CG ASN A 44 11.042 -28.553 -0.344 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.981 -27.860 0.049 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.356 -29.356 0.461 1.00 2.43 N ATOM 0 H ASN A 44 13.090 -28.498 -1.936 1.00 61.24 H new ATOM 0 HA ASN A 44 11.009 -27.495 -3.640 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.543 -28.306 -1.851 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.754 -29.512 -2.236 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.600 -29.417 1.450 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.585 -29.912 0.091 1.00 2.43 H new ATOM 702 N VAL A 45 9.901 -25.701 -1.913 1.00 44.30 N ATOM 703 CA VAL A 45 9.558 -24.393 -1.367 1.00 71.11 C ATOM 704 C VAL A 45 8.050 -24.243 -1.205 1.00 24.13 C ATOM 705 O VAL A 45 7.273 -24.914 -1.886 1.00 24.45 O ATOM 706 CB VAL A 45 10.083 -23.255 -2.262 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.300 -23.196 -3.564 1.00 23.33 C ATOM 708 CG2 VAL A 45 10.014 -21.925 -1.528 1.00 21.34 C ATOM 0 H VAL A 45 9.099 -26.267 -2.189 1.00 44.30 H new ATOM 0 HA VAL A 45 10.034 -24.324 -0.389 1.00 71.11 H new ATOM 0 HB VAL A 45 11.127 -23.457 -2.502 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.685 -22.386 -4.184 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.406 -24.142 -4.096 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.247 -23.018 -3.347 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.389 -21.132 -2.175 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.980 -21.713 -1.256 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.624 -21.975 -0.626 1.00 21.34 H new ATOM 718 N ARG A 46 7.642 -23.359 -0.301 1.00 33.25 N ATOM 719 CA ARG A 46 6.225 -23.122 -0.050 1.00 13.25 C ATOM 720 C ARG A 46 5.945 -21.632 0.117 1.00 35.22 C ATOM 721 O ARG A 46 6.374 -21.013 1.091 1.00 45.34 O ATOM 722 CB ARG A 46 5.773 -23.880 1.200 1.00 60.23 C ATOM 723 CG ARG A 46 6.244 -25.324 1.241 1.00 34.50 C ATOM 724 CD ARG A 46 5.592 -26.154 0.147 1.00 54.54 C ATOM 725 NE ARG A 46 6.441 -27.264 -0.279 1.00 74.02 N ATOM 726 CZ ARG A 46 6.086 -28.149 -1.204 1.00 73.42 C ATOM 727 NH1 ARG A 46 4.903 -28.054 -1.795 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 6.914 -29.130 -1.538 1.00 42.44 N ATOM 0 H ARG A 46 8.272 -22.795 0.270 1.00 33.25 H new ATOM 0 HA ARG A 46 5.663 -23.486 -0.910 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.144 -23.361 2.083 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.684 -23.860 1.253 1.00 60.23 H new ATOM 0 HG2 ARG A 46 7.328 -25.358 1.128 1.00 34.50 H new ATOM 0 HG3 ARG A 46 6.012 -25.756 2.214 1.00 34.50 H new ATOM 0 HD2 ARG A 46 4.640 -26.544 0.507 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.372 -25.516 -0.709 1.00 54.54 H new ATOM 0 HE ARG A 46 7.357 -27.365 0.158 1.00 74.02 H new ATOM 0 HH11 ARG A 46 4.264 -27.301 -1.540 1.00 53.11 H new ATOM 0 HH12 ARG A 46 4.632 -28.734 -2.505 1.00 53.11 H new ATOM 0 HH21 ARG A 46 7.824 -29.206 -1.084 1.00 42.44 H new ATOM 0 HH22 ARG A 46 6.640 -29.809 -2.248 1.00 42.44 H new ATOM 742 N VAL A 47 5.221 -21.060 -0.841 1.00 13.15 N ATOM 743 CA VAL A 47 4.883 -19.643 -0.800 1.00 40.55 C ATOM 744 C VAL A 47 3.539 -19.418 -0.118 1.00 21.11 C ATOM 745 O VAL A 47 2.617 -20.222 -0.258 1.00 40.40 O ATOM 746 CB VAL A 47 4.835 -19.036 -2.216 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.452 -17.566 -2.154 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.172 -19.219 -2.918 1.00 3.11 C ATOM 0 H VAL A 47 4.858 -21.557 -1.654 1.00 13.15 H new ATOM 0 HA VAL A 47 5.666 -19.148 -0.226 1.00 40.55 H new ATOM 0 HB VAL A 47 4.073 -19.560 -2.793 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.423 -17.155 -3.163 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.470 -17.465 -1.693 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.188 -17.023 -1.562 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.121 -18.785 -3.917 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.955 -18.721 -2.345 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.400 -20.282 -2.996 1.00 3.11 H new ATOM 758 N ASP A 48 3.434 -18.319 0.622 1.00 31.11 N ATOM 759 CA ASP A 48 2.202 -17.987 1.327 1.00 72.44 C ATOM 760 C ASP A 48 1.824 -16.525 1.102 1.00 70.23 C ATOM 761 O ASP A 48 2.539 -15.616 1.526 1.00 21.40 O ATOM 762 CB ASP A 48 2.354 -18.262 2.824 1.00 33.25 C ATOM 763 CG ASP A 48 1.050 -18.686 3.470 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.005 -18.086 3.146 1.00 32.52 O1- ATOM 765 OD2 ASP A 48 1.075 -19.619 4.300 1.00 23.12 O ATOM 0 H ASP A 48 4.188 -17.643 0.749 1.00 31.11 H new ATOM 0 HA ASP A 48 1.405 -18.616 0.930 1.00 72.44 H new ATOM 0 HB2 ASP A 48 3.100 -19.042 2.973 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.727 -17.365 3.319 1.00 33.25 H new ATOM 770 N LEU A 49 0.698 -16.307 0.433 1.00 24.33 N ATOM 771 CA LEU A 49 0.225 -14.956 0.149 1.00 74.30 C ATOM 772 C LEU A 49 -0.704 -14.462 1.254 1.00 41.23 C ATOM 773 O LEU A 49 -1.553 -15.207 1.743 1.00 13.24 O ATOM 774 CB LEU A 49 -0.499 -14.919 -1.197 1.00 25.14 C ATOM 775 CG LEU A 49 -1.040 -13.556 -1.631 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.310 -13.062 -2.870 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.538 -13.634 -1.887 1.00 21.20 C ATOM 0 H LEU A 49 0.095 -17.048 0.077 1.00 24.33 H new ATOM 0 HA LEU A 49 1.091 -14.296 0.105 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.186 -15.277 -1.965 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.331 -15.622 -1.159 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.866 -12.844 -0.824 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.708 -12.091 -3.164 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.754 -12.967 -2.652 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.451 -13.774 -3.683 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.906 -12.655 -2.195 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.735 -14.360 -2.676 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.048 -13.942 -0.974 1.00 21.20 H new ATOM 789 N ASN A 50 -0.538 -13.201 1.640 1.00 2.14 N ATOM 790 CA ASN A 50 -1.364 -12.606 2.684 1.00 51.24 C ATOM 791 C ASN A 50 -2.256 -11.507 2.114 1.00 73.32 C ATOM 792 O ASN A 50 -1.815 -10.375 1.922 1.00 30.13 O ATOM 793 CB ASN A 50 -0.482 -12.037 3.797 1.00 23.52 C ATOM 794 CG ASN A 50 0.022 -13.111 4.742 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.058 -14.292 4.395 1.00 42.53 O ATOM 796 ND2 ASN A 50 0.414 -12.705 5.944 1.00 44.50 N ATOM 0 H ASN A 50 0.161 -12.572 1.245 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.002 -13.387 3.097 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.368 -11.519 3.354 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.048 -11.296 4.362 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.762 -13.382 6.623 1.00 44.50 H new ATOM 0 HD22 ASN A 50 0.367 -11.716 6.189 1.00 44.50 H new ATOM 803 N ARG A 51 -3.512 -11.852 1.847 1.00 0.13 N ATOM 804 CA ARG A 51 -4.466 -10.895 1.299 1.00 51.01 C ATOM 805 C ARG A 51 -4.822 -9.830 2.331 1.00 31.24 C ATOM 806 O ARG A 51 -5.441 -8.818 2.004 1.00 2.24 O ATOM 807 CB ARG A 51 -5.733 -11.616 0.834 1.00 21.12 C ATOM 808 CG ARG A 51 -6.473 -12.328 1.954 1.00 33.14 C ATOM 809 CD ARG A 51 -7.890 -12.693 1.541 1.00 3.53 C ATOM 810 NE ARG A 51 -8.770 -12.862 2.694 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.053 -13.194 2.598 1.00 72.34 C ATOM 812 NH1 ARG A 51 -10.602 -13.391 1.407 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -10.789 -13.328 3.693 1.00 73.32 N ATOM 0 H ARG A 51 -3.892 -12.786 2.001 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.001 -10.405 0.444 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.403 -10.893 0.369 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.467 -12.343 0.066 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -5.930 -13.231 2.234 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.503 -11.688 2.836 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.290 -11.915 0.891 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -7.872 -13.615 0.960 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.378 -12.717 3.625 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -10.039 -13.288 0.563 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -11.587 -13.646 1.335 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.370 -13.176 4.611 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -11.774 -13.583 3.618 1.00 73.32 H new ATOM 827 N GLU A 52 -4.428 -10.067 3.578 1.00 34.15 N ATOM 828 CA GLU A 52 -4.707 -9.128 4.658 1.00 24.22 C ATOM 829 C GLU A 52 -3.900 -7.844 4.487 1.00 0.20 C ATOM 830 O GLU A 52 -4.415 -6.743 4.676 1.00 22.35 O ATOM 831 CB GLU A 52 -4.391 -9.766 6.013 1.00 52.12 C ATOM 832 CG GLU A 52 -2.960 -10.264 6.132 1.00 75.31 C ATOM 833 CD GLU A 52 -2.705 -10.999 7.432 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.013 -10.437 8.504 1.00 52.33 O1- ATOM 835 OE2 GLU A 52 -2.197 -12.140 7.379 1.00 11.41 O ATOM 0 H GLU A 52 -3.915 -10.901 3.865 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.767 -8.877 4.621 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.580 -9.037 6.801 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.072 -10.600 6.180 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.739 -10.926 5.295 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.277 -9.418 6.058 1.00 75.31 H new ATOM 842 N THR A 53 -2.629 -7.996 4.127 1.00 23.40 N ATOM 843 CA THR A 53 -1.748 -6.851 3.932 1.00 34.31 C ATOM 844 C THR A 53 -1.089 -6.893 2.557 1.00 54.44 C ATOM 845 O THR A 53 -0.085 -6.224 2.320 1.00 31.00 O ATOM 846 CB THR A 53 -0.651 -6.794 5.013 1.00 73.11 C ATOM 847 OG1 THR A 53 0.295 -7.849 4.806 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.257 -6.915 6.404 1.00 32.42 C ATOM 0 H THR A 53 -2.187 -8.901 3.965 1.00 23.40 H new ATOM 0 HA THR A 53 -2.369 -5.958 4.008 1.00 34.31 H new ATOM 0 HB THR A 53 -0.144 -5.832 4.936 1.00 73.11 H new ATOM 0 HG1 THR A 53 1.107 -7.484 4.396 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.464 -6.872 7.151 1.00 32.42 H new ATOM 0 HG22 THR A 53 -1.956 -6.095 6.569 1.00 32.42 H new ATOM 0 HG23 THR A 53 -1.785 -7.865 6.489 1.00 32.42 H new ATOM 856 N GLY A 54 -1.662 -7.683 1.655 1.00 23.41 N ATOM 857 CA GLY A 54 -1.116 -7.797 0.315 1.00 44.31 C ATOM 858 C GLY A 54 0.357 -8.153 0.317 1.00 5.13 C ATOM 859 O GLY A 54 1.079 -7.840 -0.629 1.00 74.51 O ATOM 0 H GLY A 54 -2.495 -8.246 1.828 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.670 -8.557 -0.236 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.258 -6.854 -0.213 1.00 44.31 H new ATOM 863 N SER A 55 0.804 -8.808 1.384 1.00 33.40 N ATOM 864 CA SER A 55 2.202 -9.203 1.508 1.00 75.11 C ATOM 865 C SER A 55 2.400 -10.650 1.069 1.00 63.23 C ATOM 866 O SER A 55 1.433 -11.367 0.807 1.00 45.55 O ATOM 867 CB SER A 55 2.678 -9.027 2.951 1.00 55.25 C ATOM 868 OG SER A 55 2.912 -7.661 3.248 1.00 71.01 O ATOM 0 H SER A 55 0.218 -9.076 2.175 1.00 33.40 H new ATOM 0 HA SER A 55 2.794 -8.560 0.856 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.930 -9.428 3.635 1.00 55.25 H new ATOM 0 HB3 SER A 55 3.593 -9.598 3.108 1.00 55.25 H new ATOM 0 HG SER A 55 3.214 -7.575 4.176 1.00 71.01 H new ATOM 874 N ILE A 56 3.657 -11.071 0.989 1.00 3.53 N ATOM 875 CA ILE A 56 3.982 -12.433 0.583 1.00 74.13 C ATOM 876 C ILE A 56 5.277 -12.907 1.234 1.00 0.40 C ATOM 877 O ILE A 56 6.222 -12.135 1.393 1.00 42.33 O ATOM 878 CB ILE A 56 4.119 -12.546 -0.947 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.971 -14.005 -1.388 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.456 -11.982 -1.403 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.618 -14.321 -1.985 1.00 3.04 C ATOM 0 H ILE A 56 4.468 -10.489 1.200 1.00 3.53 H new ATOM 0 HA ILE A 56 3.159 -13.066 0.914 1.00 74.13 H new ATOM 0 HB ILE A 56 3.324 -11.963 -1.412 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.745 -14.235 -2.120 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.141 -14.655 -0.529 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.537 -12.069 -2.486 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.525 -10.932 -1.117 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.266 -12.540 -0.932 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.584 -15.371 -2.275 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.840 -14.123 -1.248 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.453 -13.697 -2.863 1.00 3.04 H new ATOM 893 N ARG A 57 5.313 -14.183 1.606 1.00 32.14 N ATOM 894 CA ARG A 57 6.493 -14.760 2.239 1.00 64.45 C ATOM 895 C ARG A 57 6.787 -16.147 1.675 1.00 32.01 C ATOM 896 O ARG A 57 5.908 -17.007 1.622 1.00 32.22 O ATOM 897 CB ARG A 57 6.295 -14.845 3.753 1.00 61.04 C ATOM 898 CG ARG A 57 6.244 -13.488 4.437 1.00 70.51 C ATOM 899 CD ARG A 57 7.630 -12.875 4.563 1.00 15.33 C ATOM 900 NE ARG A 57 7.572 -11.455 4.900 1.00 71.31 N ATOM 901 CZ ARG A 57 7.222 -10.997 6.096 1.00 72.11 C ATOM 902 NH1 ARG A 57 6.899 -11.843 7.065 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 7.193 -9.691 6.325 1.00 34.43 N ATOM 0 H ARG A 57 4.540 -14.836 1.480 1.00 32.14 H new ATOM 0 HA ARG A 57 7.343 -14.112 2.027 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.370 -15.382 3.960 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.107 -15.430 4.185 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.599 -12.817 3.870 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.801 -13.595 5.427 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.193 -13.407 5.330 1.00 15.33 H new ATOM 0 HD3 ARG A 57 8.170 -13.003 3.625 1.00 15.33 H new ATOM 0 HE ARG A 57 7.814 -10.778 4.177 1.00 71.31 H new ATOM 0 HH11 ARG A 57 6.919 -12.848 6.892 1.00 34.40 H new ATOM 0 HH12 ARG A 57 6.630 -11.489 7.983 1.00 34.40 H new ATOM 0 HH21 ARG A 57 7.440 -9.037 5.582 1.00 34.43 H new ATOM 0 HH22 ARG A 57 6.924 -9.340 7.244 1.00 34.43 H new ATOM 917 N VAL A 58 8.031 -16.359 1.257 1.00 42.34 N ATOM 918 CA VAL A 58 8.442 -17.641 0.698 1.00 43.54 C ATOM 919 C VAL A 58 9.377 -18.380 1.649 1.00 10.15 C ATOM 920 O VAL A 58 10.449 -17.883 1.994 1.00 73.04 O ATOM 921 CB VAL A 58 9.145 -17.463 -0.660 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.336 -18.808 -1.344 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.355 -16.512 -1.547 1.00 4.35 C ATOM 0 H VAL A 58 8.772 -15.659 1.295 1.00 42.34 H new ATOM 0 HA VAL A 58 7.535 -18.228 0.554 1.00 43.54 H new ATOM 0 HB VAL A 58 10.130 -17.029 -0.486 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.834 -18.661 -2.302 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.946 -19.454 -0.713 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.364 -19.274 -1.508 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.866 -16.397 -2.503 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.357 -16.916 -1.715 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.276 -15.541 -1.059 1.00 4.35 H new ATOM 933 N PHE A 59 8.964 -19.572 2.068 1.00 1.31 N ATOM 934 CA PHE A 59 9.766 -20.380 2.980 1.00 44.44 C ATOM 935 C PHE A 59 10.115 -21.725 2.351 1.00 1.24 C ATOM 936 O PHE A 59 9.342 -22.275 1.566 1.00 3.23 O ATOM 937 CB PHE A 59 9.014 -20.600 4.295 1.00 43.13 C ATOM 938 CG PHE A 59 8.566 -19.323 4.950 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.484 -18.488 5.568 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.230 -18.961 4.948 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.074 -17.314 6.172 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.814 -17.788 5.549 1.00 52.11 C ATOM 943 CZ PHE A 59 7.738 -16.962 6.161 1.00 33.22 C ATOM 0 H PHE A 59 8.080 -19.999 1.791 1.00 1.31 H new ATOM 0 HA PHE A 59 10.692 -19.842 3.184 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.143 -21.227 4.106 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.657 -21.147 4.985 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.530 -18.757 5.578 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.504 -19.603 4.471 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.798 -16.672 6.652 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.769 -17.517 5.540 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.416 -16.044 6.629 1.00 33.22 H new ATOM 953 N ALA A 60 11.285 -22.250 2.701 1.00 64.33 N ATOM 954 CA ALA A 60 11.736 -23.531 2.172 1.00 61.55 C ATOM 955 C ALA A 60 11.512 -24.652 3.182 1.00 45.11 C ATOM 956 O ALA A 60 11.971 -24.575 4.322 1.00 31.21 O ATOM 957 CB ALA A 60 13.206 -23.454 1.785 1.00 21.41 C ATOM 0 H ALA A 60 11.937 -21.808 3.349 1.00 64.33 H new ATOM 0 HA ALA A 60 11.148 -23.756 1.282 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.530 -24.418 1.391 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.342 -22.687 1.023 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.801 -23.203 2.663 1.00 21.41 H new ATOM 963 N ARG A 61 10.803 -25.693 2.756 1.00 41.23 N ATOM 964 CA ARG A 61 10.516 -26.828 3.624 1.00 72.14 C ATOM 965 C ARG A 61 11.656 -27.842 3.588 1.00 20.13 C ATOM 966 O ARG A 61 11.894 -28.488 2.567 1.00 1.01 O ATOM 967 CB ARG A 61 9.208 -27.500 3.204 1.00 64.24 C ATOM 968 CG ARG A 61 8.535 -28.277 4.324 1.00 32.03 C ATOM 969 CD ARG A 61 7.416 -29.160 3.795 1.00 70.43 C ATOM 970 NE ARG A 61 6.318 -29.285 4.751 1.00 4.21 N ATOM 971 CZ ARG A 61 5.497 -28.288 5.060 1.00 31.53 C ATOM 972 NH1 ARG A 61 5.647 -27.100 4.491 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 4.522 -28.479 5.939 1.00 24.30 N ATOM 0 H ARG A 61 10.417 -25.773 1.815 1.00 41.23 H new ATOM 0 HA ARG A 61 10.415 -26.457 4.644 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.520 -26.739 2.837 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.408 -28.176 2.373 1.00 64.24 H new ATOM 0 HG2 ARG A 61 9.274 -28.893 4.837 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.134 -27.581 5.061 1.00 32.03 H new ATOM 0 HD2 ARG A 61 7.038 -28.745 2.861 1.00 70.43 H new ATOM 0 HD3 ARG A 61 7.812 -30.149 3.567 1.00 70.43 H new ATOM 0 HE ARG A 61 6.174 -30.187 5.206 1.00 4.21 H new ATOM 0 HH11 ARG A 61 6.395 -26.950 3.814 1.00 71.04 H new ATOM 0 HH12 ARG A 61 5.015 -26.336 4.731 1.00 71.04 H new ATOM 0 HH21 ARG A 61 4.403 -29.392 6.378 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.892 -27.713 6.176 1.00 24.30 H new ATOM 987 N LYS A 62 12.358 -27.975 4.707 1.00 10.33 N ATOM 988 CA LYS A 62 13.473 -28.910 4.805 1.00 21.43 C ATOM 989 C LYS A 62 13.100 -30.112 5.665 1.00 75.40 C ATOM 990 O LYS A 62 12.395 -29.978 6.665 1.00 2.42 O ATOM 991 CB LYS A 62 14.701 -28.211 5.392 1.00 43.22 C ATOM 992 CG LYS A 62 15.508 -27.434 4.364 1.00 41.54 C ATOM 993 CD LYS A 62 16.240 -26.263 5.000 1.00 43.23 C ATOM 994 CE LYS A 62 17.493 -25.899 4.219 1.00 43.44 C ATOM 995 NZ LYS A 62 18.522 -25.262 5.086 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.175 -27.447 5.560 1.00 10.33 H new ATOM 0 HA LYS A 62 13.709 -29.263 3.801 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.379 -27.530 6.180 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.345 -28.957 5.859 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.228 -28.099 3.887 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.845 -27.068 3.580 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.576 -25.400 5.048 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.510 -26.515 6.026 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.909 -26.797 3.761 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.231 -25.220 3.408 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.360 -25.029 4.516 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.134 -24.392 5.503 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 18.791 -25.920 5.845 1.00 24.24 H new ATOM 1009 N ASP A 63 13.580 -31.287 5.272 1.00 23.54 N ATOM 1010 CA ASP A 63 13.299 -32.513 6.009 1.00 42.41 C ATOM 1011 C ASP A 63 14.196 -32.626 7.238 1.00 73.33 C ATOM 1012 O ASP A 63 15.414 -32.764 7.121 1.00 62.32 O ATOM 1013 CB ASP A 63 13.495 -33.733 5.106 1.00 73.01 C ATOM 1014 CG ASP A 63 12.212 -34.513 4.901 1.00 64.14 C ATOM 1015 OD1 ASP A 63 11.428 -34.630 5.866 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.992 -35.007 3.775 1.00 60.22 O1- ATOM 0 H ASP A 63 14.166 -31.416 4.447 1.00 23.54 H new ATOM 0 HA ASP A 63 12.261 -32.478 6.340 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.878 -33.408 4.139 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.249 -34.388 5.543 1.00 73.01 H new ATOM 1021 N VAL A 64 13.585 -32.566 8.418 1.00 22.25 N ATOM 1022 CA VAL A 64 14.327 -32.661 9.668 1.00 63.30 C ATOM 1023 C VAL A 64 14.802 -34.088 9.918 1.00 51.12 C ATOM 1024 O VAL A 64 13.996 -35.001 10.098 1.00 75.14 O ATOM 1025 CB VAL A 64 13.472 -32.200 10.864 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.252 -32.339 12.163 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.006 -30.766 10.664 1.00 14.04 C ATOM 0 H VAL A 64 12.578 -32.452 8.533 1.00 22.25 H new ATOM 0 HA VAL A 64 15.192 -32.004 9.574 1.00 63.30 H new ATOM 0 HB VAL A 64 12.591 -32.839 10.926 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.632 -32.009 12.997 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.532 -33.382 12.310 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.152 -31.726 12.115 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.403 -30.457 11.518 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.873 -30.111 10.575 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.407 -30.701 9.755 1.00 14.04 H new ATOM 1037 N VAL A 65 16.118 -34.275 9.929 1.00 11.54 N ATOM 1038 CA VAL A 65 16.702 -35.590 10.158 1.00 13.21 C ATOM 1039 C VAL A 65 17.997 -35.485 10.957 1.00 31.21 C ATOM 1040 O VAL A 65 18.646 -34.440 10.972 1.00 25.11 O ATOM 1041 CB VAL A 65 16.990 -36.317 8.831 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.706 -36.507 8.037 1.00 54.12 C ATOM 1043 CG2 VAL A 65 18.021 -35.549 8.017 1.00 31.51 C ATOM 0 H VAL A 65 16.800 -33.531 9.782 1.00 11.54 H new ATOM 0 HA VAL A 65 15.971 -36.165 10.727 1.00 13.21 H new ATOM 0 HB VAL A 65 17.399 -37.302 9.057 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.929 -37.022 7.103 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.002 -37.101 8.620 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.266 -35.534 7.819 1.00 54.12 H new ATOM 0 HG21 VAL A 65 18.213 -36.076 7.083 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.642 -34.551 7.799 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.948 -35.469 8.586 1.00 31.51 H new ATOM 1053 N ASP A 66 18.365 -36.575 11.622 1.00 62.52 N ATOM 1054 CA ASP A 66 19.584 -36.607 12.422 1.00 23.33 C ATOM 1055 C ASP A 66 20.817 -36.420 11.544 1.00 21.04 C ATOM 1056 O ASP A 66 21.786 -35.779 11.948 1.00 0.24 O ATOM 1057 CB ASP A 66 19.682 -37.928 13.187 1.00 11.32 C ATOM 1058 CG ASP A 66 20.956 -38.031 14.003 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.090 -37.279 14.991 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.819 -38.863 13.653 1.00 32.13 O ATOM 0 H ASP A 66 17.837 -37.448 11.623 1.00 62.52 H new ATOM 0 HA ASP A 66 19.542 -35.784 13.136 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.821 -38.026 13.849 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.638 -38.757 12.481 1.00 11.32 H new ATOM 1065 N GLU A 67 20.772 -36.987 10.343 1.00 15.03 N ATOM 1066 CA GLU A 67 21.888 -36.884 9.408 1.00 31.11 C ATOM 1067 C GLU A 67 21.391 -36.564 8.001 1.00 50.23 C ATOM 1068 O GLU A 67 20.403 -37.131 7.535 1.00 63.43 O ATOM 1069 CB GLU A 67 22.691 -38.186 9.393 1.00 55.42 C ATOM 1070 CG GLU A 67 23.528 -38.400 10.643 1.00 72.25 C ATOM 1071 CD GLU A 67 24.849 -37.656 10.594 1.00 31.21 C ATOM 1072 OE1 GLU A 67 25.169 -37.086 9.531 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 25.562 -37.648 11.619 1.00 71.05 O ATOM 0 H GLU A 67 19.977 -37.522 9.994 1.00 15.03 H new ATOM 0 HA GLU A 67 22.534 -36.071 9.740 1.00 31.11 H new ATOM 0 HB2 GLU A 67 22.005 -39.025 9.278 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.347 -38.189 8.522 1.00 55.42 H new ATOM 0 HG2 GLU A 67 22.962 -38.072 11.515 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.720 -39.466 10.770 1.00 72.25 H new ATOM 1080 N VAL A 68 22.083 -35.649 7.330 1.00 15.43 N ATOM 1081 CA VAL A 68 21.714 -35.252 5.977 1.00 65.11 C ATOM 1082 C VAL A 68 21.605 -36.464 5.059 1.00 4.00 C ATOM 1083 O VAL A 68 22.598 -37.139 4.783 1.00 42.11 O ATOM 1084 CB VAL A 68 22.736 -34.263 5.383 1.00 61.52 C ATOM 1085 CG1 VAL A 68 22.356 -33.896 3.957 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.840 -33.020 6.254 1.00 63.52 C ATOM 0 H VAL A 68 22.902 -35.169 7.702 1.00 15.43 H new ATOM 0 HA VAL A 68 20.743 -34.762 6.045 1.00 65.11 H new ATOM 0 HB VAL A 68 23.713 -34.745 5.360 1.00 61.52 H new ATOM 0 HG11 VAL A 68 23.089 -33.197 3.554 1.00 71.34 H new ATOM 0 HG12 VAL A 68 22.337 -34.796 3.343 1.00 71.34 H new ATOM 0 HG13 VAL A 68 21.370 -33.431 3.951 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.566 -32.332 5.821 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.867 -32.533 6.310 1.00 63.52 H new ATOM 0 HG23 VAL A 68 23.162 -33.304 7.256 1.00 63.52 H new ATOM 1096 N TYR A 69 20.392 -36.735 4.589 1.00 32.10 N ATOM 1097 CA TYR A 69 20.153 -37.868 3.703 1.00 32.14 C ATOM 1098 C TYR A 69 19.679 -37.397 2.332 1.00 61.22 C ATOM 1099 O TYR A 69 19.797 -38.117 1.340 1.00 10.20 O ATOM 1100 CB TYR A 69 19.116 -38.812 4.316 1.00 62.24 C ATOM 1101 CG TYR A 69 19.720 -39.896 5.180 1.00 44.51 C ATOM 1102 CD1 TYR A 69 20.387 -40.974 4.612 1.00 73.44 C ATOM 1103 CD2 TYR A 69 19.624 -39.842 6.566 1.00 23.33 C ATOM 1104 CE1 TYR A 69 20.940 -41.966 5.397 1.00 1.01 C ATOM 1105 CE2 TYR A 69 20.175 -40.829 7.359 1.00 60.10 C ATOM 1106 CZ TYR A 69 20.832 -41.890 6.770 1.00 34.24 C ATOM 1107 OH TYR A 69 21.381 -42.875 7.557 1.00 60.13 O ATOM 0 H TYR A 69 19.560 -36.186 4.807 1.00 32.10 H new ATOM 0 HA TYR A 69 21.094 -38.403 3.578 1.00 32.14 H new ATOM 0 HB2 TYR A 69 18.416 -38.230 4.915 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.541 -39.276 3.515 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.475 -41.037 3.537 1.00 73.44 H new ATOM 0 HD2 TYR A 69 19.110 -39.014 7.030 1.00 23.33 H new ATOM 0 HE1 TYR A 69 21.455 -42.797 4.938 1.00 1.01 H new ATOM 0 HE2 TYR A 69 20.092 -40.771 8.434 1.00 60.10 H new ATOM 0 HH TYR A 69 21.217 -42.669 8.501 1.00 60.13 H new ATOM 1117 N ASP A 70 19.143 -36.182 2.284 1.00 20.02 N ATOM 1118 CA ASP A 70 18.652 -35.612 1.034 1.00 33.31 C ATOM 1119 C ASP A 70 19.512 -34.427 0.603 1.00 24.14 C ATOM 1120 O ASP A 70 19.298 -33.300 1.046 1.00 24.10 O ATOM 1121 CB ASP A 70 17.196 -35.172 1.187 1.00 13.03 C ATOM 1122 CG ASP A 70 16.237 -36.345 1.225 1.00 63.42 C ATOM 1123 OD1 ASP A 70 15.952 -36.912 0.149 1.00 60.34 O ATOM 1124 OD2 ASP A 70 15.771 -36.697 2.329 1.00 62.25 O1- ATOM 0 H ASP A 70 19.037 -35.573 3.096 1.00 20.02 H new ATOM 0 HA ASP A 70 18.712 -36.381 0.264 1.00 33.31 H new ATOM 0 HB2 ASP A 70 17.090 -34.590 2.103 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.929 -34.515 0.359 1.00 13.03 H new ATOM 1129 N GLN A 71 20.485 -34.693 -0.262 1.00 45.13 N ATOM 1130 CA GLN A 71 21.377 -33.650 -0.752 1.00 73.34 C ATOM 1131 C GLN A 71 20.587 -32.512 -1.389 1.00 44.25 C ATOM 1132 O GLN A 71 21.050 -31.371 -1.435 1.00 55.10 O ATOM 1133 CB GLN A 71 22.367 -34.228 -1.764 1.00 71.25 C ATOM 1134 CG GLN A 71 23.474 -33.262 -2.154 1.00 52.44 C ATOM 1135 CD GLN A 71 24.722 -33.971 -2.643 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.701 -34.651 -3.669 1.00 34.54 O ATOM 1137 NE2 GLN A 71 25.818 -33.814 -1.910 1.00 51.40 N ATOM 0 H GLN A 71 20.675 -35.622 -0.638 1.00 45.13 H new ATOM 0 HA GLN A 71 21.930 -33.252 0.099 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.814 -35.130 -1.347 1.00 71.25 H new ATOM 0 HB3 GLN A 71 21.824 -34.526 -2.661 1.00 71.25 H new ATOM 0 HG2 GLN A 71 23.110 -32.595 -2.935 1.00 52.44 H new ATOM 0 HG3 GLN A 71 23.727 -32.640 -1.296 1.00 52.44 H new ATOM 0 HE21 GLN A 71 25.790 -33.241 -1.067 1.00 51.40 H new ATOM 0 HE22 GLN A 71 26.688 -34.266 -2.190 1.00 51.40 H new ATOM 1146 N ARG A 72 19.393 -32.829 -1.880 1.00 4.45 N ATOM 1147 CA ARG A 72 18.540 -31.834 -2.516 1.00 31.14 C ATOM 1148 C ARG A 72 17.988 -30.852 -1.486 1.00 3.13 C ATOM 1149 O ARG A 72 17.945 -29.645 -1.724 1.00 25.45 O ATOM 1150 CB ARG A 72 17.387 -32.517 -3.254 1.00 14.31 C ATOM 1151 CG ARG A 72 16.530 -33.400 -2.362 1.00 43.23 C ATOM 1152 CD ARG A 72 15.487 -34.160 -3.166 1.00 44.31 C ATOM 1153 NE ARG A 72 16.087 -35.202 -3.995 1.00 31.03 N ATOM 1154 CZ ARG A 72 15.380 -36.074 -4.705 1.00 1.35 C ATOM 1155 NH1 ARG A 72 14.055 -36.030 -4.686 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 15.999 -36.993 -5.435 1.00 72.31 N ATOM 0 H ARG A 72 18.995 -33.768 -1.849 1.00 4.45 H new ATOM 0 HA ARG A 72 19.144 -31.279 -3.234 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.756 -31.754 -3.709 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.793 -33.121 -4.066 1.00 14.31 H new ATOM 0 HG2 ARG A 72 17.166 -34.107 -1.829 1.00 43.23 H new ATOM 0 HG3 ARG A 72 16.035 -32.787 -1.609 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.763 -34.609 -2.487 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.939 -33.463 -3.800 1.00 44.31 H new ATOM 0 HE ARG A 72 17.105 -35.263 -4.031 1.00 31.03 H new ATOM 0 HH11 ARG A 72 13.576 -35.325 -4.125 1.00 20.14 H new ATOM 0 HH12 ARG A 72 13.515 -36.701 -5.232 1.00 20.14 H new ATOM 0 HH21 ARG A 72 17.018 -37.030 -5.451 1.00 72.31 H new ATOM 0 HH22 ARG A 72 15.456 -37.662 -5.980 1.00 72.31 H new ATOM 1170 N LEU A 73 17.567 -31.379 -0.341 1.00 3.20 N ATOM 1171 CA LEU A 73 17.017 -30.550 0.726 1.00 51.45 C ATOM 1172 C LEU A 73 16.908 -31.339 2.026 1.00 42.22 C ATOM 1173 O LEU A 73 16.226 -32.360 2.088 1.00 32.31 O ATOM 1174 CB LEU A 73 15.642 -30.014 0.325 1.00 24.54 C ATOM 1175 CG LEU A 73 14.538 -31.058 0.154 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.632 -31.081 1.376 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.731 -30.779 -1.106 1.00 14.14 C ATOM 0 H LEU A 73 17.596 -32.376 -0.128 1.00 3.20 H new ATOM 0 HA LEU A 73 17.694 -29.711 0.887 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.321 -29.295 1.079 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.746 -29.468 -0.613 1.00 24.54 H new ATOM 0 HG LEU A 73 15.003 -32.039 0.053 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.852 -31.830 1.237 1.00 70.54 H new ATOM 0 HD12 LEU A 73 14.220 -31.329 2.260 1.00 70.54 H new ATOM 0 HD13 LEU A 73 13.174 -30.101 1.508 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.950 -31.532 -1.212 1.00 14.14 H new ATOM 0 HD22 LEU A 73 13.276 -29.791 -1.035 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.389 -30.814 -1.975 1.00 14.14 H new ATOM 1189 N GLU A 74 17.584 -30.855 3.065 1.00 52.14 N ATOM 1190 CA GLU A 74 17.562 -31.515 4.365 1.00 53.33 C ATOM 1191 C GLU A 74 18.061 -30.577 5.460 1.00 31.14 C ATOM 1192 O GLU A 74 18.792 -29.624 5.189 1.00 54.40 O ATOM 1193 CB GLU A 74 18.420 -32.782 4.333 1.00 34.50 C ATOM 1194 CG GLU A 74 17.962 -33.851 5.311 1.00 5.55 C ATOM 1195 CD GLU A 74 17.172 -34.957 4.639 1.00 50.11 C ATOM 1196 OE1 GLU A 74 16.055 -34.677 4.154 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.668 -36.101 4.599 1.00 54.12 O1- ATOM 0 H GLU A 74 18.153 -30.009 3.031 1.00 52.14 H new ATOM 0 HA GLU A 74 16.531 -31.789 4.588 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.407 -33.194 3.324 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.454 -32.517 4.555 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.832 -34.281 5.807 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.349 -33.391 6.086 1.00 5.55 H new ATOM 1204 N ILE A 75 17.660 -30.855 6.696 1.00 62.14 N ATOM 1205 CA ILE A 75 18.067 -30.037 7.832 1.00 30.31 C ATOM 1206 C ILE A 75 18.366 -30.900 9.052 1.00 75.04 C ATOM 1207 O ILE A 75 17.542 -31.714 9.468 1.00 14.04 O ATOM 1208 CB ILE A 75 16.983 -29.006 8.199 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.388 -28.234 9.456 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.642 -29.698 8.406 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.159 -26.742 9.349 1.00 31.35 C ATOM 0 H ILE A 75 17.054 -31.640 6.936 1.00 62.14 H new ATOM 0 HA ILE A 75 18.973 -29.510 7.533 1.00 30.31 H new ATOM 0 HB ILE A 75 16.882 -28.298 7.376 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.826 -28.620 10.306 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.443 -28.418 9.661 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.886 -28.957 8.665 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.350 -30.208 7.488 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.729 -30.425 9.214 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.468 -26.259 10.276 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.743 -26.343 8.519 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.101 -26.548 9.174 1.00 31.35 H new ATOM 1223 N SER A 76 19.553 -30.716 9.623 1.00 72.03 N ATOM 1224 CA SER A 76 19.963 -31.480 10.796 1.00 2.32 C ATOM 1225 C SER A 76 19.079 -31.152 11.995 1.00 11.44 C ATOM 1226 O SER A 76 18.749 -29.990 12.237 1.00 13.53 O ATOM 1227 CB SER A 76 21.426 -31.190 11.133 1.00 63.42 C ATOM 1228 OG SER A 76 21.592 -29.858 11.586 1.00 63.00 O ATOM 0 H SER A 76 20.247 -30.045 9.293 1.00 72.03 H new ATOM 0 HA SER A 76 19.853 -32.540 10.565 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.770 -31.884 11.900 1.00 63.42 H new ATOM 0 HB3 SER A 76 22.045 -31.357 10.252 1.00 63.42 H new ATOM 0 HG SER A 76 22.536 -29.699 11.796 1.00 63.00 H new ATOM 1234 N ILE A 77 18.699 -32.183 12.742 1.00 32.21 N ATOM 1235 CA ILE A 77 17.854 -32.004 13.915 1.00 42.24 C ATOM 1236 C ILE A 77 18.408 -30.920 14.832 1.00 3.30 C ATOM 1237 O ILE A 77 17.654 -30.219 15.507 1.00 62.34 O ATOM 1238 CB ILE A 77 17.716 -33.315 14.714 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.713 -33.138 15.857 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.070 -33.750 15.254 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.315 -32.800 15.386 1.00 2.10 C ATOM 0 H ILE A 77 18.963 -33.150 12.555 1.00 32.21 H new ATOM 0 HA ILE A 77 16.871 -31.702 13.553 1.00 42.24 H new ATOM 0 HB ILE A 77 17.345 -34.093 14.047 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.678 -34.055 16.445 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.065 -32.348 16.520 1.00 61.14 H new ATOM 0 HG21 ILE A 77 18.957 -34.677 15.816 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.758 -33.910 14.424 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.467 -32.975 15.909 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.657 -32.689 16.248 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.336 -31.867 14.823 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.943 -33.601 14.747 1.00 2.10 H new ATOM 1253 N GLU A 78 19.730 -30.785 14.849 1.00 30.11 N ATOM 1254 CA GLU A 78 20.385 -29.784 15.682 1.00 0.34 C ATOM 1255 C GLU A 78 20.182 -28.383 15.111 1.00 42.21 C ATOM 1256 O GLU A 78 19.825 -27.454 15.833 1.00 45.21 O ATOM 1257 CB GLU A 78 21.880 -30.086 15.802 1.00 12.10 C ATOM 1258 CG GLU A 78 22.202 -31.571 15.817 1.00 52.02 C ATOM 1259 CD GLU A 78 23.616 -31.858 16.283 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.563 -31.557 15.525 1.00 44.14 O ATOM 1261 OE2 GLU A 78 23.778 -32.382 17.404 1.00 41.43 O1- ATOM 0 H GLU A 78 20.368 -31.356 14.295 1.00 30.11 H new ATOM 0 HA GLU A 78 19.934 -29.823 16.673 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.405 -29.618 14.969 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.262 -29.631 16.716 1.00 12.10 H new ATOM 0 HG2 GLU A 78 21.497 -32.085 16.470 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.064 -31.979 14.816 1.00 52.02 H new ATOM 1268 N GLU A 79 20.415 -28.242 13.809 1.00 34.12 N ATOM 1269 CA GLU A 79 20.259 -26.956 13.142 1.00 41.22 C ATOM 1270 C GLU A 79 18.844 -26.415 13.326 1.00 73.11 C ATOM 1271 O GLU A 79 18.643 -25.210 13.480 1.00 3.25 O ATOM 1272 CB GLU A 79 20.576 -27.088 11.651 1.00 40.51 C ATOM 1273 CG GLU A 79 20.379 -25.800 10.869 1.00 71.40 C ATOM 1274 CD GLU A 79 21.462 -24.776 11.148 1.00 23.32 C ATOM 1275 OE1 GLU A 79 22.486 -24.787 10.434 1.00 25.22 O ATOM 1276 OE2 GLU A 79 21.286 -23.964 12.082 1.00 73.13 O1- ATOM 0 H GLU A 79 20.712 -29.002 13.197 1.00 34.12 H new ATOM 0 HA GLU A 79 20.959 -26.254 13.595 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.608 -27.418 11.536 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.943 -27.864 11.221 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.364 -26.026 9.803 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.408 -25.373 11.118 1.00 71.40 H new ATOM 1283 N ALA A 80 17.866 -27.315 13.309 1.00 23.40 N ATOM 1284 CA ALA A 80 16.470 -26.929 13.475 1.00 41.12 C ATOM 1285 C ALA A 80 16.208 -26.411 14.885 1.00 13.05 C ATOM 1286 O ALA A 80 15.337 -25.567 15.093 1.00 13.31 O ATOM 1287 CB ALA A 80 15.557 -28.106 13.164 1.00 63.34 C ATOM 0 H ALA A 80 18.015 -28.316 13.182 1.00 23.40 H new ATOM 0 HA ALA A 80 16.255 -26.122 12.774 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.518 -27.804 13.292 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.717 -28.429 12.135 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.781 -28.930 13.842 1.00 63.34 H new ATOM 1293 N GLN A 81 16.967 -26.923 15.849 1.00 53.33 N ATOM 1294 CA GLN A 81 16.814 -26.511 17.239 1.00 55.10 C ATOM 1295 C GLN A 81 17.336 -25.094 17.448 1.00 65.05 C ATOM 1296 O GLN A 81 16.912 -24.394 18.367 1.00 13.14 O ATOM 1297 CB GLN A 81 17.552 -27.481 18.164 1.00 55.14 C ATOM 1298 CG GLN A 81 17.086 -28.922 18.033 1.00 15.04 C ATOM 1299 CD GLN A 81 16.202 -29.356 19.186 1.00 74.24 C ATOM 1300 OE1 GLN A 81 16.345 -28.871 20.309 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.282 -30.274 18.914 1.00 12.11 N ATOM 0 H GLN A 81 17.693 -27.623 15.693 1.00 53.33 H new ATOM 0 HA GLN A 81 15.751 -26.526 17.481 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.620 -27.433 17.950 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.419 -27.158 19.196 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.540 -29.040 17.097 1.00 15.04 H new ATOM 0 HG3 GLN A 81 17.955 -29.578 17.980 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.199 -30.648 17.969 1.00 12.11 H new ATOM 0 HE22 GLN A 81 14.658 -30.605 19.650 1.00 12.11 H new ATOM 1310 N GLY A 82 18.260 -24.676 16.589 1.00 10.33 N ATOM 1311 CA GLY A 82 18.825 -23.343 16.697 1.00 0.41 C ATOM 1312 C GLY A 82 17.768 -22.259 16.638 1.00 3.45 C ATOM 1313 O GLY A 82 17.904 -21.216 17.279 1.00 20.11 O ATOM 0 H GLY A 82 18.628 -25.236 15.820 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.375 -23.260 17.635 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.543 -23.190 15.892 1.00 0.41 H new ATOM 1317 N ILE A 83 16.715 -22.504 15.867 1.00 31.40 N ATOM 1318 CA ILE A 83 15.631 -21.538 15.727 1.00 1.12 C ATOM 1319 C ILE A 83 14.354 -22.048 16.387 1.00 73.35 C ATOM 1320 O ILE A 83 13.484 -21.263 16.768 1.00 13.12 O ATOM 1321 CB ILE A 83 15.342 -21.227 14.247 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.781 -22.465 13.542 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.605 -20.743 13.551 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.463 -22.236 12.082 1.00 2.43 C ATOM 0 H ILE A 83 16.588 -23.362 15.330 1.00 31.40 H new ATOM 0 HA ILE A 83 15.955 -20.624 16.225 1.00 1.12 H new ATOM 0 HB ILE A 83 14.596 -20.434 14.197 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.502 -23.278 13.625 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.876 -22.787 14.057 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.384 -20.527 12.506 1.00 22.22 H new ATOM 0 HG22 ILE A 83 16.966 -19.838 14.040 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.371 -21.516 13.608 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.070 -23.155 11.647 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.719 -21.444 11.991 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.370 -21.943 11.554 1.00 2.43 H new ATOM 1336 N HIS A 84 14.247 -23.365 16.519 1.00 63.03 N ATOM 1337 CA HIS A 84 13.076 -23.979 17.135 1.00 54.51 C ATOM 1338 C HIS A 84 13.401 -25.380 17.645 1.00 12.33 C ATOM 1339 O HIS A 84 13.389 -26.358 16.896 1.00 53.42 O ATOM 1340 CB HIS A 84 11.921 -24.043 16.135 1.00 32.52 C ATOM 1341 CG HIS A 84 10.597 -23.664 16.723 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.206 -24.028 17.994 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.572 -22.946 16.207 1.00 40.41 C ATOM 1344 CE1 HIS A 84 8.997 -23.552 18.234 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.590 -22.892 17.164 1.00 13.00 N ATOM 0 H HIS A 84 14.957 -24.028 16.208 1.00 63.03 H new ATOM 0 HA HIS A 84 12.778 -23.363 17.983 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.140 -23.381 15.297 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.855 -25.054 15.733 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.534 -22.499 15.225 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.437 -23.680 19.149 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.692 -22.419 17.065 1.00 13.00 H new ATOM 1353 N PRO A 85 13.701 -25.482 18.948 1.00 51.33 N ATOM 1354 CA PRO A 85 14.036 -26.759 19.586 1.00 21.45 C ATOM 1355 C PRO A 85 12.833 -27.688 19.690 1.00 1.12 C ATOM 1356 O PRO A 85 12.966 -28.851 20.071 1.00 55.23 O ATOM 1357 CB PRO A 85 14.514 -26.343 20.980 1.00 54.51 C ATOM 1358 CG PRO A 85 13.844 -25.038 21.237 1.00 23.33 C ATOM 1359 CD PRO A 85 13.735 -24.359 19.899 1.00 35.21 C ATOM 0 HA PRO A 85 14.777 -27.318 19.015 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.238 -27.084 21.730 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.599 -26.244 21.013 1.00 54.51 H new ATOM 0 HG2 PRO A 85 12.860 -25.185 21.681 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.422 -24.433 21.936 1.00 23.33 H new ATOM 0 HD2 PRO A 85 12.835 -23.748 19.831 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.583 -23.700 19.713 1.00 35.21 H new ATOM 1367 N GLU A 86 11.657 -27.169 19.347 1.00 11.24 N ATOM 1368 CA GLU A 86 10.430 -27.954 19.403 1.00 2.30 C ATOM 1369 C GLU A 86 10.384 -28.973 18.268 1.00 54.33 C ATOM 1370 O GLU A 86 9.667 -29.971 18.343 1.00 72.01 O ATOM 1371 CB GLU A 86 9.208 -27.036 19.330 1.00 32.11 C ATOM 1372 CG GLU A 86 8.950 -26.263 20.611 1.00 10.02 C ATOM 1373 CD GLU A 86 7.540 -25.710 20.686 1.00 32.22 C ATOM 1374 OE1 GLU A 86 6.678 -26.179 19.913 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 7.298 -24.809 21.515 1.00 32.50 O ATOM 0 H GLU A 86 11.529 -26.209 19.028 1.00 11.24 H new ATOM 0 HA GLU A 86 10.415 -28.492 20.351 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.343 -26.330 18.511 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.328 -27.634 19.093 1.00 32.11 H new ATOM 0 HG2 GLU A 86 9.126 -26.916 21.466 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.663 -25.442 20.685 1.00 10.02 H new ATOM 1382 N TYR A 87 11.153 -28.713 17.216 1.00 13.33 N ATOM 1383 CA TYR A 87 11.198 -29.604 16.063 1.00 62.40 C ATOM 1384 C TYR A 87 11.554 -31.026 16.487 1.00 30.01 C ATOM 1385 O TYR A 87 11.854 -31.281 17.654 1.00 64.21 O ATOM 1386 CB TYR A 87 12.215 -29.097 15.039 1.00 41.24 C ATOM 1387 CG TYR A 87 11.721 -27.920 14.227 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.441 -27.913 13.688 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.535 -26.818 13.999 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.984 -26.841 12.945 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.086 -25.741 13.260 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.812 -25.757 12.734 1.00 73.33 C ATOM 1393 OH TYR A 87 10.362 -24.687 11.994 1.00 33.41 O ATOM 0 H TYR A 87 11.754 -27.892 17.138 1.00 13.33 H new ATOM 0 HA TYR A 87 10.208 -29.616 15.607 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.130 -28.811 15.558 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.474 -29.911 14.362 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.791 -28.760 13.852 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.535 -26.803 14.406 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.986 -26.851 12.532 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.730 -24.890 13.095 1.00 41.22 H new ATOM 0 HH TYR A 87 10.875 -23.886 12.231 1.00 33.41 H new ATOM 1403 N MET A 88 11.519 -31.948 15.531 1.00 30.33 N ATOM 1404 CA MET A 88 11.838 -33.344 15.804 1.00 15.53 C ATOM 1405 C MET A 88 12.086 -34.109 14.508 1.00 10.42 C ATOM 1406 O MET A 88 11.518 -33.783 13.466 1.00 24.25 O ATOM 1407 CB MET A 88 10.705 -34.006 16.592 1.00 14.22 C ATOM 1408 CG MET A 88 11.133 -35.259 17.338 1.00 4.24 C ATOM 1409 SD MET A 88 12.178 -34.898 18.762 1.00 21.05 S ATOM 1410 CE MET A 88 13.723 -35.645 18.247 1.00 34.51 C ATOM 0 H MET A 88 11.273 -31.754 14.560 1.00 30.33 H new ATOM 0 HA MET A 88 12.749 -33.371 16.401 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.303 -33.288 17.306 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.897 -34.260 15.906 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.247 -35.799 17.671 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.671 -35.917 16.656 1.00 4.24 H new ATOM 0 HE1 MET A 88 14.410 -35.679 19.092 1.00 34.51 H new ATOM 0 HE2 MET A 88 13.536 -36.658 17.890 1.00 34.51 H new ATOM 0 HE3 MET A 88 14.164 -35.053 17.445 1.00 34.51 H new ATOM 1420 N VAL A 89 12.937 -35.128 14.580 1.00 2.14 N ATOM 1421 CA VAL A 89 13.259 -35.939 13.413 1.00 32.25 C ATOM 1422 C VAL A 89 11.993 -36.425 12.716 1.00 31.51 C ATOM 1423 O VAL A 89 11.169 -37.114 13.314 1.00 22.02 O ATOM 1424 CB VAL A 89 14.122 -37.157 13.796 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.451 -37.986 12.564 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.391 -36.709 14.502 1.00 64.13 C ATOM 0 H VAL A 89 13.416 -35.411 15.435 1.00 2.14 H new ATOM 0 HA VAL A 89 13.824 -35.303 12.732 1.00 32.25 H new ATOM 0 HB VAL A 89 13.553 -37.782 14.484 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.061 -38.842 12.854 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.527 -38.338 12.105 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.001 -37.374 11.850 1.00 5.33 H new ATOM 0 HG21 VAL A 89 15.988 -37.582 14.765 1.00 64.13 H new ATOM 0 HG22 VAL A 89 15.966 -36.062 13.840 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.130 -36.162 15.408 1.00 64.13 H new ATOM 1436 N GLY A 90 11.846 -36.062 11.445 1.00 61.31 N ATOM 1437 CA GLY A 90 10.679 -36.471 10.686 1.00 5.34 C ATOM 1438 C GLY A 90 9.756 -35.310 10.373 1.00 73.20 C ATOM 1439 O GLY A 90 8.916 -35.400 9.477 1.00 73.05 O ATOM 0 H GLY A 90 12.515 -35.492 10.928 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.000 -36.937 9.755 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.130 -37.226 11.248 1.00 5.34 H new ATOM 1443 N ASP A 91 9.909 -34.218 11.114 1.00 14.12 N ATOM 1444 CA ASP A 91 9.082 -33.034 10.912 1.00 22.15 C ATOM 1445 C ASP A 91 9.625 -32.180 9.770 1.00 32.31 C ATOM 1446 O ASP A 91 10.532 -32.595 9.048 1.00 53.31 O ATOM 1447 CB ASP A 91 9.015 -32.207 12.196 1.00 12.13 C ATOM 1448 CG ASP A 91 7.616 -31.697 12.483 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.841 -32.426 13.138 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.296 -30.568 12.056 1.00 3.14 O ATOM 0 H ASP A 91 10.598 -34.128 11.860 1.00 14.12 H new ATOM 0 HA ASP A 91 8.077 -33.364 10.649 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.356 -32.814 13.034 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.698 -31.361 12.116 1.00 12.13 H new ATOM 1455 N VAL A 92 9.063 -30.987 9.612 1.00 31.51 N ATOM 1456 CA VAL A 92 9.490 -30.074 8.557 1.00 42.33 C ATOM 1457 C VAL A 92 9.696 -28.665 9.101 1.00 75.52 C ATOM 1458 O VAL A 92 8.960 -28.212 9.977 1.00 53.31 O ATOM 1459 CB VAL A 92 8.467 -30.025 7.408 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.549 -31.288 6.565 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.061 -29.830 7.955 1.00 61.45 C ATOM 0 H VAL A 92 8.311 -30.629 10.201 1.00 31.51 H new ATOM 0 HA VAL A 92 10.437 -30.454 8.173 1.00 42.33 H new ATOM 0 HB VAL A 92 8.705 -29.175 6.769 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.818 -31.235 5.758 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.550 -31.379 6.143 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.338 -32.156 7.189 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.350 -29.798 7.129 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.810 -30.659 8.617 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.014 -28.894 8.511 1.00 61.45 H new ATOM 1471 N VAL A 93 10.703 -27.974 8.575 1.00 53.22 N ATOM 1472 CA VAL A 93 11.005 -26.614 9.006 1.00 1.40 C ATOM 1473 C VAL A 93 10.950 -25.641 7.833 1.00 13.54 C ATOM 1474 O VAL A 93 11.324 -25.984 6.712 1.00 42.32 O ATOM 1475 CB VAL A 93 12.395 -26.530 9.664 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.465 -27.062 8.722 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.702 -25.098 10.077 1.00 1.50 C ATOM 0 H VAL A 93 11.323 -28.334 7.850 1.00 53.22 H new ATOM 0 HA VAL A 93 10.247 -26.338 9.739 1.00 1.40 H new ATOM 0 HB VAL A 93 12.392 -27.151 10.560 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.440 -26.995 9.204 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.251 -28.103 8.479 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.471 -26.470 7.807 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.688 -25.056 10.540 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.687 -24.454 9.197 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.951 -24.756 10.790 1.00 1.50 H new ATOM 1487 N GLU A 94 10.480 -24.427 8.100 1.00 63.33 N ATOM 1488 CA GLU A 94 10.376 -23.404 7.066 1.00 13.04 C ATOM 1489 C GLU A 94 11.291 -22.222 7.376 1.00 14.14 C ATOM 1490 O GLU A 94 11.262 -21.674 8.477 1.00 22.33 O ATOM 1491 CB GLU A 94 8.929 -22.922 6.938 1.00 72.23 C ATOM 1492 CG GLU A 94 8.149 -23.625 5.840 1.00 51.42 C ATOM 1493 CD GLU A 94 6.652 -23.611 6.087 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.150 -22.603 6.624 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.985 -24.610 5.745 1.00 11.44 O1- ATOM 0 H GLU A 94 10.165 -24.128 9.023 1.00 63.33 H new ATOM 0 HA GLU A 94 10.690 -23.846 6.120 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.419 -23.074 7.889 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.928 -21.850 6.743 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.360 -23.145 4.885 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.491 -24.657 5.760 1.00 51.42 H new ATOM 1502 N ILE A 95 12.102 -21.838 6.396 1.00 43.41 N ATOM 1503 CA ILE A 95 13.025 -20.723 6.562 1.00 24.11 C ATOM 1504 C ILE A 95 12.869 -19.706 5.436 1.00 51.42 C ATOM 1505 O ILE A 95 12.689 -20.075 4.276 1.00 43.44 O ATOM 1506 CB ILE A 95 14.489 -21.204 6.605 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.635 -22.374 7.580 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.411 -20.060 6.999 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.468 -23.728 6.928 1.00 4.40 C ATOM 0 H ILE A 95 12.138 -22.283 5.479 1.00 43.41 H new ATOM 0 HA ILE A 95 12.778 -20.250 7.512 1.00 24.11 H new ATOM 0 HB ILE A 95 14.773 -21.547 5.610 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.617 -22.325 8.050 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.896 -22.269 8.374 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.441 -20.415 7.025 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.323 -19.254 6.270 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.130 -19.689 7.985 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.584 -24.510 7.678 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.476 -23.797 6.482 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.224 -23.854 6.153 1.00 4.40 H new ATOM 1521 N GLU A 96 12.940 -18.427 5.788 1.00 15.41 N ATOM 1522 CA GLU A 96 12.807 -17.357 4.805 1.00 4.20 C ATOM 1523 C GLU A 96 13.779 -17.558 3.647 1.00 3.25 C ATOM 1524 O GLU A 96 14.997 -17.554 3.836 1.00 21.32 O ATOM 1525 CB GLU A 96 13.052 -15.997 5.462 1.00 33.11 C ATOM 1526 CG GLU A 96 14.408 -15.884 6.139 1.00 44.11 C ATOM 1527 CD GLU A 96 14.523 -14.652 7.015 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.964 -13.601 6.635 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 15.169 -14.738 8.080 1.00 64.34 O ATOM 0 H GLU A 96 13.089 -18.106 6.745 1.00 15.41 H new ATOM 0 HA GLU A 96 11.791 -17.384 4.412 1.00 4.20 H new ATOM 0 HB2 GLU A 96 12.967 -15.217 4.706 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.271 -15.813 6.199 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.582 -16.773 6.745 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.188 -15.858 5.378 1.00 44.11 H new ATOM 1536 N VAL A 97 13.235 -17.734 2.447 1.00 52.41 N ATOM 1537 CA VAL A 97 14.053 -17.936 1.258 1.00 41.24 C ATOM 1538 C VAL A 97 13.588 -17.043 0.113 1.00 64.02 C ATOM 1539 O VAL A 97 13.975 -17.239 -1.040 1.00 40.42 O ATOM 1540 CB VAL A 97 14.019 -19.404 0.796 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.685 -19.727 0.140 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.172 -19.690 -0.154 1.00 14.33 C ATOM 0 H VAL A 97 12.230 -17.741 2.273 1.00 52.41 H new ATOM 0 HA VAL A 97 15.075 -17.672 1.529 1.00 41.24 H new ATOM 0 HB VAL A 97 14.131 -20.045 1.671 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.680 -20.769 -0.180 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.879 -19.563 0.855 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.539 -19.081 -0.726 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.133 -20.732 -0.471 1.00 14.33 H new ATOM 0 HG22 VAL A 97 15.093 -19.042 -1.027 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.118 -19.501 0.354 1.00 14.33 H new ATOM 1552 N THR A 98 12.754 -16.059 0.437 1.00 74.11 N ATOM 1553 CA THR A 98 12.234 -15.136 -0.564 1.00 21.42 C ATOM 1554 C THR A 98 13.267 -14.072 -0.918 1.00 23.55 C ATOM 1555 O THR A 98 13.980 -13.554 -0.059 1.00 72.05 O ATOM 1556 CB THR A 98 10.948 -14.444 -0.075 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.344 -13.718 -1.152 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.247 -13.497 1.077 1.00 33.24 C ATOM 0 H THR A 98 12.424 -15.881 1.386 1.00 74.11 H new ATOM 0 HA THR A 98 12.005 -15.726 -1.451 1.00 21.42 H new ATOM 0 HB THR A 98 10.259 -15.212 0.277 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.526 -13.282 -0.834 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.323 -13.020 1.405 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.680 -14.057 1.905 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.952 -12.734 0.747 1.00 33.24 H new ATOM 1566 N PRO A 99 13.351 -13.737 -2.214 1.00 61.42 N ATOM 1567 CA PRO A 99 14.293 -12.729 -2.713 1.00 22.35 C ATOM 1568 C PRO A 99 13.921 -11.318 -2.270 1.00 21.13 C ATOM 1569 O PRO A 99 12.767 -11.044 -1.940 1.00 4.33 O ATOM 1570 CB PRO A 99 14.180 -12.860 -4.234 1.00 33.45 C ATOM 1571 CG PRO A 99 12.818 -13.416 -4.467 1.00 23.31 C ATOM 1572 CD PRO A 99 12.531 -14.313 -3.293 1.00 75.43 C ATOM 0 HA PRO A 99 15.301 -12.889 -2.332 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.302 -11.894 -4.725 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.950 -13.520 -4.633 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.078 -12.619 -4.539 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.779 -13.973 -5.403 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.472 -14.312 -3.036 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.808 -15.347 -3.500 1.00 75.43 H new ATOM 1580 N LYS A 100 14.906 -10.426 -2.264 1.00 1.34 N ATOM 1581 CA LYS A 100 14.683 -9.043 -1.864 1.00 31.23 C ATOM 1582 C LYS A 100 13.963 -8.267 -2.962 1.00 11.53 C ATOM 1583 O LYS A 100 13.584 -7.111 -2.774 1.00 43.02 O ATOM 1584 CB LYS A 100 16.014 -8.363 -1.535 1.00 14.02 C ATOM 1585 CG LYS A 100 16.655 -8.869 -0.254 1.00 13.24 C ATOM 1586 CD LYS A 100 16.188 -8.073 0.954 1.00 51.30 C ATOM 1587 CE LYS A 100 14.926 -8.667 1.560 1.00 60.13 C ATOM 1588 NZ LYS A 100 14.782 -8.314 2.999 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.867 -10.637 -2.532 1.00 1.34 H new ATOM 0 HA LYS A 100 14.054 -9.047 -0.974 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.706 -8.517 -2.363 1.00 14.02 H new ATOM 0 HB3 LYS A 100 15.852 -7.288 -1.451 1.00 14.02 H new ATOM 0 HG2 LYS A 100 16.410 -9.922 -0.114 1.00 13.24 H new ATOM 0 HG3 LYS A 100 17.740 -8.803 -0.338 1.00 13.24 H new ATOM 0 HD2 LYS A 100 16.978 -8.052 1.705 1.00 51.30 H new ATOM 0 HD3 LYS A 100 16.000 -7.040 0.660 1.00 51.30 H new ATOM 0 HE2 LYS A 100 14.056 -8.309 1.010 1.00 60.13 H new ATOM 0 HE3 LYS A 100 14.947 -9.751 1.453 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 13.910 -8.738 3.375 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 15.600 -8.677 3.529 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 14.736 -7.280 3.100 1.00 62.04 H new ATOM 1602 N ASP A 101 13.775 -8.912 -4.109 1.00 23.32 N ATOM 1603 CA ASP A 101 13.098 -8.284 -5.238 1.00 41.13 C ATOM 1604 C ASP A 101 11.706 -8.877 -5.435 1.00 43.12 C ATOM 1605 O ASP A 101 11.017 -8.564 -6.406 1.00 15.43 O ATOM 1606 CB ASP A 101 13.923 -8.453 -6.514 1.00 64.01 C ATOM 1607 CG ASP A 101 15.404 -8.228 -6.280 1.00 62.02 C ATOM 1608 OD1 ASP A 101 15.830 -7.054 -6.263 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 16.137 -9.225 -6.112 1.00 12.30 O ATOM 0 H ASP A 101 14.082 -9.869 -4.281 1.00 23.32 H new ATOM 0 HA ASP A 101 12.993 -7.221 -5.021 1.00 41.13 H new ATOM 0 HB2 ASP A 101 13.769 -9.456 -6.912 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.567 -7.752 -7.269 1.00 64.01 H new ATOM 1614 N PHE A 102 11.298 -9.737 -4.507 1.00 61.52 N ATOM 1615 CA PHE A 102 9.989 -10.377 -4.581 1.00 41.25 C ATOM 1616 C PHE A 102 8.874 -9.359 -4.357 1.00 61.03 C ATOM 1617 O PHE A 102 7.729 -9.581 -4.748 1.00 73.03 O ATOM 1618 CB PHE A 102 9.888 -11.498 -3.544 1.00 42.23 C ATOM 1619 CG PHE A 102 9.257 -12.752 -4.078 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.731 -13.341 -5.239 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.190 -13.341 -3.420 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.151 -14.495 -5.733 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.607 -14.496 -3.909 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.089 -15.073 -5.067 1.00 15.23 C ATOM 0 H PHE A 102 11.854 -10.007 -3.696 1.00 61.52 H new ATOM 0 HA PHE A 102 9.874 -10.802 -5.578 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.887 -11.732 -3.175 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.308 -11.143 -2.692 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.562 -12.894 -5.764 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.809 -12.893 -2.514 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.529 -14.944 -6.640 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.776 -14.946 -3.386 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.636 -15.975 -5.451 1.00 15.23 H new ATOM 1634 N GLY A 103 9.218 -8.242 -3.722 1.00 33.20 N ATOM 1635 CA GLY A 103 8.236 -7.208 -3.456 1.00 14.33 C ATOM 1636 C GLY A 103 7.456 -6.816 -4.696 1.00 14.11 C ATOM 1637 O GLY A 103 6.225 -6.805 -4.685 1.00 52.21 O ATOM 0 H GLY A 103 10.159 -8.035 -3.387 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.543 -7.557 -2.690 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.739 -6.329 -3.054 1.00 14.33 H new ATOM 1641 N ARG A 104 8.174 -6.491 -5.766 1.00 11.41 N ATOM 1642 CA ARG A 104 7.542 -6.093 -7.018 1.00 21.11 C ATOM 1643 C ARG A 104 7.039 -7.313 -7.785 1.00 54.21 C ATOM 1644 O ARG A 104 5.964 -7.281 -8.384 1.00 35.02 O ATOM 1645 CB ARG A 104 8.527 -5.305 -7.883 1.00 50.22 C ATOM 1646 CG ARG A 104 7.875 -4.602 -9.063 1.00 72.45 C ATOM 1647 CD ARG A 104 7.552 -3.152 -8.738 1.00 22.14 C ATOM 1648 NE ARG A 104 8.740 -2.303 -8.786 1.00 50.51 N ATOM 1649 CZ ARG A 104 8.695 -0.977 -8.813 1.00 32.33 C ATOM 1650 NH1 ARG A 104 7.527 -0.349 -8.797 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 9.819 -0.274 -8.855 1.00 63.54 N ATOM 0 H ARG A 104 9.194 -6.495 -5.791 1.00 11.41 H new ATOM 0 HA ARG A 104 6.689 -5.458 -6.779 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.030 -4.564 -7.262 1.00 50.22 H new ATOM 0 HB3 ARG A 104 9.295 -5.984 -8.254 1.00 50.22 H new ATOM 0 HG2 ARG A 104 8.540 -4.643 -9.925 1.00 72.45 H new ATOM 0 HG3 ARG A 104 6.961 -5.126 -9.340 1.00 72.45 H new ATOM 0 HD2 ARG A 104 6.811 -2.779 -9.444 1.00 22.14 H new ATOM 0 HD3 ARG A 104 7.105 -3.094 -7.746 1.00 22.14 H new ATOM 0 HE ARG A 104 9.655 -2.754 -8.800 1.00 50.51 H new ATOM 0 HH11 ARG A 104 6.660 -0.885 -8.764 1.00 65.42 H new ATOM 0 HH12 ARG A 104 7.496 0.670 -8.818 1.00 65.42 H new ATOM 0 HH21 ARG A 104 10.720 -0.753 -8.867 1.00 63.54 H new ATOM 0 HH22 ARG A 104 9.783 0.745 -8.876 1.00 63.54 H new ATOM 1665 N ILE A 105 7.822 -8.386 -7.759 1.00 74.15 N ATOM 1666 CA ILE A 105 7.455 -9.615 -8.451 1.00 51.42 C ATOM 1667 C ILE A 105 6.082 -10.107 -8.007 1.00 31.22 C ATOM 1668 O ILE A 105 5.251 -10.487 -8.831 1.00 32.23 O ATOM 1669 CB ILE A 105 8.491 -10.729 -8.207 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.874 -10.284 -8.689 1.00 71.02 C ATOM 1671 CG2 ILE A 105 8.067 -12.010 -8.910 1.00 4.21 C ATOM 1672 CD1 ILE A 105 11.002 -11.137 -8.156 1.00 51.01 C ATOM 0 H ILE A 105 8.714 -8.429 -7.266 1.00 74.15 H new ATOM 0 HA ILE A 105 7.428 -9.382 -9.515 1.00 51.42 H new ATOM 0 HB ILE A 105 8.545 -10.926 -7.136 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.895 -10.307 -9.779 1.00 71.02 H new ATOM 0 HG13 ILE A 105 10.039 -9.249 -8.389 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.809 -12.788 -8.728 1.00 4.21 H new ATOM 0 HG22 ILE A 105 7.100 -12.334 -8.524 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.988 -11.828 -9.982 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.952 -10.764 -8.538 1.00 51.01 H new ATOM 0 HD12 ILE A 105 11.007 -11.094 -7.067 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.861 -12.169 -8.478 1.00 51.01 H new ATOM 1684 N ALA A 106 5.850 -10.095 -6.698 1.00 52.13 N ATOM 1685 CA ALA A 106 4.577 -10.537 -6.143 1.00 0.32 C ATOM 1686 C ALA A 106 3.411 -9.800 -6.793 1.00 11.13 C ATOM 1687 O ALA A 106 2.350 -10.379 -7.023 1.00 42.22 O ATOM 1688 CB ALA A 106 4.558 -10.334 -4.636 1.00 60.32 C ATOM 0 H ALA A 106 6.528 -9.784 -6.002 1.00 52.13 H new ATOM 0 HA ALA A 106 4.466 -11.600 -6.355 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.601 -10.669 -4.236 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.363 -10.911 -4.181 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.696 -9.277 -4.410 1.00 60.32 H new ATOM 1694 N ALA A 107 3.615 -8.519 -7.083 1.00 54.24 N ATOM 1695 CA ALA A 107 2.580 -7.703 -7.707 1.00 40.42 C ATOM 1696 C ALA A 107 2.400 -8.073 -9.175 1.00 61.51 C ATOM 1697 O ALA A 107 1.276 -8.194 -9.660 1.00 62.23 O ATOM 1698 CB ALA A 107 2.919 -6.226 -7.571 1.00 41.43 C ATOM 0 H ALA A 107 4.487 -8.024 -6.896 1.00 54.24 H new ATOM 0 HA ALA A 107 1.639 -7.898 -7.192 1.00 40.42 H new ATOM 0 HB1 ALA A 107 2.138 -5.629 -8.041 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.990 -5.965 -6.515 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.873 -6.025 -8.059 1.00 41.43 H new ATOM 1704 N GLN A 108 3.515 -8.250 -9.877 1.00 63.24 N ATOM 1705 CA GLN A 108 3.478 -8.604 -11.291 1.00 24.31 C ATOM 1706 C GLN A 108 2.900 -10.002 -11.486 1.00 33.31 C ATOM 1707 O GLN A 108 2.274 -10.289 -12.508 1.00 5.33 O ATOM 1708 CB GLN A 108 4.882 -8.532 -11.893 1.00 74.24 C ATOM 1709 CG GLN A 108 4.968 -9.083 -13.307 1.00 10.13 C ATOM 1710 CD GLN A 108 6.327 -8.860 -13.940 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.055 -7.940 -13.566 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.676 -9.702 -14.904 1.00 30.20 N ATOM 0 H GLN A 108 4.454 -8.154 -9.490 1.00 63.24 H new ATOM 0 HA GLN A 108 2.834 -7.889 -11.803 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.214 -7.494 -11.896 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.571 -9.085 -11.254 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.750 -10.151 -13.290 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.203 -8.611 -13.924 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.041 -10.450 -15.182 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.579 -9.601 -15.367 1.00 30.20 H new ATOM 1721 N THR A 109 3.113 -10.868 -10.502 1.00 14.35 N ATOM 1722 CA THR A 109 2.614 -12.237 -10.567 1.00 1.22 C ATOM 1723 C THR A 109 1.167 -12.317 -10.097 1.00 5.53 C ATOM 1724 O THR A 109 0.361 -13.058 -10.659 1.00 22.25 O ATOM 1725 CB THR A 109 3.473 -13.189 -9.713 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.858 -12.849 -9.842 1.00 62.10 O ATOM 1727 CG2 THR A 109 3.259 -14.635 -10.135 1.00 43.12 C ATOM 0 H THR A 109 3.628 -10.647 -9.650 1.00 14.35 H new ATOM 0 HA THR A 109 2.672 -12.545 -11.611 1.00 1.22 H new ATOM 0 HB THR A 109 3.169 -13.082 -8.672 1.00 63.33 H new ATOM 0 HG1 THR A 109 5.055 -12.064 -9.289 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.876 -15.289 -9.518 1.00 43.12 H new ATOM 0 HG22 THR A 109 2.209 -14.900 -10.008 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.539 -14.754 -11.182 1.00 43.12 H new ATOM 1735 N ALA A 110 0.842 -11.548 -9.063 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.511 -11.531 -8.519 1.00 65.20 C ATOM 1737 C ALA A 110 -1.463 -10.774 -9.439 1.00 34.15 C ATOM 1738 O ALA A 110 -2.640 -11.116 -9.548 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.512 -10.910 -7.129 1.00 42.13 C ATOM 0 H ALA A 110 1.497 -10.929 -8.585 1.00 1.34 H new ATOM 0 HA ALA A 110 -0.860 -12.561 -8.446 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.528 -10.903 -6.734 1.00 42.13 H new ATOM 0 HB2 ALA A 110 0.130 -11.494 -6.469 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.139 -9.888 -7.187 1.00 42.13 H new ATOM 1745 N LYS A 111 -0.946 -9.744 -10.100 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.749 -8.939 -11.013 1.00 13.33 C ATOM 1747 C LYS A 111 -2.061 -9.712 -12.290 1.00 33.32 C ATOM 1748 O LYS A 111 -3.136 -9.562 -12.869 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.018 -7.638 -11.356 1.00 20.42 C ATOM 1750 CG LYS A 111 0.153 -7.831 -12.304 1.00 74.20 C ATOM 1751 CD LYS A 111 -0.267 -7.652 -13.753 1.00 34.11 C ATOM 1752 CE LYS A 111 -0.010 -6.234 -14.237 1.00 74.34 C ATOM 1753 NZ LYS A 111 1.435 -5.992 -14.502 1.00 63.44 N1+ ATOM 0 H LYS A 111 0.026 -9.447 -10.020 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.689 -8.700 -10.516 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.726 -6.940 -11.803 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -0.658 -7.180 -10.435 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.940 -7.117 -12.062 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.573 -8.827 -12.166 1.00 74.20 H new ATOM 0 HD2 LYS A 111 0.279 -8.356 -14.381 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -1.326 -7.887 -13.857 1.00 34.11 H new ATOM 0 HE2 LYS A 111 -0.582 -6.052 -15.147 1.00 74.34 H new ATOM 0 HE3 LYS A 111 -0.366 -5.525 -13.490 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 1.656 -4.990 -14.331 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 2.008 -6.586 -13.870 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 1.651 -6.230 -15.491 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.113 -10.537 -12.723 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.289 -11.334 -13.932 1.00 10.21 C ATOM 1769 C GLN A 112 -2.371 -12.391 -13.735 1.00 0.31 C ATOM 1770 O GLN A 112 -3.058 -12.774 -14.680 1.00 14.34 O ATOM 1771 CB GLN A 112 0.029 -12.004 -14.322 1.00 41.41 C ATOM 1772 CG GLN A 112 0.196 -13.401 -13.749 1.00 33.01 C ATOM 1773 CD GLN A 112 -0.441 -14.468 -14.617 1.00 31.12 C ATOM 1774 OE1 GLN A 112 -1.488 -15.019 -14.275 1.00 53.14 O ATOM 1775 NE2 GLN A 112 0.188 -14.765 -15.748 1.00 73.33 N ATOM 0 H GLN A 112 -0.216 -10.671 -12.256 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.601 -10.666 -14.735 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.092 -12.057 -15.409 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.857 -11.381 -13.984 1.00 41.41 H new ATOM 0 HG2 GLN A 112 1.258 -13.618 -13.634 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.246 -13.436 -12.753 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.053 -14.283 -15.992 1.00 73.33 H new ATOM 0 HE22 GLN A 112 -0.194 -15.475 -16.373 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.516 -12.859 -12.498 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.515 -13.872 -12.177 1.00 53.54 C ATOM 1786 C VAL A 113 -4.914 -13.269 -12.133 1.00 33.44 C ATOM 1787 O VAL A 113 -5.828 -13.744 -12.806 1.00 10.35 O ATOM 1788 CB VAL A 113 -3.214 -14.546 -10.826 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -4.295 -15.560 -10.484 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.843 -15.204 -10.851 1.00 71.43 C ATOM 0 H VAL A 113 -1.955 -12.553 -11.703 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.472 -14.622 -12.966 1.00 53.54 H new ATOM 0 HB VAL A 113 -3.208 -13.780 -10.051 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -4.066 -16.027 -9.526 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -5.260 -15.056 -10.421 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.335 -16.325 -11.260 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.648 -15.675 -9.888 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.816 -15.959 -11.636 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -1.081 -14.450 -11.047 1.00 71.43 H new ATOM 1800 N VAL A 114 -5.074 -12.217 -11.334 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.361 -11.547 -11.202 1.00 44.31 C ATOM 1802 C VAL A 114 -6.889 -11.096 -12.560 1.00 24.40 C ATOM 1803 O VAL A 114 -8.081 -11.208 -12.844 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.265 -10.325 -10.270 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -6.025 -10.766 -8.833 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.165 -9.384 -10.737 1.00 62.43 C ATOM 0 H VAL A 114 -4.328 -11.812 -10.769 1.00 62.31 H new ATOM 0 HA VAL A 114 -7.051 -12.271 -10.770 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.212 -9.787 -10.307 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.960 -9.889 -8.189 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.850 -11.398 -8.504 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -5.093 -11.328 -8.776 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.111 -8.526 -10.067 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.210 -9.909 -10.731 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.384 -9.041 -11.748 1.00 62.43 H new ATOM 1816 N THR A 115 -5.991 -10.586 -13.397 1.00 11.13 N ATOM 1817 CA THR A 115 -6.364 -10.117 -14.725 1.00 33.11 C ATOM 1818 C THR A 115 -7.143 -11.184 -15.486 1.00 25.41 C ATOM 1819 O THR A 115 -8.104 -10.879 -16.192 1.00 0.53 O ATOM 1820 CB THR A 115 -5.126 -9.717 -15.548 1.00 14.23 C ATOM 1821 OG1 THR A 115 -4.441 -8.634 -14.908 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.523 -9.308 -16.960 1.00 72.31 C ATOM 0 H THR A 115 -5.000 -10.487 -13.178 1.00 11.13 H new ATOM 0 HA THR A 115 -6.996 -9.240 -14.584 1.00 33.11 H new ATOM 0 HB THR A 115 -4.464 -10.581 -15.609 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.119 -8.924 -14.029 1.00 20.24 H new ATOM 0 HG21 THR A 115 -4.632 -9.030 -17.522 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.018 -10.143 -17.455 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.204 -8.458 -16.915 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.722 -12.436 -15.337 1.00 72.25 N ATOM 1831 CA GLN A 116 -7.381 -13.548 -16.011 1.00 54.01 C ATOM 1832 C GLN A 116 -8.757 -13.813 -15.407 1.00 61.15 C ATOM 1833 O GLN A 116 -9.741 -13.974 -16.128 1.00 62.10 O ATOM 1834 CB GLN A 116 -6.520 -14.810 -15.921 1.00 65.13 C ATOM 1835 CG GLN A 116 -5.172 -14.677 -16.612 1.00 43.44 C ATOM 1836 CD GLN A 116 -4.093 -15.510 -15.949 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -4.200 -15.866 -14.776 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -3.045 -15.827 -16.701 1.00 23.42 N ATOM 0 H GLN A 116 -5.928 -12.705 -14.756 1.00 72.25 H new ATOM 0 HA GLN A 116 -7.510 -13.279 -17.059 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -6.358 -15.055 -14.871 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -7.065 -15.644 -16.363 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -5.271 -14.980 -17.654 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -4.869 -13.630 -16.612 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.998 -15.510 -17.669 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -2.288 -16.387 -16.310 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.816 -13.858 -14.081 1.00 54.30 N ATOM 1848 CA ARG A 117 -10.070 -14.105 -13.380 1.00 0.51 C ATOM 1849 C ARG A 117 -11.137 -13.100 -13.805 1.00 2.44 C ATOM 1850 O ARG A 117 -12.322 -13.430 -13.876 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.858 -14.028 -11.867 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.670 -14.840 -11.377 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.740 -16.278 -11.863 1.00 72.54 C ATOM 1854 NE ARG A 117 -10.059 -16.866 -11.647 1.00 64.15 N ATOM 1855 CZ ARG A 117 -10.395 -18.088 -12.046 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -9.511 -18.848 -12.680 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -11.614 -18.553 -11.811 1.00 63.20 N ATOM 0 H ARG A 117 -8.010 -13.727 -13.470 1.00 54.30 H new ATOM 0 HA ARG A 117 -10.412 -15.106 -13.642 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.718 -12.986 -11.581 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.759 -14.378 -11.364 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.745 -14.381 -11.727 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.642 -14.824 -10.287 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.497 -16.314 -12.925 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.989 -16.873 -11.344 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.762 -16.307 -11.163 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -8.572 -18.494 -12.862 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -9.771 -19.786 -12.986 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -12.296 -17.972 -11.323 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -11.870 -19.491 -12.118 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.710 -11.874 -14.088 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.628 -10.822 -14.508 1.00 4.21 C ATOM 1873 C VAL A 118 -12.387 -11.224 -15.767 1.00 14.31 C ATOM 1874 O VAL A 118 -13.590 -10.990 -15.881 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.884 -9.499 -14.771 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.872 -8.375 -15.043 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -9.981 -9.154 -13.596 1.00 2.43 C ATOM 0 H VAL A 118 -9.733 -11.584 -14.034 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.336 -10.676 -13.692 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.260 -9.623 -15.656 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.328 -7.449 -15.226 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.473 -8.622 -15.918 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.525 -8.247 -14.179 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.463 -8.217 -13.798 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -10.583 -9.049 -12.693 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.249 -9.949 -13.453 1.00 2.43 H new ATOM 1887 N ARG A 119 -11.676 -11.833 -16.710 1.00 45.44 N ATOM 1888 CA ARG A 119 -12.282 -12.268 -17.963 1.00 54.32 C ATOM 1889 C ARG A 119 -13.164 -13.493 -17.744 1.00 31.42 C ATOM 1890 O ARG A 119 -14.341 -13.494 -18.105 1.00 55.43 O ATOM 1891 CB ARG A 119 -11.198 -12.586 -18.995 1.00 34.42 C ATOM 1892 CG ARG A 119 -10.126 -11.515 -19.102 1.00 12.01 C ATOM 1893 CD ARG A 119 -8.934 -11.998 -19.915 1.00 74.24 C ATOM 1894 NE ARG A 119 -8.381 -13.243 -19.387 1.00 63.02 N ATOM 1895 CZ ARG A 119 -7.436 -13.946 -20.003 1.00 41.21 C ATOM 1896 NH1 ARG A 119 -6.943 -13.529 -21.161 1.00 65.13 N1+ ATOM 1897 NH2 ARG A 119 -6.984 -15.069 -19.460 1.00 64.13 N ATOM 0 H ARG A 119 -10.680 -12.036 -16.630 1.00 45.44 H new ATOM 0 HA ARG A 119 -12.904 -11.455 -18.337 1.00 54.32 H new ATOM 0 HB2 ARG A 119 -10.728 -13.534 -18.735 1.00 34.42 H new ATOM 0 HB3 ARG A 119 -11.665 -12.719 -19.971 1.00 34.42 H new ATOM 0 HG2 ARG A 119 -10.547 -10.623 -19.566 1.00 12.01 H new ATOM 0 HG3 ARG A 119 -9.795 -11.229 -18.104 1.00 12.01 H new ATOM 0 HD2 ARG A 119 -9.238 -12.147 -20.951 1.00 74.24 H new ATOM 0 HD3 ARG A 119 -8.161 -11.230 -19.917 1.00 74.24 H new ATOM 0 HE ARG A 119 -8.739 -13.591 -18.498 1.00 63.02 H new ATOM 0 HH11 ARG A 119 -7.289 -12.666 -21.582 1.00 65.13 H new ATOM 0 HH12 ARG A 119 -6.218 -14.071 -21.631 1.00 65.13 H new ATOM 0 HH21 ARG A 119 -7.362 -15.393 -18.570 1.00 64.13 H new ATOM 0 HH22 ARG A 119 -6.259 -15.608 -19.933 1.00 64.13 H new ATOM 1911 N GLU A 120 -12.588 -14.533 -17.149 1.00 3.12 N ATOM 1912 CA GLU A 120 -13.323 -15.764 -16.882 1.00 33.03 C ATOM 1913 C GLU A 120 -14.602 -15.475 -16.100 1.00 32.20 C ATOM 1914 O GLU A 120 -15.680 -15.952 -16.454 1.00 44.34 O ATOM 1915 CB GLU A 120 -12.448 -16.749 -16.104 1.00 30.44 C ATOM 1916 CG GLU A 120 -11.232 -17.225 -16.879 1.00 1.51 C ATOM 1917 CD GLU A 120 -11.561 -17.594 -18.314 1.00 53.43 C ATOM 1918 OE1 GLU A 120 -12.189 -18.653 -18.525 1.00 71.34 O1- ATOM 1919 OE2 GLU A 120 -11.191 -16.824 -19.224 1.00 11.10 O ATOM 0 H GLU A 120 -11.615 -14.548 -16.843 1.00 3.12 H new ATOM 0 HA GLU A 120 -13.595 -16.209 -17.839 1.00 33.03 H new ATOM 0 HB2 GLU A 120 -12.117 -16.276 -15.179 1.00 30.44 H new ATOM 0 HB3 GLU A 120 -13.050 -17.613 -15.822 1.00 30.44 H new ATOM 0 HG2 GLU A 120 -10.474 -16.442 -16.874 1.00 1.51 H new ATOM 0 HG3 GLU A 120 -10.801 -18.090 -16.375 1.00 1.51 H new ATOM 1926 N ALA A 121 -14.473 -14.691 -15.035 1.00 41.02 N ATOM 1927 CA ALA A 121 -15.617 -14.337 -14.204 1.00 30.52 C ATOM 1928 C ALA A 121 -16.759 -13.783 -15.049 1.00 21.14 C ATOM 1929 O ALA A 121 -17.863 -14.327 -15.049 1.00 23.24 O ATOM 1930 CB ALA A 121 -15.205 -13.328 -13.142 1.00 61.44 C ATOM 0 H ALA A 121 -13.588 -14.289 -14.727 1.00 41.02 H new ATOM 0 HA ALA A 121 -15.971 -15.242 -13.711 1.00 30.52 H new ATOM 0 HB1 ALA A 121 -16.069 -13.072 -12.528 1.00 61.44 H new ATOM 0 HB2 ALA A 121 -14.427 -13.760 -12.512 1.00 61.44 H new ATOM 0 HB3 ALA A 121 -14.823 -12.428 -13.624 1.00 61.44 H new ATOM 1936 N GLU A 122 -16.486 -12.697 -15.766 1.00 33.52 N ATOM 1937 CA GLU A 122 -17.493 -12.069 -16.614 1.00 11.20 C ATOM 1938 C GLU A 122 -17.932 -13.014 -17.728 1.00 55.40 C ATOM 1939 O GLU A 122 -19.042 -12.904 -18.248 1.00 21.30 O ATOM 1940 CB GLU A 122 -16.948 -10.772 -17.215 1.00 64.21 C ATOM 1941 CG GLU A 122 -15.835 -10.991 -18.227 1.00 13.33 C ATOM 1942 CD GLU A 122 -15.501 -9.735 -19.007 1.00 3.12 C ATOM 1943 OE1 GLU A 122 -15.963 -8.647 -18.607 1.00 51.22 O1- ATOM 1944 OE2 GLU A 122 -14.775 -9.840 -20.018 1.00 65.03 O ATOM 0 H GLU A 122 -15.577 -12.234 -15.777 1.00 33.52 H new ATOM 0 HA GLU A 122 -18.360 -11.838 -15.995 1.00 11.20 H new ATOM 0 HB2 GLU A 122 -17.764 -10.233 -17.696 1.00 64.21 H new ATOM 0 HB3 GLU A 122 -16.577 -10.137 -16.411 1.00 64.21 H new ATOM 0 HG2 GLU A 122 -14.942 -11.341 -17.709 1.00 13.33 H new ATOM 0 HG3 GLU A 122 -16.130 -11.778 -18.921 1.00 13.33 H new ATOM 1951 N ARG A 123 -17.053 -13.943 -18.089 1.00 41.24 N ATOM 1952 CA ARG A 123 -17.348 -14.907 -19.143 1.00 72.40 C ATOM 1953 C ARG A 123 -18.347 -15.954 -18.657 1.00 72.21 C ATOM 1954 O ARG A 123 -19.158 -16.459 -19.432 1.00 44.14 O ATOM 1955 CB ARG A 123 -16.064 -15.591 -19.613 1.00 64.22 C ATOM 1956 CG ARG A 123 -15.316 -14.814 -20.683 1.00 70.24 C ATOM 1957 CD ARG A 123 -15.877 -15.095 -22.070 1.00 32.51 C ATOM 1958 NE ARG A 123 -17.104 -14.345 -22.325 1.00 10.34 N ATOM 1959 CZ ARG A 123 -17.126 -13.045 -22.599 1.00 11.52 C ATOM 1960 NH1 ARG A 123 -15.995 -12.356 -22.653 1.00 52.13 N1+ ATOM 1961 NH2 ARG A 123 -18.283 -12.433 -22.822 1.00 40.43 N ATOM 0 H ARG A 123 -16.130 -14.049 -17.667 1.00 41.24 H new ATOM 0 HA ARG A 123 -17.791 -14.368 -19.981 1.00 72.40 H new ATOM 0 HB2 ARG A 123 -15.406 -15.738 -18.756 1.00 64.22 H new ATOM 0 HB3 ARG A 123 -16.310 -16.580 -19.999 1.00 64.22 H new ATOM 0 HG2 ARG A 123 -15.382 -13.747 -20.472 1.00 70.24 H new ATOM 0 HG3 ARG A 123 -14.259 -15.080 -20.656 1.00 70.24 H new ATOM 0 HD2 ARG A 123 -15.131 -14.837 -22.822 1.00 32.51 H new ATOM 0 HD3 ARG A 123 -16.076 -16.162 -22.171 1.00 32.51 H new ATOM 0 HE ARG A 123 -17.992 -14.846 -22.291 1.00 10.34 H new ATOM 0 HH11 ARG A 123 -15.104 -12.824 -22.484 1.00 52.13 H new ATOM 0 HH12 ARG A 123 -16.015 -11.358 -22.864 1.00 52.13 H new ATOM 0 HH21 ARG A 123 -19.155 -12.961 -22.783 1.00 40.43 H new ATOM 0 HH22 ARG A 123 -18.300 -11.435 -23.032 1.00 40.43 H new ATOM 1975 N GLY A 124 -18.281 -16.274 -17.369 1.00 5.13 N ATOM 1976 CA GLY A 124 -19.183 -17.260 -16.802 1.00 42.31 C ATOM 1977 C GLY A 124 -18.492 -18.181 -15.817 1.00 72.23 C ATOM 1978 O GLY A 124 -17.273 -18.345 -15.861 1.00 21.50 O ATOM 0 H GLY A 124 -17.619 -15.868 -16.707 1.00 5.13 H new ATOM 0 HA2 GLY A 124 -20.006 -16.749 -16.301 1.00 42.31 H new ATOM 0 HA3 GLY A 124 -19.618 -17.854 -17.606 1.00 42.31 H new TER 1982 GLY A 124