USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 572 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 20 MET CE :methyl -139:sc= -0.257 (180deg=-1) USER MOD Set 2.2: A 21 SER OG : rot 78:sc= 0.8 USER MOD Set 3.1: A 11 GLN : amide:sc= 0.457 K(o=0.98,f=-0.65) USER MOD Set 3.2: A 19 TYR OH : rot 51:sc= 0.521 USER MOD Set 4.1: A 10 TYR OH : rot -124:sc= 0.00835 USER MOD Set 4.2: A 12 HIS : no HD1:sc= 0.0105 X(o=0.019,f=0) USER MOD Single : A 2 SER OG : rot 29:sc= 0.00451 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.015 K(o=-0.015,f=-3.5!) USER MOD Single : A 6 ASN : amide:sc= -0.0713 X(o=-0.071,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -145:sc= 0.702 (180deg=-0.686) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.526 F(o=-3,f=-0.53) USER MOD Single : A 17 SER OG : rot 65:sc= 1.06 USER MOD Single : A 22 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.16) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 34 THR OG1 : rot -93:sc= 1.38 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.202 (180deg=-0.684) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 43 TYR OH : rot 25:sc= 0.536 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= -0.0761 (180deg=-0.36) USER MOD Single : A 83 HIS : no HE2:sc= -0.0239 K(o=-0.024,f=-4.7!) USER MOD Single : A 85 LYS NZ :NH3+ -109:sc= 0.748 (180deg=-0.134) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 1.04 (180deg=0.752) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 0.478 -7.169 0.422 1.00 72.12 N ATOM 21 CA SER A 2 -0.919 -7.667 0.426 1.00 13.21 C ATOM 22 C SER A 2 -1.779 -7.150 -0.746 1.00 2.50 C ATOM 23 O SER A 2 -2.079 -7.890 -1.679 1.00 72.44 O ATOM 24 CB SER A 2 -1.610 -7.347 1.764 1.00 43.25 C ATOM 25 OG SER A 2 -1.015 -8.070 2.831 1.00 2.05 O ATOM 0 HA SER A 2 -0.840 -8.746 0.295 1.00 13.21 H new ATOM 0 HB2 SER A 2 -1.545 -6.278 1.964 1.00 43.25 H new ATOM 0 HB3 SER A 2 -2.669 -7.595 1.698 1.00 43.25 H new ATOM 0 HG SER A 2 -0.073 -8.242 2.624 1.00 2.05 H new ATOM 31 N TRP A 3 -2.185 -5.888 -0.701 1.00 72.23 N ATOM 32 CA TRP A 3 -3.119 -5.342 -1.700 1.00 62.21 C ATOM 33 C TRP A 3 -2.622 -5.522 -3.151 1.00 62.21 C ATOM 34 O TRP A 3 -3.420 -5.745 -4.065 1.00 1.41 O ATOM 35 CB TRP A 3 -3.394 -3.864 -1.411 1.00 51.52 C ATOM 36 CG TRP A 3 -4.097 -3.642 -0.105 1.00 61.03 C ATOM 37 CD1 TRP A 3 -3.521 -3.389 1.105 1.00 65.00 C ATOM 38 CD2 TRP A 3 -5.513 -3.669 0.122 1.00 43.24 C ATOM 39 NE1 TRP A 3 -4.489 -3.239 2.065 1.00 45.41 N ATOM 40 CE2 TRP A 3 -5.719 -3.411 1.488 1.00 53.04 C ATOM 41 CE3 TRP A 3 -6.627 -3.880 -0.698 1.00 12.45 C ATOM 42 CZ2 TRP A 3 -6.990 -3.359 2.055 1.00 42.25 C ATOM 43 CZ3 TRP A 3 -7.889 -3.831 -0.135 1.00 51.41 C ATOM 44 CH2 TRP A 3 -8.061 -3.572 1.231 1.00 11.51 C ATOM 0 H TRP A 3 -1.889 -5.219 0.010 1.00 72.23 H new ATOM 0 HA TRP A 3 -4.044 -5.912 -1.614 1.00 62.21 H new ATOM 0 HB2 TRP A 3 -2.450 -3.319 -1.406 1.00 51.52 H new ATOM 0 HB3 TRP A 3 -3.998 -3.448 -2.217 1.00 51.52 H new ATOM 0 HD1 TRP A 3 -2.458 -3.317 1.281 1.00 65.00 H new ATOM 0 HE1 TRP A 3 -4.320 -3.033 3.050 1.00 45.41 H new ATOM 0 HE3 TRP A 3 -6.503 -4.078 -1.753 1.00 12.45 H new ATOM 0 HZ2 TRP A 3 -7.125 -3.158 3.107 1.00 42.25 H new ATOM 0 HZ3 TRP A 3 -8.756 -3.995 -0.758 1.00 51.41 H new ATOM 0 HH2 TRP A 3 -9.059 -3.540 1.642 1.00 11.51 H new ATOM 55 N MET A 4 -1.308 -5.448 -3.355 1.00 32.11 N ATOM 56 CA MET A 4 -0.727 -5.584 -4.699 1.00 54.52 C ATOM 57 C MET A 4 -0.902 -7.000 -5.280 1.00 70.01 C ATOM 58 O MET A 4 -1.158 -7.154 -6.475 1.00 4.34 O ATOM 59 CB MET A 4 0.751 -5.180 -4.690 1.00 62.44 C ATOM 60 CG MET A 4 0.957 -3.694 -4.432 1.00 11.20 C ATOM 61 SD MET A 4 -0.014 -2.668 -5.558 1.00 43.45 S ATOM 62 CE MET A 4 0.421 -1.023 -4.997 1.00 42.21 C ATOM 0 H MET A 4 -0.624 -5.295 -2.614 1.00 32.11 H new ATOM 0 HA MET A 4 -1.276 -4.906 -5.353 1.00 54.52 H new ATOM 0 HB2 MET A 4 1.274 -5.753 -3.924 1.00 62.44 H new ATOM 0 HB3 MET A 4 1.200 -5.443 -5.648 1.00 62.44 H new ATOM 0 HG2 MET A 4 0.681 -3.463 -3.403 1.00 11.20 H new ATOM 0 HG3 MET A 4 2.014 -3.451 -4.541 1.00 11.20 H new ATOM 0 HE1 MET A 4 -0.104 -0.282 -5.600 1.00 42.21 H new ATOM 0 HE2 MET A 4 0.135 -0.908 -3.951 1.00 42.21 H new ATOM 0 HE3 MET A 4 1.496 -0.877 -5.097 1.00 42.21 H new ATOM 72 N GLN A 5 -0.777 -8.037 -4.447 1.00 64.21 N ATOM 73 CA GLN A 5 -1.030 -9.406 -4.916 1.00 52.42 C ATOM 74 C GLN A 5 -2.527 -9.605 -5.206 1.00 35.41 C ATOM 75 O GLN A 5 -2.901 -10.308 -6.146 1.00 12.34 O ATOM 76 CB GLN A 5 -0.519 -10.456 -3.916 1.00 35.41 C ATOM 77 CG GLN A 5 -1.172 -10.407 -2.543 1.00 2.44 C ATOM 78 CD GLN A 5 -0.656 -11.481 -1.600 1.00 25.22 C ATOM 79 OE1 GLN A 5 -1.208 -12.571 -1.517 1.00 61.05 O ATOM 80 NE2 GLN A 5 0.413 -11.190 -0.888 1.00 10.04 N ATOM 0 H GLN A 5 -0.508 -7.961 -3.466 1.00 64.21 H new ATOM 0 HA GLN A 5 -0.474 -9.548 -5.843 1.00 52.42 H new ATOM 0 HB2 GLN A 5 -0.676 -11.447 -4.341 1.00 35.41 H new ATOM 0 HB3 GLN A 5 0.557 -10.327 -3.795 1.00 35.41 H new ATOM 0 HG2 GLN A 5 -0.997 -9.427 -2.099 1.00 2.44 H new ATOM 0 HG3 GLN A 5 -2.250 -10.518 -2.656 1.00 2.44 H new ATOM 0 HE21 GLN A 5 0.852 -10.274 -0.978 1.00 10.04 H new ATOM 0 HE22 GLN A 5 0.802 -11.881 -0.247 1.00 10.04 H new ATOM 89 N ASN A 6 -3.379 -8.952 -4.410 1.00 64.32 N ATOM 90 CA ASN A 6 -4.824 -8.931 -4.674 1.00 74.01 C ATOM 91 C ASN A 6 -5.122 -8.326 -6.059 1.00 5.14 C ATOM 92 O ASN A 6 -6.085 -8.712 -6.723 1.00 22.33 O ATOM 93 CB ASN A 6 -5.553 -8.147 -3.571 1.00 73.33 C ATOM 94 CG ASN A 6 -7.021 -7.916 -3.885 1.00 4.15 C ATOM 95 OD1 ASN A 6 -7.875 -8.749 -3.602 1.00 41.44 O ATOM 96 ND2 ASN A 6 -7.330 -6.777 -4.470 1.00 72.04 N ATOM 0 H ASN A 6 -3.096 -8.432 -3.579 1.00 64.32 H new ATOM 0 HA ASN A 6 -5.189 -9.958 -4.672 1.00 74.01 H new ATOM 0 HB2 ASN A 6 -5.469 -8.690 -2.630 1.00 73.33 H new ATOM 0 HB3 ASN A 6 -5.061 -7.185 -3.430 1.00 73.33 H new ATOM 0 HD21 ASN A 6 -8.302 -6.569 -4.700 1.00 72.04 H new ATOM 0 HD22 ASN A 6 -6.598 -6.103 -4.693 1.00 72.04 H new ATOM 103 N LEU A 7 -4.295 -7.369 -6.484 1.00 52.34 N ATOM 104 CA LEU A 7 -4.418 -6.784 -7.826 1.00 44.42 C ATOM 105 C LEU A 7 -3.984 -7.783 -8.913 1.00 64.45 C ATOM 106 O LEU A 7 -4.777 -8.155 -9.781 1.00 12.35 O ATOM 107 CB LEU A 7 -3.579 -5.504 -7.934 1.00 24.35 C ATOM 108 CG LEU A 7 -3.989 -4.356 -6.998 1.00 0.31 C ATOM 109 CD1 LEU A 7 -3.048 -3.165 -7.173 1.00 0.41 C ATOM 110 CD2 LEU A 7 -5.437 -3.941 -7.252 1.00 22.21 C ATOM 0 H LEU A 7 -3.536 -6.982 -5.924 1.00 52.34 H new ATOM 0 HA LEU A 7 -5.468 -6.539 -7.983 1.00 44.42 H new ATOM 0 HB2 LEU A 7 -2.538 -5.756 -7.734 1.00 24.35 H new ATOM 0 HB3 LEU A 7 -3.628 -5.145 -8.962 1.00 24.35 H new ATOM 0 HG LEU A 7 -3.914 -4.708 -5.969 1.00 0.31 H new ATOM 0 HD11 LEU A 7 -3.351 -2.360 -6.503 1.00 0.41 H new ATOM 0 HD12 LEU A 7 -2.028 -3.469 -6.936 1.00 0.41 H new ATOM 0 HD13 LEU A 7 -3.092 -2.815 -8.204 1.00 0.41 H new ATOM 0 HD21 LEU A 7 -5.706 -3.127 -6.578 1.00 22.21 H new ATOM 0 HD22 LEU A 7 -5.544 -3.608 -8.284 1.00 22.21 H new ATOM 0 HD23 LEU A 7 -6.096 -4.791 -7.075 1.00 22.21 H new ATOM 122 N LYS A 8 -2.727 -8.237 -8.845 1.00 62.41 N ATOM 123 CA LYS A 8 -2.183 -9.168 -9.848 1.00 21.44 C ATOM 124 C LYS A 8 -2.827 -10.567 -9.762 1.00 61.54 C ATOM 125 O LYS A 8 -2.476 -11.467 -10.528 1.00 72.44 O ATOM 126 CB LYS A 8 -0.662 -9.314 -9.697 1.00 24.21 C ATOM 127 CG LYS A 8 -0.235 -9.957 -8.377 1.00 52.31 C ATOM 128 CD LYS A 8 1.034 -10.795 -8.523 1.00 13.44 C ATOM 129 CE LYS A 8 0.819 -11.983 -9.462 1.00 52.15 C ATOM 130 NZ LYS A 8 -0.353 -12.815 -9.060 1.00 72.15 N ATOM 0 H LYS A 8 -2.068 -7.978 -8.111 1.00 62.41 H new ATOM 0 HA LYS A 8 -2.420 -8.737 -10.821 1.00 21.44 H new ATOM 0 HB2 LYS A 8 -0.279 -9.913 -10.523 1.00 24.21 H new ATOM 0 HB3 LYS A 8 -0.201 -8.329 -9.777 1.00 24.21 H new ATOM 0 HG2 LYS A 8 -0.069 -9.178 -7.633 1.00 52.31 H new ATOM 0 HG3 LYS A 8 -1.043 -10.587 -8.004 1.00 52.31 H new ATOM 0 HD2 LYS A 8 1.841 -10.170 -8.905 1.00 13.44 H new ATOM 0 HD3 LYS A 8 1.347 -11.157 -7.543 1.00 13.44 H new ATOM 0 HE2 LYS A 8 0.672 -11.618 -10.479 1.00 52.15 H new ATOM 0 HE3 LYS A 8 1.716 -12.603 -9.472 1.00 52.15 H new ATOM 0 HZ1 LYS A 8 -0.155 -13.815 -9.264 1.00 72.15 H new ATOM 0 HZ2 LYS A 8 -0.529 -12.698 -8.042 1.00 72.15 H new ATOM 0 HZ3 LYS A 8 -1.193 -12.512 -9.593 1.00 72.15 H new ATOM 144 N ASN A 9 -3.723 -10.764 -8.801 1.00 13.04 N ATOM 145 CA ASN A 9 -4.455 -12.027 -8.678 1.00 53.21 C ATOM 146 C ASN A 9 -5.346 -12.289 -9.903 1.00 33.43 C ATOM 147 O ASN A 9 -5.555 -13.437 -10.298 1.00 71.31 O ATOM 148 CB ASN A 9 -5.307 -12.018 -7.405 1.00 40.52 C ATOM 149 CG ASN A 9 -6.112 -13.293 -7.236 1.00 43.54 C ATOM 150 OD1 ASN A 9 -5.505 -14.300 -6.654 1.00 3.52 O flip ATOM 151 ND2 ASN A 9 -7.266 -13.380 -7.645 1.00 14.42 N flip ATOM 0 H ASN A 9 -3.962 -10.068 -8.095 1.00 13.04 H new ATOM 0 HA ASN A 9 -3.722 -12.831 -8.621 1.00 53.21 H new ATOM 0 HB2 ASN A 9 -4.659 -11.884 -6.539 1.00 40.52 H new ATOM 0 HB3 ASN A 9 -5.985 -11.165 -7.431 1.00 40.52 H new ATOM 0 HD21 ASN A 9 -7.710 -12.579 -8.093 1.00 14.42 H new ATOM 0 HD22 ASN A 9 -7.781 -14.254 -7.537 1.00 14.42 H new ATOM 158 N TYR A 10 -5.862 -11.221 -10.506 1.00 62.23 N ATOM 159 CA TYR A 10 -6.779 -11.349 -11.643 1.00 73.44 C ATOM 160 C TYR A 10 -6.376 -10.403 -12.787 1.00 53.24 C ATOM 161 O TYR A 10 -6.873 -9.284 -12.886 1.00 41.13 O ATOM 162 CB TYR A 10 -8.218 -11.069 -11.175 1.00 74.24 C ATOM 163 CG TYR A 10 -9.294 -11.422 -12.187 1.00 24.44 C ATOM 164 CD1 TYR A 10 -9.449 -12.729 -12.635 1.00 22.33 C ATOM 165 CD2 TYR A 10 -10.163 -10.453 -12.681 1.00 74.20 C ATOM 166 CE1 TYR A 10 -10.433 -13.061 -13.546 1.00 33.35 C ATOM 167 CE2 TYR A 10 -11.152 -10.779 -13.591 1.00 61.14 C ATOM 168 CZ TYR A 10 -11.282 -12.083 -14.019 1.00 73.14 C ATOM 169 OH TYR A 10 -12.266 -12.414 -14.922 1.00 32.23 O ATOM 0 H TYR A 10 -5.664 -10.259 -10.230 1.00 62.23 H new ATOM 0 HA TYR A 10 -6.724 -12.367 -12.029 1.00 73.44 H new ATOM 0 HB2 TYR A 10 -8.403 -11.629 -10.258 1.00 74.24 H new ATOM 0 HB3 TYR A 10 -8.305 -10.011 -10.926 1.00 74.24 H new ATOM 0 HD1 TYR A 10 -8.788 -13.499 -12.264 1.00 22.33 H new ATOM 0 HD2 TYR A 10 -10.063 -9.430 -12.348 1.00 74.20 H new ATOM 0 HE1 TYR A 10 -10.537 -14.081 -13.886 1.00 33.35 H new ATOM 0 HE2 TYR A 10 -11.819 -10.016 -13.964 1.00 61.14 H new ATOM 0 HH TYR A 10 -12.173 -11.860 -15.725 1.00 32.23 H new ATOM 179 N GLN A 11 -5.461 -10.870 -13.643 1.00 34.12 N ATOM 180 CA GLN A 11 -4.905 -10.051 -14.736 1.00 53.24 C ATOM 181 C GLN A 11 -5.992 -9.539 -15.699 1.00 55.34 C ATOM 182 O GLN A 11 -5.872 -8.451 -16.273 1.00 22.21 O ATOM 183 CB GLN A 11 -3.849 -10.862 -15.506 1.00 12.31 C ATOM 184 CG GLN A 11 -3.241 -10.136 -16.707 1.00 52.24 C ATOM 185 CD GLN A 11 -2.646 -8.781 -16.352 1.00 0.42 C ATOM 186 OE1 GLN A 11 -2.214 -8.550 -15.231 1.00 52.10 O ATOM 187 NE2 GLN A 11 -2.598 -7.882 -17.313 1.00 20.33 N ATOM 0 H GLN A 11 -5.085 -11.817 -13.603 1.00 34.12 H new ATOM 0 HA GLN A 11 -4.441 -9.173 -14.286 1.00 53.24 H new ATOM 0 HB2 GLN A 11 -3.048 -11.135 -14.819 1.00 12.31 H new ATOM 0 HB3 GLN A 11 -4.303 -11.791 -15.851 1.00 12.31 H new ATOM 0 HG2 GLN A 11 -2.465 -10.762 -17.147 1.00 52.24 H new ATOM 0 HG3 GLN A 11 -4.010 -10.000 -17.468 1.00 52.24 H new ATOM 0 HE21 GLN A 11 -2.966 -8.104 -18.238 1.00 20.33 H new ATOM 0 HE22 GLN A 11 -2.192 -6.964 -17.132 1.00 20.33 H new ATOM 196 N HIS A 12 -7.044 -10.333 -15.878 1.00 43.02 N ATOM 197 CA HIS A 12 -8.170 -9.947 -16.732 1.00 71.21 C ATOM 198 C HIS A 12 -8.778 -8.612 -16.264 1.00 75.43 C ATOM 199 O HIS A 12 -9.410 -8.545 -15.207 1.00 72.14 O ATOM 200 CB HIS A 12 -9.231 -11.056 -16.726 1.00 34.21 C ATOM 201 CG HIS A 12 -10.307 -10.875 -17.756 1.00 52.13 C ATOM 202 ND1 HIS A 12 -11.500 -10.233 -17.499 1.00 2.43 N ATOM 203 CD2 HIS A 12 -10.370 -11.269 -19.053 1.00 32.33 C ATOM 204 CE1 HIS A 12 -12.246 -10.242 -18.586 1.00 11.11 C ATOM 205 NE2 HIS A 12 -11.586 -10.860 -19.541 1.00 34.33 N ATOM 0 H HIS A 12 -7.143 -11.250 -15.443 1.00 43.02 H new ATOM 0 HA HIS A 12 -7.807 -9.811 -17.751 1.00 71.21 H new ATOM 0 HB2 HIS A 12 -8.741 -12.015 -16.892 1.00 34.21 H new ATOM 0 HB3 HIS A 12 -9.691 -11.100 -15.739 1.00 34.21 H new ATOM 0 HD2 HIS A 12 -9.607 -11.804 -19.599 1.00 32.33 H new ATOM 0 HE1 HIS A 12 -13.233 -9.814 -18.677 1.00 11.11 H new ATOM 0 HE2 HIS A 12 -11.924 -11.011 -20.492 1.00 34.33 H new ATOM 214 N LEU A 13 -8.568 -7.561 -17.063 1.00 22.31 N ATOM 215 CA LEU A 13 -9.006 -6.193 -16.729 1.00 72.40 C ATOM 216 C LEU A 13 -8.141 -5.589 -15.597 1.00 43.12 C ATOM 217 O LEU A 13 -8.650 -5.023 -14.627 1.00 3.02 O ATOM 218 CB LEU A 13 -10.510 -6.165 -16.364 1.00 51.21 C ATOM 219 CG LEU A 13 -11.119 -4.768 -16.123 1.00 41.12 C ATOM 220 CD1 LEU A 13 -11.003 -3.900 -17.371 1.00 52.42 C ATOM 221 CD2 LEU A 13 -12.576 -4.880 -15.676 1.00 31.32 C ATOM 0 H LEU A 13 -8.090 -7.630 -17.961 1.00 22.31 H new ATOM 0 HA LEU A 13 -8.868 -5.572 -17.614 1.00 72.40 H new ATOM 0 HB2 LEU A 13 -11.068 -6.650 -17.165 1.00 51.21 H new ATOM 0 HB3 LEU A 13 -10.657 -6.764 -15.465 1.00 51.21 H new ATOM 0 HG LEU A 13 -10.554 -4.288 -15.324 1.00 41.12 H new ATOM 0 HD11 LEU A 13 -11.440 -2.921 -17.175 1.00 52.42 H new ATOM 0 HD12 LEU A 13 -9.952 -3.782 -17.636 1.00 52.42 H new ATOM 0 HD13 LEU A 13 -11.534 -4.375 -18.196 1.00 52.42 H new ATOM 0 HD21 LEU A 13 -12.984 -3.883 -15.512 1.00 31.32 H new ATOM 0 HD22 LEU A 13 -13.155 -5.387 -16.448 1.00 31.32 H new ATOM 0 HD23 LEU A 13 -12.629 -5.451 -14.749 1.00 31.32 H new ATOM 233 N ARG A 14 -6.822 -5.729 -15.726 1.00 24.44 N ATOM 234 CA ARG A 14 -5.869 -5.069 -14.818 1.00 42.20 C ATOM 235 C ARG A 14 -4.774 -4.315 -15.590 1.00 44.51 C ATOM 236 O ARG A 14 -4.745 -4.314 -16.824 1.00 62.25 O ATOM 237 CB ARG A 14 -5.230 -6.084 -13.852 1.00 71.31 C ATOM 238 CG ARG A 14 -6.081 -6.400 -12.628 1.00 2.25 C ATOM 239 CD ARG A 14 -6.445 -5.133 -11.861 1.00 14.44 C ATOM 240 NE ARG A 14 -5.273 -4.291 -11.611 1.00 52.42 N ATOM 241 CZ ARG A 14 -5.258 -2.989 -11.715 1.00 41.13 C ATOM 242 NH1 ARG A 14 -6.341 -2.336 -11.989 1.00 74.25 N ATOM 243 NH2 ARG A 14 -4.153 -2.343 -11.532 1.00 44.22 N ATOM 0 H ARG A 14 -6.382 -6.295 -16.452 1.00 24.44 H new ATOM 0 HA ARG A 14 -6.436 -4.341 -14.238 1.00 42.20 H new ATOM 0 HB2 ARG A 14 -5.033 -7.010 -14.393 1.00 71.31 H new ATOM 0 HB3 ARG A 14 -4.266 -5.697 -13.521 1.00 71.31 H new ATOM 0 HG2 ARG A 14 -6.991 -6.913 -12.938 1.00 2.25 H new ATOM 0 HG3 ARG A 14 -5.539 -7.081 -11.972 1.00 2.25 H new ATOM 0 HD2 ARG A 14 -7.185 -4.567 -12.426 1.00 14.44 H new ATOM 0 HD3 ARG A 14 -6.907 -5.403 -10.912 1.00 14.44 H new ATOM 0 HE ARG A 14 -4.407 -4.754 -11.336 1.00 52.42 H new ATOM 0 HH11 ARG A 14 -7.218 -2.838 -12.126 1.00 74.25 H new ATOM 0 HH12 ARG A 14 -6.317 -1.319 -12.068 1.00 74.25 H new ATOM 0 HH21 ARG A 14 -3.297 -2.850 -11.307 1.00 44.22 H new ATOM 0 HH22 ARG A 14 -4.137 -1.326 -11.612 1.00 44.22 H new ATOM 257 N ASP A 15 -3.870 -3.676 -14.849 1.00 40.40 N ATOM 258 CA ASP A 15 -2.800 -2.872 -15.444 1.00 4.42 C ATOM 259 C ASP A 15 -1.417 -3.350 -14.955 1.00 55.13 C ATOM 260 O ASP A 15 -1.251 -3.689 -13.786 1.00 53.33 O ATOM 261 CB ASP A 15 -3.014 -1.394 -15.087 1.00 20.31 C ATOM 262 CG ASP A 15 -2.094 -0.469 -15.862 1.00 51.03 C ATOM 263 OD1 ASP A 15 -0.933 -0.293 -15.447 1.00 72.13 O ATOM 264 OD2 ASP A 15 -2.523 0.067 -16.906 1.00 63.30 O ATOM 0 H ASP A 15 -3.857 -3.699 -13.829 1.00 40.40 H new ATOM 0 HA ASP A 15 -2.830 -2.990 -16.527 1.00 4.42 H new ATOM 0 HB2 ASP A 15 -4.050 -1.122 -15.287 1.00 20.31 H new ATOM 0 HB3 ASP A 15 -2.849 -1.254 -14.019 1.00 20.31 H new ATOM 269 N PRO A 16 -0.400 -3.376 -15.844 1.00 34.31 N ATOM 270 CA PRO A 16 0.968 -3.826 -15.491 1.00 41.43 C ATOM 271 C PRO A 16 1.631 -3.048 -14.328 1.00 3.13 C ATOM 272 O PRO A 16 2.728 -3.412 -13.887 1.00 21.43 O ATOM 273 CB PRO A 16 1.758 -3.598 -16.790 1.00 33.04 C ATOM 274 CG PRO A 16 0.731 -3.605 -17.872 1.00 63.11 C ATOM 275 CD PRO A 16 -0.502 -2.996 -17.268 1.00 42.25 C ATOM 0 HA PRO A 16 0.947 -4.855 -15.133 1.00 41.43 H new ATOM 0 HB2 PRO A 16 2.297 -2.651 -16.763 1.00 33.04 H new ATOM 0 HB3 PRO A 16 2.499 -4.382 -16.944 1.00 33.04 H new ATOM 0 HG2 PRO A 16 1.068 -3.031 -18.735 1.00 63.11 H new ATOM 0 HG3 PRO A 16 0.536 -4.619 -18.220 1.00 63.11 H new ATOM 0 HD2 PRO A 16 -0.521 -1.914 -17.396 1.00 42.25 H new ATOM 0 HD3 PRO A 16 -1.411 -3.387 -17.726 1.00 42.25 H new ATOM 283 N SER A 17 0.978 -1.986 -13.840 1.00 55.54 N ATOM 284 CA SER A 17 1.520 -1.160 -12.739 1.00 70.42 C ATOM 285 C SER A 17 2.047 -2.005 -11.566 1.00 15.44 C ATOM 286 O SER A 17 3.216 -1.888 -11.186 1.00 52.32 O ATOM 287 CB SER A 17 0.462 -0.174 -12.218 1.00 53.03 C ATOM 288 OG SER A 17 0.207 0.862 -13.155 1.00 54.54 O ATOM 0 H SER A 17 0.071 -1.673 -14.187 1.00 55.54 H new ATOM 0 HA SER A 17 2.361 -0.610 -13.161 1.00 70.42 H new ATOM 0 HB2 SER A 17 -0.463 -0.710 -12.007 1.00 53.03 H new ATOM 0 HB3 SER A 17 0.801 0.260 -11.277 1.00 53.03 H new ATOM 0 HG SER A 17 -0.190 0.480 -13.965 1.00 54.54 H new ATOM 294 N GLU A 18 1.190 -2.851 -10.990 1.00 34.45 N ATOM 295 CA GLU A 18 1.592 -3.698 -9.858 1.00 74.32 C ATOM 296 C GLU A 18 2.749 -4.642 -10.232 1.00 31.45 C ATOM 297 O GLU A 18 3.716 -4.758 -9.487 1.00 5.42 O ATOM 298 CB GLU A 18 0.401 -4.503 -9.298 1.00 51.41 C ATOM 299 CG GLU A 18 -0.417 -5.252 -10.352 1.00 12.13 C ATOM 300 CD GLU A 18 -1.644 -4.481 -10.826 1.00 34.14 C ATOM 301 OE1 GLU A 18 -1.597 -3.232 -10.870 1.00 11.21 O ATOM 302 OE2 GLU A 18 -2.657 -5.120 -11.155 1.00 55.13 O ATOM 0 H GLU A 18 0.220 -2.970 -11.284 1.00 34.45 H new ATOM 0 HA GLU A 18 1.945 -3.026 -9.076 1.00 74.32 H new ATOM 0 HB2 GLU A 18 0.776 -5.223 -8.570 1.00 51.41 H new ATOM 0 HB3 GLU A 18 -0.260 -3.822 -8.761 1.00 51.41 H new ATOM 0 HG2 GLU A 18 0.220 -5.469 -11.209 1.00 12.13 H new ATOM 0 HG3 GLU A 18 -0.735 -6.210 -9.941 1.00 12.13 H new ATOM 309 N TYR A 19 2.660 -5.291 -11.395 1.00 22.12 N ATOM 310 CA TYR A 19 3.728 -6.193 -11.867 1.00 1.34 C ATOM 311 C TYR A 19 5.099 -5.491 -11.843 1.00 21.42 C ATOM 312 O TYR A 19 6.068 -5.995 -11.259 1.00 45.10 O ATOM 313 CB TYR A 19 3.414 -6.693 -13.289 1.00 43.23 C ATOM 314 CG TYR A 19 2.249 -7.666 -13.357 1.00 2.42 C ATOM 315 CD1 TYR A 19 0.969 -7.274 -12.984 1.00 32.04 C ATOM 316 CD2 TYR A 19 2.432 -8.982 -13.782 1.00 51.44 C ATOM 317 CE1 TYR A 19 -0.091 -8.156 -13.034 1.00 22.12 C ATOM 318 CE2 TYR A 19 1.376 -9.868 -13.832 1.00 64.55 C ATOM 319 CZ TYR A 19 0.118 -9.452 -13.455 1.00 63.42 C ATOM 320 OH TYR A 19 -0.936 -10.332 -13.502 1.00 71.33 O ATOM 0 H TYR A 19 1.865 -5.213 -12.029 1.00 22.12 H new ATOM 0 HA TYR A 19 3.771 -7.047 -11.191 1.00 1.34 H new ATOM 0 HB2 TYR A 19 3.196 -5.835 -13.925 1.00 43.23 H new ATOM 0 HB3 TYR A 19 4.302 -7.175 -13.698 1.00 43.23 H new ATOM 0 HD1 TYR A 19 0.801 -6.261 -12.649 1.00 32.04 H new ATOM 0 HD2 TYR A 19 3.417 -9.313 -14.077 1.00 51.44 H new ATOM 0 HE1 TYR A 19 -1.080 -7.832 -12.745 1.00 22.12 H new ATOM 0 HE2 TYR A 19 1.535 -10.883 -14.165 1.00 64.55 H new ATOM 0 HH TYR A 19 -1.680 -9.925 -13.993 1.00 71.33 H new ATOM 330 N MET A 20 5.158 -4.314 -12.458 1.00 25.00 N ATOM 331 CA MET A 20 6.370 -3.489 -12.463 1.00 10.52 C ATOM 332 C MET A 20 6.772 -3.079 -11.032 1.00 2.50 C ATOM 333 O MET A 20 7.952 -2.893 -10.733 1.00 2.13 O ATOM 334 CB MET A 20 6.134 -2.252 -13.349 1.00 21.52 C ATOM 335 CG MET A 20 7.312 -1.283 -13.433 1.00 71.52 C ATOM 336 SD MET A 20 7.522 -0.289 -11.940 1.00 4.34 S ATOM 337 CE MET A 20 5.975 0.616 -11.904 1.00 34.21 C ATOM 0 H MET A 20 4.374 -3.903 -12.965 1.00 25.00 H new ATOM 0 HA MET A 20 7.196 -4.071 -12.872 1.00 10.52 H new ATOM 0 HB2 MET A 20 5.886 -2.587 -14.356 1.00 21.52 H new ATOM 0 HB3 MET A 20 5.266 -1.713 -12.970 1.00 21.52 H new ATOM 0 HG2 MET A 20 8.226 -1.847 -13.618 1.00 71.52 H new ATOM 0 HG3 MET A 20 7.169 -0.620 -14.286 1.00 71.52 H new ATOM 0 HE1 MET A 20 6.165 1.649 -11.613 1.00 34.21 H new ATOM 0 HE2 MET A 20 5.518 0.596 -12.894 1.00 34.21 H new ATOM 0 HE3 MET A 20 5.300 0.154 -11.183 1.00 34.21 H new ATOM 347 N SER A 21 5.781 -2.963 -10.149 1.00 21.20 N ATOM 348 CA SER A 21 6.022 -2.563 -8.753 1.00 75.40 C ATOM 349 C SER A 21 6.440 -3.750 -7.867 1.00 24.40 C ATOM 350 O SER A 21 7.026 -3.553 -6.803 1.00 21.11 O ATOM 351 CB SER A 21 4.765 -1.905 -8.159 1.00 61.25 C ATOM 352 OG SER A 21 4.410 -0.720 -8.862 1.00 75.43 O ATOM 0 H SER A 21 4.801 -3.139 -10.371 1.00 21.20 H new ATOM 0 HA SER A 21 6.845 -1.849 -8.769 1.00 75.40 H new ATOM 0 HB2 SER A 21 3.935 -2.610 -8.192 1.00 61.25 H new ATOM 0 HB3 SER A 21 4.940 -1.667 -7.110 1.00 61.25 H new ATOM 0 HG SER A 21 3.963 -0.959 -9.701 1.00 75.43 H new ATOM 358 N GLN A 22 6.131 -4.976 -8.300 1.00 60.22 N ATOM 359 CA GLN A 22 6.430 -6.177 -7.501 1.00 41.11 C ATOM 360 C GLN A 22 7.864 -6.688 -7.725 1.00 35.54 C ATOM 361 O GLN A 22 8.544 -7.071 -6.774 1.00 61.41 O ATOM 362 CB GLN A 22 5.422 -7.301 -7.804 1.00 24.24 C ATOM 363 CG GLN A 22 3.975 -6.961 -7.442 1.00 63.21 C ATOM 364 CD GLN A 22 3.780 -6.640 -5.965 1.00 75.33 C ATOM 365 OE1 GLN A 22 3.910 -5.498 -5.540 1.00 54.32 O ATOM 366 NE2 GLN A 22 3.453 -7.641 -5.173 1.00 62.12 N ATOM 0 H GLN A 22 5.677 -5.167 -9.193 1.00 60.22 H new ATOM 0 HA GLN A 22 6.342 -5.885 -6.455 1.00 41.11 H new ATOM 0 HB2 GLN A 22 5.472 -7.542 -8.866 1.00 24.24 H new ATOM 0 HB3 GLN A 22 5.720 -8.197 -7.260 1.00 24.24 H new ATOM 0 HG2 GLN A 22 3.650 -6.108 -8.038 1.00 63.21 H new ATOM 0 HG3 GLN A 22 3.334 -7.800 -7.711 1.00 63.21 H new ATOM 0 HE21 GLN A 22 3.352 -8.581 -5.555 1.00 62.12 H new ATOM 0 HE22 GLN A 22 3.301 -7.475 -4.178 1.00 62.12 H new ATOM 375 N VAL A 23 8.328 -6.718 -8.976 1.00 44.35 N ATOM 376 CA VAL A 23 9.695 -7.190 -9.262 1.00 42.05 C ATOM 377 C VAL A 23 10.721 -6.043 -9.235 1.00 22.22 C ATOM 378 O VAL A 23 10.580 -5.044 -9.944 1.00 21.32 O ATOM 379 CB VAL A 23 9.780 -7.936 -10.616 1.00 35.03 C ATOM 380 CG1 VAL A 23 11.229 -8.304 -10.948 1.00 43.03 C ATOM 381 CG2 VAL A 23 8.904 -9.187 -10.584 1.00 4.21 C ATOM 0 H VAL A 23 7.794 -6.429 -9.796 1.00 44.35 H new ATOM 0 HA VAL A 23 9.942 -7.891 -8.465 1.00 42.05 H new ATOM 0 HB VAL A 23 9.414 -7.271 -11.398 1.00 35.03 H new ATOM 0 HG11 VAL A 23 11.262 -8.827 -11.904 1.00 43.03 H new ATOM 0 HG12 VAL A 23 11.830 -7.397 -11.010 1.00 43.03 H new ATOM 0 HG13 VAL A 23 11.628 -8.951 -10.167 1.00 43.03 H new ATOM 0 HG21 VAL A 23 8.972 -9.703 -11.542 1.00 4.21 H new ATOM 0 HG22 VAL A 23 9.246 -9.850 -9.789 1.00 4.21 H new ATOM 0 HG23 VAL A 23 7.869 -8.901 -10.398 1.00 4.21 H new ATOM 391 N TYR A 24 11.761 -6.210 -8.415 1.00 11.40 N ATOM 392 CA TYR A 24 12.791 -5.178 -8.230 1.00 43.12 C ATOM 393 C TYR A 24 13.797 -5.132 -9.395 1.00 22.14 C ATOM 394 O TYR A 24 13.841 -4.155 -10.148 1.00 50.53 O ATOM 395 CB TYR A 24 13.538 -5.421 -6.908 1.00 12.05 C ATOM 396 CG TYR A 24 14.655 -4.428 -6.637 1.00 43.54 C ATOM 397 CD1 TYR A 24 14.396 -3.213 -6.015 1.00 52.22 C ATOM 398 CD2 TYR A 24 15.968 -4.709 -7.003 1.00 72.45 C ATOM 399 CE1 TYR A 24 15.411 -2.310 -5.767 1.00 21.42 C ATOM 400 CE2 TYR A 24 16.988 -3.813 -6.758 1.00 62.14 C ATOM 401 CZ TYR A 24 16.706 -2.614 -6.138 1.00 2.22 C ATOM 402 OH TYR A 24 17.719 -1.716 -5.884 1.00 42.14 O ATOM 0 H TYR A 24 11.915 -7.055 -7.864 1.00 11.40 H new ATOM 0 HA TYR A 24 12.282 -4.214 -8.204 1.00 43.12 H new ATOM 0 HB2 TYR A 24 12.823 -5.381 -6.086 1.00 12.05 H new ATOM 0 HB3 TYR A 24 13.956 -6.428 -6.918 1.00 12.05 H new ATOM 0 HD1 TYR A 24 13.385 -2.971 -5.721 1.00 52.22 H new ATOM 0 HD2 TYR A 24 16.193 -5.647 -7.488 1.00 72.45 H new ATOM 0 HE1 TYR A 24 15.193 -1.369 -5.284 1.00 21.42 H new ATOM 0 HE2 TYR A 24 18.001 -4.049 -7.050 1.00 62.14 H new ATOM 0 HH TYR A 24 18.569 -2.082 -6.206 1.00 42.14 H new ATOM 412 N GLY A 25 14.610 -6.186 -9.514 1.00 61.25 N ATOM 413 CA GLY A 25 15.694 -6.231 -10.496 1.00 70.30 C ATOM 414 C GLY A 25 15.301 -5.795 -11.900 1.00 1.30 C ATOM 415 O GLY A 25 15.644 -4.692 -12.332 1.00 62.44 O ATOM 0 H GLY A 25 14.536 -7.024 -8.937 1.00 61.25 H new ATOM 0 HA2 GLY A 25 16.508 -5.595 -10.148 1.00 70.30 H new ATOM 0 HA3 GLY A 25 16.082 -7.249 -10.542 1.00 70.30 H new ATOM 419 N ASP A 26 14.597 -6.656 -12.626 1.00 71.20 N ATOM 420 CA ASP A 26 14.195 -6.347 -14.000 1.00 34.43 C ATOM 421 C ASP A 26 12.671 -6.154 -14.119 1.00 20.11 C ATOM 422 O ASP A 26 11.933 -7.102 -14.400 1.00 24.14 O ATOM 423 CB ASP A 26 14.667 -7.457 -14.942 1.00 30.13 C ATOM 424 CG ASP A 26 16.141 -7.777 -14.761 1.00 11.21 C ATOM 425 OD1 ASP A 26 16.988 -7.034 -15.298 1.00 62.43 O ATOM 426 OD2 ASP A 26 16.460 -8.769 -14.074 1.00 73.22 O ATOM 0 H ASP A 26 14.292 -7.570 -12.291 1.00 71.20 H new ATOM 0 HA ASP A 26 14.666 -5.406 -14.285 1.00 34.43 H new ATOM 0 HB2 ASP A 26 14.078 -8.357 -14.765 1.00 30.13 H new ATOM 0 HB3 ASP A 26 14.487 -7.156 -15.974 1.00 30.13 H new ATOM 431 N PRO A 27 12.171 -4.918 -13.897 1.00 14.33 N ATOM 432 CA PRO A 27 10.736 -4.610 -14.028 1.00 3.21 C ATOM 433 C PRO A 27 10.215 -4.858 -15.450 1.00 10.14 C ATOM 434 O PRO A 27 9.105 -5.356 -15.641 1.00 2.14 O ATOM 435 CB PRO A 27 10.647 -3.115 -13.673 1.00 32.31 C ATOM 436 CG PRO A 27 11.895 -2.826 -12.907 1.00 13.05 C ATOM 437 CD PRO A 27 12.947 -3.736 -13.481 1.00 74.00 C ATOM 0 HA PRO A 27 10.126 -5.245 -13.386 1.00 3.21 H new ATOM 0 HB2 PRO A 27 10.583 -2.499 -14.570 1.00 32.31 H new ATOM 0 HB3 PRO A 27 9.760 -2.903 -13.077 1.00 32.31 H new ATOM 0 HG2 PRO A 27 12.184 -1.780 -13.010 1.00 13.05 H new ATOM 0 HG3 PRO A 27 11.753 -3.014 -11.843 1.00 13.05 H new ATOM 0 HD2 PRO A 27 13.463 -3.275 -14.323 1.00 74.00 H new ATOM 0 HD3 PRO A 27 13.707 -3.991 -12.742 1.00 74.00 H new ATOM 445 N LEU A 28 11.037 -4.512 -16.444 1.00 63.23 N ATOM 446 CA LEU A 28 10.687 -4.710 -17.856 1.00 61.13 C ATOM 447 C LEU A 28 10.431 -6.192 -18.177 1.00 11.22 C ATOM 448 O LEU A 28 9.669 -6.514 -19.087 1.00 4.13 O ATOM 449 CB LEU A 28 11.787 -4.160 -18.786 1.00 24.21 C ATOM 450 CG LEU A 28 13.148 -4.893 -18.748 1.00 0.35 C ATOM 451 CD1 LEU A 28 14.028 -4.455 -19.920 1.00 74.32 C ATOM 452 CD2 LEU A 28 13.873 -4.649 -17.423 1.00 44.52 C ATOM 0 H LEU A 28 11.954 -4.091 -16.297 1.00 63.23 H new ATOM 0 HA LEU A 28 9.765 -4.156 -18.032 1.00 61.13 H new ATOM 0 HB2 LEU A 28 11.413 -4.186 -19.810 1.00 24.21 H new ATOM 0 HB3 LEU A 28 11.956 -3.113 -18.534 1.00 24.21 H new ATOM 0 HG LEU A 28 12.952 -5.962 -18.835 1.00 0.35 H new ATOM 0 HD11 LEU A 28 14.981 -4.982 -19.876 1.00 74.32 H new ATOM 0 HD12 LEU A 28 13.527 -4.690 -20.859 1.00 74.32 H new ATOM 0 HD13 LEU A 28 14.204 -3.381 -19.861 1.00 74.32 H new ATOM 0 HD21 LEU A 28 14.826 -5.177 -17.427 1.00 44.52 H new ATOM 0 HD22 LEU A 28 14.051 -3.581 -17.297 1.00 44.52 H new ATOM 0 HD23 LEU A 28 13.259 -5.014 -16.600 1.00 44.52 H new ATOM 464 N ALA A 29 11.065 -7.086 -17.419 1.00 4.55 N ATOM 465 CA ALA A 29 10.885 -8.528 -17.611 1.00 51.55 C ATOM 466 C ALA A 29 9.467 -8.971 -17.243 1.00 53.23 C ATOM 467 O ALA A 29 8.737 -9.509 -18.075 1.00 64.20 O ATOM 468 CB ALA A 29 11.898 -9.294 -16.780 1.00 30.23 C ATOM 0 H ALA A 29 11.708 -6.839 -16.666 1.00 4.55 H new ATOM 0 HA ALA A 29 11.042 -8.746 -18.667 1.00 51.55 H new ATOM 0 HB1 ALA A 29 11.756 -10.364 -16.929 1.00 30.23 H new ATOM 0 HB2 ALA A 29 12.906 -9.015 -17.087 1.00 30.23 H new ATOM 0 HB3 ALA A 29 11.760 -9.053 -15.726 1.00 30.23 H new ATOM 474 N TYR A 30 9.081 -8.740 -15.989 1.00 72.41 N ATOM 475 CA TYR A 30 7.734 -9.084 -15.525 1.00 34.41 C ATOM 476 C TYR A 30 6.683 -8.284 -16.314 1.00 44.23 C ATOM 477 O TYR A 30 5.572 -8.756 -16.555 1.00 62.32 O ATOM 478 CB TYR A 30 7.610 -8.823 -14.014 1.00 71.52 C ATOM 479 CG TYR A 30 6.544 -9.659 -13.315 1.00 1.14 C ATOM 480 CD1 TYR A 30 6.279 -10.969 -13.712 1.00 14.23 C ATOM 481 CD2 TYR A 30 5.823 -9.149 -12.239 1.00 1.03 C ATOM 482 CE1 TYR A 30 5.329 -11.737 -13.061 1.00 4.15 C ATOM 483 CE2 TYR A 30 4.870 -9.912 -11.587 1.00 44.41 C ATOM 484 CZ TYR A 30 4.628 -11.205 -12.002 1.00 11.54 C ATOM 485 OH TYR A 30 3.689 -11.973 -11.347 1.00 40.21 O ATOM 0 H TYR A 30 9.678 -8.318 -15.277 1.00 72.41 H new ATOM 0 HA TYR A 30 7.556 -10.145 -15.700 1.00 34.41 H new ATOM 0 HB2 TYR A 30 8.574 -9.019 -13.544 1.00 71.52 H new ATOM 0 HB3 TYR A 30 7.387 -7.768 -13.857 1.00 71.52 H new ATOM 0 HD1 TYR A 30 6.825 -11.392 -14.542 1.00 14.23 H new ATOM 0 HD2 TYR A 30 6.011 -8.139 -11.907 1.00 1.03 H new ATOM 0 HE1 TYR A 30 5.138 -12.750 -13.383 1.00 4.15 H new ATOM 0 HE2 TYR A 30 4.318 -9.497 -10.757 1.00 44.41 H new ATOM 0 HH TYR A 30 3.285 -11.450 -10.624 1.00 40.21 H new ATOM 495 N LEU A 31 7.062 -7.072 -16.728 1.00 52.43 N ATOM 496 CA LEU A 31 6.249 -6.261 -17.643 1.00 43.54 C ATOM 497 C LEU A 31 6.003 -7.029 -18.952 1.00 4.52 C ATOM 498 O LEU A 31 4.868 -7.135 -19.422 1.00 25.23 O ATOM 499 CB LEU A 31 6.963 -4.916 -17.914 1.00 54.32 C ATOM 500 CG LEU A 31 6.223 -3.875 -18.789 1.00 42.42 C ATOM 501 CD1 LEU A 31 6.311 -4.211 -20.279 1.00 62.33 C ATOM 502 CD2 LEU A 31 4.768 -3.737 -18.352 1.00 34.10 C ATOM 0 H LEU A 31 7.934 -6.626 -16.442 1.00 52.43 H new ATOM 0 HA LEU A 31 5.281 -6.055 -17.186 1.00 43.54 H new ATOM 0 HB2 LEU A 31 7.181 -4.452 -16.952 1.00 54.32 H new ATOM 0 HB3 LEU A 31 7.920 -5.133 -18.388 1.00 54.32 H new ATOM 0 HG LEU A 31 6.723 -2.917 -18.643 1.00 42.42 H new ATOM 0 HD11 LEU A 31 5.778 -3.454 -20.855 1.00 62.33 H new ATOM 0 HD12 LEU A 31 7.357 -4.231 -20.586 1.00 62.33 H new ATOM 0 HD13 LEU A 31 5.861 -5.187 -20.459 1.00 62.33 H new ATOM 0 HD21 LEU A 31 4.268 -3.000 -18.981 1.00 34.10 H new ATOM 0 HD22 LEU A 31 4.266 -4.699 -18.451 1.00 34.10 H new ATOM 0 HD23 LEU A 31 4.730 -3.413 -17.312 1.00 34.10 H new ATOM 514 N GLN A 32 7.075 -7.569 -19.530 1.00 13.22 N ATOM 515 CA GLN A 32 6.974 -8.386 -20.741 1.00 55.30 C ATOM 516 C GLN A 32 6.136 -9.649 -20.477 1.00 64.41 C ATOM 517 O GLN A 32 5.356 -10.079 -21.327 1.00 23.31 O ATOM 518 CB GLN A 32 8.377 -8.758 -21.247 1.00 14.40 C ATOM 519 CG GLN A 32 8.385 -9.486 -22.589 1.00 45.02 C ATOM 520 CD GLN A 32 9.788 -9.665 -23.154 1.00 2.52 C ATOM 521 OE1 GLN A 32 10.680 -8.856 -22.907 1.00 72.42 O ATOM 522 NE2 GLN A 32 9.995 -10.710 -23.930 1.00 13.33 N ATOM 0 H GLN A 32 8.026 -7.456 -19.179 1.00 13.22 H new ATOM 0 HA GLN A 32 6.470 -7.804 -21.513 1.00 55.30 H new ATOM 0 HB2 GLN A 32 8.972 -7.849 -21.336 1.00 14.40 H new ATOM 0 HB3 GLN A 32 8.865 -9.387 -20.502 1.00 14.40 H new ATOM 0 HG2 GLN A 32 7.919 -10.464 -22.470 1.00 45.02 H new ATOM 0 HG3 GLN A 32 7.779 -8.929 -23.303 1.00 45.02 H new ATOM 0 HE21 GLN A 32 9.236 -11.365 -24.117 1.00 13.33 H new ATOM 0 HE22 GLN A 32 10.915 -10.864 -24.343 1.00 13.33 H new ATOM 531 N GLU A 33 6.281 -10.227 -19.283 1.00 63.24 N ATOM 532 CA GLU A 33 5.464 -11.377 -18.877 1.00 14.24 C ATOM 533 C GLU A 33 4.013 -10.951 -18.571 1.00 41.34 C ATOM 534 O GLU A 33 3.131 -11.788 -18.418 1.00 23.31 O ATOM 535 CB GLU A 33 6.096 -12.095 -17.670 1.00 4.03 C ATOM 536 CG GLU A 33 5.336 -13.350 -17.229 1.00 1.32 C ATOM 537 CD GLU A 33 6.163 -14.286 -16.355 1.00 15.32 C ATOM 538 OE1 GLU A 33 6.349 -13.985 -15.161 1.00 61.14 O ATOM 539 OE2 GLU A 33 6.617 -15.334 -16.872 1.00 53.31 O ATOM 0 H GLU A 33 6.954 -9.920 -18.581 1.00 63.24 H new ATOM 0 HA GLU A 33 5.433 -12.078 -19.711 1.00 14.24 H new ATOM 0 HB2 GLU A 33 7.121 -12.371 -17.919 1.00 4.03 H new ATOM 0 HB3 GLU A 33 6.148 -11.400 -16.832 1.00 4.03 H new ATOM 0 HG2 GLU A 33 4.442 -13.050 -16.682 1.00 1.32 H new ATOM 0 HG3 GLU A 33 5.002 -13.892 -18.113 1.00 1.32 H new ATOM 546 N THR A 34 3.773 -9.642 -18.490 1.00 61.22 N ATOM 547 CA THR A 34 2.404 -9.111 -18.377 1.00 41.42 C ATOM 548 C THR A 34 1.779 -8.917 -19.766 1.00 5.21 C ATOM 549 O THR A 34 0.651 -9.340 -20.022 1.00 74.02 O ATOM 550 CB THR A 34 2.367 -7.748 -17.638 1.00 55.01 C ATOM 551 OG1 THR A 34 3.065 -7.835 -16.390 1.00 52.13 O ATOM 552 CG2 THR A 34 0.930 -7.298 -17.383 1.00 70.04 C ATOM 0 H THR A 34 4.502 -8.928 -18.500 1.00 61.22 H new ATOM 0 HA THR A 34 1.837 -9.844 -17.803 1.00 41.42 H new ATOM 0 HB THR A 34 2.856 -7.014 -18.278 1.00 55.01 H new ATOM 0 HG1 THR A 34 2.431 -8.051 -15.675 1.00 52.13 H new ATOM 0 HG21 THR A 34 0.936 -6.340 -16.864 1.00 70.04 H new ATOM 0 HG22 THR A 34 0.408 -7.192 -18.334 1.00 70.04 H new ATOM 0 HG23 THR A 34 0.420 -8.040 -16.769 1.00 70.04 H new ATOM 560 N THR A 35 2.528 -8.268 -20.658 1.00 35.55 N ATOM 561 CA THR A 35 2.060 -7.985 -22.022 1.00 21.32 C ATOM 562 C THR A 35 2.053 -9.252 -22.889 1.00 21.00 C ATOM 563 O THR A 35 1.021 -9.629 -23.446 1.00 33.01 O ATOM 564 CB THR A 35 2.934 -6.905 -22.707 1.00 73.32 C ATOM 565 OG1 THR A 35 4.294 -7.356 -22.820 1.00 13.05 O ATOM 566 CG2 THR A 35 2.900 -5.593 -21.926 1.00 45.41 C ATOM 0 H THR A 35 3.468 -7.925 -20.462 1.00 35.55 H new ATOM 0 HA THR A 35 1.040 -7.612 -21.930 1.00 21.32 H new ATOM 0 HB THR A 35 2.525 -6.732 -23.702 1.00 73.32 H new ATOM 0 HG1 THR A 35 4.833 -6.663 -23.256 1.00 13.05 H new ATOM 0 HG21 THR A 35 3.522 -4.853 -22.430 1.00 45.41 H new ATOM 0 HG22 THR A 35 1.874 -5.228 -21.872 1.00 45.41 H new ATOM 0 HG23 THR A 35 3.279 -5.760 -20.918 1.00 45.41 H new ATOM 574 N LYS A 36 3.212 -9.898 -23.016 1.00 34.43 N ATOM 575 CA LYS A 36 3.307 -11.183 -23.724 1.00 64.21 C ATOM 576 C LYS A 36 2.604 -12.299 -22.931 1.00 42.02 C ATOM 577 O LYS A 36 2.055 -13.236 -23.520 1.00 75.34 O ATOM 578 CB LYS A 36 4.776 -11.559 -23.994 1.00 55.11 C ATOM 579 CG LYS A 36 5.402 -10.922 -25.246 1.00 73.10 C ATOM 580 CD LYS A 36 5.525 -9.394 -25.168 1.00 11.43 C ATOM 581 CE LYS A 36 4.289 -8.677 -25.711 1.00 32.45 C ATOM 582 NZ LYS A 36 4.030 -9.012 -27.137 1.00 42.52 N ATOM 0 H LYS A 36 4.097 -9.558 -22.641 1.00 34.43 H new ATOM 0 HA LYS A 36 2.802 -11.072 -24.684 1.00 64.21 H new ATOM 0 HB2 LYS A 36 5.371 -11.274 -23.126 1.00 55.11 H new ATOM 0 HB3 LYS A 36 4.845 -12.643 -24.086 1.00 55.11 H new ATOM 0 HG2 LYS A 36 6.392 -11.349 -25.403 1.00 73.10 H new ATOM 0 HG3 LYS A 36 4.800 -11.185 -26.116 1.00 73.10 H new ATOM 0 HD2 LYS A 36 5.686 -9.098 -24.131 1.00 11.43 H new ATOM 0 HD3 LYS A 36 6.402 -9.074 -25.730 1.00 11.43 H new ATOM 0 HE2 LYS A 36 3.420 -8.949 -25.112 1.00 32.45 H new ATOM 0 HE3 LYS A 36 4.422 -7.600 -25.610 1.00 32.45 H new ATOM 0 HZ1 LYS A 36 3.524 -8.226 -27.592 1.00 42.52 H new ATOM 0 HZ2 LYS A 36 4.934 -9.171 -27.626 1.00 42.52 H new ATOM 0 HZ3 LYS A 36 3.451 -9.874 -27.191 1.00 42.52 H new ATOM 596 N PHE A 37 2.642 -12.194 -21.596 1.00 54.50 N ATOM 597 CA PHE A 37 1.879 -13.083 -20.710 1.00 41.35 C ATOM 598 C PHE A 37 2.443 -14.517 -20.706 1.00 2.43 C ATOM 599 O PHE A 37 1.913 -15.411 -21.370 1.00 74.31 O ATOM 600 CB PHE A 37 0.384 -13.063 -21.091 1.00 13.34 C ATOM 601 CG PHE A 37 -0.567 -13.398 -19.963 1.00 34.04 C ATOM 602 CD1 PHE A 37 -0.189 -13.236 -18.635 1.00 45.21 C ATOM 603 CD2 PHE A 37 -1.848 -13.860 -20.235 1.00 45.12 C ATOM 604 CE1 PHE A 37 -1.066 -13.532 -17.609 1.00 61.04 C ATOM 605 CE2 PHE A 37 -2.728 -14.155 -19.210 1.00 51.55 C ATOM 606 CZ PHE A 37 -2.336 -13.990 -17.896 1.00 11.11 C ATOM 0 H PHE A 37 3.198 -11.496 -21.103 1.00 54.50 H new ATOM 0 HA PHE A 37 1.979 -12.708 -19.692 1.00 41.35 H new ATOM 0 HB2 PHE A 37 0.135 -12.073 -21.474 1.00 13.34 H new ATOM 0 HB3 PHE A 37 0.222 -13.770 -21.905 1.00 13.34 H new ATOM 0 HD1 PHE A 37 0.802 -12.875 -18.402 1.00 45.21 H new ATOM 0 HD2 PHE A 37 -2.161 -13.991 -21.260 1.00 45.12 H new ATOM 0 HE1 PHE A 37 -0.757 -13.405 -16.582 1.00 61.04 H new ATOM 0 HE2 PHE A 37 -3.721 -14.514 -19.437 1.00 51.55 H new ATOM 0 HZ PHE A 37 -3.022 -14.219 -17.094 1.00 11.11 H new ATOM 616 N VAL A 38 3.536 -14.707 -19.960 1.00 24.41 N ATOM 617 CA VAL A 38 4.187 -16.020 -19.801 1.00 43.33 C ATOM 618 C VAL A 38 4.577 -16.668 -21.148 1.00 4.32 C ATOM 619 O VAL A 38 3.792 -17.417 -21.738 1.00 71.42 O ATOM 620 CB VAL A 38 3.286 -16.993 -18.995 1.00 64.41 C ATOM 621 CG1 VAL A 38 3.944 -18.365 -18.840 1.00 12.54 C ATOM 622 CG2 VAL A 38 2.943 -16.399 -17.630 1.00 24.33 C ATOM 0 H VAL A 38 3.998 -13.956 -19.447 1.00 24.41 H new ATOM 0 HA VAL A 38 5.109 -15.833 -19.250 1.00 43.33 H new ATOM 0 HB VAL A 38 2.361 -17.133 -19.554 1.00 64.41 H new ATOM 0 HG11 VAL A 38 3.286 -19.022 -18.271 1.00 12.54 H new ATOM 0 HG12 VAL A 38 4.123 -18.796 -19.825 1.00 12.54 H new ATOM 0 HG13 VAL A 38 4.892 -18.256 -18.314 1.00 12.54 H new ATOM 0 HG21 VAL A 38 2.311 -17.095 -17.079 1.00 24.33 H new ATOM 0 HG22 VAL A 38 3.861 -16.221 -17.070 1.00 24.33 H new ATOM 0 HG23 VAL A 38 2.412 -15.457 -17.766 1.00 24.33 H new ATOM 632 N THR A 39 5.794 -16.375 -21.633 1.00 1.12 N ATOM 633 CA THR A 39 6.293 -16.968 -22.889 1.00 61.00 C ATOM 634 C THR A 39 7.706 -16.478 -23.280 1.00 31.34 C ATOM 635 O THR A 39 8.052 -15.315 -23.083 1.00 63.04 O ATOM 636 CB THR A 39 5.335 -16.674 -24.076 1.00 75.00 C ATOM 637 OG1 THR A 39 5.835 -17.261 -25.288 1.00 24.55 O ATOM 638 CG2 THR A 39 5.144 -15.172 -24.282 1.00 74.45 C ATOM 0 H THR A 39 6.448 -15.736 -21.180 1.00 1.12 H new ATOM 0 HA THR A 39 6.341 -18.039 -22.693 1.00 61.00 H new ATOM 0 HB THR A 39 4.370 -17.117 -23.830 1.00 75.00 H new ATOM 0 HG1 THR A 39 5.218 -17.067 -26.024 1.00 24.55 H new ATOM 0 HG21 THR A 39 4.468 -15.003 -25.120 1.00 74.45 H new ATOM 0 HG22 THR A 39 4.720 -14.732 -23.379 1.00 74.45 H new ATOM 0 HG23 THR A 39 6.108 -14.708 -24.493 1.00 74.45 H new ATOM 646 N GLU A 40 8.511 -17.406 -23.818 1.00 60.45 N ATOM 647 CA GLU A 40 9.772 -17.101 -24.536 1.00 45.54 C ATOM 648 C GLU A 40 11.032 -16.935 -23.652 1.00 12.51 C ATOM 649 O GLU A 40 11.011 -16.423 -22.521 1.00 50.20 O ATOM 650 CB GLU A 40 9.614 -15.889 -25.474 1.00 72.41 C ATOM 651 CG GLU A 40 8.661 -16.132 -26.645 1.00 11.24 C ATOM 652 CD GLU A 40 9.093 -17.288 -27.543 1.00 21.32 C ATOM 653 OE1 GLU A 40 8.810 -18.458 -27.203 1.00 42.32 O ATOM 654 OE2 GLU A 40 9.711 -17.032 -28.597 1.00 52.33 O ATOM 0 H GLU A 40 8.308 -18.404 -23.770 1.00 60.45 H new ATOM 0 HA GLU A 40 9.954 -18.003 -25.121 1.00 45.54 H new ATOM 0 HB2 GLU A 40 9.253 -15.039 -24.895 1.00 72.41 H new ATOM 0 HB3 GLU A 40 10.593 -15.615 -25.866 1.00 72.41 H new ATOM 0 HG2 GLU A 40 7.663 -16.336 -26.256 1.00 11.24 H new ATOM 0 HG3 GLU A 40 8.591 -15.223 -27.242 1.00 11.24 H new ATOM 661 N ARG A 41 12.150 -17.361 -24.247 1.00 12.01 N ATOM 662 CA ARG A 41 13.478 -17.334 -23.622 1.00 10.30 C ATOM 663 C ARG A 41 13.936 -15.899 -23.331 1.00 34.30 C ATOM 664 O ARG A 41 14.663 -15.649 -22.371 1.00 64.02 O ATOM 665 CB ARG A 41 14.495 -17.976 -24.578 1.00 22.45 C ATOM 666 CG ARG A 41 14.008 -19.254 -25.256 1.00 5.31 C ATOM 667 CD ARG A 41 14.569 -19.368 -26.671 1.00 73.21 C ATOM 668 NE ARG A 41 14.280 -18.165 -27.456 1.00 3.41 N ATOM 669 CZ ARG A 41 14.153 -18.135 -28.751 1.00 62.52 C ATOM 670 NH1 ARG A 41 14.279 -19.216 -29.457 1.00 14.31 N ATOM 671 NH2 ARG A 41 13.890 -17.012 -29.333 1.00 65.02 N ATOM 0 H ARG A 41 12.159 -17.741 -25.193 1.00 12.01 H new ATOM 0 HA ARG A 41 13.417 -17.881 -22.681 1.00 10.30 H new ATOM 0 HB2 ARG A 41 14.760 -17.250 -25.347 1.00 22.45 H new ATOM 0 HB3 ARG A 41 15.406 -18.199 -24.023 1.00 22.45 H new ATOM 0 HG2 ARG A 41 14.312 -20.120 -24.669 1.00 5.31 H new ATOM 0 HG3 ARG A 41 12.919 -19.259 -25.291 1.00 5.31 H new ATOM 0 HD2 ARG A 41 15.647 -19.525 -26.626 1.00 73.21 H new ATOM 0 HD3 ARG A 41 14.140 -20.240 -27.166 1.00 73.21 H new ATOM 0 HE ARG A 41 14.170 -17.286 -26.950 1.00 3.41 H new ATOM 0 HH11 ARG A 41 14.480 -20.104 -28.998 1.00 14.31 H new ATOM 0 HH12 ARG A 41 14.177 -19.178 -30.471 1.00 14.31 H new ATOM 0 HH21 ARG A 41 13.784 -16.163 -28.778 1.00 65.02 H new ATOM 0 HH22 ARG A 41 13.788 -16.975 -30.347 1.00 65.02 H new ATOM 685 N GLU A 42 13.502 -14.967 -24.179 1.00 34.12 N ATOM 686 CA GLU A 42 13.971 -13.574 -24.148 1.00 33.44 C ATOM 687 C GLU A 42 13.912 -12.926 -22.749 1.00 1.41 C ATOM 688 O GLU A 42 14.501 -11.868 -22.534 1.00 42.21 O ATOM 689 CB GLU A 42 13.198 -12.731 -25.176 1.00 22.44 C ATOM 690 CG GLU A 42 13.639 -12.956 -26.629 1.00 11.54 C ATOM 691 CD GLU A 42 13.294 -14.337 -27.188 1.00 34.30 C ATOM 692 OE1 GLU A 42 13.981 -15.324 -26.840 1.00 32.41 O ATOM 693 OE2 GLU A 42 12.352 -14.437 -28.004 1.00 11.54 O ATOM 0 H GLU A 42 12.814 -15.153 -24.909 1.00 34.12 H new ATOM 0 HA GLU A 42 15.028 -13.599 -24.415 1.00 33.44 H new ATOM 0 HB2 GLU A 42 12.135 -12.958 -25.091 1.00 22.44 H new ATOM 0 HB3 GLU A 42 13.319 -11.676 -24.930 1.00 22.44 H new ATOM 0 HG2 GLU A 42 13.175 -12.197 -27.258 1.00 11.54 H new ATOM 0 HG3 GLU A 42 14.717 -12.810 -26.695 1.00 11.54 H new ATOM 700 N TYR A 43 13.200 -13.546 -21.808 1.00 61.20 N ATOM 701 CA TYR A 43 13.298 -13.153 -20.394 1.00 71.20 C ATOM 702 C TYR A 43 13.428 -14.389 -19.476 1.00 2.30 C ATOM 703 O TYR A 43 14.082 -14.338 -18.436 1.00 25.04 O ATOM 704 CB TYR A 43 12.105 -12.271 -19.964 1.00 40.01 C ATOM 705 CG TYR A 43 10.759 -12.977 -19.903 1.00 25.31 C ATOM 706 CD1 TYR A 43 10.425 -13.784 -18.820 1.00 13.54 C ATOM 707 CD2 TYR A 43 9.818 -12.827 -20.917 1.00 35.14 C ATOM 708 CE1 TYR A 43 9.204 -14.419 -18.751 1.00 2.35 C ATOM 709 CE2 TYR A 43 8.593 -13.460 -20.851 1.00 34.34 C ATOM 710 CZ TYR A 43 8.294 -14.257 -19.768 1.00 74.10 C ATOM 711 OH TYR A 43 7.077 -14.888 -19.695 1.00 31.52 O ATOM 0 H TYR A 43 12.555 -14.314 -21.991 1.00 61.20 H new ATOM 0 HA TYR A 43 14.204 -12.557 -20.287 1.00 71.20 H new ATOM 0 HB2 TYR A 43 12.321 -11.852 -18.981 1.00 40.01 H new ATOM 0 HB3 TYR A 43 12.026 -11.434 -20.657 1.00 40.01 H new ATOM 0 HD1 TYR A 43 11.136 -13.915 -18.018 1.00 13.54 H new ATOM 0 HD2 TYR A 43 10.050 -12.205 -21.769 1.00 35.14 H new ATOM 0 HE1 TYR A 43 8.963 -15.041 -17.902 1.00 2.35 H new ATOM 0 HE2 TYR A 43 7.872 -13.331 -21.645 1.00 34.34 H new ATOM 0 HH TYR A 43 6.852 -15.056 -18.756 1.00 31.52 H new ATOM 721 N TYR A 44 12.819 -15.509 -19.879 1.00 74.12 N ATOM 722 CA TYR A 44 12.803 -16.731 -19.053 1.00 3.14 C ATOM 723 C TYR A 44 14.137 -17.517 -19.098 1.00 20.53 C ATOM 724 O TYR A 44 14.405 -18.339 -18.224 1.00 72.23 O ATOM 725 CB TYR A 44 11.603 -17.607 -19.492 1.00 4.01 C ATOM 726 CG TYR A 44 11.874 -19.103 -19.627 1.00 40.34 C ATOM 727 CD1 TYR A 44 11.761 -19.960 -18.535 1.00 4.11 C ATOM 728 CD2 TYR A 44 12.223 -19.657 -20.858 1.00 65.24 C ATOM 729 CE1 TYR A 44 11.990 -21.318 -18.667 1.00 54.51 C ATOM 730 CE2 TYR A 44 12.454 -21.013 -20.993 1.00 21.31 C ATOM 731 CZ TYR A 44 12.337 -21.838 -19.896 1.00 14.32 C ATOM 732 OH TYR A 44 12.563 -23.191 -20.033 1.00 22.35 O ATOM 0 H TYR A 44 12.330 -15.599 -20.770 1.00 74.12 H new ATOM 0 HA TYR A 44 12.686 -16.439 -18.009 1.00 3.14 H new ATOM 0 HB2 TYR A 44 10.796 -17.469 -18.772 1.00 4.01 H new ATOM 0 HB3 TYR A 44 11.241 -17.237 -20.451 1.00 4.01 H new ATOM 0 HD1 TYR A 44 11.490 -19.558 -17.570 1.00 4.11 H new ATOM 0 HD2 TYR A 44 12.314 -19.015 -21.722 1.00 65.24 H new ATOM 0 HE1 TYR A 44 11.897 -21.969 -17.810 1.00 54.51 H new ATOM 0 HE2 TYR A 44 12.725 -21.424 -21.954 1.00 21.31 H new ATOM 0 HH TYR A 44 12.796 -23.391 -20.964 1.00 22.35 H new ATOM 742 N GLU A 45 14.980 -17.238 -20.090 1.00 44.30 N ATOM 743 CA GLU A 45 16.195 -18.042 -20.341 1.00 40.20 C ATOM 744 C GLU A 45 17.415 -17.603 -19.508 1.00 12.33 C ATOM 745 O GLU A 45 18.079 -18.431 -18.879 1.00 23.01 O ATOM 746 CB GLU A 45 16.551 -17.956 -21.832 1.00 3.23 C ATOM 747 CG GLU A 45 17.856 -18.643 -22.238 1.00 33.32 C ATOM 748 CD GLU A 45 17.800 -20.159 -22.139 1.00 11.12 C ATOM 749 OE1 GLU A 45 16.930 -20.775 -22.794 1.00 70.12 O ATOM 750 OE2 GLU A 45 18.639 -20.745 -21.424 1.00 21.30 O ATOM 0 H GLU A 45 14.852 -16.462 -20.739 1.00 44.30 H new ATOM 0 HA GLU A 45 15.962 -19.063 -20.040 1.00 40.20 H new ATOM 0 HB2 GLU A 45 15.736 -18.394 -22.408 1.00 3.23 H new ATOM 0 HB3 GLU A 45 16.611 -16.905 -22.113 1.00 3.23 H new ATOM 0 HG2 GLU A 45 18.101 -18.363 -23.262 1.00 33.32 H new ATOM 0 HG3 GLU A 45 18.663 -18.275 -21.605 1.00 33.32 H new ATOM 757 N ASP A 46 17.707 -16.306 -19.499 1.00 65.23 N ATOM 758 CA ASP A 46 19.023 -15.829 -19.057 1.00 74.42 C ATOM 759 C ASP A 46 18.949 -14.470 -18.341 1.00 31.43 C ATOM 760 O ASP A 46 19.463 -14.308 -17.231 1.00 23.11 O ATOM 761 CB ASP A 46 19.939 -15.731 -20.285 1.00 11.40 C ATOM 762 CG ASP A 46 21.372 -15.381 -19.934 1.00 73.11 C ATOM 763 OD1 ASP A 46 22.111 -16.275 -19.483 1.00 34.12 O ATOM 764 OD2 ASP A 46 21.776 -14.215 -20.131 1.00 31.35 O ATOM 0 H ASP A 46 17.062 -15.570 -19.788 1.00 65.23 H new ATOM 0 HA ASP A 46 19.420 -16.539 -18.332 1.00 74.42 H new ATOM 0 HB2 ASP A 46 19.924 -16.681 -20.818 1.00 11.40 H new ATOM 0 HB3 ASP A 46 19.544 -14.977 -20.966 1.00 11.40 H new ATOM 769 N PHE A 47 18.321 -13.494 -18.988 1.00 21.25 N ATOM 770 CA PHE A 47 18.235 -12.132 -18.449 1.00 63.41 C ATOM 771 C PHE A 47 16.777 -11.682 -18.299 1.00 12.44 C ATOM 772 O PHE A 47 15.932 -12.005 -19.132 1.00 71.12 O ATOM 773 CB PHE A 47 18.992 -11.158 -19.366 1.00 14.31 C ATOM 774 CG PHE A 47 18.420 -11.053 -20.765 1.00 2.31 C ATOM 775 CD1 PHE A 47 18.655 -12.049 -21.706 1.00 30.44 C ATOM 776 CD2 PHE A 47 17.641 -9.963 -21.136 1.00 20.03 C ATOM 777 CE1 PHE A 47 18.130 -11.955 -22.982 1.00 13.13 C ATOM 778 CE2 PHE A 47 17.116 -9.867 -22.410 1.00 5.15 C ATOM 779 CZ PHE A 47 17.360 -10.863 -23.334 1.00 10.44 C ATOM 0 H PHE A 47 17.861 -13.617 -19.890 1.00 21.25 H new ATOM 0 HA PHE A 47 18.692 -12.131 -17.459 1.00 63.41 H new ATOM 0 HB2 PHE A 47 18.989 -10.169 -18.909 1.00 14.31 H new ATOM 0 HB3 PHE A 47 20.033 -11.474 -19.434 1.00 14.31 H new ATOM 0 HD1 PHE A 47 19.255 -12.906 -21.437 1.00 30.44 H new ATOM 0 HD2 PHE A 47 17.444 -9.181 -20.418 1.00 20.03 H new ATOM 0 HE1 PHE A 47 18.322 -12.735 -23.704 1.00 13.13 H new ATOM 0 HE2 PHE A 47 16.515 -9.013 -22.683 1.00 5.15 H new ATOM 0 HZ PHE A 47 16.950 -10.789 -24.330 1.00 10.44 H new ATOM 789 N GLY A 48 16.493 -10.933 -17.238 1.00 51.01 N ATOM 790 CA GLY A 48 15.147 -10.418 -17.026 1.00 51.34 C ATOM 791 C GLY A 48 14.354 -11.223 -16.003 1.00 14.12 C ATOM 792 O GLY A 48 13.610 -12.136 -16.363 1.00 71.43 O ATOM 0 H GLY A 48 17.169 -10.672 -16.520 1.00 51.01 H new ATOM 0 HA2 GLY A 48 15.209 -9.381 -16.695 1.00 51.34 H new ATOM 0 HA3 GLY A 48 14.611 -10.418 -17.975 1.00 51.34 H new ATOM 1115 N PRO A 71 0.944 -16.623 -3.372 1.00 10.14 N ATOM 1116 CA PRO A 71 1.148 -18.048 -3.656 1.00 23.44 C ATOM 1117 C PRO A 71 -0.135 -18.885 -3.470 1.00 50.53 C ATOM 1118 O PRO A 71 -0.318 -19.917 -4.118 1.00 14.20 O ATOM 1119 CB PRO A 71 2.207 -18.437 -2.618 1.00 70.31 C ATOM 1120 CG PRO A 71 1.916 -17.562 -1.437 1.00 2.42 C ATOM 1121 CD PRO A 71 1.330 -16.278 -1.985 1.00 74.34 C ATOM 0 HA PRO A 71 1.440 -18.231 -4.690 1.00 23.44 H new ATOM 0 HB2 PRO A 71 2.137 -19.493 -2.356 1.00 70.31 H new ATOM 0 HB3 PRO A 71 3.215 -18.269 -2.997 1.00 70.31 H new ATOM 0 HG2 PRO A 71 1.216 -18.048 -0.757 1.00 2.42 H new ATOM 0 HG3 PRO A 71 2.825 -17.362 -0.869 1.00 2.42 H new ATOM 0 HD2 PRO A 71 0.470 -15.951 -1.401 1.00 74.34 H new ATOM 0 HD3 PRO A 71 2.057 -15.466 -1.963 1.00 74.34 H new ATOM 1129 N LYS A 72 -1.022 -18.430 -2.580 1.00 63.11 N ATOM 1130 CA LYS A 72 -2.233 -19.185 -2.225 1.00 25.22 C ATOM 1131 C LYS A 72 -3.523 -18.582 -2.821 1.00 21.42 C ATOM 1132 O LYS A 72 -4.616 -19.091 -2.571 1.00 11.24 O ATOM 1133 CB LYS A 72 -2.367 -19.269 -0.694 1.00 52.44 C ATOM 1134 CG LYS A 72 -2.569 -17.919 0.002 1.00 1.52 C ATOM 1135 CD LYS A 72 -2.785 -18.091 1.510 1.00 10.24 C ATOM 1136 CE LYS A 72 -3.072 -16.765 2.218 1.00 21.13 C ATOM 1137 NZ LYS A 72 -1.908 -15.837 2.184 1.00 2.34 N ATOM 0 H LYS A 72 -0.926 -17.541 -2.090 1.00 63.11 H new ATOM 0 HA LYS A 72 -2.117 -20.180 -2.655 1.00 25.22 H new ATOM 0 HB2 LYS A 72 -3.208 -19.918 -0.451 1.00 52.44 H new ATOM 0 HB3 LYS A 72 -1.472 -19.742 -0.289 1.00 52.44 H new ATOM 0 HG2 LYS A 72 -1.700 -17.285 -0.172 1.00 1.52 H new ATOM 0 HG3 LYS A 72 -3.428 -17.409 -0.434 1.00 1.52 H new ATOM 0 HD2 LYS A 72 -3.616 -18.776 1.679 1.00 10.24 H new ATOM 0 HD3 LYS A 72 -1.900 -18.550 1.950 1.00 10.24 H new ATOM 0 HE2 LYS A 72 -3.930 -16.284 1.748 1.00 21.13 H new ATOM 0 HE3 LYS A 72 -3.345 -16.962 3.255 1.00 21.13 H new ATOM 0 HZ1 LYS A 72 -2.153 -14.954 2.676 1.00 2.34 H new ATOM 0 HZ2 LYS A 72 -1.095 -16.282 2.656 1.00 2.34 H new ATOM 0 HZ3 LYS A 72 -1.662 -15.625 1.196 1.00 2.34 H new ATOM 1151 N LEU A 73 -3.409 -17.509 -3.606 1.00 11.11 N ATOM 1152 CA LEU A 73 -4.601 -16.787 -4.091 1.00 22.21 C ATOM 1153 C LEU A 73 -4.882 -17.001 -5.590 1.00 12.22 C ATOM 1154 O LEU A 73 -6.015 -17.299 -5.972 1.00 72.40 O ATOM 1155 CB LEU A 73 -4.465 -15.283 -3.813 1.00 52.35 C ATOM 1156 CG LEU A 73 -4.300 -14.888 -2.335 1.00 51.05 C ATOM 1157 CD1 LEU A 73 -4.227 -13.371 -2.191 1.00 3.21 C ATOM 1158 CD2 LEU A 73 -5.438 -15.456 -1.485 1.00 74.54 C ATOM 0 H LEU A 73 -2.520 -17.120 -3.919 1.00 11.11 H new ATOM 0 HA LEU A 73 -5.446 -17.203 -3.542 1.00 22.21 H new ATOM 0 HB2 LEU A 73 -3.606 -14.906 -4.368 1.00 52.35 H new ATOM 0 HB3 LEU A 73 -5.347 -14.778 -4.208 1.00 52.35 H new ATOM 0 HG LEU A 73 -3.364 -15.315 -1.973 1.00 51.05 H new ATOM 0 HD11 LEU A 73 -4.110 -13.111 -1.139 1.00 3.21 H new ATOM 0 HD12 LEU A 73 -3.375 -12.993 -2.755 1.00 3.21 H new ATOM 0 HD13 LEU A 73 -5.144 -12.924 -2.576 1.00 3.21 H new ATOM 0 HD21 LEU A 73 -5.297 -15.162 -0.445 1.00 74.54 H new ATOM 0 HD22 LEU A 73 -6.390 -15.068 -1.846 1.00 74.54 H new ATOM 0 HD23 LEU A 73 -5.439 -16.544 -1.558 1.00 74.54 H new ATOM 1170 N LEU A 74 -3.864 -16.818 -6.436 1.00 24.24 N ATOM 1171 CA LEU A 74 -4.048 -16.840 -7.900 1.00 31.23 C ATOM 1172 C LEU A 74 -4.763 -18.111 -8.415 1.00 54.13 C ATOM 1173 O LEU A 74 -4.643 -19.193 -7.831 1.00 21.34 O ATOM 1174 CB LEU A 74 -2.691 -16.642 -8.612 1.00 62.10 C ATOM 1175 CG LEU A 74 -1.535 -17.570 -8.170 1.00 72.40 C ATOM 1176 CD1 LEU A 74 -1.699 -18.981 -8.733 1.00 21.23 C ATOM 1177 CD2 LEU A 74 -0.184 -16.980 -8.580 1.00 25.53 C ATOM 0 H LEU A 74 -2.903 -16.653 -6.138 1.00 24.24 H new ATOM 0 HA LEU A 74 -4.710 -16.009 -8.143 1.00 31.23 H new ATOM 0 HB2 LEU A 74 -2.845 -16.776 -9.683 1.00 62.10 H new ATOM 0 HB3 LEU A 74 -2.375 -15.610 -8.462 1.00 62.10 H new ATOM 0 HG LEU A 74 -1.568 -17.643 -7.083 1.00 72.40 H new ATOM 0 HD11 LEU A 74 -0.868 -19.604 -8.401 1.00 21.23 H new ATOM 0 HD12 LEU A 74 -2.637 -19.408 -8.378 1.00 21.23 H new ATOM 0 HD13 LEU A 74 -1.709 -18.939 -9.822 1.00 21.23 H new ATOM 0 HD21 LEU A 74 0.616 -17.647 -8.260 1.00 25.53 H new ATOM 0 HD22 LEU A 74 -0.150 -16.866 -9.664 1.00 25.53 H new ATOM 0 HD23 LEU A 74 -0.054 -16.006 -8.109 1.00 25.53 H new ATOM 1189 N PRO A 75 -5.549 -17.976 -9.509 1.00 3.33 N ATOM 1190 CA PRO A 75 -6.209 -19.119 -10.170 1.00 3.45 C ATOM 1191 C PRO A 75 -5.193 -20.069 -10.827 1.00 13.03 C ATOM 1192 O PRO A 75 -4.040 -19.694 -11.051 1.00 42.35 O ATOM 1193 CB PRO A 75 -7.106 -18.459 -11.237 1.00 72.25 C ATOM 1194 CG PRO A 75 -7.174 -17.014 -10.862 1.00 13.44 C ATOM 1195 CD PRO A 75 -5.873 -16.704 -10.178 1.00 52.55 C ATOM 0 HA PRO A 75 -6.764 -19.735 -9.462 1.00 3.45 H new ATOM 0 HB2 PRO A 75 -6.687 -18.586 -12.235 1.00 72.25 H new ATOM 0 HB3 PRO A 75 -8.099 -18.909 -11.248 1.00 72.25 H new ATOM 0 HG2 PRO A 75 -7.311 -16.388 -11.744 1.00 13.44 H new ATOM 0 HG3 PRO A 75 -8.019 -16.822 -10.200 1.00 13.44 H new ATOM 0 HD2 PRO A 75 -5.101 -16.412 -10.890 1.00 52.55 H new ATOM 0 HD3 PRO A 75 -5.975 -15.886 -9.465 1.00 52.55 H new ATOM 1203 N TYR A 76 -5.614 -21.290 -11.156 1.00 40.22 N ATOM 1204 CA TYR A 76 -4.676 -22.291 -11.674 1.00 30.13 C ATOM 1205 C TYR A 76 -4.661 -22.359 -13.216 1.00 14.45 C ATOM 1206 O TYR A 76 -5.514 -22.983 -13.849 1.00 60.50 O ATOM 1207 CB TYR A 76 -4.949 -23.679 -11.056 1.00 2.41 C ATOM 1208 CG TYR A 76 -6.367 -24.208 -11.222 1.00 20.20 C ATOM 1209 CD1 TYR A 76 -7.370 -23.874 -10.314 1.00 42.35 C ATOM 1210 CD2 TYR A 76 -6.696 -25.060 -12.273 1.00 3.35 C ATOM 1211 CE1 TYR A 76 -8.652 -24.368 -10.455 1.00 24.01 C ATOM 1212 CE2 TYR A 76 -7.974 -25.557 -12.417 1.00 12.00 C ATOM 1213 CZ TYR A 76 -8.948 -25.208 -11.506 1.00 23.13 C ATOM 1214 OH TYR A 76 -10.222 -25.710 -11.645 1.00 41.33 O ATOM 0 H TYR A 76 -6.580 -21.608 -11.076 1.00 40.22 H new ATOM 0 HA TYR A 76 -3.680 -21.969 -11.371 1.00 30.13 H new ATOM 0 HB2 TYR A 76 -4.259 -24.396 -11.500 1.00 2.41 H new ATOM 0 HB3 TYR A 76 -4.720 -23.634 -9.991 1.00 2.41 H new ATOM 0 HD1 TYR A 76 -7.141 -23.218 -9.487 1.00 42.35 H new ATOM 0 HD2 TYR A 76 -5.936 -25.337 -12.989 1.00 3.35 H new ATOM 0 HE1 TYR A 76 -9.419 -24.097 -9.745 1.00 24.01 H new ATOM 0 HE2 TYR A 76 -8.211 -26.216 -13.239 1.00 12.00 H new ATOM 0 HH TYR A 76 -10.263 -26.284 -12.438 1.00 41.33 H new ATOM 1224 N ASP A 77 -3.689 -21.675 -13.809 1.00 22.03 N ATOM 1225 CA ASP A 77 -3.339 -21.855 -15.218 1.00 22.11 C ATOM 1226 C ASP A 77 -1.901 -22.385 -15.283 1.00 54.24 C ATOM 1227 O ASP A 77 -0.955 -21.606 -15.255 1.00 53.25 O ATOM 1228 CB ASP A 77 -3.457 -20.528 -15.982 1.00 41.43 C ATOM 1229 CG ASP A 77 -4.844 -19.914 -15.886 1.00 2.13 C ATOM 1230 OD1 ASP A 77 -5.710 -20.246 -16.726 1.00 65.34 O ATOM 1231 OD2 ASP A 77 -5.079 -19.090 -14.975 1.00 21.22 O ATOM 0 H ASP A 77 -3.119 -20.979 -13.328 1.00 22.03 H new ATOM 0 HA ASP A 77 -4.024 -22.563 -15.685 1.00 22.11 H new ATOM 0 HB2 ASP A 77 -2.724 -19.822 -15.590 1.00 41.43 H new ATOM 0 HB3 ASP A 77 -3.210 -20.695 -17.031 1.00 41.43 H new ATOM 1236 N LYS A 78 -1.757 -23.710 -15.368 1.00 3.54 N ATOM 1237 CA LYS A 78 -0.487 -24.404 -15.064 1.00 52.22 C ATOM 1238 C LYS A 78 0.776 -23.614 -15.457 1.00 74.33 C ATOM 1239 O LYS A 78 1.526 -23.173 -14.584 1.00 32.22 O ATOM 1240 CB LYS A 78 -0.456 -25.798 -15.706 1.00 53.20 C ATOM 1241 CG LYS A 78 -1.574 -26.720 -15.217 1.00 41.41 C ATOM 1242 CD LYS A 78 -1.307 -28.186 -15.553 1.00 45.34 C ATOM 1243 CE LYS A 78 -0.092 -28.726 -14.798 1.00 35.14 C ATOM 1244 NZ LYS A 78 -0.245 -28.588 -13.322 1.00 21.32 N ATOM 0 H LYS A 78 -2.511 -24.337 -15.648 1.00 3.54 H new ATOM 0 HA LYS A 78 -0.464 -24.495 -13.978 1.00 52.22 H new ATOM 0 HB2 LYS A 78 -0.530 -25.693 -16.788 1.00 53.20 H new ATOM 0 HB3 LYS A 78 0.507 -26.264 -15.496 1.00 53.20 H new ATOM 0 HG2 LYS A 78 -1.685 -26.612 -14.138 1.00 41.41 H new ATOM 0 HG3 LYS A 78 -2.518 -26.413 -15.667 1.00 41.41 H new ATOM 0 HD2 LYS A 78 -2.185 -28.782 -15.304 1.00 45.34 H new ATOM 0 HD3 LYS A 78 -1.145 -28.290 -16.626 1.00 45.34 H new ATOM 0 HE2 LYS A 78 0.054 -29.776 -15.051 1.00 35.14 H new ATOM 0 HE3 LYS A 78 0.802 -28.193 -15.121 1.00 35.14 H new ATOM 0 HZ1 LYS A 78 0.462 -29.181 -12.843 1.00 21.32 H new ATOM 0 HZ2 LYS A 78 -0.105 -27.594 -13.050 1.00 21.32 H new ATOM 0 HZ3 LYS A 78 -1.199 -28.892 -13.042 1.00 21.32 H new ATOM 1258 N ARG A 79 1.011 -23.423 -16.756 1.00 42.53 N ATOM 1259 CA ARG A 79 2.236 -22.743 -17.210 1.00 74.34 C ATOM 1260 C ARG A 79 2.281 -21.261 -16.777 1.00 14.01 C ATOM 1261 O ARG A 79 3.359 -20.718 -16.508 1.00 63.03 O ATOM 1262 CB ARG A 79 2.413 -22.882 -18.733 1.00 13.52 C ATOM 1263 CG ARG A 79 1.252 -22.358 -19.571 1.00 42.24 C ATOM 1264 CD ARG A 79 1.496 -22.593 -21.058 1.00 12.43 C ATOM 1265 NE ARG A 79 0.388 -22.127 -21.890 1.00 71.12 N ATOM 1266 CZ ARG A 79 0.457 -22.007 -23.191 1.00 11.23 C ATOM 1267 NH1 ARG A 79 1.555 -22.288 -23.821 1.00 64.23 N ATOM 1268 NH2 ARG A 79 -0.571 -21.601 -23.865 1.00 21.22 N ATOM 0 H ARG A 79 0.385 -23.721 -17.504 1.00 42.53 H new ATOM 0 HA ARG A 79 3.074 -23.240 -16.722 1.00 74.34 H new ATOM 0 HB2 ARG A 79 3.320 -22.354 -19.027 1.00 13.52 H new ATOM 0 HB3 ARG A 79 2.566 -23.935 -18.971 1.00 13.52 H new ATOM 0 HG2 ARG A 79 0.329 -22.853 -19.268 1.00 42.24 H new ATOM 0 HG3 ARG A 79 1.118 -21.292 -19.386 1.00 42.24 H new ATOM 0 HD2 ARG A 79 2.411 -22.081 -21.358 1.00 12.43 H new ATOM 0 HD3 ARG A 79 1.654 -23.657 -21.233 1.00 12.43 H new ATOM 0 HE ARG A 79 -0.489 -21.881 -21.430 1.00 71.12 H new ATOM 0 HH11 ARG A 79 2.374 -22.605 -23.302 1.00 64.23 H new ATOM 0 HH12 ARG A 79 1.600 -22.192 -24.835 1.00 64.23 H new ATOM 0 HH21 ARG A 79 -1.440 -21.373 -23.382 1.00 21.22 H new ATOM 0 HH22 ARG A 79 -0.512 -21.509 -24.879 1.00 21.22 H new ATOM 1282 N LEU A 80 1.117 -20.619 -16.683 1.00 23.14 N ATOM 1283 CA LEU A 80 1.039 -19.219 -16.234 1.00 53.41 C ATOM 1284 C LEU A 80 1.327 -19.111 -14.730 1.00 13.30 C ATOM 1285 O LEU A 80 2.299 -18.476 -14.315 1.00 61.45 O ATOM 1286 CB LEU A 80 -0.342 -18.606 -16.535 1.00 62.41 C ATOM 1287 CG LEU A 80 -0.673 -18.362 -18.019 1.00 63.35 C ATOM 1288 CD1 LEU A 80 -0.852 -19.676 -18.770 1.00 44.04 C ATOM 1289 CD2 LEU A 80 -1.925 -17.496 -18.144 1.00 3.04 C ATOM 0 H LEU A 80 0.216 -21.039 -16.909 1.00 23.14 H new ATOM 0 HA LEU A 80 1.796 -18.662 -16.787 1.00 53.41 H new ATOM 0 HB2 LEU A 80 -1.106 -19.262 -16.118 1.00 62.41 H new ATOM 0 HB3 LEU A 80 -0.416 -17.655 -16.007 1.00 62.41 H new ATOM 0 HG LEU A 80 0.167 -17.834 -18.471 1.00 63.35 H new ATOM 0 HD11 LEU A 80 -1.085 -19.469 -19.815 1.00 44.04 H new ATOM 0 HD12 LEU A 80 0.068 -20.257 -18.711 1.00 44.04 H new ATOM 0 HD13 LEU A 80 -1.668 -20.243 -18.322 1.00 44.04 H new ATOM 0 HD21 LEU A 80 -2.149 -17.330 -19.198 1.00 3.04 H new ATOM 0 HD22 LEU A 80 -2.766 -18.002 -17.669 1.00 3.04 H new ATOM 0 HD23 LEU A 80 -1.755 -16.537 -17.654 1.00 3.04 H new ATOM 1301 N ALA A 81 0.470 -19.738 -13.927 1.00 13.04 N ATOM 1302 CA ALA A 81 0.641 -19.786 -12.473 1.00 60.54 C ATOM 1303 C ALA A 81 2.053 -20.248 -12.085 1.00 11.55 C ATOM 1304 O ALA A 81 2.625 -19.765 -11.106 1.00 53.44 O ATOM 1305 CB ALA A 81 -0.405 -20.707 -11.858 1.00 42.43 C ATOM 0 H ALA A 81 -0.360 -20.226 -14.262 1.00 13.04 H new ATOM 0 HA ALA A 81 0.507 -18.777 -12.084 1.00 60.54 H new ATOM 0 HB1 ALA A 81 -0.272 -20.738 -10.777 1.00 42.43 H new ATOM 0 HB2 ALA A 81 -1.402 -20.332 -12.090 1.00 42.43 H new ATOM 0 HB3 ALA A 81 -0.291 -21.711 -12.266 1.00 42.43 H new ATOM 1311 N TRP A 82 2.607 -21.185 -12.859 1.00 44.54 N ATOM 1312 CA TRP A 82 3.981 -21.647 -12.644 1.00 12.53 C ATOM 1313 C TRP A 82 4.973 -20.482 -12.721 1.00 31.21 C ATOM 1314 O TRP A 82 5.655 -20.184 -11.748 1.00 2.20 O ATOM 1315 CB TRP A 82 4.372 -22.718 -13.673 1.00 0.32 C ATOM 1316 CG TRP A 82 5.739 -23.297 -13.429 1.00 72.23 C ATOM 1317 CD1 TRP A 82 6.939 -22.796 -13.855 1.00 72.22 C ATOM 1318 CD2 TRP A 82 6.042 -24.488 -12.695 1.00 11.33 C ATOM 1319 NE1 TRP A 82 7.966 -23.597 -13.421 1.00 45.12 N ATOM 1320 CE2 TRP A 82 7.441 -24.646 -12.711 1.00 61.00 C ATOM 1321 CE3 TRP A 82 5.263 -25.436 -12.026 1.00 20.22 C ATOM 1322 CZ2 TRP A 82 8.074 -25.713 -12.078 1.00 11.05 C ATOM 1323 CZ3 TRP A 82 5.893 -26.495 -11.401 1.00 2.44 C ATOM 1324 CH2 TRP A 82 7.287 -26.626 -11.431 1.00 61.33 C ATOM 0 H TRP A 82 2.127 -21.637 -13.637 1.00 44.54 H new ATOM 0 HA TRP A 82 4.022 -22.083 -11.646 1.00 12.53 H new ATOM 0 HB2 TRP A 82 3.635 -23.520 -13.652 1.00 0.32 H new ATOM 0 HB3 TRP A 82 4.341 -22.283 -14.672 1.00 0.32 H new ATOM 0 HD1 TRP A 82 7.061 -21.901 -14.447 1.00 72.22 H new ATOM 0 HE1 TRP A 82 8.958 -23.438 -13.598 1.00 45.12 H new ATOM 0 HE3 TRP A 82 4.187 -25.342 -11.998 1.00 20.22 H new ATOM 0 HZ2 TRP A 82 9.149 -25.816 -12.097 1.00 11.05 H new ATOM 0 HZ3 TRP A 82 5.301 -27.234 -10.881 1.00 2.44 H new ATOM 0 HH2 TRP A 82 7.750 -27.465 -10.933 1.00 61.33 H new ATOM 1335 N HIS A 83 5.035 -19.817 -13.878 1.00 4.31 N ATOM 1336 CA HIS A 83 6.001 -18.728 -14.089 1.00 30.10 C ATOM 1337 C HIS A 83 5.802 -17.572 -13.098 1.00 22.32 C ATOM 1338 O HIS A 83 6.772 -17.052 -12.554 1.00 31.20 O ATOM 1339 CB HIS A 83 5.958 -18.231 -15.537 1.00 14.34 C ATOM 1340 CG HIS A 83 6.671 -19.152 -16.478 1.00 21.44 C ATOM 1341 ND1 HIS A 83 6.049 -20.190 -17.129 1.00 44.42 N ATOM 1342 CD2 HIS A 83 7.971 -19.205 -16.855 1.00 0.01 C ATOM 1343 CE1 HIS A 83 6.929 -20.844 -17.857 1.00 3.25 C ATOM 1344 NE2 HIS A 83 8.107 -20.271 -17.711 1.00 34.02 N ATOM 0 H HIS A 83 4.434 -20.009 -14.679 1.00 4.31 H new ATOM 0 HA HIS A 83 6.993 -19.138 -13.898 1.00 30.10 H new ATOM 0 HB2 HIS A 83 4.920 -18.127 -15.852 1.00 14.34 H new ATOM 0 HB3 HIS A 83 6.409 -17.240 -15.592 1.00 14.34 H new ATOM 0 HD1 HIS A 83 5.057 -20.419 -17.059 1.00 44.42 H new ATOM 0 HD2 HIS A 83 8.756 -18.533 -16.541 1.00 0.01 H new ATOM 0 HE1 HIS A 83 6.721 -21.707 -18.472 1.00 3.25 H new ATOM 1353 N PHE A 84 4.555 -17.187 -12.843 1.00 52.24 N ATOM 1354 CA PHE A 84 4.267 -16.183 -11.809 1.00 34.03 C ATOM 1355 C PHE A 84 4.875 -16.602 -10.455 1.00 11.42 C ATOM 1356 O PHE A 84 5.570 -15.819 -9.797 1.00 71.33 O ATOM 1357 CB PHE A 84 2.751 -15.968 -11.678 1.00 22.33 C ATOM 1358 CG PHE A 84 2.153 -15.065 -12.736 1.00 33.02 C ATOM 1359 CD1 PHE A 84 2.672 -15.013 -14.028 1.00 74.55 C ATOM 1360 CD2 PHE A 84 1.056 -14.270 -12.434 1.00 75.33 C ATOM 1361 CE1 PHE A 84 2.111 -14.185 -14.981 1.00 21.13 C ATOM 1362 CE2 PHE A 84 0.496 -13.442 -13.386 1.00 10.50 C ATOM 1363 CZ PHE A 84 1.022 -13.400 -14.661 1.00 41.13 C ATOM 0 H PHE A 84 3.733 -17.546 -13.328 1.00 52.24 H new ATOM 0 HA PHE A 84 4.725 -15.241 -12.109 1.00 34.03 H new ATOM 0 HB2 PHE A 84 2.254 -16.937 -11.722 1.00 22.33 H new ATOM 0 HB3 PHE A 84 2.540 -15.545 -10.696 1.00 22.33 H new ATOM 0 HD1 PHE A 84 3.522 -15.627 -14.287 1.00 74.55 H new ATOM 0 HD2 PHE A 84 0.635 -14.300 -11.440 1.00 75.33 H new ATOM 0 HE1 PHE A 84 2.525 -14.152 -15.978 1.00 21.13 H new ATOM 0 HE2 PHE A 84 -0.355 -12.827 -13.133 1.00 10.50 H new ATOM 0 HZ PHE A 84 0.582 -12.754 -15.407 1.00 41.13 H new ATOM 1373 N LYS A 85 4.634 -17.851 -10.053 1.00 32.33 N ATOM 1374 CA LYS A 85 5.227 -18.394 -8.823 1.00 62.23 C ATOM 1375 C LYS A 85 6.728 -18.690 -8.999 1.00 40.20 C ATOM 1376 O LYS A 85 7.457 -18.830 -8.024 1.00 13.03 O ATOM 1377 CB LYS A 85 4.500 -19.673 -8.377 1.00 74.41 C ATOM 1378 CG LYS A 85 3.057 -19.447 -7.934 1.00 5.21 C ATOM 1379 CD LYS A 85 2.440 -20.724 -7.362 1.00 64.24 C ATOM 1380 CE LYS A 85 1.012 -20.497 -6.879 1.00 1.14 C ATOM 1381 NZ LYS A 85 0.460 -21.692 -6.187 1.00 63.10 N ATOM 0 H LYS A 85 4.035 -18.506 -10.557 1.00 32.33 H new ATOM 0 HA LYS A 85 5.113 -17.631 -8.053 1.00 62.23 H new ATOM 0 HB2 LYS A 85 4.509 -20.388 -9.199 1.00 74.41 H new ATOM 0 HB3 LYS A 85 5.055 -20.125 -7.555 1.00 74.41 H new ATOM 0 HG2 LYS A 85 3.025 -18.658 -7.183 1.00 5.21 H new ATOM 0 HG3 LYS A 85 2.464 -19.104 -8.782 1.00 5.21 H new ATOM 0 HD2 LYS A 85 2.446 -21.503 -8.124 1.00 64.24 H new ATOM 0 HD3 LYS A 85 3.051 -21.083 -6.534 1.00 64.24 H new ATOM 0 HE2 LYS A 85 0.990 -19.644 -6.201 1.00 1.14 H new ATOM 0 HE3 LYS A 85 0.378 -20.245 -7.729 1.00 1.14 H new ATOM 0 HZ1 LYS A 85 -0.267 -22.134 -6.785 1.00 63.10 H new ATOM 0 HZ2 LYS A 85 1.224 -22.375 -6.010 1.00 63.10 H new ATOM 0 HZ3 LYS A 85 0.036 -21.404 -5.282 1.00 63.10 H new ATOM 1395 N GLU A 86 7.182 -18.787 -10.238 1.00 4.33 N ATOM 1396 CA GLU A 86 8.593 -19.056 -10.527 1.00 71.45 C ATOM 1397 C GLU A 86 9.450 -17.800 -10.318 1.00 15.35 C ATOM 1398 O GLU A 86 10.410 -17.816 -9.553 1.00 53.22 O ATOM 1399 CB GLU A 86 8.740 -19.598 -11.957 1.00 53.23 C ATOM 1400 CG GLU A 86 10.179 -19.848 -12.390 1.00 25.32 C ATOM 1401 CD GLU A 86 10.286 -20.772 -13.596 1.00 21.43 C ATOM 1402 OE1 GLU A 86 9.940 -20.349 -14.715 1.00 34.31 O ATOM 1403 OE2 GLU A 86 10.731 -21.927 -13.421 1.00 73.44 O ATOM 0 H GLU A 86 6.596 -18.684 -11.067 1.00 4.33 H new ATOM 0 HA GLU A 86 8.953 -19.813 -9.830 1.00 71.45 H new ATOM 0 HB2 GLU A 86 8.182 -20.531 -12.038 1.00 53.23 H new ATOM 0 HB3 GLU A 86 8.283 -18.891 -12.649 1.00 53.23 H new ATOM 0 HG2 GLU A 86 10.652 -18.895 -12.626 1.00 25.32 H new ATOM 0 HG3 GLU A 86 10.733 -20.281 -11.557 1.00 25.32 H new ATOM 1410 N PHE A 87 9.088 -16.710 -10.980 1.00 13.53 N ATOM 1411 CA PHE A 87 9.815 -15.446 -10.842 1.00 3.35 C ATOM 1412 C PHE A 87 9.612 -14.812 -9.454 1.00 73.21 C ATOM 1413 O PHE A 87 10.478 -14.084 -8.965 1.00 75.12 O ATOM 1414 CB PHE A 87 9.391 -14.468 -11.947 1.00 54.43 C ATOM 1415 CG PHE A 87 9.864 -14.875 -13.325 1.00 41.34 C ATOM 1416 CD1 PHE A 87 9.222 -15.886 -14.029 1.00 22.44 C ATOM 1417 CD2 PHE A 87 10.959 -14.252 -13.910 1.00 15.14 C ATOM 1418 CE1 PHE A 87 9.662 -16.267 -15.282 1.00 21.44 C ATOM 1419 CE2 PHE A 87 11.403 -14.632 -15.164 1.00 12.04 C ATOM 1420 CZ PHE A 87 10.754 -15.639 -15.851 1.00 45.35 C ATOM 0 H PHE A 87 8.295 -16.671 -11.620 1.00 13.53 H new ATOM 0 HA PHE A 87 10.878 -15.664 -10.945 1.00 3.35 H new ATOM 0 HB2 PHE A 87 8.304 -14.388 -11.953 1.00 54.43 H new ATOM 0 HB3 PHE A 87 9.782 -13.477 -11.715 1.00 54.43 H new ATOM 0 HD1 PHE A 87 8.368 -16.381 -13.591 1.00 22.44 H new ATOM 0 HD2 PHE A 87 11.470 -13.462 -13.380 1.00 15.14 H new ATOM 0 HE1 PHE A 87 9.153 -17.055 -15.817 1.00 21.44 H new ATOM 0 HE2 PHE A 87 12.257 -14.141 -15.606 1.00 12.04 H new ATOM 0 HZ PHE A 87 11.099 -15.935 -16.831 1.00 45.35 H new ATOM 1430 N CYS A 88 8.467 -15.084 -8.822 1.00 53.40 N ATOM 1431 CA CYS A 88 8.173 -14.526 -7.491 1.00 1.34 C ATOM 1432 C CYS A 88 8.504 -15.500 -6.341 1.00 10.53 C ATOM 1433 O CYS A 88 9.251 -15.157 -5.424 1.00 13.12 O ATOM 1434 CB CYS A 88 6.698 -14.113 -7.401 1.00 21.03 C ATOM 1435 SG CYS A 88 6.216 -12.812 -8.564 1.00 31.12 S ATOM 0 H CYS A 88 7.732 -15.681 -9.202 1.00 53.40 H new ATOM 0 HA CYS A 88 8.817 -13.654 -7.374 1.00 1.34 H new ATOM 0 HB2 CYS A 88 6.076 -14.990 -7.577 1.00 21.03 H new ATOM 0 HB3 CYS A 88 6.489 -13.773 -6.387 1.00 21.03 H new ATOM 0 HG CYS A 88 4.955 -12.538 -8.410 1.00 31.12 H new ATOM 1441 N TYR A 89 7.952 -16.715 -6.392 1.00 74.03 N ATOM 1442 CA TYR A 89 8.016 -17.649 -5.252 1.00 12.13 C ATOM 1443 C TYR A 89 9.231 -18.604 -5.303 1.00 11.42 C ATOM 1444 O TYR A 89 9.721 -19.024 -4.252 1.00 12.42 O ATOM 1445 CB TYR A 89 6.708 -18.456 -5.165 1.00 72.13 C ATOM 1446 CG TYR A 89 6.659 -19.453 -4.016 1.00 53.05 C ATOM 1447 CD1 TYR A 89 6.412 -19.034 -2.711 1.00 55.22 C ATOM 1448 CD2 TYR A 89 6.852 -20.815 -4.238 1.00 43.22 C ATOM 1449 CE1 TYR A 89 6.362 -19.940 -1.666 1.00 73.45 C ATOM 1450 CE2 TYR A 89 6.804 -21.724 -3.198 1.00 53.31 C ATOM 1451 CZ TYR A 89 6.558 -21.283 -1.915 1.00 13.11 C ATOM 1452 OH TYR A 89 6.508 -22.187 -0.877 1.00 40.14 O ATOM 0 H TYR A 89 7.456 -17.079 -7.205 1.00 74.03 H new ATOM 0 HA TYR A 89 8.144 -17.041 -4.356 1.00 12.13 H new ATOM 0 HB2 TYR A 89 5.873 -17.762 -5.064 1.00 72.13 H new ATOM 0 HB3 TYR A 89 6.564 -18.993 -6.102 1.00 72.13 H new ATOM 0 HD1 TYR A 89 6.257 -17.984 -2.511 1.00 55.22 H new ATOM 0 HD2 TYR A 89 7.043 -21.167 -5.241 1.00 43.22 H new ATOM 0 HE1 TYR A 89 6.170 -19.597 -0.660 1.00 73.45 H new ATOM 0 HE2 TYR A 89 6.959 -22.776 -3.390 1.00 53.31 H new ATOM 0 HH TYR A 89 6.666 -23.091 -1.222 1.00 40.14 H new ATOM 1462 N LYS A 90 9.714 -18.962 -6.497 1.00 31.24 N ATOM 1463 CA LYS A 90 10.874 -19.867 -6.602 1.00 62.22 C ATOM 1464 C LYS A 90 12.163 -19.154 -6.156 1.00 73.25 C ATOM 1465 O LYS A 90 12.929 -18.646 -6.974 1.00 31.12 O ATOM 1466 CB LYS A 90 11.034 -20.424 -8.030 1.00 42.51 C ATOM 1467 CG LYS A 90 12.083 -21.536 -8.147 1.00 41.12 C ATOM 1468 CD LYS A 90 12.239 -22.050 -9.585 1.00 23.03 C ATOM 1469 CE LYS A 90 12.885 -21.014 -10.501 1.00 32.42 C ATOM 1470 NZ LYS A 90 13.013 -21.497 -11.906 1.00 13.23 N ATOM 0 H LYS A 90 9.333 -18.649 -7.390 1.00 31.24 H new ATOM 0 HA LYS A 90 10.691 -20.710 -5.936 1.00 62.22 H new ATOM 0 HB2 LYS A 90 10.072 -20.808 -8.370 1.00 42.51 H new ATOM 0 HB3 LYS A 90 11.307 -19.608 -8.700 1.00 42.51 H new ATOM 0 HG2 LYS A 90 13.044 -21.163 -7.792 1.00 41.12 H new ATOM 0 HG3 LYS A 90 11.803 -22.365 -7.497 1.00 41.12 H new ATOM 0 HD2 LYS A 90 12.844 -22.957 -9.581 1.00 23.03 H new ATOM 0 HD3 LYS A 90 11.260 -22.322 -9.980 1.00 23.03 H new ATOM 0 HE2 LYS A 90 12.291 -20.100 -10.487 1.00 32.42 H new ATOM 0 HE3 LYS A 90 13.872 -20.759 -10.116 1.00 32.42 H new ATOM 0 HZ1 LYS A 90 13.330 -20.715 -12.514 1.00 13.23 H new ATOM 0 HZ2 LYS A 90 13.708 -22.270 -11.945 1.00 13.23 H new ATOM 0 HZ3 LYS A 90 12.091 -21.843 -12.239 1.00 13.23 H new ATOM 1484 N THR A 91 12.378 -19.113 -4.843 1.00 53.21 N ATOM 1485 CA THR A 91 13.516 -18.396 -4.245 1.00 31.23 C ATOM 1486 C THR A 91 14.662 -19.347 -3.879 1.00 34.34 C ATOM 1487 O THR A 91 15.588 -18.971 -3.159 1.00 34.01 O ATOM 1488 CB THR A 91 13.081 -17.640 -2.965 1.00 70.41 C ATOM 1489 OG1 THR A 91 12.753 -18.575 -1.925 1.00 4.25 O ATOM 1490 CG2 THR A 91 11.869 -16.756 -3.239 1.00 74.53 C ATOM 0 H THR A 91 11.774 -19.572 -4.161 1.00 53.21 H new ATOM 0 HA THR A 91 13.866 -17.689 -4.997 1.00 31.23 H new ATOM 0 HB THR A 91 13.914 -17.012 -2.648 1.00 70.41 H new ATOM 0 HG1 THR A 91 12.481 -18.087 -1.120 1.00 4.25 H new ATOM 0 HG21 THR A 91 11.584 -16.236 -2.324 1.00 74.53 H new ATOM 0 HG22 THR A 91 12.118 -16.026 -4.009 1.00 74.53 H new ATOM 0 HG23 THR A 91 11.038 -17.373 -3.580 1.00 74.53 H new ATOM 1498 N SER A 92 14.594 -20.579 -4.377 1.00 34.52 N ATOM 1499 CA SER A 92 15.626 -21.588 -4.106 1.00 72.33 C ATOM 1500 C SER A 92 16.985 -21.166 -4.688 1.00 63.14 C ATOM 1501 O SER A 92 17.135 -21.024 -5.905 1.00 73.23 O ATOM 1502 CB SER A 92 15.206 -22.948 -4.683 1.00 71.42 C ATOM 1503 OG SER A 92 16.185 -23.945 -4.430 1.00 3.40 O ATOM 0 H SER A 92 13.834 -20.908 -4.973 1.00 34.52 H new ATOM 0 HA SER A 92 15.732 -21.676 -3.025 1.00 72.33 H new ATOM 0 HB2 SER A 92 14.255 -23.252 -4.246 1.00 71.42 H new ATOM 0 HB3 SER A 92 15.048 -22.856 -5.758 1.00 71.42 H new ATOM 0 HG SER A 92 15.888 -24.799 -4.808 1.00 3.40 H new ATOM 1509 N ALA A 93 17.969 -20.969 -3.811 1.00 30.20 N ATOM 1510 CA ALA A 93 19.302 -20.504 -4.219 1.00 44.22 C ATOM 1511 C ALA A 93 19.954 -21.433 -5.259 1.00 44.30 C ATOM 1512 O ALA A 93 20.338 -22.564 -4.950 1.00 1.01 O ATOM 1513 CB ALA A 93 20.204 -20.363 -2.996 1.00 14.22 C ATOM 0 H ALA A 93 17.871 -21.124 -2.808 1.00 30.20 H new ATOM 0 HA ALA A 93 19.176 -19.531 -4.693 1.00 44.22 H new ATOM 0 HB1 ALA A 93 21.190 -20.018 -3.309 1.00 14.22 H new ATOM 0 HB2 ALA A 93 19.769 -19.641 -2.305 1.00 14.22 H new ATOM 0 HB3 ALA A 93 20.298 -21.329 -2.500 1.00 14.22 H new