USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HD1:sc= 0.127 K(o=-0.028,f=-4.4!) USER MOD Set 1.2: A 48 THR OG1 : rot -31:sc= 0.231 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -0.386 X(o=-0.028,f=-0.17) USER MOD Single : A 11 SER OG : rot -168:sc= 1.2 USER MOD Single : A 15 ASN : amide:sc=-0.00865 X(o=-0.0086,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 140:sc= 1.19 USER MOD Single : A 24 ASN : amide:sc= 0.289 K(o=0.29,f=-3.1!) USER MOD Single : A 37 THR OG1 : rot 91:sc= 0.993 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= 0.0184 (180deg=-1.63!) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 0.52 (180deg=0.178) USER MOD Single : A 59 MET CE :methyl -175:sc= 0 (180deg=-0.0357) USER MOD Single : A 61 MET CE :methyl -173:sc= 0 (180deg=-0.106) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= 2.32 (180deg=1.54) USER MOD Single : A 78 LYS NZ :NH3+ -129:sc= 1.25 (180deg=-0.211) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 1.07 (180deg=1.03) USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.18) USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.021) USER MOD Single : A 112 LYS NZ :NH3+ -139:sc= 0.517 (180deg=-1.97!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 10.787 1.227 6.363 1.00 1.63 N ATOM 56 CA GLU A 5 10.229 0.202 5.474 1.00 2.56 C ATOM 57 C GLU A 5 8.715 0.061 5.714 1.00 2.24 C ATOM 58 O GLU A 5 8.148 0.809 6.514 1.00 2.19 O ATOM 59 CB GLU A 5 10.984 -1.134 5.642 1.00 4.42 C ATOM 60 CG GLU A 5 11.090 -1.871 4.298 1.00 6.14 C ATOM 61 CD GLU A 5 11.765 -3.235 4.399 1.00 7.91 C ATOM 62 OE1 GLU A 5 12.171 -3.635 5.508 1.00 8.31 O ATOM 63 OE2 GLU A 5 11.857 -3.875 3.329 1.00 9.30 O ATOM 0 HA GLU A 5 10.365 0.510 4.437 1.00 2.56 H new ATOM 0 HB2 GLU A 5 11.982 -0.946 6.039 1.00 4.42 H new ATOM 0 HB3 GLU A 5 10.466 -1.762 6.367 1.00 4.42 H new ATOM 0 HG2 GLU A 5 10.090 -2.000 3.884 1.00 6.14 H new ATOM 0 HG3 GLU A 5 11.647 -1.251 3.596 1.00 6.14 H new ATOM 70 N GLY A 6 8.049 -0.836 4.981 1.00 2.32 N ATOM 71 CA GLY A 6 6.598 -1.030 4.999 1.00 2.09 C ATOM 72 C GLY A 6 6.149 -2.141 5.941 1.00 1.70 C ATOM 73 O GLY A 6 6.953 -2.937 6.423 1.00 1.77 O ATOM 0 H GLY A 6 8.523 -1.469 4.336 1.00 2.32 H new ATOM 0 HA2 GLY A 6 6.118 -0.097 5.294 1.00 2.09 H new ATOM 0 HA3 GLY A 6 6.257 -1.259 3.990 1.00 2.09 H new ATOM 77 N TRP A 7 4.832 -2.262 6.090 1.00 1.50 N ATOM 78 CA TRP A 7 4.180 -3.338 6.830 1.00 1.23 C ATOM 79 C TRP A 7 2.739 -3.590 6.347 1.00 0.85 C ATOM 80 O TRP A 7 2.188 -2.813 5.565 1.00 0.91 O ATOM 81 CB TRP A 7 4.237 -3.008 8.320 1.00 1.55 C ATOM 82 CG TRP A 7 3.332 -1.907 8.771 1.00 1.69 C ATOM 83 CD1 TRP A 7 2.183 -2.113 9.439 1.00 1.72 C ATOM 84 CD2 TRP A 7 3.471 -0.450 8.665 1.00 2.11 C ATOM 85 NE1 TRP A 7 1.635 -0.914 9.817 1.00 2.02 N ATOM 86 CE2 TRP A 7 2.361 0.153 9.334 1.00 2.23 C ATOM 87 CE3 TRP A 7 4.423 0.428 8.104 1.00 2.59 C ATOM 88 CZ2 TRP A 7 2.202 1.545 9.433 1.00 2.70 C ATOM 89 CZ3 TRP A 7 4.267 1.825 8.181 1.00 3.09 C ATOM 90 CH2 TRP A 7 3.162 2.385 8.845 1.00 3.12 C ATOM 0 H TRP A 7 4.172 -1.596 5.688 1.00 1.50 H new ATOM 0 HA TRP A 7 4.713 -4.271 6.647 1.00 1.23 H new ATOM 0 HB2 TRP A 7 3.993 -3.909 8.883 1.00 1.55 H new ATOM 0 HB3 TRP A 7 5.262 -2.740 8.576 1.00 1.55 H new ATOM 0 HD1 TRP A 7 1.754 -3.082 9.647 1.00 1.72 H new ATOM 0 HE1 TRP A 7 0.793 -0.823 10.386 1.00 2.02 H new ATOM 0 HE3 TRP A 7 5.289 0.020 7.605 1.00 2.59 H new ATOM 0 HZ2 TRP A 7 1.354 1.964 9.954 1.00 2.70 H new ATOM 0 HZ3 TRP A 7 5.003 2.472 7.726 1.00 3.09 H new ATOM 0 HH2 TRP A 7 3.051 3.458 8.903 1.00 3.12 H new ATOM 101 N VAL A 8 2.142 -4.705 6.773 1.00 0.75 N ATOM 102 CA VAL A 8 0.740 -5.067 6.493 1.00 0.88 C ATOM 103 C VAL A 8 -0.067 -4.911 7.786 1.00 1.20 C ATOM 104 O VAL A 8 0.463 -5.159 8.868 1.00 1.50 O ATOM 105 CB VAL A 8 0.586 -6.520 5.956 1.00 1.03 C ATOM 106 CG1 VAL A 8 -0.736 -6.717 5.192 1.00 1.31 C ATOM 107 CG2 VAL A 8 1.729 -6.948 5.018 1.00 1.05 C ATOM 0 H VAL A 8 2.627 -5.403 7.337 1.00 0.75 H new ATOM 0 HA VAL A 8 0.371 -4.402 5.712 1.00 0.88 H new ATOM 0 HB VAL A 8 0.606 -7.141 6.852 1.00 1.03 H new ATOM 0 HG11 VAL A 8 -0.801 -7.745 4.836 1.00 1.31 H new ATOM 0 HG12 VAL A 8 -1.575 -6.510 5.857 1.00 1.31 H new ATOM 0 HG13 VAL A 8 -0.770 -6.036 4.342 1.00 1.31 H new ATOM 0 HG21 VAL A 8 1.559 -7.970 4.680 1.00 1.05 H new ATOM 0 HG22 VAL A 8 1.761 -6.282 4.156 1.00 1.05 H new ATOM 0 HG23 VAL A 8 2.677 -6.895 5.553 1.00 1.05 H new ATOM 117 N ARG A 9 -1.353 -4.556 7.667 1.00 1.30 N ATOM 118 CA ARG A 9 -2.339 -4.813 8.729 1.00 1.31 C ATOM 119 C ARG A 9 -2.756 -6.301 8.683 1.00 1.13 C ATOM 120 O ARG A 9 -1.906 -7.158 8.478 1.00 2.21 O ATOM 121 CB ARG A 9 -3.502 -3.804 8.668 1.00 1.85 C ATOM 122 CG ARG A 9 -4.150 -3.681 7.280 1.00 1.81 C ATOM 123 CD ARG A 9 -5.588 -3.148 7.347 1.00 2.62 C ATOM 124 NE ARG A 9 -6.548 -4.268 7.330 1.00 3.32 N ATOM 125 CZ ARG A 9 -7.830 -4.232 6.984 1.00 4.31 C ATOM 126 NH1 ARG A 9 -8.486 -3.112 6.758 1.00 4.62 N ATOM 127 NH2 ARG A 9 -8.488 -5.365 6.855 1.00 5.77 N ATOM 0 H ARG A 9 -1.737 -4.089 6.845 1.00 1.30 H new ATOM 0 HA ARG A 9 -1.898 -4.648 9.712 1.00 1.31 H new ATOM 0 HB2 ARG A 9 -4.264 -4.100 9.389 1.00 1.85 H new ATOM 0 HB3 ARG A 9 -3.136 -2.824 8.975 1.00 1.85 H new ATOM 0 HG2 ARG A 9 -3.548 -3.017 6.659 1.00 1.81 H new ATOM 0 HG3 ARG A 9 -4.150 -4.657 6.795 1.00 1.81 H new ATOM 0 HD2 ARG A 9 -5.723 -2.558 8.253 1.00 2.62 H new ATOM 0 HD3 ARG A 9 -5.777 -2.484 6.503 1.00 2.62 H new ATOM 0 HE ARG A 9 -6.185 -5.177 7.618 1.00 3.32 H new ATOM 0 HH11 ARG A 9 -8.009 -2.215 6.846 1.00 4.62 H new ATOM 0 HH12 ARG A 9 -9.471 -3.142 6.495 1.00 4.62 H new ATOM 0 HH21 ARG A 9 -8.013 -6.252 7.020 1.00 5.77 H new ATOM 0 HH22 ARG A 9 -9.473 -5.355 6.590 1.00 5.77 H new ATOM 141 N PHE A 10 -4.049 -6.631 8.799 1.00 1.27 N ATOM 142 CA PHE A 10 -4.556 -7.999 8.928 1.00 1.20 C ATOM 143 C PHE A 10 -5.845 -8.198 8.124 1.00 1.31 C ATOM 144 O PHE A 10 -6.626 -7.259 7.941 1.00 1.46 O ATOM 145 CB PHE A 10 -4.777 -8.296 10.424 1.00 1.22 C ATOM 146 CG PHE A 10 -5.608 -9.521 10.731 1.00 1.47 C ATOM 147 CD1 PHE A 10 -5.049 -10.800 10.567 1.00 1.77 C ATOM 148 CD2 PHE A 10 -6.946 -9.387 11.149 1.00 2.58 C ATOM 149 CE1 PHE A 10 -5.826 -11.940 10.824 1.00 1.95 C ATOM 150 CE2 PHE A 10 -7.722 -10.529 11.408 1.00 2.86 C ATOM 151 CZ PHE A 10 -7.162 -11.808 11.242 1.00 2.09 C ATOM 0 H PHE A 10 -4.791 -5.931 8.806 1.00 1.27 H new ATOM 0 HA PHE A 10 -3.826 -8.698 8.519 1.00 1.20 H new ATOM 0 HB2 PHE A 10 -3.804 -8.410 10.901 1.00 1.22 H new ATOM 0 HB3 PHE A 10 -5.256 -7.430 10.881 1.00 1.22 H new ATOM 0 HD1 PHE A 10 -4.024 -10.905 10.244 1.00 1.77 H new ATOM 0 HD2 PHE A 10 -7.377 -8.404 11.271 1.00 2.58 H new ATOM 0 HE1 PHE A 10 -5.396 -12.923 10.700 1.00 1.95 H new ATOM 0 HE2 PHE A 10 -8.746 -10.425 11.734 1.00 2.86 H new ATOM 0 HZ PHE A 10 -7.757 -12.688 11.435 1.00 2.09 H new ATOM 161 N SER A 11 -6.059 -9.447 7.712 1.00 1.33 N ATOM 162 CA SER A 11 -7.323 -10.042 7.269 1.00 1.41 C ATOM 163 C SER A 11 -7.206 -11.579 7.339 1.00 1.43 C ATOM 164 O SER A 11 -6.161 -12.096 6.946 1.00 1.43 O ATOM 165 CB SER A 11 -7.640 -9.679 5.814 1.00 1.43 C ATOM 166 OG SER A 11 -8.170 -8.374 5.659 1.00 2.58 O ATOM 0 H SER A 11 -5.296 -10.122 7.676 1.00 1.33 H new ATOM 0 HA SER A 11 -8.112 -9.661 7.918 1.00 1.41 H new ATOM 0 HB2 SER A 11 -6.730 -9.766 5.220 1.00 1.43 H new ATOM 0 HB3 SER A 11 -8.352 -10.401 5.415 1.00 1.43 H new ATOM 0 HG SER A 11 -8.521 -8.269 4.750 1.00 2.58 H new ATOM 172 N PRO A 12 -8.260 -12.321 7.737 1.00 1.63 N ATOM 173 CA PRO A 12 -8.279 -13.782 7.626 1.00 1.79 C ATOM 174 C PRO A 12 -8.427 -14.254 6.169 1.00 1.57 C ATOM 175 O PRO A 12 -8.058 -15.375 5.841 1.00 1.80 O ATOM 176 CB PRO A 12 -9.487 -14.205 8.462 1.00 2.12 C ATOM 177 CG PRO A 12 -10.462 -13.038 8.307 1.00 2.04 C ATOM 178 CD PRO A 12 -9.535 -11.826 8.241 1.00 1.84 C ATOM 0 HA PRO A 12 -7.345 -14.224 7.973 1.00 1.79 H new ATOM 0 HB2 PRO A 12 -9.918 -15.138 8.099 1.00 2.12 H new ATOM 0 HB3 PRO A 12 -9.216 -14.364 9.506 1.00 2.12 H new ATOM 0 HG2 PRO A 12 -11.067 -13.134 7.405 1.00 2.04 H new ATOM 0 HG3 PRO A 12 -11.152 -12.974 9.148 1.00 2.04 H new ATOM 0 HD2 PRO A 12 -9.943 -11.058 7.583 1.00 1.84 H new ATOM 0 HD3 PRO A 12 -9.416 -11.372 9.225 1.00 1.84 H new ATOM 186 N GLY A 13 -8.990 -13.396 5.316 1.00 1.27 N ATOM 187 CA GLY A 13 -9.330 -13.639 3.914 1.00 1.10 C ATOM 188 C GLY A 13 -10.644 -12.937 3.542 1.00 1.09 C ATOM 189 O GLY A 13 -11.294 -12.372 4.425 1.00 1.32 O ATOM 0 H GLY A 13 -9.237 -12.450 5.607 1.00 1.27 H new ATOM 0 HA2 GLY A 13 -8.526 -13.279 3.272 1.00 1.10 H new ATOM 0 HA3 GLY A 13 -9.423 -14.711 3.738 1.00 1.10 H new ATOM 193 N PRO A 14 -11.041 -12.903 2.254 1.00 0.98 N ATOM 194 CA PRO A 14 -10.254 -13.297 1.091 1.00 0.88 C ATOM 195 C PRO A 14 -9.253 -12.206 0.662 1.00 0.77 C ATOM 196 O PRO A 14 -8.599 -12.375 -0.360 1.00 0.78 O ATOM 197 CB PRO A 14 -11.302 -13.545 0.001 1.00 0.92 C ATOM 198 CG PRO A 14 -12.360 -12.486 0.304 1.00 0.98 C ATOM 199 CD PRO A 14 -12.348 -12.415 1.831 1.00 1.09 C ATOM 0 HA PRO A 14 -9.638 -14.172 1.297 1.00 0.88 H new ATOM 0 HB2 PRO A 14 -10.883 -13.424 -0.998 1.00 0.92 H new ATOM 0 HB3 PRO A 14 -11.712 -14.554 0.055 1.00 0.92 H new ATOM 0 HG2 PRO A 14 -12.110 -11.525 -0.147 1.00 0.98 H new ATOM 0 HG3 PRO A 14 -13.339 -12.773 -0.079 1.00 0.98 H new ATOM 0 HD2 PRO A 14 -12.511 -11.393 2.174 1.00 1.09 H new ATOM 0 HD3 PRO A 14 -13.146 -13.024 2.255 1.00 1.09 H new ATOM 207 N ASN A 15 -9.119 -11.084 1.387 1.00 0.72 N ATOM 208 CA ASN A 15 -8.256 -9.973 0.974 1.00 0.59 C ATOM 209 C ASN A 15 -7.753 -9.076 2.114 1.00 0.68 C ATOM 210 O ASN A 15 -8.488 -8.710 3.035 1.00 1.33 O ATOM 211 CB ASN A 15 -8.906 -9.162 -0.159 1.00 0.75 C ATOM 212 CG ASN A 15 -10.317 -8.644 0.082 1.00 1.15 C ATOM 213 OD1 ASN A 15 -11.248 -8.989 -0.622 1.00 2.64 O ATOM 214 ND2 ASN A 15 -10.519 -7.769 1.048 1.00 1.69 N ATOM 0 H ASN A 15 -9.604 -10.925 2.270 1.00 0.72 H new ATOM 0 HA ASN A 15 -7.349 -10.442 0.593 1.00 0.59 H new ATOM 0 HB2 ASN A 15 -8.264 -8.308 -0.375 1.00 0.75 H new ATOM 0 HB3 ASN A 15 -8.922 -9.784 -1.054 1.00 0.75 H new ATOM 0 HD21 ASN A 15 -11.451 -7.385 1.202 1.00 1.69 H new ATOM 0 HD22 ASN A 15 -9.743 -7.476 1.641 1.00 1.69 H new ATOM 221 N ALA A 16 -6.482 -8.692 2.005 1.00 0.49 N ATOM 222 CA ALA A 16 -5.700 -7.880 2.943 1.00 0.48 C ATOM 223 C ALA A 16 -5.461 -6.457 2.389 1.00 0.44 C ATOM 224 O ALA A 16 -5.969 -6.085 1.328 1.00 0.41 O ATOM 225 CB ALA A 16 -4.392 -8.634 3.246 1.00 0.52 C ATOM 0 H ALA A 16 -5.926 -8.961 1.194 1.00 0.49 H new ATOM 0 HA ALA A 16 -6.247 -7.737 3.875 1.00 0.48 H new ATOM 0 HB1 ALA A 16 -3.789 -8.052 3.943 1.00 0.52 H new ATOM 0 HB2 ALA A 16 -4.625 -9.602 3.689 1.00 0.52 H new ATOM 0 HB3 ALA A 16 -3.835 -8.782 2.321 1.00 0.52 H new ATOM 231 N ALA A 17 -4.703 -5.644 3.126 1.00 0.48 N ATOM 232 CA ALA A 17 -4.320 -4.278 2.773 1.00 0.44 C ATOM 233 C ALA A 17 -2.942 -3.971 3.396 1.00 0.56 C ATOM 234 O ALA A 17 -2.736 -4.289 4.567 1.00 0.92 O ATOM 235 CB ALA A 17 -5.393 -3.323 3.310 1.00 0.44 C ATOM 0 H ALA A 17 -4.322 -5.934 4.027 1.00 0.48 H new ATOM 0 HA ALA A 17 -4.245 -4.156 1.692 1.00 0.44 H new ATOM 0 HB1 ALA A 17 -5.126 -2.297 3.057 1.00 0.44 H new ATOM 0 HB2 ALA A 17 -6.356 -3.569 2.862 1.00 0.44 H new ATOM 0 HB3 ALA A 17 -5.461 -3.424 4.393 1.00 0.44 H new ATOM 241 N ALA A 18 -2.019 -3.363 2.651 1.00 0.46 N ATOM 242 CA ALA A 18 -0.649 -3.093 3.079 1.00 0.48 C ATOM 243 C ALA A 18 -0.335 -1.595 3.022 1.00 0.46 C ATOM 244 O ALA A 18 -0.682 -0.909 2.055 1.00 0.50 O ATOM 245 CB ALA A 18 0.308 -3.902 2.193 1.00 0.55 C ATOM 0 H ALA A 18 -2.211 -3.035 1.704 1.00 0.46 H new ATOM 0 HA ALA A 18 -0.524 -3.398 4.118 1.00 0.48 H new ATOM 0 HB1 ALA A 18 1.336 -3.712 2.500 1.00 0.55 H new ATOM 0 HB2 ALA A 18 0.089 -4.965 2.297 1.00 0.55 H new ATOM 0 HB3 ALA A 18 0.179 -3.605 1.152 1.00 0.55 H new ATOM 251 N TYR A 19 0.342 -1.098 4.049 1.00 0.53 N ATOM 252 CA TYR A 19 0.848 0.273 4.172 1.00 0.59 C ATOM 253 C TYR A 19 2.372 0.267 3.962 1.00 0.67 C ATOM 254 O TYR A 19 3.135 0.088 4.911 1.00 1.06 O ATOM 255 CB TYR A 19 0.451 0.827 5.553 1.00 0.79 C ATOM 256 CG TYR A 19 -1.050 0.936 5.764 1.00 1.03 C ATOM 257 CD1 TYR A 19 -1.753 2.028 5.220 1.00 2.36 C ATOM 258 CD2 TYR A 19 -1.755 -0.058 6.471 1.00 1.67 C ATOM 259 CE1 TYR A 19 -3.151 2.127 5.358 1.00 2.64 C ATOM 260 CE2 TYR A 19 -3.154 0.033 6.609 1.00 1.77 C ATOM 261 CZ TYR A 19 -3.861 1.114 6.037 1.00 1.66 C ATOM 262 OH TYR A 19 -5.220 1.161 6.126 1.00 1.97 O ATOM 0 H TYR A 19 0.568 -1.667 4.865 1.00 0.53 H new ATOM 0 HA TYR A 19 0.413 0.923 3.413 1.00 0.59 H new ATOM 0 HB2 TYR A 19 0.871 0.184 6.326 1.00 0.79 H new ATOM 0 HB3 TYR A 19 0.899 1.813 5.681 1.00 0.79 H new ATOM 0 HD1 TYR A 19 -1.213 2.799 4.690 1.00 2.36 H new ATOM 0 HD2 TYR A 19 -1.223 -0.890 6.907 1.00 1.67 H new ATOM 0 HE1 TYR A 19 -3.678 2.975 4.946 1.00 2.64 H new ATOM 0 HE2 TYR A 19 -3.690 -0.729 7.156 1.00 1.77 H new ATOM 0 HH TYR A 19 -5.542 0.383 6.627 1.00 1.97 H new ATOM 272 N LEU A 20 2.821 0.353 2.702 1.00 0.99 N ATOM 273 CA LEU A 20 4.242 0.246 2.340 1.00 1.17 C ATOM 274 C LEU A 20 4.954 1.603 2.331 1.00 1.05 C ATOM 275 O LEU A 20 4.303 2.635 2.169 1.00 0.82 O ATOM 276 CB LEU A 20 4.415 -0.598 1.057 1.00 1.37 C ATOM 277 CG LEU A 20 3.963 0.014 -0.286 1.00 1.33 C ATOM 278 CD1 LEU A 20 4.909 1.111 -0.801 1.00 1.96 C ATOM 279 CD2 LEU A 20 3.900 -1.107 -1.333 1.00 1.74 C ATOM 0 H LEU A 20 2.206 0.499 1.901 1.00 0.99 H new ATOM 0 HA LEU A 20 4.761 -0.303 3.126 1.00 1.17 H new ATOM 0 HB2 LEU A 20 5.471 -0.855 0.967 1.00 1.37 H new ATOM 0 HB3 LEU A 20 3.871 -1.532 1.197 1.00 1.37 H new ATOM 0 HG LEU A 20 2.990 0.477 -0.121 1.00 1.33 H new ATOM 0 HD11 LEU A 20 4.534 1.499 -1.748 1.00 1.96 H new ATOM 0 HD12 LEU A 20 4.960 1.920 -0.072 1.00 1.96 H new ATOM 0 HD13 LEU A 20 5.905 0.693 -0.949 1.00 1.96 H new ATOM 0 HD21 LEU A 20 3.582 -0.694 -2.290 1.00 1.74 H new ATOM 0 HD22 LEU A 20 4.886 -1.558 -1.442 1.00 1.74 H new ATOM 0 HD23 LEU A 20 3.187 -1.866 -1.011 1.00 1.74 H new ATOM 291 N THR A 21 6.286 1.579 2.465 1.00 1.33 N ATOM 292 CA THR A 21 7.140 2.767 2.632 1.00 1.22 C ATOM 293 C THR A 21 8.313 2.691 1.664 1.00 1.43 C ATOM 294 O THR A 21 8.942 1.642 1.566 1.00 1.65 O ATOM 295 CB THR A 21 7.682 2.842 4.065 1.00 1.33 C ATOM 296 OG1 THR A 21 6.670 2.486 4.980 1.00 1.94 O ATOM 297 CG2 THR A 21 8.179 4.242 4.430 1.00 1.48 C ATOM 0 H THR A 21 6.817 0.708 2.460 1.00 1.33 H new ATOM 0 HA THR A 21 6.542 3.655 2.428 1.00 1.22 H new ATOM 0 HB THR A 21 8.523 2.150 4.118 1.00 1.33 H new ATOM 0 HG1 THR A 21 7.053 1.934 5.693 1.00 1.94 H new ATOM 0 HG21 THR A 21 8.552 4.240 5.454 1.00 1.48 H new ATOM 0 HG22 THR A 21 8.982 4.531 3.752 1.00 1.48 H new ATOM 0 HG23 THR A 21 7.358 4.953 4.344 1.00 1.48 H new ATOM 305 N LEU A 22 8.606 3.795 0.972 1.00 1.60 N ATOM 306 CA LEU A 22 9.771 3.981 0.093 1.00 2.05 C ATOM 307 C LEU A 22 10.055 5.497 -0.048 1.00 1.40 C ATOM 308 O LEU A 22 9.238 6.324 0.361 1.00 1.25 O ATOM 309 CB LEU A 22 9.535 3.265 -1.266 1.00 3.10 C ATOM 310 CG LEU A 22 10.651 2.346 -1.810 1.00 4.21 C ATOM 311 CD1 LEU A 22 12.001 3.057 -1.967 1.00 4.36 C ATOM 312 CD2 LEU A 22 10.822 1.076 -0.975 1.00 5.32 C ATOM 0 H LEU A 22 8.012 4.624 1.009 1.00 1.60 H new ATOM 0 HA LEU A 22 10.661 3.522 0.524 1.00 2.05 H new ATOM 0 HB2 LEU A 22 8.627 2.668 -1.175 1.00 3.10 H new ATOM 0 HB3 LEU A 22 9.339 4.031 -2.016 1.00 3.10 H new ATOM 0 HG LEU A 22 10.314 2.060 -2.806 1.00 4.21 H new ATOM 0 HD11 LEU A 22 12.740 2.354 -2.353 1.00 4.36 H new ATOM 0 HD12 LEU A 22 11.895 3.890 -2.662 1.00 4.36 H new ATOM 0 HD13 LEU A 22 12.329 3.433 -0.998 1.00 4.36 H new ATOM 0 HD21 LEU A 22 11.619 0.465 -1.400 1.00 5.32 H new ATOM 0 HD22 LEU A 22 11.079 1.346 0.049 1.00 5.32 H new ATOM 0 HD23 LEU A 22 9.890 0.510 -0.978 1.00 5.32 H new ATOM 324 N GLU A 23 11.187 5.885 -0.635 1.00 1.32 N ATOM 325 CA GLU A 23 11.600 7.278 -0.843 1.00 1.14 C ATOM 326 C GLU A 23 12.308 7.376 -2.203 1.00 1.12 C ATOM 327 O GLU A 23 12.966 6.420 -2.613 1.00 1.54 O ATOM 328 CB GLU A 23 12.525 7.770 0.298 1.00 1.81 C ATOM 329 CG GLU A 23 11.955 7.525 1.712 1.00 2.72 C ATOM 330 CD GLU A 23 12.697 8.238 2.852 1.00 3.64 C ATOM 331 OE1 GLU A 23 13.756 8.842 2.606 1.00 4.18 O ATOM 332 OE2 GLU A 23 12.161 8.187 3.987 1.00 4.65 O ATOM 0 H GLU A 23 11.868 5.216 -0.993 1.00 1.32 H new ATOM 0 HA GLU A 23 10.720 7.921 -0.835 1.00 1.14 H new ATOM 0 HB2 GLU A 23 13.489 7.269 0.213 1.00 1.81 H new ATOM 0 HB3 GLU A 23 12.708 8.837 0.170 1.00 1.81 H new ATOM 0 HG2 GLU A 23 10.912 7.842 1.725 1.00 2.72 H new ATOM 0 HG3 GLU A 23 11.965 6.453 1.909 1.00 2.72 H new ATOM 339 N ASN A 24 12.155 8.493 -2.915 1.00 1.01 N ATOM 340 CA ASN A 24 12.770 8.742 -4.224 1.00 0.97 C ATOM 341 C ASN A 24 14.112 9.488 -4.068 1.00 1.14 C ATOM 342 O ASN A 24 14.100 10.692 -3.800 1.00 1.25 O ATOM 343 CB ASN A 24 11.813 9.578 -5.097 1.00 1.03 C ATOM 344 CG ASN A 24 12.409 9.841 -6.479 1.00 1.02 C ATOM 345 OD1 ASN A 24 13.361 9.193 -6.902 1.00 1.52 O ATOM 346 ND2 ASN A 24 11.884 10.804 -7.205 1.00 1.11 N ATOM 0 H ASN A 24 11.584 9.273 -2.590 1.00 1.01 H new ATOM 0 HA ASN A 24 12.961 7.782 -4.703 1.00 0.97 H new ATOM 0 HB2 ASN A 24 10.863 9.055 -5.202 1.00 1.03 H new ATOM 0 HB3 ASN A 24 11.602 10.526 -4.603 1.00 1.03 H new ATOM 0 HD21 ASN A 24 12.268 11.016 -8.126 1.00 1.11 H new ATOM 0 HD22 ASN A 24 11.093 11.339 -6.847 1.00 1.11 H new ATOM 353 N PRO A 25 15.267 8.836 -4.297 1.00 1.35 N ATOM 354 CA PRO A 25 16.575 9.484 -4.218 1.00 1.61 C ATOM 355 C PRO A 25 16.983 10.274 -5.472 1.00 1.68 C ATOM 356 O PRO A 25 17.988 10.983 -5.422 1.00 1.87 O ATOM 357 CB PRO A 25 17.553 8.325 -3.982 1.00 1.81 C ATOM 358 CG PRO A 25 16.897 7.179 -4.753 1.00 1.74 C ATOM 359 CD PRO A 25 15.422 7.398 -4.463 1.00 1.45 C ATOM 0 HA PRO A 25 16.566 10.237 -3.430 1.00 1.61 H new ATOM 0 HB2 PRO A 25 18.550 8.551 -4.361 1.00 1.81 H new ATOM 0 HB3 PRO A 25 17.660 8.093 -2.922 1.00 1.81 H new ATOM 0 HG2 PRO A 25 17.114 7.230 -5.820 1.00 1.74 H new ATOM 0 HG3 PRO A 25 17.240 6.205 -4.404 1.00 1.74 H new ATOM 0 HD2 PRO A 25 14.802 7.028 -5.280 1.00 1.45 H new ATOM 0 HD3 PRO A 25 15.115 6.864 -3.564 1.00 1.45 H new ATOM 367 N GLY A 26 16.264 10.164 -6.600 1.00 1.56 N ATOM 368 CA GLY A 26 16.678 10.730 -7.875 1.00 1.57 C ATOM 369 C GLY A 26 16.520 12.240 -7.951 1.00 1.60 C ATOM 370 O GLY A 26 15.918 12.891 -7.103 1.00 1.88 O ATOM 0 H GLY A 26 15.371 9.673 -6.644 1.00 1.56 H new ATOM 0 HA2 GLY A 26 17.722 10.473 -8.055 1.00 1.57 H new ATOM 0 HA3 GLY A 26 16.094 10.271 -8.673 1.00 1.57 H new ATOM 374 N ASP A 27 17.095 12.774 -9.018 1.00 1.59 N ATOM 375 CA ASP A 27 17.050 14.173 -9.446 1.00 1.95 C ATOM 376 C ASP A 27 15.820 14.454 -10.338 1.00 1.83 C ATOM 377 O ASP A 27 15.523 15.597 -10.675 1.00 2.03 O ATOM 378 CB ASP A 27 18.367 14.444 -10.200 1.00 2.39 C ATOM 379 CG ASP A 27 19.557 14.780 -9.284 1.00 3.01 C ATOM 380 OD1 ASP A 27 19.624 14.197 -8.173 1.00 2.89 O ATOM 381 OD2 ASP A 27 20.383 15.623 -9.681 1.00 4.31 O ATOM 0 H ASP A 27 17.647 12.203 -9.658 1.00 1.59 H new ATOM 0 HA ASP A 27 16.951 14.837 -8.587 1.00 1.95 H new ATOM 0 HB2 ASP A 27 18.618 13.568 -10.797 1.00 2.39 H new ATOM 0 HB3 ASP A 27 18.212 15.270 -10.895 1.00 2.39 H new ATOM 386 N LEU A 28 15.080 13.394 -10.691 1.00 1.55 N ATOM 387 CA LEU A 28 13.892 13.394 -11.537 1.00 1.46 C ATOM 388 C LEU A 28 12.714 12.734 -10.778 1.00 1.33 C ATOM 389 O LEU A 28 12.946 12.031 -9.786 1.00 1.33 O ATOM 390 CB LEU A 28 14.212 12.652 -12.851 1.00 1.47 C ATOM 391 CG LEU A 28 15.442 13.180 -13.630 1.00 3.05 C ATOM 392 CD1 LEU A 28 16.722 12.390 -13.303 1.00 3.93 C ATOM 393 CD2 LEU A 28 15.191 13.075 -15.143 1.00 3.65 C ATOM 0 H LEU A 28 15.316 12.455 -10.369 1.00 1.55 H new ATOM 0 HA LEU A 28 13.598 14.414 -11.783 1.00 1.46 H new ATOM 0 HB2 LEU A 28 14.372 11.598 -12.623 1.00 1.47 H new ATOM 0 HB3 LEU A 28 13.339 12.708 -13.502 1.00 1.47 H new ATOM 0 HG LEU A 28 15.584 14.218 -13.328 1.00 3.05 H new ATOM 0 HD11 LEU A 28 17.557 12.797 -13.873 1.00 3.93 H new ATOM 0 HD12 LEU A 28 16.937 12.470 -12.237 1.00 3.93 H new ATOM 0 HD13 LEU A 28 16.580 11.342 -13.566 1.00 3.93 H new ATOM 0 HD21 LEU A 28 16.061 13.449 -15.683 1.00 3.65 H new ATOM 0 HD22 LEU A 28 15.017 12.033 -15.412 1.00 3.65 H new ATOM 0 HD23 LEU A 28 14.317 13.669 -15.409 1.00 3.65 H new ATOM 405 N PRO A 29 11.452 12.942 -11.202 1.00 1.28 N ATOM 406 CA PRO A 29 10.286 12.505 -10.452 1.00 1.22 C ATOM 407 C PRO A 29 9.989 11.020 -10.691 1.00 1.14 C ATOM 408 O PRO A 29 10.347 10.449 -11.725 1.00 1.15 O ATOM 409 CB PRO A 29 9.139 13.410 -10.911 1.00 1.26 C ATOM 410 CG PRO A 29 9.504 13.737 -12.358 1.00 1.30 C ATOM 411 CD PRO A 29 11.033 13.654 -12.402 1.00 1.33 C ATOM 0 HA PRO A 29 10.442 12.590 -9.377 1.00 1.22 H new ATOM 0 HB2 PRO A 29 8.176 12.904 -10.844 1.00 1.26 H new ATOM 0 HB3 PRO A 29 9.069 14.311 -10.301 1.00 1.26 H new ATOM 0 HG2 PRO A 29 9.049 13.029 -13.051 1.00 1.30 H new ATOM 0 HG3 PRO A 29 9.153 14.730 -12.640 1.00 1.30 H new ATOM 0 HD2 PRO A 29 11.366 13.130 -13.298 1.00 1.33 H new ATOM 0 HD3 PRO A 29 11.473 14.651 -12.433 1.00 1.33 H new ATOM 419 N LEU A 30 9.307 10.415 -9.717 1.00 1.16 N ATOM 420 CA LEU A 30 8.844 9.029 -9.708 1.00 1.03 C ATOM 421 C LEU A 30 7.317 8.961 -9.639 1.00 0.90 C ATOM 422 O LEU A 30 6.631 9.894 -9.230 1.00 1.17 O ATOM 423 CB LEU A 30 9.461 8.281 -8.507 1.00 1.12 C ATOM 424 CG LEU A 30 10.755 7.496 -8.788 1.00 1.13 C ATOM 425 CD1 LEU A 30 10.472 6.102 -9.345 1.00 2.56 C ATOM 426 CD2 LEU A 30 11.770 8.196 -9.700 1.00 2.84 C ATOM 0 H LEU A 30 9.049 10.910 -8.863 1.00 1.16 H new ATOM 0 HA LEU A 30 9.163 8.553 -10.635 1.00 1.03 H new ATOM 0 HB2 LEU A 30 9.664 9.006 -7.719 1.00 1.12 H new ATOM 0 HB3 LEU A 30 8.717 7.587 -8.117 1.00 1.12 H new ATOM 0 HG LEU A 30 11.217 7.428 -7.803 1.00 1.13 H new ATOM 0 HD11 LEU A 30 11.414 5.585 -9.528 1.00 2.56 H new ATOM 0 HD12 LEU A 30 9.881 5.536 -8.625 1.00 2.56 H new ATOM 0 HD13 LEU A 30 9.918 6.189 -10.280 1.00 2.56 H new ATOM 0 HD21 LEU A 30 12.643 7.556 -9.832 1.00 2.84 H new ATOM 0 HD22 LEU A 30 11.313 8.391 -10.670 1.00 2.84 H new ATOM 0 HD23 LEU A 30 12.076 9.139 -9.247 1.00 2.84 H new ATOM 438 N ARG A 31 6.807 7.787 -9.999 1.00 0.59 N ATOM 439 CA ARG A 31 5.367 7.529 -10.152 1.00 0.51 C ATOM 440 C ARG A 31 5.048 6.053 -9.966 1.00 0.48 C ATOM 441 O ARG A 31 5.563 5.233 -10.725 1.00 0.54 O ATOM 442 CB ARG A 31 4.890 7.974 -11.544 1.00 0.52 C ATOM 443 CG ARG A 31 3.354 8.024 -11.617 1.00 0.53 C ATOM 444 CD ARG A 31 2.836 8.514 -12.970 1.00 0.89 C ATOM 445 NE ARG A 31 3.087 9.952 -13.154 1.00 1.06 N ATOM 446 CZ ARG A 31 2.816 10.680 -14.225 1.00 1.49 C ATOM 447 NH1 ARG A 31 2.297 10.136 -15.310 1.00 2.38 N ATOM 448 NH2 ARG A 31 3.065 11.966 -14.213 1.00 1.92 N ATOM 0 H ARG A 31 7.386 6.971 -10.197 1.00 0.59 H new ATOM 0 HA ARG A 31 4.847 8.101 -9.383 1.00 0.51 H new ATOM 0 HB2 ARG A 31 5.300 8.957 -11.774 1.00 0.52 H new ATOM 0 HB3 ARG A 31 5.270 7.286 -12.299 1.00 0.52 H new ATOM 0 HG2 ARG A 31 2.954 7.030 -11.419 1.00 0.53 H new ATOM 0 HG3 ARG A 31 2.980 8.680 -10.831 1.00 0.53 H new ATOM 0 HD2 ARG A 31 3.319 7.954 -13.770 1.00 0.89 H new ATOM 0 HD3 ARG A 31 1.766 8.318 -13.044 1.00 0.89 H new ATOM 0 HE ARG A 31 3.517 10.442 -12.369 1.00 1.06 H new ATOM 0 HH11 ARG A 31 2.097 9.136 -15.334 1.00 2.38 H new ATOM 0 HH12 ARG A 31 2.096 10.716 -16.125 1.00 2.38 H new ATOM 0 HH21 ARG A 31 3.465 12.400 -13.381 1.00 1.92 H new ATOM 0 HH22 ARG A 31 2.859 12.533 -15.035 1.00 1.92 H new ATOM 462 N LEU A 32 4.204 5.722 -8.994 1.00 0.58 N ATOM 463 CA LEU A 32 3.864 4.367 -8.557 1.00 0.55 C ATOM 464 C LEU A 32 2.486 3.981 -9.095 1.00 0.54 C ATOM 465 O LEU A 32 1.494 4.581 -8.700 1.00 0.63 O ATOM 466 CB LEU A 32 3.900 4.404 -7.022 1.00 0.59 C ATOM 467 CG LEU A 32 3.625 3.088 -6.271 1.00 0.76 C ATOM 468 CD1 LEU A 32 4.500 1.932 -6.763 1.00 2.12 C ATOM 469 CD2 LEU A 32 3.903 3.323 -4.781 1.00 2.12 C ATOM 0 H LEU A 32 3.708 6.433 -8.457 1.00 0.58 H new ATOM 0 HA LEU A 32 4.559 3.616 -8.933 1.00 0.55 H new ATOM 0 HB2 LEU A 32 4.882 4.766 -6.718 1.00 0.59 H new ATOM 0 HB3 LEU A 32 3.171 5.141 -6.686 1.00 0.59 H new ATOM 0 HG LEU A 32 2.588 2.806 -6.452 1.00 0.76 H new ATOM 0 HD11 LEU A 32 4.263 1.030 -6.198 1.00 2.12 H new ATOM 0 HD12 LEU A 32 4.310 1.757 -7.822 1.00 2.12 H new ATOM 0 HD13 LEU A 32 5.551 2.184 -6.619 1.00 2.12 H new ATOM 0 HD21 LEU A 32 3.715 2.404 -4.226 1.00 2.12 H new ATOM 0 HD22 LEU A 32 4.943 3.621 -4.648 1.00 2.12 H new ATOM 0 HD23 LEU A 32 3.249 4.111 -4.409 1.00 2.12 H new ATOM 481 N VAL A 33 2.418 2.995 -9.986 1.00 0.46 N ATOM 482 CA VAL A 33 1.213 2.695 -10.789 1.00 0.50 C ATOM 483 C VAL A 33 0.578 1.344 -10.421 1.00 0.57 C ATOM 484 O VAL A 33 -0.593 1.107 -10.706 1.00 0.71 O ATOM 485 CB VAL A 33 1.521 2.748 -12.311 1.00 0.52 C ATOM 486 CG1 VAL A 33 2.102 4.112 -12.741 1.00 0.53 C ATOM 487 CG2 VAL A 33 2.513 1.671 -12.792 1.00 0.54 C ATOM 0 H VAL A 33 3.200 2.370 -10.180 1.00 0.46 H new ATOM 0 HA VAL A 33 0.487 3.472 -10.550 1.00 0.50 H new ATOM 0 HB VAL A 33 0.549 2.570 -12.771 1.00 0.52 H new ATOM 0 HG11 VAL A 33 2.301 4.101 -13.813 1.00 0.53 H new ATOM 0 HG12 VAL A 33 1.385 4.901 -12.513 1.00 0.53 H new ATOM 0 HG13 VAL A 33 3.030 4.298 -12.201 1.00 0.53 H new ATOM 0 HG21 VAL A 33 2.674 1.777 -13.865 1.00 0.54 H new ATOM 0 HG22 VAL A 33 3.462 1.791 -12.269 1.00 0.54 H new ATOM 0 HG23 VAL A 33 2.106 0.682 -12.582 1.00 0.54 H new ATOM 497 N GLY A 34 1.354 0.451 -9.787 1.00 0.49 N ATOM 498 CA GLY A 34 0.899 -0.853 -9.305 1.00 0.52 C ATOM 499 C GLY A 34 1.805 -1.414 -8.219 1.00 0.46 C ATOM 500 O GLY A 34 2.767 -0.781 -7.788 1.00 0.45 O ATOM 0 H GLY A 34 2.340 0.625 -9.593 1.00 0.49 H new ATOM 0 HA2 GLY A 34 -0.116 -0.761 -8.917 1.00 0.52 H new ATOM 0 HA3 GLY A 34 0.859 -1.553 -10.140 1.00 0.52 H new ATOM 504 N ALA A 35 1.506 -2.645 -7.819 1.00 0.50 N ATOM 505 CA ALA A 35 2.347 -3.477 -6.969 1.00 0.46 C ATOM 506 C ALA A 35 2.357 -4.934 -7.465 1.00 0.44 C ATOM 507 O ALA A 35 1.712 -5.275 -8.458 1.00 0.51 O ATOM 508 CB ALA A 35 1.858 -3.350 -5.519 1.00 0.54 C ATOM 0 H ALA A 35 0.638 -3.108 -8.089 1.00 0.50 H new ATOM 0 HA ALA A 35 3.381 -3.136 -7.014 1.00 0.46 H new ATOM 0 HB1 ALA A 35 2.479 -3.968 -4.870 1.00 0.54 H new ATOM 0 HB2 ALA A 35 1.926 -2.309 -5.202 1.00 0.54 H new ATOM 0 HB3 ALA A 35 0.822 -3.682 -5.454 1.00 0.54 H new ATOM 514 N ARG A 36 3.070 -5.791 -6.741 1.00 0.42 N ATOM 515 CA ARG A 36 3.129 -7.248 -6.898 1.00 0.46 C ATOM 516 C ARG A 36 3.467 -7.870 -5.534 1.00 0.45 C ATOM 517 O ARG A 36 3.974 -7.172 -4.657 1.00 0.50 O ATOM 518 CB ARG A 36 4.235 -7.588 -7.910 1.00 0.64 C ATOM 519 CG ARG A 36 3.803 -8.266 -9.205 1.00 1.20 C ATOM 520 CD ARG A 36 5.113 -8.569 -9.938 1.00 2.27 C ATOM 521 NE ARG A 36 4.917 -9.361 -11.158 1.00 2.95 N ATOM 522 CZ ARG A 36 5.905 -9.961 -11.814 1.00 4.12 C ATOM 523 NH1 ARG A 36 7.152 -9.887 -11.386 1.00 4.88 N ATOM 524 NH2 ARG A 36 5.647 -10.648 -12.908 1.00 5.03 N ATOM 0 H ARG A 36 3.663 -5.469 -5.977 1.00 0.42 H new ATOM 0 HA ARG A 36 2.176 -7.638 -7.255 1.00 0.46 H new ATOM 0 HB2 ARG A 36 4.754 -6.665 -8.168 1.00 0.64 H new ATOM 0 HB3 ARG A 36 4.960 -8.234 -7.415 1.00 0.64 H new ATOM 0 HG2 ARG A 36 3.240 -9.178 -9.006 1.00 1.20 H new ATOM 0 HG3 ARG A 36 3.159 -7.616 -9.797 1.00 1.20 H new ATOM 0 HD2 ARG A 36 5.604 -7.631 -10.195 1.00 2.27 H new ATOM 0 HD3 ARG A 36 5.783 -9.106 -9.266 1.00 2.27 H new ATOM 0 HE ARG A 36 3.969 -9.456 -11.523 1.00 2.95 H new ATOM 0 HH11 ARG A 36 7.370 -9.363 -10.539 1.00 4.88 H new ATOM 0 HH12 ARG A 36 7.897 -10.354 -11.903 1.00 4.88 H new ATOM 0 HH21 ARG A 36 4.689 -10.719 -13.251 1.00 5.03 H new ATOM 0 HH22 ARG A 36 6.405 -11.109 -13.412 1.00 5.03 H new ATOM 538 N THR A 37 3.277 -9.179 -5.356 1.00 0.51 N ATOM 539 CA THR A 37 3.609 -9.920 -4.122 1.00 0.53 C ATOM 540 C THR A 37 3.500 -11.421 -4.400 1.00 0.65 C ATOM 541 O THR A 37 2.639 -11.797 -5.196 1.00 0.68 O ATOM 542 CB THR A 37 2.730 -9.456 -2.943 1.00 0.59 C ATOM 543 OG1 THR A 37 2.956 -10.284 -1.841 1.00 0.71 O ATOM 544 CG2 THR A 37 1.229 -9.494 -3.226 1.00 0.69 C ATOM 0 H THR A 37 2.878 -9.775 -6.081 1.00 0.51 H new ATOM 0 HA THR A 37 4.636 -9.709 -3.823 1.00 0.53 H new ATOM 0 HB THR A 37 3.013 -8.419 -2.761 1.00 0.59 H new ATOM 0 HG1 THR A 37 3.680 -9.912 -1.295 1.00 0.71 H new ATOM 0 HG21 THR A 37 0.684 -9.152 -2.346 1.00 0.69 H new ATOM 0 HG22 THR A 37 1.001 -8.842 -4.069 1.00 0.69 H new ATOM 0 HG23 THR A 37 0.929 -10.514 -3.465 1.00 0.69 H new ATOM 552 N PRO A 38 4.325 -12.297 -3.792 1.00 0.80 N ATOM 553 CA PRO A 38 4.264 -13.737 -4.046 1.00 0.99 C ATOM 554 C PRO A 38 3.101 -14.433 -3.327 1.00 1.07 C ATOM 555 O PRO A 38 2.828 -15.599 -3.598 1.00 1.24 O ATOM 556 CB PRO A 38 5.621 -14.263 -3.584 1.00 1.12 C ATOM 557 CG PRO A 38 6.042 -13.312 -2.468 1.00 0.99 C ATOM 558 CD PRO A 38 5.426 -11.981 -2.891 1.00 0.79 C ATOM 0 HA PRO A 38 4.072 -13.944 -5.099 1.00 0.99 H new ATOM 0 HB2 PRO A 38 5.547 -15.289 -3.224 1.00 1.12 H new ATOM 0 HB3 PRO A 38 6.345 -14.263 -4.399 1.00 1.12 H new ATOM 0 HG2 PRO A 38 5.667 -13.639 -1.498 1.00 0.99 H new ATOM 0 HG3 PRO A 38 7.127 -13.245 -2.384 1.00 0.99 H new ATOM 0 HD2 PRO A 38 5.069 -11.427 -2.023 1.00 0.79 H new ATOM 0 HD3 PRO A 38 6.165 -11.353 -3.388 1.00 0.79 H new ATOM 566 N VAL A 39 2.425 -13.730 -2.414 1.00 1.02 N ATOM 567 CA VAL A 39 1.359 -14.276 -1.562 1.00 1.12 C ATOM 568 C VAL A 39 -0.040 -13.674 -1.812 1.00 0.99 C ATOM 569 O VAL A 39 -0.914 -13.791 -0.952 1.00 1.08 O ATOM 570 CB VAL A 39 1.743 -14.177 -0.074 1.00 1.27 C ATOM 571 CG1 VAL A 39 2.979 -15.028 0.263 1.00 1.43 C ATOM 572 CG2 VAL A 39 1.952 -12.721 0.332 1.00 1.22 C ATOM 0 H VAL A 39 2.606 -12.741 -2.241 1.00 1.02 H new ATOM 0 HA VAL A 39 1.272 -15.324 -1.847 1.00 1.12 H new ATOM 0 HB VAL A 39 0.912 -14.582 0.504 1.00 1.27 H new ATOM 0 HG11 VAL A 39 3.212 -14.927 1.323 1.00 1.43 H new ATOM 0 HG12 VAL A 39 2.774 -16.074 0.035 1.00 1.43 H new ATOM 0 HG13 VAL A 39 3.828 -14.687 -0.330 1.00 1.43 H new ATOM 0 HG21 VAL A 39 2.223 -12.673 1.387 1.00 1.22 H new ATOM 0 HG22 VAL A 39 2.752 -12.287 -0.268 1.00 1.22 H new ATOM 0 HG23 VAL A 39 1.031 -12.162 0.168 1.00 1.22 H new ATOM 582 N ALA A 40 -0.297 -13.081 -2.986 1.00 0.81 N ATOM 583 CA ALA A 40 -1.656 -12.714 -3.415 1.00 0.71 C ATOM 584 C ALA A 40 -1.884 -12.906 -4.923 1.00 0.68 C ATOM 585 O ALA A 40 -0.958 -12.788 -5.716 1.00 0.88 O ATOM 586 CB ALA A 40 -1.975 -11.282 -2.961 1.00 0.68 C ATOM 0 H ALA A 40 0.427 -12.842 -3.663 1.00 0.81 H new ATOM 0 HA ALA A 40 -2.352 -13.399 -2.932 1.00 0.71 H new ATOM 0 HB1 ALA A 40 -2.982 -11.015 -3.281 1.00 0.68 H new ATOM 0 HB2 ALA A 40 -1.911 -11.222 -1.875 1.00 0.68 H new ATOM 0 HB3 ALA A 40 -1.258 -10.591 -3.405 1.00 0.68 H new ATOM 592 N GLU A 41 -3.135 -13.199 -5.294 1.00 0.74 N ATOM 593 CA GLU A 41 -3.566 -13.516 -6.664 1.00 0.93 C ATOM 594 C GLU A 41 -3.594 -12.285 -7.591 1.00 0.95 C ATOM 595 O GLU A 41 -3.419 -12.387 -8.804 1.00 1.50 O ATOM 596 CB GLU A 41 -4.987 -14.111 -6.581 1.00 0.99 C ATOM 597 CG GLU A 41 -5.272 -15.165 -7.657 1.00 1.41 C ATOM 598 CD GLU A 41 -4.536 -16.458 -7.322 1.00 2.15 C ATOM 599 OE1 GLU A 41 -4.963 -17.159 -6.379 1.00 3.51 O ATOM 600 OE2 GLU A 41 -3.453 -16.714 -7.891 1.00 2.56 O ATOM 0 H GLU A 41 -3.905 -13.223 -4.625 1.00 0.74 H new ATOM 0 HA GLU A 41 -2.847 -14.215 -7.091 1.00 0.93 H new ATOM 0 HB2 GLU A 41 -5.128 -14.560 -5.598 1.00 0.99 H new ATOM 0 HB3 GLU A 41 -5.716 -13.305 -6.671 1.00 0.99 H new ATOM 0 HG2 GLU A 41 -6.344 -15.352 -7.721 1.00 1.41 H new ATOM 0 HG3 GLU A 41 -4.954 -14.797 -8.633 1.00 1.41 H new ATOM 607 N ARG A 42 -3.865 -11.116 -7.000 1.00 0.73 N ATOM 608 CA ARG A 42 -3.933 -9.789 -7.611 1.00 0.84 C ATOM 609 C ARG A 42 -3.650 -8.754 -6.514 1.00 0.79 C ATOM 610 O ARG A 42 -3.682 -9.058 -5.322 1.00 1.15 O ATOM 611 CB ARG A 42 -5.314 -9.527 -8.254 1.00 0.92 C ATOM 612 CG ARG A 42 -5.660 -10.477 -9.409 1.00 1.54 C ATOM 613 CD ARG A 42 -6.931 -10.069 -10.151 1.00 1.71 C ATOM 614 NE ARG A 42 -7.236 -11.068 -11.191 1.00 2.83 N ATOM 615 CZ ARG A 42 -8.209 -11.022 -12.095 1.00 3.53 C ATOM 616 NH1 ARG A 42 -9.046 -10.006 -12.168 1.00 3.72 N ATOM 617 NH2 ARG A 42 -8.351 -12.010 -12.954 1.00 4.77 N ATOM 0 H ARG A 42 -4.058 -11.073 -5.999 1.00 0.73 H new ATOM 0 HA ARG A 42 -3.195 -9.718 -8.410 1.00 0.84 H new ATOM 0 HB2 ARG A 42 -6.082 -9.612 -7.486 1.00 0.92 H new ATOM 0 HB3 ARG A 42 -5.343 -8.501 -8.621 1.00 0.92 H new ATOM 0 HG2 ARG A 42 -4.828 -10.505 -10.112 1.00 1.54 H new ATOM 0 HG3 ARG A 42 -5.781 -11.487 -9.018 1.00 1.54 H new ATOM 0 HD2 ARG A 42 -7.764 -9.991 -9.452 1.00 1.71 H new ATOM 0 HD3 ARG A 42 -6.801 -9.086 -10.603 1.00 1.71 H new ATOM 0 HE ARG A 42 -6.631 -11.889 -11.220 1.00 2.83 H new ATOM 0 HH11 ARG A 42 -8.957 -9.224 -11.519 1.00 3.72 H new ATOM 0 HH12 ARG A 42 -9.782 -10.001 -12.874 1.00 3.72 H new ATOM 0 HH21 ARG A 42 -7.715 -12.807 -12.924 1.00 4.77 H new ATOM 0 HH22 ARG A 42 -9.097 -11.978 -13.649 1.00 4.77 H new ATOM 631 N VAL A 43 -3.434 -7.509 -6.917 1.00 0.53 N ATOM 632 CA VAL A 43 -3.276 -6.351 -6.033 1.00 0.46 C ATOM 633 C VAL A 43 -3.899 -5.120 -6.710 1.00 0.57 C ATOM 634 O VAL A 43 -4.042 -5.114 -7.933 1.00 0.94 O ATOM 635 CB VAL A 43 -1.795 -6.164 -5.645 1.00 0.49 C ATOM 636 CG1 VAL A 43 -0.926 -5.692 -6.818 1.00 0.66 C ATOM 637 CG2 VAL A 43 -1.587 -5.234 -4.443 1.00 0.63 C ATOM 0 H VAL A 43 -3.361 -7.264 -7.904 1.00 0.53 H new ATOM 0 HA VAL A 43 -3.806 -6.508 -5.094 1.00 0.46 H new ATOM 0 HB VAL A 43 -1.470 -7.162 -5.352 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.105 -5.578 -6.484 1.00 0.66 H new ATOM 0 HG12 VAL A 43 -0.968 -6.428 -7.621 1.00 0.66 H new ATOM 0 HG13 VAL A 43 -1.297 -4.734 -7.183 1.00 0.66 H new ATOM 0 HG21 VAL A 43 -0.522 -5.150 -4.228 1.00 0.63 H new ATOM 0 HG22 VAL A 43 -1.990 -4.247 -4.672 1.00 0.63 H new ATOM 0 HG23 VAL A 43 -2.101 -5.643 -3.573 1.00 0.63 H new ATOM 647 N GLU A 44 -4.316 -4.137 -5.915 1.00 0.47 N ATOM 648 CA GLU A 44 -5.184 -3.021 -6.307 1.00 0.45 C ATOM 649 C GLU A 44 -4.811 -1.786 -5.464 1.00 0.40 C ATOM 650 O GLU A 44 -4.370 -1.948 -4.324 1.00 0.51 O ATOM 651 CB GLU A 44 -6.649 -3.476 -6.099 1.00 0.74 C ATOM 652 CG GLU A 44 -7.582 -3.165 -7.271 1.00 1.08 C ATOM 653 CD GLU A 44 -8.132 -1.755 -7.156 1.00 2.50 C ATOM 654 OE1 GLU A 44 -7.353 -0.816 -7.412 1.00 4.06 O ATOM 655 OE2 GLU A 44 -9.302 -1.635 -6.723 1.00 3.04 O ATOM 0 H GLU A 44 -4.047 -4.092 -4.932 1.00 0.47 H new ATOM 0 HA GLU A 44 -5.060 -2.742 -7.353 1.00 0.45 H new ATOM 0 HB2 GLU A 44 -6.660 -4.551 -5.917 1.00 0.74 H new ATOM 0 HB3 GLU A 44 -7.041 -2.997 -5.202 1.00 0.74 H new ATOM 0 HG2 GLU A 44 -7.042 -3.275 -8.212 1.00 1.08 H new ATOM 0 HG3 GLU A 44 -8.403 -3.881 -7.289 1.00 1.08 H new ATOM 662 N LEU A 45 -4.907 -0.564 -6.006 1.00 0.54 N ATOM 663 CA LEU A 45 -4.283 0.630 -5.417 1.00 0.47 C ATOM 664 C LEU A 45 -5.334 1.613 -4.914 1.00 0.37 C ATOM 665 O LEU A 45 -6.017 2.276 -5.696 1.00 0.48 O ATOM 666 CB LEU A 45 -3.357 1.286 -6.457 1.00 0.75 C ATOM 667 CG LEU A 45 -2.718 2.612 -5.990 1.00 0.54 C ATOM 668 CD1 LEU A 45 -1.838 2.504 -4.741 1.00 0.64 C ATOM 669 CD2 LEU A 45 -1.859 3.161 -7.135 1.00 0.89 C ATOM 0 H LEU A 45 -5.420 -0.375 -6.867 1.00 0.54 H new ATOM 0 HA LEU A 45 -3.690 0.330 -4.553 1.00 0.47 H new ATOM 0 HB2 LEU A 45 -2.564 0.584 -6.714 1.00 0.75 H new ATOM 0 HB3 LEU A 45 -3.926 1.471 -7.368 1.00 0.75 H new ATOM 0 HG LEU A 45 -3.546 3.268 -5.721 1.00 0.54 H new ATOM 0 HD11 LEU A 45 -1.436 3.486 -4.493 1.00 0.64 H new ATOM 0 HD12 LEU A 45 -2.434 2.135 -3.907 1.00 0.64 H new ATOM 0 HD13 LEU A 45 -1.017 1.814 -4.933 1.00 0.64 H new ATOM 0 HD21 LEU A 45 -1.397 4.099 -6.826 1.00 0.89 H new ATOM 0 HD22 LEU A 45 -1.082 2.439 -7.385 1.00 0.89 H new ATOM 0 HD23 LEU A 45 -2.486 3.336 -8.009 1.00 0.89 H new ATOM 681 N HIS A 46 -5.441 1.756 -3.595 1.00 0.37 N ATOM 682 CA HIS A 46 -6.486 2.547 -2.954 1.00 0.39 C ATOM 683 C HIS A 46 -5.959 3.751 -2.166 1.00 0.44 C ATOM 684 O HIS A 46 -4.903 3.719 -1.528 1.00 0.49 O ATOM 685 CB HIS A 46 -7.294 1.636 -2.020 1.00 0.41 C ATOM 686 CG HIS A 46 -8.030 0.480 -2.647 1.00 0.42 C ATOM 687 ND1 HIS A 46 -8.640 -0.537 -1.928 1.00 0.49 N ATOM 688 CD2 HIS A 46 -8.219 0.213 -3.972 1.00 0.42 C ATOM 689 CE1 HIS A 46 -9.176 -1.385 -2.811 1.00 0.50 C ATOM 690 NE2 HIS A 46 -8.957 -0.944 -4.059 1.00 0.46 N ATOM 0 H HIS A 46 -4.797 1.321 -2.935 1.00 0.37 H new ATOM 0 HA HIS A 46 -7.108 2.955 -3.751 1.00 0.39 H new ATOM 0 HB2 HIS A 46 -6.614 1.235 -1.269 1.00 0.41 H new ATOM 0 HB3 HIS A 46 -8.022 2.253 -1.494 1.00 0.41 H new ATOM 0 HD2 HIS A 46 -7.855 0.803 -4.801 1.00 0.42 H new ATOM 0 HE1 HIS A 46 -9.707 -2.291 -2.558 1.00 0.50 H new ATOM 0 HE2 HIS A 46 -9.280 -1.388 -4.919 1.00 0.46 H new ATOM 698 N GLU A 47 -6.801 4.775 -2.120 1.00 0.49 N ATOM 699 CA GLU A 47 -6.762 5.826 -1.113 1.00 0.56 C ATOM 700 C GLU A 47 -7.671 5.483 0.084 1.00 0.66 C ATOM 701 O GLU A 47 -8.310 4.425 0.139 1.00 0.92 O ATOM 702 CB GLU A 47 -7.110 7.169 -1.756 1.00 0.50 C ATOM 703 CG GLU A 47 -8.588 7.309 -2.110 1.00 0.56 C ATOM 704 CD GLU A 47 -8.955 8.754 -2.399 1.00 1.01 C ATOM 705 OE1 GLU A 47 -8.276 9.403 -3.216 1.00 2.15 O ATOM 706 OE2 GLU A 47 -10.027 9.184 -1.919 1.00 1.71 O ATOM 0 H GLU A 47 -7.550 4.900 -2.801 1.00 0.49 H new ATOM 0 HA GLU A 47 -5.752 5.905 -0.711 1.00 0.56 H new ATOM 0 HB2 GLU A 47 -6.830 7.973 -1.075 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -6.514 7.295 -2.660 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -8.815 6.693 -2.981 1.00 0.56 H new ATOM 0 HG3 GLU A 47 -9.198 6.935 -1.287 1.00 0.56 H new ATOM 713 N THR A 48 -7.755 6.382 1.066 1.00 0.64 N ATOM 714 CA THR A 48 -8.647 6.290 2.228 1.00 0.67 C ATOM 715 C THR A 48 -8.991 7.727 2.612 1.00 0.62 C ATOM 716 O THR A 48 -8.082 8.539 2.752 1.00 0.70 O ATOM 717 CB THR A 48 -7.922 5.549 3.354 1.00 0.86 C ATOM 718 OG1 THR A 48 -7.579 4.279 2.849 1.00 1.03 O ATOM 719 CG2 THR A 48 -8.778 5.356 4.604 1.00 0.97 C ATOM 0 H THR A 48 -7.183 7.227 1.076 1.00 0.64 H new ATOM 0 HA THR A 48 -9.561 5.735 2.019 1.00 0.67 H new ATOM 0 HB THR A 48 -7.059 6.142 3.655 1.00 0.86 H new ATOM 0 HG1 THR A 48 -8.251 3.994 2.195 1.00 1.03 H new ATOM 0 HG21 THR A 48 -8.202 4.824 5.361 1.00 0.97 H new ATOM 0 HG22 THR A 48 -9.078 6.329 4.993 1.00 0.97 H new ATOM 0 HG23 THR A 48 -9.666 4.777 4.351 1.00 0.97 H new ATOM 727 N PHE A 49 -10.278 8.053 2.737 1.00 0.57 N ATOM 728 CA PHE A 49 -10.757 9.433 2.843 1.00 0.57 C ATOM 729 C PHE A 49 -11.683 9.661 4.039 1.00 0.70 C ATOM 730 O PHE A 49 -12.154 8.725 4.687 1.00 0.82 O ATOM 731 CB PHE A 49 -11.426 9.850 1.518 1.00 0.54 C ATOM 732 CG PHE A 49 -12.644 9.046 1.081 1.00 0.63 C ATOM 733 CD1 PHE A 49 -13.892 9.288 1.681 1.00 1.97 C ATOM 734 CD2 PHE A 49 -12.555 8.100 0.037 1.00 1.86 C ATOM 735 CE1 PHE A 49 -15.038 8.597 1.251 1.00 2.09 C ATOM 736 CE2 PHE A 49 -13.706 7.423 -0.409 1.00 1.89 C ATOM 737 CZ PHE A 49 -14.951 7.675 0.197 1.00 0.99 C ATOM 0 H PHE A 49 -11.025 7.360 2.768 1.00 0.57 H new ATOM 0 HA PHE A 49 -9.891 10.069 3.025 1.00 0.57 H new ATOM 0 HB2 PHE A 49 -11.721 10.896 1.601 1.00 0.54 H new ATOM 0 HB3 PHE A 49 -10.679 9.792 0.727 1.00 0.54 H new ATOM 0 HD1 PHE A 49 -13.971 10.011 2.479 1.00 1.97 H new ATOM 0 HD2 PHE A 49 -11.599 7.895 -0.422 1.00 1.86 H new ATOM 0 HE1 PHE A 49 -15.988 8.776 1.733 1.00 2.09 H new ATOM 0 HE2 PHE A 49 -13.634 6.710 -1.217 1.00 1.89 H new ATOM 0 HZ PHE A 49 -15.836 7.161 -0.148 1.00 0.99 H new ATOM 747 N MET A 50 -11.983 10.933 4.301 1.00 0.76 N ATOM 748 CA MET A 50 -12.989 11.404 5.253 1.00 0.90 C ATOM 749 C MET A 50 -14.229 11.933 4.515 1.00 0.79 C ATOM 750 O MET A 50 -14.122 12.505 3.432 1.00 0.66 O ATOM 751 CB MET A 50 -12.378 12.443 6.203 1.00 1.04 C ATOM 752 CG MET A 50 -11.881 13.716 5.510 1.00 2.78 C ATOM 753 SD MET A 50 -10.293 13.587 4.647 1.00 4.81 S ATOM 754 CE MET A 50 -10.256 15.224 3.871 1.00 5.58 C ATOM 0 H MET A 50 -11.506 11.702 3.831 1.00 0.76 H new ATOM 0 HA MET A 50 -13.323 10.567 5.866 1.00 0.90 H new ATOM 0 HB2 MET A 50 -13.123 12.717 6.950 1.00 1.04 H new ATOM 0 HB3 MET A 50 -11.545 11.985 6.736 1.00 1.04 H new ATOM 0 HG2 MET A 50 -12.637 14.033 4.791 1.00 2.78 H new ATOM 0 HG3 MET A 50 -11.802 14.505 6.258 1.00 2.78 H new ATOM 0 HE1 MET A 50 -9.340 15.331 3.290 1.00 5.58 H new ATOM 0 HE2 MET A 50 -11.118 15.334 3.213 1.00 5.58 H new ATOM 0 HE3 MET A 50 -10.288 15.993 4.643 1.00 5.58 H new ATOM 764 N ARG A 51 -15.422 11.728 5.082 1.00 0.97 N ATOM 765 CA ARG A 51 -16.696 12.045 4.415 1.00 0.95 C ATOM 766 C ARG A 51 -17.841 12.275 5.401 1.00 0.98 C ATOM 767 O ARG A 51 -17.926 11.613 6.430 1.00 1.03 O ATOM 768 CB ARG A 51 -17.060 10.909 3.436 1.00 1.22 C ATOM 769 CG ARG A 51 -17.282 11.394 1.992 1.00 1.36 C ATOM 770 CD ARG A 51 -18.745 11.764 1.778 1.00 1.98 C ATOM 771 NE ARG A 51 -18.946 12.511 0.532 1.00 3.10 N ATOM 772 CZ ARG A 51 -19.951 13.356 0.307 1.00 4.17 C ATOM 773 NH1 ARG A 51 -20.917 13.549 1.183 1.00 4.49 N ATOM 774 NH2 ARG A 51 -19.996 14.031 -0.818 1.00 5.43 N ATOM 0 H ARG A 51 -15.535 11.337 6.017 1.00 0.97 H new ATOM 0 HA ARG A 51 -16.556 12.981 3.873 1.00 0.95 H new ATOM 0 HB2 ARG A 51 -16.264 10.164 3.443 1.00 1.22 H new ATOM 0 HB3 ARG A 51 -17.964 10.412 3.788 1.00 1.22 H new ATOM 0 HG2 ARG A 51 -16.648 12.257 1.789 1.00 1.36 H new ATOM 0 HG3 ARG A 51 -16.991 10.613 1.290 1.00 1.36 H new ATOM 0 HD2 ARG A 51 -19.349 10.857 1.758 1.00 1.98 H new ATOM 0 HD3 ARG A 51 -19.095 12.362 2.620 1.00 1.98 H new ATOM 0 HE ARG A 51 -18.267 12.374 -0.217 1.00 3.10 H new ATOM 0 HH11 ARG A 51 -20.911 13.043 2.069 1.00 4.49 H new ATOM 0 HH12 ARG A 51 -21.670 14.205 0.975 1.00 4.49 H new ATOM 0 HH21 ARG A 51 -19.263 13.908 -1.516 1.00 5.43 H new ATOM 0 HH22 ARG A 51 -20.764 14.679 -0.994 1.00 5.43 H new ATOM 788 N GLU A 52 -18.772 13.157 5.060 1.00 1.06 N ATOM 789 CA GLU A 52 -20.061 13.304 5.696 1.00 1.18 C ATOM 790 C GLU A 52 -21.102 12.435 4.972 1.00 1.49 C ATOM 791 O GLU A 52 -21.180 12.486 3.743 1.00 1.62 O ATOM 792 CB GLU A 52 -20.430 14.781 5.563 1.00 1.33 C ATOM 793 CG GLU A 52 -21.306 15.213 6.719 1.00 1.47 C ATOM 794 CD GLU A 52 -20.510 15.472 8.000 1.00 1.63 C ATOM 795 OE1 GLU A 52 -19.406 16.056 7.945 1.00 2.30 O ATOM 796 OE2 GLU A 52 -20.966 15.070 9.088 1.00 2.30 O ATOM 0 H GLU A 52 -18.635 13.818 4.295 1.00 1.06 H new ATOM 0 HA GLU A 52 -20.033 12.991 6.740 1.00 1.18 H new ATOM 0 HB2 GLU A 52 -19.525 15.388 5.538 1.00 1.33 H new ATOM 0 HB3 GLU A 52 -20.952 14.948 4.621 1.00 1.33 H new ATOM 0 HG2 GLU A 52 -21.845 16.119 6.442 1.00 1.47 H new ATOM 0 HG3 GLU A 52 -22.054 14.443 6.910 1.00 1.47 H new ATOM 803 N VAL A 53 -21.902 11.669 5.707 1.00 1.75 N ATOM 804 CA VAL A 53 -23.017 10.859 5.199 1.00 2.28 C ATOM 805 C VAL A 53 -24.120 10.928 6.255 1.00 2.54 C ATOM 806 O VAL A 53 -23.833 10.770 7.438 1.00 2.81 O ATOM 807 CB VAL A 53 -22.598 9.385 4.957 1.00 2.59 C ATOM 808 CG1 VAL A 53 -23.778 8.563 4.407 1.00 2.85 C ATOM 809 CG2 VAL A 53 -21.424 9.265 3.967 1.00 3.03 C ATOM 0 H VAL A 53 -21.791 11.589 6.718 1.00 1.75 H new ATOM 0 HA VAL A 53 -23.353 11.245 4.237 1.00 2.28 H new ATOM 0 HB VAL A 53 -22.283 8.997 5.926 1.00 2.59 H new ATOM 0 HG11 VAL A 53 -23.460 7.533 4.245 1.00 2.85 H new ATOM 0 HG12 VAL A 53 -24.599 8.581 5.124 1.00 2.85 H new ATOM 0 HG13 VAL A 53 -24.111 8.992 3.462 1.00 2.85 H new ATOM 0 HG21 VAL A 53 -21.168 8.214 3.831 1.00 3.03 H new ATOM 0 HG22 VAL A 53 -21.712 9.695 3.008 1.00 3.03 H new ATOM 0 HG23 VAL A 53 -20.560 9.801 4.361 1.00 3.03 H new ATOM 819 N GLU A 54 -25.359 11.234 5.848 1.00 2.82 N ATOM 820 CA GLU A 54 -26.517 11.346 6.757 1.00 3.11 C ATOM 821 C GLU A 54 -26.341 12.487 7.796 1.00 2.78 C ATOM 822 O GLU A 54 -26.817 12.395 8.925 1.00 2.93 O ATOM 823 CB GLU A 54 -26.771 9.986 7.437 1.00 3.40 C ATOM 824 CG GLU A 54 -28.232 9.767 7.866 1.00 3.59 C ATOM 825 CD GLU A 54 -28.308 8.809 9.054 1.00 4.22 C ATOM 826 OE1 GLU A 54 -27.539 7.819 9.088 1.00 4.95 O ATOM 827 OE2 GLU A 54 -28.994 9.125 10.050 1.00 4.62 O ATOM 0 H GLU A 54 -25.592 11.413 4.871 1.00 2.82 H new ATOM 0 HA GLU A 54 -27.393 11.613 6.166 1.00 3.11 H new ATOM 0 HB2 GLU A 54 -26.480 9.189 6.753 1.00 3.40 H new ATOM 0 HB3 GLU A 54 -26.129 9.904 8.314 1.00 3.40 H new ATOM 0 HG2 GLU A 54 -28.685 10.722 8.133 1.00 3.59 H new ATOM 0 HG3 GLU A 54 -28.805 9.365 7.031 1.00 3.59 H new ATOM 834 N GLY A 55 -25.575 13.536 7.452 1.00 2.43 N ATOM 835 CA GLY A 55 -25.251 14.639 8.373 1.00 2.19 C ATOM 836 C GLY A 55 -24.221 14.269 9.448 1.00 1.61 C ATOM 837 O GLY A 55 -24.101 14.970 10.450 1.00 1.65 O ATOM 0 H GLY A 55 -25.162 13.643 6.525 1.00 2.43 H new ATOM 0 HA2 GLY A 55 -24.872 15.482 7.795 1.00 2.19 H new ATOM 0 HA3 GLY A 55 -26.167 14.973 8.861 1.00 2.19 H new ATOM 841 N LYS A 56 -23.497 13.160 9.259 1.00 1.37 N ATOM 842 CA LYS A 56 -22.565 12.573 10.213 1.00 1.21 C ATOM 843 C LYS A 56 -21.269 12.172 9.497 1.00 1.12 C ATOM 844 O LYS A 56 -21.250 11.590 8.410 1.00 1.20 O ATOM 845 CB LYS A 56 -23.224 11.360 10.893 1.00 1.64 C ATOM 846 CG LYS A 56 -24.445 11.750 11.752 1.00 2.01 C ATOM 847 CD LYS A 56 -25.235 10.545 12.281 1.00 2.43 C ATOM 848 CE LYS A 56 -25.793 9.735 11.105 1.00 2.86 C ATOM 849 NZ LYS A 56 -26.765 8.704 11.526 1.00 3.71 N ATOM 0 H LYS A 56 -23.552 12.625 8.392 1.00 1.37 H new ATOM 0 HA LYS A 56 -22.313 13.304 10.981 1.00 1.21 H new ATOM 0 HB2 LYS A 56 -23.534 10.645 10.131 1.00 1.64 H new ATOM 0 HB3 LYS A 56 -22.489 10.857 11.521 1.00 1.64 H new ATOM 0 HG2 LYS A 56 -24.108 12.351 12.596 1.00 2.01 H new ATOM 0 HG3 LYS A 56 -25.110 12.378 11.159 1.00 2.01 H new ATOM 0 HD2 LYS A 56 -24.590 9.916 12.894 1.00 2.43 H new ATOM 0 HD3 LYS A 56 -26.050 10.885 12.920 1.00 2.43 H new ATOM 0 HE2 LYS A 56 -26.273 10.413 10.399 1.00 2.86 H new ATOM 0 HE3 LYS A 56 -24.969 9.256 10.577 1.00 2.86 H new ATOM 0 HZ1 LYS A 56 -26.764 7.925 10.838 1.00 3.71 H new ATOM 0 HZ2 LYS A 56 -26.500 8.339 12.463 1.00 3.71 H new ATOM 0 HZ3 LYS A 56 -27.716 9.122 11.574 1.00 3.71 H new ATOM 863 N LYS A 57 -20.152 12.518 10.114 1.00 1.10 N ATOM 864 CA LYS A 57 -18.804 12.360 9.577 1.00 1.04 C ATOM 865 C LYS A 57 -18.222 10.976 9.886 1.00 1.31 C ATOM 866 O LYS A 57 -18.194 10.542 11.033 1.00 1.60 O ATOM 867 CB LYS A 57 -17.919 13.545 10.001 1.00 1.18 C ATOM 868 CG LYS A 57 -17.886 13.886 11.503 1.00 1.78 C ATOM 869 CD LYS A 57 -17.402 15.327 11.741 1.00 2.26 C ATOM 870 CE LYS A 57 -18.527 16.379 11.848 1.00 2.39 C ATOM 871 NZ LYS A 57 -19.345 16.546 10.617 1.00 2.64 N ATOM 0 H LYS A 57 -20.156 12.936 11.045 1.00 1.10 H new ATOM 0 HA LYS A 57 -18.844 12.391 8.488 1.00 1.04 H new ATOM 0 HB2 LYS A 57 -16.899 13.340 9.677 1.00 1.18 H new ATOM 0 HB3 LYS A 57 -18.254 14.430 9.459 1.00 1.18 H new ATOM 0 HG2 LYS A 57 -18.882 13.760 11.928 1.00 1.78 H new ATOM 0 HG3 LYS A 57 -17.228 13.189 12.022 1.00 1.78 H new ATOM 0 HD2 LYS A 57 -16.813 15.351 12.658 1.00 2.26 H new ATOM 0 HD3 LYS A 57 -16.735 15.610 10.927 1.00 2.26 H new ATOM 0 HE2 LYS A 57 -19.187 16.103 12.671 1.00 2.39 H new ATOM 0 HE3 LYS A 57 -18.083 17.341 12.105 1.00 2.39 H new ATOM 0 HZ1 LYS A 57 -19.856 17.451 10.660 1.00 2.64 H new ATOM 0 HZ2 LYS A 57 -18.723 16.539 9.783 1.00 2.64 H new ATOM 0 HZ3 LYS A 57 -20.028 15.765 10.546 1.00 2.64 H new ATOM 885 N VAL A 58 -17.779 10.305 8.832 1.00 1.33 N ATOM 886 CA VAL A 58 -17.269 8.939 8.746 1.00 1.64 C ATOM 887 C VAL A 58 -16.007 8.913 7.862 1.00 1.69 C ATOM 888 O VAL A 58 -15.581 9.953 7.358 1.00 1.94 O ATOM 889 CB VAL A 58 -18.363 8.013 8.164 1.00 1.82 C ATOM 890 CG1 VAL A 58 -19.523 7.823 9.156 1.00 2.74 C ATOM 891 CG2 VAL A 58 -18.920 8.487 6.807 1.00 2.29 C ATOM 0 H VAL A 58 -17.766 10.752 7.915 1.00 1.33 H new ATOM 0 HA VAL A 58 -17.004 8.582 9.741 1.00 1.64 H new ATOM 0 HB VAL A 58 -17.865 7.059 7.992 1.00 1.82 H new ATOM 0 HG11 VAL A 58 -20.274 7.167 8.716 1.00 2.74 H new ATOM 0 HG12 VAL A 58 -19.146 7.376 10.076 1.00 2.74 H new ATOM 0 HG13 VAL A 58 -19.972 8.790 9.380 1.00 2.74 H new ATOM 0 HG21 VAL A 58 -19.682 7.788 6.462 1.00 2.29 H new ATOM 0 HG22 VAL A 58 -19.361 9.477 6.921 1.00 2.29 H new ATOM 0 HG23 VAL A 58 -18.112 8.531 6.077 1.00 2.29 H new ATOM 901 N MET A 59 -15.413 7.734 7.653 1.00 1.48 N ATOM 902 CA MET A 59 -14.364 7.513 6.646 1.00 1.29 C ATOM 903 C MET A 59 -14.853 6.635 5.490 1.00 1.22 C ATOM 904 O MET A 59 -15.939 6.060 5.546 1.00 1.37 O ATOM 905 CB MET A 59 -13.107 6.910 7.287 1.00 1.37 C ATOM 906 CG MET A 59 -12.393 7.938 8.173 1.00 1.50 C ATOM 907 SD MET A 59 -10.750 7.429 8.740 1.00 2.97 S ATOM 908 CE MET A 59 -11.192 6.038 9.810 1.00 3.48 C ATOM 0 H MET A 59 -15.648 6.895 8.183 1.00 1.48 H new ATOM 0 HA MET A 59 -14.109 8.488 6.231 1.00 1.29 H new ATOM 0 HB2 MET A 59 -13.381 6.039 7.883 1.00 1.37 H new ATOM 0 HB3 MET A 59 -12.428 6.563 6.508 1.00 1.37 H new ATOM 0 HG2 MET A 59 -12.299 8.873 7.620 1.00 1.50 H new ATOM 0 HG3 MET A 59 -13.016 8.144 9.043 1.00 1.50 H new ATOM 0 HE1 MET A 59 -10.298 5.665 10.310 1.00 3.48 H new ATOM 0 HE2 MET A 59 -11.914 6.368 10.556 1.00 3.48 H new ATOM 0 HE3 MET A 59 -11.630 5.241 9.209 1.00 3.48 H new ATOM 918 N GLY A 60 -14.042 6.553 4.437 1.00 1.04 N ATOM 919 CA GLY A 60 -14.276 5.763 3.232 1.00 0.99 C ATOM 920 C GLY A 60 -12.974 5.390 2.524 1.00 0.82 C ATOM 921 O GLY A 60 -11.882 5.651 3.019 1.00 0.83 O ATOM 0 H GLY A 60 -13.159 7.062 4.400 1.00 1.04 H new ATOM 0 HA2 GLY A 60 -14.818 4.854 3.495 1.00 0.99 H new ATOM 0 HA3 GLY A 60 -14.911 6.326 2.548 1.00 0.99 H new ATOM 925 N MET A 61 -13.082 4.729 1.375 1.00 0.75 N ATOM 926 CA MET A 61 -11.967 4.200 0.588 1.00 0.64 C ATOM 927 C MET A 61 -12.408 4.097 -0.877 1.00 0.61 C ATOM 928 O MET A 61 -13.586 3.875 -1.149 1.00 0.71 O ATOM 929 CB MET A 61 -11.592 2.838 1.202 1.00 0.68 C ATOM 930 CG MET A 61 -10.652 1.955 0.374 1.00 0.67 C ATOM 931 SD MET A 61 -10.577 0.177 0.818 1.00 0.60 S ATOM 932 CE MET A 61 -10.881 0.191 2.602 1.00 1.18 C ATOM 0 H MET A 61 -13.988 4.538 0.946 1.00 0.75 H new ATOM 0 HA MET A 61 -11.088 4.844 0.609 1.00 0.64 H new ATOM 0 HB2 MET A 61 -11.128 3.016 2.172 1.00 0.68 H new ATOM 0 HB3 MET A 61 -12.511 2.281 1.386 1.00 0.68 H new ATOM 0 HG2 MET A 61 -10.949 2.031 -0.672 1.00 0.67 H new ATOM 0 HG3 MET A 61 -9.645 2.366 0.450 1.00 0.67 H new ATOM 0 HE1 MET A 61 -10.737 -0.812 3.004 1.00 1.18 H new ATOM 0 HE2 MET A 61 -10.186 0.878 3.084 1.00 1.18 H new ATOM 0 HE3 MET A 61 -11.904 0.515 2.794 1.00 1.18 H new ATOM 942 N ARG A 62 -11.468 4.249 -1.813 1.00 0.52 N ATOM 943 CA ARG A 62 -11.688 4.096 -3.258 1.00 0.50 C ATOM 944 C ARG A 62 -10.356 3.812 -3.974 1.00 0.44 C ATOM 945 O ARG A 62 -9.307 4.156 -3.416 1.00 0.44 O ATOM 946 CB ARG A 62 -12.407 5.340 -3.835 1.00 0.58 C ATOM 947 CG ARG A 62 -11.560 6.616 -3.791 1.00 1.64 C ATOM 948 CD ARG A 62 -12.286 7.827 -4.381 1.00 1.90 C ATOM 949 NE ARG A 62 -11.421 9.008 -4.288 1.00 2.94 N ATOM 950 CZ ARG A 62 -10.945 9.786 -5.248 1.00 3.83 C ATOM 951 NH1 ARG A 62 -11.415 9.777 -6.481 1.00 3.92 N ATOM 952 NH2 ARG A 62 -9.952 10.587 -4.956 1.00 4.82 N ATOM 0 H ARG A 62 -10.504 4.489 -1.582 1.00 0.52 H new ATOM 0 HA ARG A 62 -12.340 3.240 -3.430 1.00 0.50 H new ATOM 0 HB2 ARG A 62 -12.691 5.138 -4.868 1.00 0.58 H new ATOM 0 HB3 ARG A 62 -13.329 5.507 -3.278 1.00 0.58 H new ATOM 0 HG2 ARG A 62 -11.286 6.830 -2.758 1.00 1.64 H new ATOM 0 HG3 ARG A 62 -10.633 6.451 -4.339 1.00 1.64 H new ATOM 0 HD2 ARG A 62 -12.548 7.636 -5.422 1.00 1.90 H new ATOM 0 HD3 ARG A 62 -13.218 8.003 -3.844 1.00 1.90 H new ATOM 0 HE ARG A 62 -11.145 9.269 -3.342 1.00 2.94 H new ATOM 0 HH11 ARG A 62 -12.180 9.150 -6.731 1.00 3.92 H new ATOM 0 HH12 ARG A 62 -11.013 10.397 -7.185 1.00 3.92 H new ATOM 0 HH21 ARG A 62 -9.567 10.599 -4.011 1.00 4.82 H new ATOM 0 HH22 ARG A 62 -9.563 11.199 -5.673 1.00 4.82 H new ATOM 966 N PRO A 63 -10.371 3.190 -5.168 1.00 0.44 N ATOM 967 CA PRO A 63 -9.166 3.003 -5.952 1.00 0.42 C ATOM 968 C PRO A 63 -8.710 4.307 -6.604 1.00 0.42 C ATOM 969 O PRO A 63 -9.505 5.229 -6.796 1.00 0.47 O ATOM 970 CB PRO A 63 -9.499 1.925 -6.976 1.00 0.45 C ATOM 971 CG PRO A 63 -10.988 2.153 -7.230 1.00 0.48 C ATOM 972 CD PRO A 63 -11.501 2.566 -5.847 1.00 0.50 C ATOM 0 HA PRO A 63 -8.327 2.696 -5.328 1.00 0.42 H new ATOM 0 HB2 PRO A 63 -8.911 2.036 -7.887 1.00 0.45 H new ATOM 0 HB3 PRO A 63 -9.302 0.925 -6.590 1.00 0.45 H new ATOM 0 HG2 PRO A 63 -11.158 2.931 -7.975 1.00 0.48 H new ATOM 0 HG3 PRO A 63 -11.481 1.251 -7.593 1.00 0.48 H new ATOM 0 HD2 PRO A 63 -12.337 3.261 -5.932 1.00 0.50 H new ATOM 0 HD3 PRO A 63 -11.861 1.701 -5.290 1.00 0.50 H new ATOM 980 N VAL A 64 -7.420 4.352 -6.946 1.00 0.39 N ATOM 981 CA VAL A 64 -6.754 5.454 -7.656 1.00 0.37 C ATOM 982 C VAL A 64 -5.803 4.867 -8.720 1.00 0.38 C ATOM 983 O VAL A 64 -5.308 3.756 -8.527 1.00 0.36 O ATOM 984 CB VAL A 64 -6.014 6.416 -6.691 1.00 0.42 C ATOM 985 CG1 VAL A 64 -6.991 7.125 -5.739 1.00 0.50 C ATOM 986 CG2 VAL A 64 -4.900 5.747 -5.870 1.00 0.67 C ATOM 0 H VAL A 64 -6.780 3.588 -6.727 1.00 0.39 H new ATOM 0 HA VAL A 64 -7.515 6.059 -8.150 1.00 0.37 H new ATOM 0 HB VAL A 64 -5.537 7.147 -7.344 1.00 0.42 H new ATOM 0 HG11 VAL A 64 -6.436 7.791 -5.078 1.00 0.50 H new ATOM 0 HG12 VAL A 64 -7.708 7.705 -6.320 1.00 0.50 H new ATOM 0 HG13 VAL A 64 -7.522 6.382 -5.144 1.00 0.50 H new ATOM 0 HG21 VAL A 64 -4.432 6.487 -5.221 1.00 0.67 H new ATOM 0 HG22 VAL A 64 -5.325 4.948 -5.262 1.00 0.67 H new ATOM 0 HG23 VAL A 64 -4.151 5.331 -6.544 1.00 0.67 H new ATOM 996 N PRO A 65 -5.559 5.561 -9.852 1.00 0.50 N ATOM 997 CA PRO A 65 -4.895 4.980 -11.025 1.00 0.60 C ATOM 998 C PRO A 65 -3.375 4.881 -10.865 1.00 0.63 C ATOM 999 O PRO A 65 -2.747 4.103 -11.574 1.00 0.67 O ATOM 1000 CB PRO A 65 -5.284 5.898 -12.185 1.00 0.72 C ATOM 1001 CG PRO A 65 -5.416 7.267 -11.521 1.00 0.71 C ATOM 1002 CD PRO A 65 -5.976 6.925 -10.140 1.00 0.58 C ATOM 0 HA PRO A 65 -5.211 3.949 -11.186 1.00 0.60 H new ATOM 0 HB2 PRO A 65 -4.525 5.902 -12.967 1.00 0.72 H new ATOM 0 HB3 PRO A 65 -6.219 5.585 -12.650 1.00 0.72 H new ATOM 0 HG2 PRO A 65 -4.455 7.777 -11.452 1.00 0.71 H new ATOM 0 HG3 PRO A 65 -6.086 7.923 -12.077 1.00 0.71 H new ATOM 0 HD2 PRO A 65 -5.596 7.614 -9.386 1.00 0.58 H new ATOM 0 HD3 PRO A 65 -7.063 7.009 -10.130 1.00 0.58 H new ATOM 1010 N PHE A 66 -2.805 5.667 -9.946 1.00 0.62 N ATOM 1011 CA PHE A 66 -1.383 5.757 -9.602 1.00 0.64 C ATOM 1012 C PHE A 66 -1.171 6.809 -8.507 1.00 0.70 C ATOM 1013 O PHE A 66 -2.046 7.641 -8.256 1.00 0.76 O ATOM 1014 CB PHE A 66 -0.510 6.081 -10.831 1.00 0.72 C ATOM 1015 CG PHE A 66 -0.795 7.426 -11.457 1.00 0.83 C ATOM 1016 CD1 PHE A 66 -0.124 8.560 -10.971 1.00 1.35 C ATOM 1017 CD2 PHE A 66 -1.760 7.555 -12.469 1.00 2.21 C ATOM 1018 CE1 PHE A 66 -0.443 9.833 -11.457 1.00 1.35 C ATOM 1019 CE2 PHE A 66 -2.057 8.832 -12.987 1.00 2.29 C ATOM 1020 CZ PHE A 66 -1.402 9.971 -12.476 1.00 1.02 C ATOM 0 H PHE A 66 -3.367 6.304 -9.382 1.00 0.62 H new ATOM 0 HA PHE A 66 -1.072 4.780 -9.231 1.00 0.64 H new ATOM 0 HB2 PHE A 66 0.539 6.045 -10.537 1.00 0.72 H new ATOM 0 HB3 PHE A 66 -0.658 5.305 -11.582 1.00 0.72 H new ATOM 0 HD1 PHE A 66 0.642 8.449 -10.218 1.00 1.35 H new ATOM 0 HD2 PHE A 66 -2.271 6.682 -12.848 1.00 2.21 H new ATOM 0 HE1 PHE A 66 0.046 10.706 -11.051 1.00 1.35 H new ATOM 0 HE2 PHE A 66 -2.787 8.938 -13.776 1.00 2.29 H new ATOM 0 HZ PHE A 66 -1.637 10.950 -12.867 1.00 1.02 H new ATOM 1030 N LEU A 67 0.027 6.819 -7.917 1.00 0.73 N ATOM 1031 CA LEU A 67 0.544 7.902 -7.079 1.00 0.81 C ATOM 1032 C LEU A 67 1.740 8.571 -7.761 1.00 0.86 C ATOM 1033 O LEU A 67 2.471 7.917 -8.502 1.00 0.78 O ATOM 1034 CB LEU A 67 0.987 7.363 -5.709 1.00 0.81 C ATOM 1035 CG LEU A 67 -0.027 6.498 -4.941 1.00 0.78 C ATOM 1036 CD1 LEU A 67 0.552 6.222 -3.551 1.00 0.83 C ATOM 1037 CD2 LEU A 67 -1.404 7.149 -4.785 1.00 0.82 C ATOM 0 H LEU A 67 0.686 6.046 -8.013 1.00 0.73 H new ATOM 0 HA LEU A 67 -0.254 8.630 -6.937 1.00 0.81 H new ATOM 0 HB2 LEU A 67 1.894 6.776 -5.853 1.00 0.81 H new ATOM 0 HB3 LEU A 67 1.253 8.212 -5.080 1.00 0.81 H new ATOM 0 HG LEU A 67 -0.183 5.586 -5.518 1.00 0.78 H new ATOM 0 HD11 LEU A 67 -0.146 5.609 -2.981 1.00 0.83 H new ATOM 0 HD12 LEU A 67 1.501 5.694 -3.650 1.00 0.83 H new ATOM 0 HD13 LEU A 67 0.715 7.166 -3.031 1.00 0.83 H new ATOM 0 HD21 LEU A 67 -2.063 6.479 -4.233 1.00 0.82 H new ATOM 0 HD22 LEU A 67 -1.303 8.088 -4.240 1.00 0.82 H new ATOM 0 HD23 LEU A 67 -1.828 7.345 -5.770 1.00 0.82 H new ATOM 1049 N GLU A 68 1.939 9.856 -7.484 1.00 1.03 N ATOM 1050 CA GLU A 68 2.993 10.692 -8.073 1.00 1.25 C ATOM 1051 C GLU A 68 3.927 11.178 -6.969 1.00 1.38 C ATOM 1052 O GLU A 68 3.440 11.540 -5.898 1.00 1.43 O ATOM 1053 CB GLU A 68 2.356 11.921 -8.750 1.00 1.40 C ATOM 1054 CG GLU A 68 3.371 12.869 -9.418 1.00 1.60 C ATOM 1055 CD GLU A 68 3.768 12.371 -10.811 1.00 1.44 C ATOM 1056 OE1 GLU A 68 4.174 11.197 -10.943 1.00 1.68 O ATOM 1057 OE2 GLU A 68 3.594 13.121 -11.796 1.00 2.32 O ATOM 0 H GLU A 68 1.354 10.366 -6.822 1.00 1.03 H new ATOM 0 HA GLU A 68 3.548 10.107 -8.806 1.00 1.25 H new ATOM 0 HB2 GLU A 68 1.644 11.580 -9.502 1.00 1.40 H new ATOM 0 HB3 GLU A 68 1.789 12.480 -8.005 1.00 1.40 H new ATOM 0 HG2 GLU A 68 2.942 13.868 -9.496 1.00 1.60 H new ATOM 0 HG3 GLU A 68 4.260 12.952 -8.793 1.00 1.60 H new ATOM 1064 N VAL A 69 5.241 11.243 -7.236 1.00 1.47 N ATOM 1065 CA VAL A 69 6.209 11.761 -6.260 1.00 1.52 C ATOM 1066 C VAL A 69 7.358 12.556 -6.906 1.00 1.54 C ATOM 1067 O VAL A 69 7.977 12.066 -7.846 1.00 1.55 O ATOM 1068 CB VAL A 69 6.793 10.610 -5.389 1.00 1.53 C ATOM 1069 CG1 VAL A 69 7.700 11.142 -4.268 1.00 1.60 C ATOM 1070 CG2 VAL A 69 5.700 9.740 -4.734 1.00 1.53 C ATOM 0 H VAL A 69 5.656 10.944 -8.118 1.00 1.47 H new ATOM 0 HA VAL A 69 5.652 12.453 -5.629 1.00 1.52 H new ATOM 0 HB VAL A 69 7.370 10.000 -6.084 1.00 1.53 H new ATOM 0 HG11 VAL A 69 8.086 10.306 -3.685 1.00 1.60 H new ATOM 0 HG12 VAL A 69 8.532 11.695 -4.705 1.00 1.60 H new ATOM 0 HG13 VAL A 69 7.126 11.803 -3.619 1.00 1.60 H new ATOM 0 HG21 VAL A 69 6.167 8.955 -4.140 1.00 1.53 H new ATOM 0 HG22 VAL A 69 5.078 10.361 -4.090 1.00 1.53 H new ATOM 0 HG23 VAL A 69 5.081 9.288 -5.509 1.00 1.53 H new ATOM 1080 N PRO A 70 7.702 13.763 -6.401 1.00 1.54 N ATOM 1081 CA PRO A 70 8.814 14.562 -6.918 1.00 1.56 C ATOM 1082 C PRO A 70 10.185 13.914 -6.640 1.00 1.61 C ATOM 1083 O PRO A 70 10.272 12.961 -5.860 1.00 1.70 O ATOM 1084 CB PRO A 70 8.674 15.929 -6.230 1.00 1.49 C ATOM 1085 CG PRO A 70 7.992 15.594 -4.908 1.00 1.48 C ATOM 1086 CD PRO A 70 7.047 14.466 -5.305 1.00 1.55 C ATOM 0 HA PRO A 70 8.771 14.647 -8.004 1.00 1.56 H new ATOM 0 HB2 PRO A 70 9.644 16.401 -6.073 1.00 1.49 H new ATOM 0 HB3 PRO A 70 8.077 16.619 -6.826 1.00 1.49 H new ATOM 0 HG2 PRO A 70 8.708 15.276 -4.150 1.00 1.48 H new ATOM 0 HG3 PRO A 70 7.454 16.450 -4.500 1.00 1.48 H new ATOM 0 HD2 PRO A 70 6.864 13.796 -4.465 1.00 1.55 H new ATOM 0 HD3 PRO A 70 6.079 14.859 -5.616 1.00 1.55 H new ATOM 1094 N PRO A 71 11.283 14.434 -7.228 1.00 1.60 N ATOM 1095 CA PRO A 71 12.637 14.114 -6.791 1.00 1.55 C ATOM 1096 C PRO A 71 12.818 14.445 -5.309 1.00 1.60 C ATOM 1097 O PRO A 71 12.302 15.456 -4.836 1.00 1.72 O ATOM 1098 CB PRO A 71 13.576 14.914 -7.693 1.00 1.56 C ATOM 1099 CG PRO A 71 12.714 16.028 -8.274 1.00 1.59 C ATOM 1100 CD PRO A 71 11.309 15.439 -8.281 1.00 1.61 C ATOM 0 HA PRO A 71 12.854 13.049 -6.879 1.00 1.55 H new ATOM 0 HB2 PRO A 71 14.415 15.319 -7.128 1.00 1.56 H new ATOM 0 HB3 PRO A 71 13.995 14.288 -8.481 1.00 1.56 H new ATOM 0 HG2 PRO A 71 12.765 16.931 -7.666 1.00 1.59 H new ATOM 0 HG3 PRO A 71 13.038 16.301 -9.278 1.00 1.59 H new ATOM 0 HD2 PRO A 71 10.562 16.212 -8.099 1.00 1.61 H new ATOM 0 HD3 PRO A 71 11.078 14.994 -9.249 1.00 1.61 H new ATOM 1108 N LYS A 72 13.526 13.576 -4.576 1.00 1.58 N ATOM 1109 CA LYS A 72 13.819 13.709 -3.131 1.00 1.73 C ATOM 1110 C LYS A 72 12.578 13.537 -2.226 1.00 1.90 C ATOM 1111 O LYS A 72 12.669 13.659 -1.006 1.00 2.12 O ATOM 1112 CB LYS A 72 14.575 15.021 -2.842 1.00 1.90 C ATOM 1113 CG LYS A 72 15.636 15.413 -3.883 1.00 2.22 C ATOM 1114 CD LYS A 72 16.727 14.363 -4.137 1.00 1.91 C ATOM 1115 CE LYS A 72 17.594 14.797 -5.328 1.00 2.39 C ATOM 1116 NZ LYS A 72 18.546 13.738 -5.728 1.00 2.22 N ATOM 0 H LYS A 72 13.927 12.730 -4.980 1.00 1.58 H new ATOM 0 HA LYS A 72 14.473 12.877 -2.871 1.00 1.73 H new ATOM 0 HB2 LYS A 72 13.849 15.830 -2.766 1.00 1.90 H new ATOM 0 HB3 LYS A 72 15.059 14.935 -1.869 1.00 1.90 H new ATOM 0 HG2 LYS A 72 15.134 15.626 -4.827 1.00 2.22 H new ATOM 0 HG3 LYS A 72 16.114 16.338 -3.560 1.00 2.22 H new ATOM 0 HD2 LYS A 72 17.346 14.245 -3.248 1.00 1.91 H new ATOM 0 HD3 LYS A 72 16.272 13.393 -4.340 1.00 1.91 H new ATOM 0 HE2 LYS A 72 16.952 15.047 -6.173 1.00 2.39 H new ATOM 0 HE3 LYS A 72 18.144 15.701 -5.067 1.00 2.39 H new ATOM 0 HZ1 LYS A 72 18.786 13.849 -6.734 1.00 2.22 H new ATOM 0 HZ2 LYS A 72 19.411 13.814 -5.155 1.00 2.22 H new ATOM 0 HZ3 LYS A 72 18.111 12.805 -5.577 1.00 2.22 H new ATOM 1130 N GLY A 73 11.416 13.257 -2.819 1.00 1.91 N ATOM 1131 CA GLY A 73 10.127 13.058 -2.133 1.00 2.13 C ATOM 1132 C GLY A 73 9.943 11.641 -1.580 1.00 1.88 C ATOM 1133 O GLY A 73 10.548 10.688 -2.067 1.00 1.69 O ATOM 0 H GLY A 73 11.338 13.158 -3.831 1.00 1.91 H new ATOM 0 HA2 GLY A 73 10.046 13.773 -1.314 1.00 2.13 H new ATOM 0 HA3 GLY A 73 9.317 13.277 -2.828 1.00 2.13 H new ATOM 1137 N ARG A 74 9.056 11.486 -0.586 1.00 1.97 N ATOM 1138 CA ARG A 74 8.660 10.182 -0.036 1.00 1.73 C ATOM 1139 C ARG A 74 7.626 9.482 -0.916 1.00 2.46 C ATOM 1140 O ARG A 74 6.741 10.127 -1.465 1.00 3.48 O ATOM 1141 CB ARG A 74 8.075 10.327 1.377 1.00 2.55 C ATOM 1142 CG ARG A 74 9.160 10.414 2.464 1.00 1.99 C ATOM 1143 CD ARG A 74 8.650 9.842 3.770 1.00 2.20 C ATOM 1144 NE ARG A 74 9.703 9.258 4.599 1.00 2.16 N ATOM 1145 CZ ARG A 74 9.482 8.500 5.659 1.00 2.60 C ATOM 1146 NH1 ARG A 74 8.289 8.378 6.204 1.00 3.30 N ATOM 1147 NH2 ARG A 74 10.499 7.822 6.136 1.00 3.57 N ATOM 0 H ARG A 74 8.588 12.273 -0.136 1.00 1.97 H new ATOM 0 HA ARG A 74 9.568 9.579 -0.001 1.00 1.73 H new ATOM 0 HB2 ARG A 74 7.453 11.221 1.418 1.00 2.55 H new ATOM 0 HB3 ARG A 74 7.425 9.477 1.586 1.00 2.55 H new ATOM 0 HG2 ARG A 74 10.048 9.869 2.144 1.00 1.99 H new ATOM 0 HG3 ARG A 74 9.457 11.453 2.607 1.00 1.99 H new ATOM 0 HD2 ARG A 74 8.150 10.630 4.333 1.00 2.20 H new ATOM 0 HD3 ARG A 74 7.901 9.079 3.556 1.00 2.20 H new ATOM 0 HE ARG A 74 10.672 9.448 4.343 1.00 2.16 H new ATOM 0 HH11 ARG A 74 7.494 8.879 5.808 1.00 3.30 H new ATOM 0 HH12 ARG A 74 8.161 7.783 7.022 1.00 3.30 H new ATOM 0 HH21 ARG A 74 11.414 7.893 5.690 1.00 3.57 H new ATOM 0 HH22 ARG A 74 10.375 7.224 6.953 1.00 3.57 H new ATOM 1161 N VAL A 75 7.709 8.156 -0.973 1.00 2.35 N ATOM 1162 CA VAL A 75 6.857 7.252 -1.748 1.00 3.54 C ATOM 1163 C VAL A 75 6.253 6.220 -0.776 1.00 2.90 C ATOM 1164 O VAL A 75 6.531 5.025 -0.854 1.00 2.75 O ATOM 1165 CB VAL A 75 7.661 6.546 -2.872 1.00 4.65 C ATOM 1166 CG1 VAL A 75 6.711 5.835 -3.851 1.00 5.91 C ATOM 1167 CG2 VAL A 75 8.636 7.437 -3.671 1.00 5.39 C ATOM 0 H VAL A 75 8.419 7.649 -0.445 1.00 2.35 H new ATOM 0 HA VAL A 75 6.065 7.820 -2.236 1.00 3.54 H new ATOM 0 HB VAL A 75 8.290 5.835 -2.336 1.00 4.65 H new ATOM 0 HG11 VAL A 75 7.293 5.346 -4.632 1.00 5.91 H new ATOM 0 HG12 VAL A 75 6.126 5.089 -3.313 1.00 5.91 H new ATOM 0 HG13 VAL A 75 6.040 6.566 -4.302 1.00 5.91 H new ATOM 0 HG21 VAL A 75 9.141 6.836 -4.428 1.00 5.39 H new ATOM 0 HG22 VAL A 75 8.081 8.240 -4.156 1.00 5.39 H new ATOM 0 HG23 VAL A 75 9.376 7.865 -2.994 1.00 5.39 H new ATOM 1177 N GLU A 76 5.477 6.693 0.202 1.00 2.64 N ATOM 1178 CA GLU A 76 4.842 5.846 1.208 1.00 2.06 C ATOM 1179 C GLU A 76 3.315 5.916 1.107 1.00 1.74 C ATOM 1180 O GLU A 76 2.722 6.985 0.955 1.00 1.98 O ATOM 1181 CB GLU A 76 5.378 6.197 2.601 1.00 2.23 C ATOM 1182 CG GLU A 76 4.986 7.576 3.145 1.00 2.31 C ATOM 1183 CD GLU A 76 5.692 7.907 4.463 1.00 2.14 C ATOM 1184 OE1 GLU A 76 6.070 6.979 5.205 1.00 3.13 O ATOM 1185 OE2 GLU A 76 5.927 9.105 4.727 1.00 2.70 O ATOM 0 H GLU A 76 5.271 7.685 0.317 1.00 2.64 H new ATOM 0 HA GLU A 76 5.101 4.804 1.021 1.00 2.06 H new ATOM 0 HB2 GLU A 76 5.031 5.439 3.303 1.00 2.23 H new ATOM 0 HB3 GLU A 76 6.466 6.134 2.576 1.00 2.23 H new ATOM 0 HG2 GLU A 76 5.229 8.338 2.405 1.00 2.31 H new ATOM 0 HG3 GLU A 76 3.907 7.611 3.295 1.00 2.31 H new ATOM 1192 N LEU A 77 2.672 4.753 1.198 1.00 1.32 N ATOM 1193 CA LEU A 77 1.221 4.636 1.227 1.00 1.10 C ATOM 1194 C LEU A 77 0.784 4.829 2.677 1.00 1.26 C ATOM 1195 O LEU A 77 0.696 3.881 3.456 1.00 1.94 O ATOM 1196 CB LEU A 77 0.770 3.305 0.600 1.00 1.01 C ATOM 1197 CG LEU A 77 0.722 3.365 -0.941 1.00 1.05 C ATOM 1198 CD1 LEU A 77 2.083 3.244 -1.630 1.00 1.16 C ATOM 1199 CD2 LEU A 77 -0.207 2.266 -1.463 1.00 1.23 C ATOM 0 H LEU A 77 3.154 3.856 1.254 1.00 1.32 H new ATOM 0 HA LEU A 77 0.736 5.401 0.620 1.00 1.10 H new ATOM 0 HB2 LEU A 77 1.451 2.512 0.909 1.00 1.01 H new ATOM 0 HB3 LEU A 77 -0.217 3.043 0.981 1.00 1.01 H new ATOM 0 HG LEU A 77 0.349 4.359 -1.188 1.00 1.05 H new ATOM 0 HD11 LEU A 77 1.950 3.297 -2.711 1.00 1.16 H new ATOM 0 HD12 LEU A 77 2.730 4.059 -1.304 1.00 1.16 H new ATOM 0 HD13 LEU A 77 2.540 2.290 -1.367 1.00 1.16 H new ATOM 0 HD21 LEU A 77 -0.243 2.306 -2.552 1.00 1.23 H new ATOM 0 HD22 LEU A 77 0.168 1.292 -1.148 1.00 1.23 H new ATOM 0 HD23 LEU A 77 -1.209 2.416 -1.061 1.00 1.23 H new ATOM 1211 N LYS A 78 0.611 6.098 3.056 1.00 1.62 N ATOM 1212 CA LYS A 78 0.466 6.489 4.456 1.00 1.85 C ATOM 1213 C LYS A 78 -0.688 5.762 5.188 1.00 1.67 C ATOM 1214 O LYS A 78 -1.804 5.704 4.648 1.00 1.45 O ATOM 1215 CB LYS A 78 0.316 8.019 4.570 1.00 2.14 C ATOM 1216 CG LYS A 78 -0.836 8.610 3.728 1.00 2.07 C ATOM 1217 CD LYS A 78 -1.458 9.895 4.296 1.00 2.09 C ATOM 1218 CE LYS A 78 -2.115 9.624 5.660 1.00 2.88 C ATOM 1219 NZ LYS A 78 -3.241 10.540 5.959 1.00 4.88 N ATOM 0 H LYS A 78 0.568 6.879 2.402 1.00 1.62 H new ATOM 0 HA LYS A 78 1.379 6.176 4.962 1.00 1.85 H new ATOM 0 HB2 LYS A 78 0.156 8.280 5.616 1.00 2.14 H new ATOM 0 HB3 LYS A 78 1.251 8.488 4.264 1.00 2.14 H new ATOM 0 HG2 LYS A 78 -0.464 8.816 2.724 1.00 2.07 H new ATOM 0 HG3 LYS A 78 -1.618 7.857 3.630 1.00 2.07 H new ATOM 0 HD2 LYS A 78 -0.690 10.661 4.403 1.00 2.09 H new ATOM 0 HD3 LYS A 78 -2.201 10.284 3.600 1.00 2.09 H new ATOM 0 HE2 LYS A 78 -2.476 8.596 5.684 1.00 2.88 H new ATOM 0 HE3 LYS A 78 -1.362 9.716 6.443 1.00 2.88 H new ATOM 0 HZ1 LYS A 78 -3.106 10.960 6.901 1.00 4.88 H new ATOM 0 HZ2 LYS A 78 -3.273 11.295 5.245 1.00 4.88 H new ATOM 0 HZ3 LYS A 78 -4.135 10.009 5.941 1.00 4.88 H new ATOM 1233 N PRO A 79 -0.498 5.346 6.460 1.00 1.99 N ATOM 1234 CA PRO A 79 -1.604 4.934 7.312 1.00 2.15 C ATOM 1235 C PRO A 79 -2.624 6.075 7.405 1.00 2.50 C ATOM 1236 O PRO A 79 -2.270 7.237 7.614 1.00 4.47 O ATOM 1237 CB PRO A 79 -0.992 4.553 8.664 1.00 2.58 C ATOM 1238 CG PRO A 79 0.309 5.348 8.702 1.00 2.81 C ATOM 1239 CD PRO A 79 0.738 5.392 7.237 1.00 2.45 C ATOM 0 HA PRO A 79 -2.148 4.076 6.918 1.00 2.15 H new ATOM 0 HB2 PRO A 79 -1.649 4.819 9.492 1.00 2.58 H new ATOM 0 HB3 PRO A 79 -0.809 3.481 8.734 1.00 2.58 H new ATOM 0 HG2 PRO A 79 0.157 6.349 9.107 1.00 2.81 H new ATOM 0 HG3 PRO A 79 1.059 4.862 9.326 1.00 2.81 H new ATOM 0 HD2 PRO A 79 1.302 6.300 7.022 1.00 2.45 H new ATOM 0 HD3 PRO A 79 1.385 4.549 6.993 1.00 2.45 H new ATOM 1247 N GLY A 80 -3.895 5.744 7.169 1.00 1.06 N ATOM 1248 CA GLY A 80 -4.984 6.725 7.131 1.00 1.21 C ATOM 1249 C GLY A 80 -4.993 7.629 5.892 1.00 1.41 C ATOM 1250 O GLY A 80 -5.420 8.779 6.003 1.00 2.15 O ATOM 0 H GLY A 80 -4.200 4.786 6.998 1.00 1.06 H new ATOM 0 HA2 GLY A 80 -5.934 6.194 7.183 1.00 1.21 H new ATOM 0 HA3 GLY A 80 -4.920 7.352 8.020 1.00 1.21 H new ATOM 1254 N GLY A 81 -4.493 7.180 4.728 1.00 1.15 N ATOM 1255 CA GLY A 81 -4.891 7.789 3.448 1.00 1.02 C ATOM 1256 C GLY A 81 -4.529 7.078 2.147 1.00 1.21 C ATOM 1257 O GLY A 81 -5.155 7.378 1.142 1.00 2.38 O ATOM 0 H GLY A 81 -3.826 6.413 4.647 1.00 1.15 H new ATOM 0 HA2 GLY A 81 -5.974 7.913 3.465 1.00 1.02 H new ATOM 0 HA3 GLY A 81 -4.456 8.788 3.409 1.00 1.02 H new ATOM 1261 N TYR A 82 -3.584 6.135 2.137 1.00 0.62 N ATOM 1262 CA TYR A 82 -3.324 5.241 0.992 1.00 0.57 C ATOM 1263 C TYR A 82 -2.943 3.825 1.432 1.00 0.56 C ATOM 1264 O TYR A 82 -2.382 3.646 2.508 1.00 0.67 O ATOM 1265 CB TYR A 82 -2.234 5.823 0.081 1.00 0.64 C ATOM 1266 CG TYR A 82 -2.666 7.069 -0.657 1.00 0.65 C ATOM 1267 CD1 TYR A 82 -3.388 6.959 -1.859 1.00 1.70 C ATOM 1268 CD2 TYR A 82 -2.414 8.338 -0.101 1.00 1.78 C ATOM 1269 CE1 TYR A 82 -3.860 8.116 -2.502 1.00 1.71 C ATOM 1270 CE2 TYR A 82 -2.907 9.496 -0.726 1.00 1.79 C ATOM 1271 CZ TYR A 82 -3.626 9.388 -1.939 1.00 0.70 C ATOM 1272 OH TYR A 82 -4.103 10.502 -2.560 1.00 0.76 O ATOM 0 H TYR A 82 -2.967 5.964 2.931 1.00 0.62 H new ATOM 0 HA TYR A 82 -4.257 5.170 0.432 1.00 0.57 H new ATOM 0 HB2 TYR A 82 -1.354 6.053 0.682 1.00 0.64 H new ATOM 0 HB3 TYR A 82 -1.936 5.066 -0.644 1.00 0.64 H new ATOM 0 HD1 TYR A 82 -3.579 5.986 -2.287 1.00 1.70 H new ATOM 0 HD2 TYR A 82 -1.839 8.422 0.810 1.00 1.78 H new ATOM 0 HE1 TYR A 82 -4.404 8.031 -3.431 1.00 1.71 H new ATOM 0 HE2 TYR A 82 -2.737 10.465 -0.281 1.00 1.79 H new ATOM 0 HH TYR A 82 -3.856 11.296 -2.042 1.00 0.76 H new ATOM 1282 N HIS A 83 -3.265 2.812 0.627 1.00 0.51 N ATOM 1283 CA HIS A 83 -2.825 1.419 0.828 1.00 0.51 C ATOM 1284 C HIS A 83 -2.984 0.594 -0.461 1.00 0.47 C ATOM 1285 O HIS A 83 -3.857 0.890 -1.282 1.00 0.50 O ATOM 1286 CB HIS A 83 -3.552 0.774 2.017 1.00 0.60 C ATOM 1287 CG HIS A 83 -5.041 0.744 1.862 1.00 0.58 C ATOM 1288 ND1 HIS A 83 -5.903 1.805 2.039 1.00 0.60 N ATOM 1289 CD2 HIS A 83 -5.756 -0.285 1.321 1.00 0.56 C ATOM 1290 CE1 HIS A 83 -7.106 1.432 1.580 1.00 0.56 C ATOM 1291 NE2 HIS A 83 -7.070 0.151 1.192 1.00 0.55 N ATOM 0 H HIS A 83 -3.850 2.932 -0.200 1.00 0.51 H new ATOM 0 HA HIS A 83 -1.762 1.433 1.071 1.00 0.51 H new ATOM 0 HB2 HIS A 83 -3.188 -0.245 2.146 1.00 0.60 H new ATOM 0 HB3 HIS A 83 -3.300 1.320 2.926 1.00 0.60 H new ATOM 0 HD2 HIS A 83 -5.373 -1.256 1.045 1.00 0.56 H new ATOM 0 HE1 HIS A 83 -7.976 2.070 1.530 1.00 0.56 H new ATOM 0 HE2 HIS A 83 -7.861 -0.403 0.863 1.00 0.55 H new ATOM 1299 N PHE A 84 -2.181 -0.461 -0.629 1.00 0.45 N ATOM 1300 CA PHE A 84 -2.453 -1.487 -1.640 1.00 0.47 C ATOM 1301 C PHE A 84 -3.398 -2.542 -1.047 1.00 0.56 C ATOM 1302 O PHE A 84 -3.117 -3.099 0.013 1.00 0.78 O ATOM 1303 CB PHE A 84 -1.142 -2.130 -2.111 1.00 0.56 C ATOM 1304 CG PHE A 84 -0.423 -1.340 -3.189 1.00 0.62 C ATOM 1305 CD1 PHE A 84 -0.912 -1.353 -4.506 1.00 2.22 C ATOM 1306 CD2 PHE A 84 0.736 -0.603 -2.889 1.00 1.77 C ATOM 1307 CE1 PHE A 84 -0.241 -0.652 -5.521 1.00 2.46 C ATOM 1308 CE2 PHE A 84 1.396 0.122 -3.898 1.00 1.66 C ATOM 1309 CZ PHE A 84 0.912 0.094 -5.218 1.00 1.06 C ATOM 0 H PHE A 84 -1.338 -0.627 -0.079 1.00 0.45 H new ATOM 0 HA PHE A 84 -2.931 -1.029 -2.506 1.00 0.47 H new ATOM 0 HB2 PHE A 84 -0.477 -2.246 -1.255 1.00 0.56 H new ATOM 0 HB3 PHE A 84 -1.354 -3.131 -2.488 1.00 0.56 H new ATOM 0 HD1 PHE A 84 -1.810 -1.906 -4.739 1.00 2.22 H new ATOM 0 HD2 PHE A 84 1.121 -0.593 -1.880 1.00 1.77 H new ATOM 0 HE1 PHE A 84 -0.611 -0.686 -6.535 1.00 2.46 H new ATOM 0 HE2 PHE A 84 2.276 0.701 -3.658 1.00 1.66 H new ATOM 0 HZ PHE A 84 1.423 0.643 -5.995 1.00 1.06 H new ATOM 1319 N MET A 85 -4.507 -2.848 -1.723 1.00 0.44 N ATOM 1320 CA MET A 85 -5.439 -3.953 -1.456 1.00 0.44 C ATOM 1321 C MET A 85 -4.896 -5.239 -2.084 1.00 0.45 C ATOM 1322 O MET A 85 -4.719 -5.286 -3.297 1.00 0.47 O ATOM 1323 CB MET A 85 -6.819 -3.617 -2.031 1.00 0.50 C ATOM 1324 CG MET A 85 -7.927 -4.190 -1.136 1.00 0.59 C ATOM 1325 SD MET A 85 -8.173 -3.241 0.398 1.00 0.81 S ATOM 1326 CE MET A 85 -9.095 -4.443 1.395 1.00 0.58 C ATOM 0 H MET A 85 -4.801 -2.294 -2.528 1.00 0.44 H new ATOM 0 HA MET A 85 -5.537 -4.099 -0.380 1.00 0.44 H new ATOM 0 HB2 MET A 85 -6.932 -2.536 -2.113 1.00 0.50 H new ATOM 0 HB3 MET A 85 -6.909 -4.024 -3.038 1.00 0.50 H new ATOM 0 HG2 MET A 85 -8.862 -4.212 -1.696 1.00 0.59 H new ATOM 0 HG3 MET A 85 -7.683 -5.222 -0.882 1.00 0.59 H new ATOM 0 HE1 MET A 85 -9.322 -4.010 2.369 1.00 0.58 H new ATOM 0 HE2 MET A 85 -10.024 -4.701 0.887 1.00 0.58 H new ATOM 0 HE3 MET A 85 -8.493 -5.342 1.529 1.00 0.58 H new ATOM 1336 N LEU A 86 -4.630 -6.275 -1.283 1.00 0.53 N ATOM 1337 CA LEU A 86 -4.104 -7.565 -1.756 1.00 0.51 C ATOM 1338 C LEU A 86 -5.266 -8.556 -1.843 1.00 0.50 C ATOM 1339 O LEU A 86 -5.919 -8.807 -0.827 1.00 0.53 O ATOM 1340 CB LEU A 86 -3.022 -8.088 -0.791 1.00 0.57 C ATOM 1341 CG LEU A 86 -1.622 -7.448 -0.898 1.00 0.66 C ATOM 1342 CD1 LEU A 86 -1.595 -5.955 -0.532 1.00 0.95 C ATOM 1343 CD2 LEU A 86 -0.674 -8.193 0.052 1.00 1.23 C ATOM 0 H LEU A 86 -4.775 -6.244 -0.274 1.00 0.53 H new ATOM 0 HA LEU A 86 -3.646 -7.443 -2.738 1.00 0.51 H new ATOM 0 HB2 LEU A 86 -3.381 -7.949 0.229 1.00 0.57 H new ATOM 0 HB3 LEU A 86 -2.917 -9.161 -0.949 1.00 0.57 H new ATOM 0 HG LEU A 86 -1.316 -7.528 -1.941 1.00 0.66 H new ATOM 0 HD11 LEU A 86 -0.578 -5.575 -0.631 1.00 0.95 H new ATOM 0 HD12 LEU A 86 -2.255 -5.404 -1.202 1.00 0.95 H new ATOM 0 HD13 LEU A 86 -1.932 -5.826 0.496 1.00 0.95 H new ATOM 0 HD21 LEU A 86 0.322 -7.754 -0.010 1.00 1.23 H new ATOM 0 HD22 LEU A 86 -1.044 -8.110 1.074 1.00 1.23 H new ATOM 0 HD23 LEU A 86 -0.626 -9.244 -0.233 1.00 1.23 H new ATOM 1355 N LEU A 87 -5.533 -9.109 -3.028 1.00 0.56 N ATOM 1356 CA LEU A 87 -6.738 -9.892 -3.331 1.00 0.53 C ATOM 1357 C LEU A 87 -6.450 -11.401 -3.421 1.00 0.54 C ATOM 1358 O LEU A 87 -5.375 -11.824 -3.856 1.00 0.84 O ATOM 1359 CB LEU A 87 -7.367 -9.358 -4.637 1.00 0.83 C ATOM 1360 CG LEU A 87 -8.227 -8.072 -4.561 1.00 1.11 C ATOM 1361 CD1 LEU A 87 -9.526 -8.276 -3.778 1.00 1.50 C ATOM 1362 CD2 LEU A 87 -7.513 -6.856 -3.957 1.00 2.57 C ATOM 0 H LEU A 87 -4.903 -9.024 -3.825 1.00 0.56 H new ATOM 0 HA LEU A 87 -7.445 -9.772 -2.510 1.00 0.53 H new ATOM 0 HB2 LEU A 87 -6.559 -9.177 -5.346 1.00 0.83 H new ATOM 0 HB3 LEU A 87 -7.988 -10.150 -5.056 1.00 0.83 H new ATOM 0 HG LEU A 87 -8.437 -7.863 -5.610 1.00 1.11 H new ATOM 0 HD11 LEU A 87 -10.089 -7.343 -3.757 1.00 1.50 H new ATOM 0 HD12 LEU A 87 -10.124 -9.049 -4.260 1.00 1.50 H new ATOM 0 HD13 LEU A 87 -9.292 -8.582 -2.758 1.00 1.50 H new ATOM 0 HD21 LEU A 87 -8.193 -6.004 -3.945 1.00 2.57 H new ATOM 0 HD22 LEU A 87 -7.201 -7.086 -2.938 1.00 2.57 H new ATOM 0 HD23 LEU A 87 -6.637 -6.613 -4.558 1.00 2.57 H new ATOM 1374 N GLY A 88 -7.420 -12.220 -2.999 1.00 0.58 N ATOM 1375 CA GLY A 88 -7.414 -13.694 -3.038 1.00 0.88 C ATOM 1376 C GLY A 88 -6.578 -14.346 -1.933 1.00 1.35 C ATOM 1377 O GLY A 88 -7.049 -15.242 -1.243 1.00 3.01 O ATOM 0 H GLY A 88 -8.283 -11.854 -2.597 1.00 0.58 H new ATOM 0 HA2 GLY A 88 -8.440 -14.053 -2.962 1.00 0.88 H new ATOM 0 HA3 GLY A 88 -7.034 -14.019 -4.006 1.00 0.88 H new ATOM 1381 N LEU A 89 -5.341 -13.853 -1.778 1.00 0.47 N ATOM 1382 CA LEU A 89 -4.260 -14.295 -0.915 1.00 0.44 C ATOM 1383 C LEU A 89 -3.830 -15.759 -1.095 1.00 0.49 C ATOM 1384 O LEU A 89 -4.487 -16.601 -1.693 1.00 0.64 O ATOM 1385 CB LEU A 89 -4.600 -14.002 0.542 1.00 0.50 C ATOM 1386 CG LEU A 89 -5.126 -12.597 0.885 1.00 0.57 C ATOM 1387 CD1 LEU A 89 -5.329 -12.546 2.398 1.00 0.67 C ATOM 1388 CD2 LEU A 89 -4.179 -11.470 0.457 1.00 0.55 C ATOM 0 H LEU A 89 -5.051 -13.041 -2.322 1.00 0.47 H new ATOM 0 HA LEU A 89 -3.389 -13.717 -1.224 1.00 0.44 H new ATOM 0 HB2 LEU A 89 -5.347 -14.728 0.865 1.00 0.50 H new ATOM 0 HB3 LEU A 89 -3.705 -14.180 1.138 1.00 0.50 H new ATOM 0 HG LEU A 89 -6.054 -12.435 0.337 1.00 0.57 H new ATOM 0 HD11 LEU A 89 -5.703 -11.562 2.682 1.00 0.67 H new ATOM 0 HD12 LEU A 89 -6.050 -13.308 2.694 1.00 0.67 H new ATOM 0 HD13 LEU A 89 -4.379 -12.732 2.899 1.00 0.67 H new ATOM 0 HD21 LEU A 89 -4.612 -10.508 0.729 1.00 0.55 H new ATOM 0 HD22 LEU A 89 -3.219 -11.591 0.959 1.00 0.55 H new ATOM 0 HD23 LEU A 89 -4.031 -11.509 -0.622 1.00 0.55 H new ATOM 1400 N LYS A 90 -2.670 -16.051 -0.523 1.00 0.55 N ATOM 1401 CA LYS A 90 -2.057 -17.381 -0.427 1.00 0.74 C ATOM 1402 C LYS A 90 -1.839 -17.848 1.025 1.00 0.95 C ATOM 1403 O LYS A 90 -1.419 -18.977 1.307 1.00 1.09 O ATOM 1404 CB LYS A 90 -0.731 -17.303 -1.154 1.00 0.86 C ATOM 1405 CG LYS A 90 -0.809 -16.903 -2.643 1.00 0.87 C ATOM 1406 CD LYS A 90 -1.722 -17.783 -3.498 1.00 1.30 C ATOM 1407 CE LYS A 90 -1.609 -17.379 -4.973 1.00 1.43 C ATOM 1408 NZ LYS A 90 -2.537 -18.149 -5.832 1.00 1.87 N ATOM 0 H LYS A 90 -2.095 -15.330 -0.087 1.00 0.55 H new ATOM 0 HA LYS A 90 -2.729 -18.115 -0.872 1.00 0.74 H new ATOM 0 HB2 LYS A 90 -0.095 -16.585 -0.636 1.00 0.86 H new ATOM 0 HB3 LYS A 90 -0.240 -18.274 -1.082 1.00 0.86 H new ATOM 0 HG2 LYS A 90 -1.156 -15.872 -2.710 1.00 0.87 H new ATOM 0 HG3 LYS A 90 0.196 -16.929 -3.065 1.00 0.87 H new ATOM 0 HD2 LYS A 90 -1.448 -18.831 -3.377 1.00 1.30 H new ATOM 0 HD3 LYS A 90 -2.755 -17.683 -3.163 1.00 1.30 H new ATOM 0 HE2 LYS A 90 -1.820 -16.314 -5.074 1.00 1.43 H new ATOM 0 HE3 LYS A 90 -0.586 -17.535 -5.314 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 -2.453 -17.821 -6.815 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 -2.298 -19.160 -5.782 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 -3.513 -18.007 -5.503 1.00 1.87 H new ATOM 1422 N ARG A 91 -2.090 -16.928 1.945 1.00 1.15 N ATOM 1423 CA ARG A 91 -2.129 -17.084 3.391 1.00 1.39 C ATOM 1424 C ARG A 91 -3.453 -16.521 3.929 1.00 1.47 C ATOM 1425 O ARG A 91 -3.762 -15.376 3.605 1.00 1.53 O ATOM 1426 CB ARG A 91 -0.983 -16.257 3.997 1.00 1.83 C ATOM 1427 CG ARG A 91 0.416 -16.817 3.718 1.00 1.74 C ATOM 1428 CD ARG A 91 0.661 -18.091 4.528 1.00 2.43 C ATOM 1429 NE ARG A 91 2.000 -18.629 4.260 1.00 2.67 N ATOM 1430 CZ ARG A 91 2.329 -19.481 3.297 1.00 3.67 C ATOM 1431 NH1 ARG A 91 1.449 -19.933 2.424 1.00 4.41 N ATOM 1432 NH2 ARG A 91 3.577 -19.888 3.206 1.00 4.60 N ATOM 0 H ARG A 91 -2.290 -15.966 1.673 1.00 1.15 H new ATOM 0 HA ARG A 91 -2.035 -18.138 3.651 1.00 1.39 H new ATOM 0 HB2 ARG A 91 -1.039 -15.241 3.607 1.00 1.83 H new ATOM 0 HB3 ARG A 91 -1.128 -16.193 5.076 1.00 1.83 H new ATOM 0 HG2 ARG A 91 0.522 -17.031 2.654 1.00 1.74 H new ATOM 0 HG3 ARG A 91 1.169 -16.070 3.970 1.00 1.74 H new ATOM 0 HD2 ARG A 91 0.556 -17.877 5.592 1.00 2.43 H new ATOM 0 HD3 ARG A 91 -0.093 -18.837 4.277 1.00 2.43 H new ATOM 0 HE ARG A 91 2.752 -18.317 4.875 1.00 2.67 H new ATOM 0 HH11 ARG A 91 0.477 -19.628 2.475 1.00 4.41 H new ATOM 0 HH12 ARG A 91 1.741 -20.587 1.698 1.00 4.41 H new ATOM 0 HH21 ARG A 91 4.274 -19.549 3.869 1.00 4.60 H new ATOM 0 HH22 ARG A 91 3.848 -20.543 2.472 1.00 4.60 H new ATOM 1446 N PRO A 92 -4.189 -17.252 4.790 1.00 1.62 N ATOM 1447 CA PRO A 92 -5.093 -16.652 5.759 1.00 1.89 C ATOM 1448 C PRO A 92 -4.214 -16.100 6.890 1.00 2.11 C ATOM 1449 O PRO A 92 -4.007 -16.758 7.912 1.00 2.95 O ATOM 1450 CB PRO A 92 -6.030 -17.791 6.174 1.00 2.16 C ATOM 1451 CG PRO A 92 -5.154 -19.041 6.060 1.00 2.12 C ATOM 1452 CD PRO A 92 -4.148 -18.701 4.957 1.00 1.67 C ATOM 0 HA PRO A 92 -5.701 -15.821 5.402 1.00 1.89 H new ATOM 0 HB2 PRO A 92 -6.402 -17.654 7.189 1.00 2.16 H new ATOM 0 HB3 PRO A 92 -6.901 -17.851 5.521 1.00 2.16 H new ATOM 0 HG2 PRO A 92 -4.652 -19.262 7.002 1.00 2.12 H new ATOM 0 HG3 PRO A 92 -5.746 -19.919 5.801 1.00 2.12 H new ATOM 0 HD2 PRO A 92 -3.146 -19.032 5.231 1.00 1.67 H new ATOM 0 HD3 PRO A 92 -4.407 -19.206 4.027 1.00 1.67 H new ATOM 1460 N LEU A 93 -3.572 -14.958 6.613 1.00 1.54 N ATOM 1461 CA LEU A 93 -2.349 -14.507 7.284 1.00 1.54 C ATOM 1462 C LEU A 93 -2.559 -14.123 8.754 1.00 1.47 C ATOM 1463 O LEU A 93 -3.573 -13.528 9.111 1.00 1.73 O ATOM 1464 CB LEU A 93 -1.616 -13.424 6.451 1.00 1.61 C ATOM 1465 CG LEU A 93 -2.456 -12.381 5.670 1.00 1.62 C ATOM 1466 CD1 LEU A 93 -3.047 -11.278 6.558 1.00 3.21 C ATOM 1467 CD2 LEU A 93 -1.589 -11.719 4.587 1.00 1.33 C ATOM 0 H LEU A 93 -3.898 -14.307 5.898 1.00 1.54 H new ATOM 0 HA LEU A 93 -1.681 -15.367 7.333 1.00 1.54 H new ATOM 0 HB2 LEU A 93 -0.959 -12.877 7.127 1.00 1.61 H new ATOM 0 HB3 LEU A 93 -0.978 -13.938 5.732 1.00 1.61 H new ATOM 0 HG LEU A 93 -3.289 -12.932 5.233 1.00 1.62 H new ATOM 0 HD11 LEU A 93 -3.622 -10.585 5.943 1.00 3.21 H new ATOM 0 HD12 LEU A 93 -3.700 -11.725 7.308 1.00 3.21 H new ATOM 0 HD13 LEU A 93 -2.240 -10.739 7.054 1.00 3.21 H new ATOM 0 HD21 LEU A 93 -2.184 -10.987 4.041 1.00 1.33 H new ATOM 0 HD22 LEU A 93 -0.740 -11.220 5.055 1.00 1.33 H new ATOM 0 HD23 LEU A 93 -1.227 -12.480 3.896 1.00 1.33 H new ATOM 1479 N LYS A 94 -1.613 -14.471 9.636 1.00 1.44 N ATOM 1480 CA LYS A 94 -1.662 -14.050 11.045 1.00 1.36 C ATOM 1481 C LYS A 94 -0.882 -12.765 11.274 1.00 1.27 C ATOM 1482 O LYS A 94 0.131 -12.488 10.637 1.00 1.64 O ATOM 1483 CB LYS A 94 -1.143 -15.083 12.073 1.00 1.55 C ATOM 1484 CG LYS A 94 -1.087 -16.541 11.654 1.00 1.69 C ATOM 1485 CD LYS A 94 -2.424 -17.125 11.187 1.00 2.84 C ATOM 1486 CE LYS A 94 -2.107 -18.307 10.266 1.00 3.55 C ATOM 1487 NZ LYS A 94 -3.332 -18.836 9.631 1.00 5.56 N ATOM 0 H LYS A 94 -0.803 -15.044 9.400 1.00 1.44 H new ATOM 0 HA LYS A 94 -2.730 -13.918 11.218 1.00 1.36 H new ATOM 0 HB2 LYS A 94 -0.138 -14.782 12.370 1.00 1.55 H new ATOM 0 HB3 LYS A 94 -1.772 -15.015 12.961 1.00 1.55 H new ATOM 0 HG2 LYS A 94 -0.359 -16.646 10.849 1.00 1.69 H new ATOM 0 HG3 LYS A 94 -0.721 -17.132 12.493 1.00 1.69 H new ATOM 0 HD2 LYS A 94 -3.020 -17.451 12.040 1.00 2.84 H new ATOM 0 HD3 LYS A 94 -3.009 -16.372 10.659 1.00 2.84 H new ATOM 0 HE2 LYS A 94 -1.403 -17.992 9.496 1.00 3.55 H new ATOM 0 HE3 LYS A 94 -1.621 -19.097 10.839 1.00 3.55 H new ATOM 0 HZ1 LYS A 94 -3.095 -19.677 9.067 1.00 5.56 H new ATOM 0 HZ2 LYS A 94 -4.020 -19.095 10.366 1.00 5.56 H new ATOM 0 HZ3 LYS A 94 -3.744 -18.109 9.012 1.00 5.56 H new ATOM 1501 N ALA A 95 -1.266 -12.089 12.348 1.00 1.37 N ATOM 1502 CA ALA A 95 -0.392 -11.111 12.981 1.00 1.35 C ATOM 1503 C ALA A 95 0.854 -11.860 13.485 1.00 1.38 C ATOM 1504 O ALA A 95 0.725 -12.804 14.266 1.00 1.56 O ATOM 1505 CB ALA A 95 -1.172 -10.394 14.086 1.00 1.50 C ATOM 0 H ALA A 95 -2.175 -12.199 12.798 1.00 1.37 H new ATOM 0 HA ALA A 95 -0.056 -10.337 12.291 1.00 1.35 H new ATOM 0 HB1 ALA A 95 -0.528 -9.659 14.568 1.00 1.50 H new ATOM 0 HB2 ALA A 95 -2.037 -9.891 13.653 1.00 1.50 H new ATOM 0 HB3 ALA A 95 -1.508 -11.121 14.825 1.00 1.50 H new ATOM 1511 N GLY A 96 2.031 -11.503 12.962 1.00 1.42 N ATOM 1512 CA GLY A 96 3.287 -12.250 13.140 1.00 1.62 C ATOM 1513 C GLY A 96 3.782 -13.033 11.912 1.00 1.71 C ATOM 1514 O GLY A 96 4.861 -13.607 11.996 1.00 1.77 O ATOM 0 H GLY A 96 2.143 -10.667 12.389 1.00 1.42 H new ATOM 0 HA2 GLY A 96 4.066 -11.548 13.437 1.00 1.62 H new ATOM 0 HA3 GLY A 96 3.157 -12.950 13.965 1.00 1.62 H new ATOM 1518 N GLU A 97 3.047 -13.039 10.790 1.00 1.84 N ATOM 1519 CA GLU A 97 3.608 -13.391 9.474 1.00 1.92 C ATOM 1520 C GLU A 97 4.427 -12.230 8.882 1.00 1.79 C ATOM 1521 O GLU A 97 4.549 -11.144 9.454 1.00 1.58 O ATOM 1522 CB GLU A 97 2.501 -13.834 8.491 1.00 1.96 C ATOM 1523 CG GLU A 97 1.926 -15.204 8.891 1.00 2.02 C ATOM 1524 CD GLU A 97 0.929 -15.859 7.920 1.00 2.49 C ATOM 1525 OE1 GLU A 97 1.072 -15.742 6.685 1.00 3.06 O ATOM 1526 OE2 GLU A 97 0.019 -16.559 8.422 1.00 3.32 O ATOM 0 H GLU A 97 2.055 -12.802 10.767 1.00 1.84 H new ATOM 0 HA GLU A 97 4.282 -14.234 9.626 1.00 1.92 H new ATOM 0 HB2 GLU A 97 1.704 -13.091 8.476 1.00 1.96 H new ATOM 0 HB3 GLU A 97 2.906 -13.886 7.481 1.00 1.96 H new ATOM 0 HG2 GLU A 97 2.760 -15.892 9.034 1.00 2.02 H new ATOM 0 HG3 GLU A 97 1.434 -15.095 9.857 1.00 2.02 H new ATOM 1533 N GLU A 98 4.941 -12.462 7.682 1.00 1.93 N ATOM 1534 CA GLU A 98 5.885 -11.665 6.933 1.00 1.69 C ATOM 1535 C GLU A 98 5.625 -11.955 5.450 1.00 1.58 C ATOM 1536 O GLU A 98 5.251 -13.061 5.057 1.00 1.88 O ATOM 1537 CB GLU A 98 7.343 -11.954 7.341 1.00 1.98 C ATOM 1538 CG GLU A 98 7.780 -13.419 7.201 1.00 3.49 C ATOM 1539 CD GLU A 98 9.281 -13.556 7.457 1.00 3.86 C ATOM 1540 OE1 GLU A 98 10.049 -13.195 6.541 1.00 4.15 O ATOM 1541 OE2 GLU A 98 9.655 -14.005 8.563 1.00 4.61 O ATOM 0 H GLU A 98 4.676 -13.299 7.163 1.00 1.93 H new ATOM 0 HA GLU A 98 5.745 -10.605 7.143 1.00 1.69 H new ATOM 0 HB2 GLU A 98 8.003 -11.334 6.734 1.00 1.98 H new ATOM 0 HB3 GLU A 98 7.482 -11.647 8.378 1.00 1.98 H new ATOM 0 HG2 GLU A 98 7.227 -14.039 7.906 1.00 3.49 H new ATOM 0 HG3 GLU A 98 7.541 -13.782 6.202 1.00 3.49 H new ATOM 1548 N VAL A 99 5.734 -10.901 4.659 1.00 1.21 N ATOM 1549 CA VAL A 99 5.329 -10.818 3.255 1.00 1.09 C ATOM 1550 C VAL A 99 6.314 -9.937 2.490 1.00 0.83 C ATOM 1551 O VAL A 99 6.807 -8.942 3.012 1.00 0.83 O ATOM 1552 CB VAL A 99 3.902 -10.225 3.158 1.00 1.08 C ATOM 1553 CG1 VAL A 99 3.469 -9.991 1.703 1.00 1.37 C ATOM 1554 CG2 VAL A 99 2.852 -11.093 3.887 1.00 1.44 C ATOM 0 H VAL A 99 6.131 -10.024 4.995 1.00 1.21 H new ATOM 0 HA VAL A 99 5.329 -11.816 2.818 1.00 1.09 H new ATOM 0 HB VAL A 99 3.951 -9.259 3.661 1.00 1.08 H new ATOM 0 HG11 VAL A 99 2.462 -9.574 1.686 1.00 1.37 H new ATOM 0 HG12 VAL A 99 4.158 -9.294 1.226 1.00 1.37 H new ATOM 0 HG13 VAL A 99 3.479 -10.938 1.164 1.00 1.37 H new ATOM 0 HG21 VAL A 99 1.869 -10.633 3.789 1.00 1.44 H new ATOM 0 HG22 VAL A 99 2.833 -12.089 3.445 1.00 1.44 H new ATOM 0 HG23 VAL A 99 3.113 -11.170 4.943 1.00 1.44 H new ATOM 1564 N GLU A 100 6.551 -10.271 1.224 1.00 0.87 N ATOM 1565 CA GLU A 100 7.270 -9.421 0.276 1.00 0.76 C ATOM 1566 C GLU A 100 6.273 -8.642 -0.596 1.00 0.61 C ATOM 1567 O GLU A 100 5.316 -9.220 -1.121 1.00 0.66 O ATOM 1568 CB GLU A 100 8.186 -10.250 -0.636 1.00 1.06 C ATOM 1569 CG GLU A 100 9.263 -11.059 0.103 1.00 1.45 C ATOM 1570 CD GLU A 100 10.294 -11.609 -0.885 1.00 1.64 C ATOM 1571 OE1 GLU A 100 9.911 -12.004 -2.011 1.00 2.13 O ATOM 1572 OE2 GLU A 100 11.513 -11.502 -0.623 1.00 2.84 O ATOM 0 H GLU A 100 6.244 -11.156 0.820 1.00 0.87 H new ATOM 0 HA GLU A 100 7.883 -8.729 0.854 1.00 0.76 H new ATOM 0 HB2 GLU A 100 7.572 -10.936 -1.219 1.00 1.06 H new ATOM 0 HB3 GLU A 100 8.675 -9.580 -1.343 1.00 1.06 H new ATOM 0 HG2 GLU A 100 9.758 -10.427 0.840 1.00 1.45 H new ATOM 0 HG3 GLU A 100 8.799 -11.881 0.648 1.00 1.45 H new ATOM 1579 N LEU A 101 6.533 -7.349 -0.807 1.00 0.58 N ATOM 1580 CA LEU A 101 5.887 -6.534 -1.845 1.00 0.50 C ATOM 1581 C LEU A 101 6.937 -6.015 -2.827 1.00 0.46 C ATOM 1582 O LEU A 101 8.003 -5.543 -2.425 1.00 0.54 O ATOM 1583 CB LEU A 101 5.145 -5.317 -1.253 1.00 0.55 C ATOM 1584 CG LEU A 101 3.658 -5.477 -0.871 1.00 0.84 C ATOM 1585 CD1 LEU A 101 2.712 -5.417 -2.074 1.00 2.14 C ATOM 1586 CD2 LEU A 101 3.336 -6.692 -0.002 1.00 2.71 C ATOM 0 H LEU A 101 7.211 -6.827 -0.252 1.00 0.58 H new ATOM 0 HA LEU A 101 5.163 -7.177 -2.346 1.00 0.50 H new ATOM 0 HB2 LEU A 101 5.685 -5.002 -0.360 1.00 0.55 H new ATOM 0 HB3 LEU A 101 5.217 -4.502 -1.973 1.00 0.55 H new ATOM 0 HG LEU A 101 3.477 -4.601 -0.248 1.00 0.84 H new ATOM 0 HD11 LEU A 101 1.683 -5.536 -1.734 1.00 2.14 H new ATOM 0 HD12 LEU A 101 2.820 -4.454 -2.574 1.00 2.14 H new ATOM 0 HD13 LEU A 101 2.959 -6.218 -2.771 1.00 2.14 H new ATOM 0 HD21 LEU A 101 2.267 -6.714 0.211 1.00 2.71 H new ATOM 0 HD22 LEU A 101 3.620 -7.602 -0.530 1.00 2.71 H new ATOM 0 HD23 LEU A 101 3.891 -6.627 0.934 1.00 2.71 H new ATOM 1598 N ASP A 102 6.547 -6.031 -4.098 1.00 0.48 N ATOM 1599 CA ASP A 102 7.105 -5.279 -5.226 1.00 0.51 C ATOM 1600 C ASP A 102 6.287 -3.984 -5.398 1.00 0.58 C ATOM 1601 O ASP A 102 5.054 -4.028 -5.450 1.00 0.75 O ATOM 1602 CB ASP A 102 6.896 -6.084 -6.525 1.00 0.65 C ATOM 1603 CG ASP A 102 7.931 -7.131 -6.943 1.00 1.00 C ATOM 1604 OD1 ASP A 102 9.054 -7.144 -6.398 1.00 1.86 O ATOM 1605 OD2 ASP A 102 7.567 -7.919 -7.853 1.00 1.87 O ATOM 0 H ASP A 102 5.767 -6.618 -4.394 1.00 0.48 H new ATOM 0 HA ASP A 102 8.161 -5.083 -5.040 1.00 0.51 H new ATOM 0 HB2 ASP A 102 5.935 -6.591 -6.443 1.00 0.65 H new ATOM 0 HB3 ASP A 102 6.809 -5.367 -7.342 1.00 0.65 H new ATOM 1610 N LEU A 103 6.959 -2.848 -5.574 1.00 0.56 N ATOM 1611 CA LEU A 103 6.392 -1.587 -6.061 1.00 0.50 C ATOM 1612 C LEU A 103 6.626 -1.490 -7.575 1.00 0.46 C ATOM 1613 O LEU A 103 7.761 -1.657 -8.020 1.00 0.55 O ATOM 1614 CB LEU A 103 7.102 -0.401 -5.387 1.00 0.55 C ATOM 1615 CG LEU A 103 6.761 -0.116 -3.913 1.00 0.72 C ATOM 1616 CD1 LEU A 103 7.402 -1.106 -2.932 1.00 0.94 C ATOM 1617 CD2 LEU A 103 7.263 1.300 -3.592 1.00 1.08 C ATOM 0 H LEU A 103 7.956 -2.776 -5.373 1.00 0.56 H new ATOM 0 HA LEU A 103 5.327 -1.560 -5.831 1.00 0.50 H new ATOM 0 HB2 LEU A 103 8.177 -0.567 -5.458 1.00 0.55 H new ATOM 0 HB3 LEU A 103 6.880 0.497 -5.964 1.00 0.55 H new ATOM 0 HG LEU A 103 5.683 -0.218 -3.791 1.00 0.72 H new ATOM 0 HD11 LEU A 103 7.118 -0.844 -1.913 1.00 0.94 H new ATOM 0 HD12 LEU A 103 7.057 -2.115 -3.156 1.00 0.94 H new ATOM 0 HD13 LEU A 103 8.487 -1.063 -3.029 1.00 0.94 H new ATOM 0 HD21 LEU A 103 7.038 1.539 -2.552 1.00 1.08 H new ATOM 0 HD22 LEU A 103 8.340 1.349 -3.751 1.00 1.08 H new ATOM 0 HD23 LEU A 103 6.767 2.019 -4.244 1.00 1.08 H new ATOM 1629 N LEU A 104 5.588 -1.186 -8.369 1.00 0.39 N ATOM 1630 CA LEU A 104 5.685 -1.031 -9.823 1.00 0.37 C ATOM 1631 C LEU A 104 5.544 0.447 -10.222 1.00 0.43 C ATOM 1632 O LEU A 104 4.472 1.056 -10.108 1.00 0.51 O ATOM 1633 CB LEU A 104 4.619 -1.905 -10.509 1.00 0.40 C ATOM 1634 CG LEU A 104 4.679 -3.415 -10.189 1.00 0.47 C ATOM 1635 CD1 LEU A 104 3.546 -4.134 -10.934 1.00 0.69 C ATOM 1636 CD2 LEU A 104 6.023 -4.052 -10.577 1.00 0.56 C ATOM 0 H LEU A 104 4.644 -1.039 -8.010 1.00 0.39 H new ATOM 0 HA LEU A 104 6.668 -1.364 -10.155 1.00 0.37 H new ATOM 0 HB2 LEU A 104 3.634 -1.532 -10.227 1.00 0.40 H new ATOM 0 HB3 LEU A 104 4.711 -1.778 -11.588 1.00 0.40 H new ATOM 0 HG LEU A 104 4.568 -3.523 -9.110 1.00 0.47 H new ATOM 0 HD11 LEU A 104 3.584 -5.200 -10.712 1.00 0.69 H new ATOM 0 HD12 LEU A 104 2.586 -3.730 -10.613 1.00 0.69 H new ATOM 0 HD13 LEU A 104 3.663 -3.983 -12.007 1.00 0.69 H new ATOM 0 HD21 LEU A 104 6.008 -5.113 -10.329 1.00 0.56 H new ATOM 0 HD22 LEU A 104 6.187 -3.932 -11.648 1.00 0.56 H new ATOM 0 HD23 LEU A 104 6.829 -3.563 -10.029 1.00 0.56 H new ATOM 1648 N PHE A 105 6.635 1.032 -10.707 1.00 0.49 N ATOM 1649 CA PHE A 105 6.713 2.415 -11.166 1.00 0.58 C ATOM 1650 C PHE A 105 6.717 2.502 -12.700 1.00 0.62 C ATOM 1651 O PHE A 105 7.018 1.541 -13.411 1.00 1.00 O ATOM 1652 CB PHE A 105 7.982 3.075 -10.601 1.00 0.67 C ATOM 1653 CG PHE A 105 8.088 3.131 -9.090 1.00 0.69 C ATOM 1654 CD1 PHE A 105 8.627 2.045 -8.377 1.00 1.67 C ATOM 1655 CD2 PHE A 105 7.738 4.311 -8.406 1.00 2.07 C ATOM 1656 CE1 PHE A 105 8.839 2.152 -6.992 1.00 1.64 C ATOM 1657 CE2 PHE A 105 7.957 4.417 -7.028 1.00 2.13 C ATOM 1658 CZ PHE A 105 8.509 3.338 -6.316 1.00 0.79 C ATOM 0 H PHE A 105 7.523 0.537 -10.794 1.00 0.49 H new ATOM 0 HA PHE A 105 5.830 2.942 -10.805 1.00 0.58 H new ATOM 0 HB2 PHE A 105 8.849 2.538 -10.986 1.00 0.67 H new ATOM 0 HB3 PHE A 105 8.040 4.093 -10.987 1.00 0.67 H new ATOM 0 HD1 PHE A 105 8.878 1.130 -8.893 1.00 1.67 H new ATOM 0 HD2 PHE A 105 7.299 5.137 -8.947 1.00 2.07 H new ATOM 0 HE1 PHE A 105 9.257 1.320 -6.446 1.00 1.64 H new ATOM 0 HE2 PHE A 105 7.701 5.330 -6.510 1.00 2.13 H new ATOM 0 HZ PHE A 105 8.679 3.421 -5.253 1.00 0.79 H new ATOM 1668 N ALA A 106 6.446 3.705 -13.212 1.00 0.63 N ATOM 1669 CA ALA A 106 6.683 4.053 -14.613 1.00 0.89 C ATOM 1670 C ALA A 106 8.168 3.878 -15.014 1.00 1.75 C ATOM 1671 O ALA A 106 9.067 3.943 -14.171 1.00 2.60 O ATOM 1672 CB ALA A 106 6.188 5.488 -14.846 1.00 1.05 C ATOM 0 H ALA A 106 6.054 4.469 -12.662 1.00 0.63 H new ATOM 0 HA ALA A 106 6.126 3.369 -15.254 1.00 0.89 H new ATOM 0 HB1 ALA A 106 6.356 5.767 -15.886 1.00 1.05 H new ATOM 0 HB2 ALA A 106 5.123 5.546 -14.622 1.00 1.05 H new ATOM 0 HB3 ALA A 106 6.733 6.171 -14.195 1.00 1.05 H new ATOM 1678 N GLY A 107 8.438 3.656 -16.307 1.00 2.62 N ATOM 1679 CA GLY A 107 9.808 3.522 -16.833 1.00 3.60 C ATOM 1680 C GLY A 107 10.467 2.158 -16.585 1.00 2.99 C ATOM 1681 O GLY A 107 11.691 2.087 -16.529 1.00 3.95 O ATOM 0 H GLY A 107 7.715 3.564 -17.020 1.00 2.62 H new ATOM 0 HA2 GLY A 107 9.789 3.710 -17.907 1.00 3.60 H new ATOM 0 HA3 GLY A 107 10.431 4.296 -16.385 1.00 3.60 H new ATOM 1685 N GLY A 108 9.675 1.087 -16.412 1.00 1.67 N ATOM 1686 CA GLY A 108 10.174 -0.288 -16.233 1.00 1.56 C ATOM 1687 C GLY A 108 10.767 -0.565 -14.847 1.00 1.38 C ATOM 1688 O GLY A 108 11.465 -1.554 -14.647 1.00 1.90 O ATOM 0 H GLY A 108 8.657 1.152 -16.392 1.00 1.67 H new ATOM 0 HA2 GLY A 108 9.356 -0.986 -16.412 1.00 1.56 H new ATOM 0 HA3 GLY A 108 10.934 -0.488 -16.988 1.00 1.56 H new ATOM 1692 N LYS A 109 10.528 0.324 -13.883 1.00 0.90 N ATOM 1693 CA LYS A 109 11.150 0.290 -12.559 1.00 0.81 C ATOM 1694 C LYS A 109 10.324 -0.519 -11.554 1.00 0.71 C ATOM 1695 O LYS A 109 9.226 -0.112 -11.196 1.00 0.82 O ATOM 1696 CB LYS A 109 11.331 1.740 -12.094 1.00 0.78 C ATOM 1697 CG LYS A 109 12.579 2.356 -12.724 1.00 1.09 C ATOM 1698 CD LYS A 109 12.511 3.887 -12.623 1.00 1.25 C ATOM 1699 CE LYS A 109 13.769 4.552 -13.192 1.00 2.02 C ATOM 1700 NZ LYS A 109 14.954 4.317 -12.331 1.00 3.58 N ATOM 0 H LYS A 109 9.883 1.105 -14.003 1.00 0.90 H new ATOM 0 HA LYS A 109 12.115 -0.213 -12.621 1.00 0.81 H new ATOM 0 HB2 LYS A 109 10.453 2.327 -12.365 1.00 0.78 H new ATOM 0 HB3 LYS A 109 11.412 1.772 -11.007 1.00 0.78 H new ATOM 0 HG2 LYS A 109 13.472 1.988 -12.219 1.00 1.09 H new ATOM 0 HG3 LYS A 109 12.657 2.054 -13.769 1.00 1.09 H new ATOM 0 HD2 LYS A 109 11.634 4.248 -13.161 1.00 1.25 H new ATOM 0 HD3 LYS A 109 12.387 4.177 -11.580 1.00 1.25 H new ATOM 0 HE2 LYS A 109 13.964 4.165 -14.192 1.00 2.02 H new ATOM 0 HE3 LYS A 109 13.600 5.624 -13.292 1.00 2.02 H new ATOM 0 HZ1 LYS A 109 15.760 4.865 -12.693 1.00 3.58 H new ATOM 0 HZ2 LYS A 109 14.741 4.616 -11.358 1.00 3.58 H new ATOM 0 HZ3 LYS A 109 15.192 3.305 -12.337 1.00 3.58 H new ATOM 1714 N VAL A 110 10.912 -1.601 -11.049 1.00 0.73 N ATOM 1715 CA VAL A 110 10.406 -2.406 -9.923 1.00 0.71 C ATOM 1716 C VAL A 110 11.356 -2.304 -8.722 1.00 0.75 C ATOM 1717 O VAL A 110 12.573 -2.282 -8.918 1.00 0.85 O ATOM 1718 CB VAL A 110 10.151 -3.878 -10.335 1.00 0.79 C ATOM 1719 CG1 VAL A 110 11.406 -4.583 -10.888 1.00 1.78 C ATOM 1720 CG2 VAL A 110 9.556 -4.714 -9.193 1.00 2.33 C ATOM 0 H VAL A 110 11.790 -1.961 -11.423 1.00 0.73 H new ATOM 0 HA VAL A 110 9.441 -1.998 -9.624 1.00 0.71 H new ATOM 0 HB VAL A 110 9.420 -3.814 -11.141 1.00 0.79 H new ATOM 0 HG11 VAL A 110 11.158 -5.610 -11.157 1.00 1.78 H new ATOM 0 HG12 VAL A 110 11.762 -4.052 -11.771 1.00 1.78 H new ATOM 0 HG13 VAL A 110 12.187 -4.586 -10.127 1.00 1.78 H new ATOM 0 HG21 VAL A 110 9.397 -5.737 -9.535 1.00 2.33 H new ATOM 0 HG22 VAL A 110 10.244 -4.717 -8.348 1.00 2.33 H new ATOM 0 HG23 VAL A 110 8.604 -4.283 -8.884 1.00 2.33 H new ATOM 1730 N LEU A 111 10.811 -2.229 -7.500 1.00 0.74 N ATOM 1731 CA LEU A 111 11.564 -2.244 -6.238 1.00 0.78 C ATOM 1732 C LEU A 111 10.842 -3.082 -5.184 1.00 0.76 C ATOM 1733 O LEU A 111 9.668 -2.858 -4.905 1.00 0.95 O ATOM 1734 CB LEU A 111 11.764 -0.810 -5.711 1.00 0.90 C ATOM 1735 CG LEU A 111 12.967 -0.091 -6.342 1.00 1.53 C ATOM 1736 CD1 LEU A 111 12.862 1.423 -6.111 1.00 2.62 C ATOM 1737 CD2 LEU A 111 14.302 -0.608 -5.785 1.00 2.53 C ATOM 0 H LEU A 111 9.804 -2.154 -7.358 1.00 0.74 H new ATOM 0 HA LEU A 111 12.538 -2.691 -6.435 1.00 0.78 H new ATOM 0 HB2 LEU A 111 10.861 -0.230 -5.904 1.00 0.90 H new ATOM 0 HB3 LEU A 111 11.896 -0.843 -4.630 1.00 0.90 H new ATOM 0 HG LEU A 111 12.946 -0.302 -7.411 1.00 1.53 H new ATOM 0 HD11 LEU A 111 13.720 1.920 -6.563 1.00 2.62 H new ATOM 0 HD12 LEU A 111 11.945 1.798 -6.565 1.00 2.62 H new ATOM 0 HD13 LEU A 111 12.846 1.627 -5.040 1.00 2.62 H new ATOM 0 HD21 LEU A 111 15.125 -0.073 -6.258 1.00 2.53 H new ATOM 0 HD22 LEU A 111 14.334 -0.445 -4.708 1.00 2.53 H new ATOM 0 HD23 LEU A 111 14.395 -1.674 -5.993 1.00 2.53 H new ATOM 1749 N LYS A 112 11.570 -4.008 -4.564 1.00 0.79 N ATOM 1750 CA LYS A 112 11.005 -4.966 -3.598 1.00 0.79 C ATOM 1751 C LYS A 112 11.385 -4.639 -2.141 1.00 0.87 C ATOM 1752 O LYS A 112 12.514 -4.225 -1.879 1.00 1.06 O ATOM 1753 CB LYS A 112 11.410 -6.397 -3.999 1.00 0.96 C ATOM 1754 CG LYS A 112 10.419 -7.430 -3.436 1.00 1.49 C ATOM 1755 CD LYS A 112 10.750 -8.871 -3.830 1.00 1.48 C ATOM 1756 CE LYS A 112 11.964 -9.379 -3.045 1.00 1.85 C ATOM 1757 NZ LYS A 112 12.090 -10.850 -3.129 1.00 2.21 N ATOM 0 H LYS A 112 12.573 -4.121 -4.713 1.00 0.79 H new ATOM 0 HA LYS A 112 9.919 -4.885 -3.634 1.00 0.79 H new ATOM 0 HB2 LYS A 112 11.446 -6.477 -5.085 1.00 0.96 H new ATOM 0 HB3 LYS A 112 12.413 -6.612 -3.630 1.00 0.96 H new ATOM 0 HG2 LYS A 112 10.405 -7.353 -2.349 1.00 1.49 H new ATOM 0 HG3 LYS A 112 9.416 -7.187 -3.786 1.00 1.49 H new ATOM 0 HD2 LYS A 112 9.891 -9.513 -3.637 1.00 1.48 H new ATOM 0 HD3 LYS A 112 10.954 -8.924 -4.900 1.00 1.48 H new ATOM 0 HE2 LYS A 112 12.870 -8.913 -3.433 1.00 1.85 H new ATOM 0 HE3 LYS A 112 11.874 -9.080 -2.001 1.00 1.85 H new ATOM 0 HZ1 LYS A 112 12.359 -11.229 -2.199 1.00 2.21 H new ATOM 0 HZ2 LYS A 112 11.180 -11.260 -3.420 1.00 2.21 H new ATOM 0 HZ3 LYS A 112 12.820 -11.097 -3.828 1.00 2.21 H new ATOM 1771 N VAL A 113 10.452 -4.869 -1.214 1.00 0.86 N ATOM 1772 CA VAL A 113 10.539 -4.597 0.240 1.00 0.97 C ATOM 1773 C VAL A 113 9.903 -5.726 1.069 1.00 0.90 C ATOM 1774 O VAL A 113 9.082 -6.485 0.550 1.00 0.87 O ATOM 1775 CB VAL A 113 9.856 -3.257 0.622 1.00 1.11 C ATOM 1776 CG1 VAL A 113 10.800 -2.068 0.405 1.00 1.61 C ATOM 1777 CG2 VAL A 113 8.541 -3.012 -0.139 1.00 2.27 C ATOM 0 H VAL A 113 9.552 -5.277 -1.466 1.00 0.86 H new ATOM 0 HA VAL A 113 11.603 -4.534 0.469 1.00 0.97 H new ATOM 0 HB VAL A 113 9.614 -3.342 1.681 1.00 1.11 H new ATOM 0 HG11 VAL A 113 10.292 -1.144 0.682 1.00 1.61 H new ATOM 0 HG12 VAL A 113 11.689 -2.192 1.023 1.00 1.61 H new ATOM 0 HG13 VAL A 113 11.091 -2.021 -0.644 1.00 1.61 H new ATOM 0 HG21 VAL A 113 8.112 -2.059 0.172 1.00 2.27 H new ATOM 0 HG22 VAL A 113 8.740 -2.988 -1.210 1.00 2.27 H new ATOM 0 HG23 VAL A 113 7.838 -3.815 0.081 1.00 2.27 H new ATOM 1787 N VAL A 114 10.273 -5.806 2.352 1.00 0.98 N ATOM 1788 CA VAL A 114 9.751 -6.746 3.358 1.00 0.94 C ATOM 1789 C VAL A 114 8.730 -6.048 4.271 1.00 1.03 C ATOM 1790 O VAL A 114 8.893 -4.898 4.682 1.00 1.30 O ATOM 1791 CB VAL A 114 10.895 -7.373 4.194 1.00 1.23 C ATOM 1792 CG1 VAL A 114 10.351 -8.395 5.212 1.00 1.98 C ATOM 1793 CG2 VAL A 114 11.908 -8.093 3.282 1.00 1.67 C ATOM 0 H VAL A 114 10.983 -5.185 2.740 1.00 0.98 H new ATOM 0 HA VAL A 114 9.247 -7.555 2.829 1.00 0.94 H new ATOM 0 HB VAL A 114 11.384 -6.556 4.724 1.00 1.23 H new ATOM 0 HG11 VAL A 114 11.179 -8.816 5.782 1.00 1.98 H new ATOM 0 HG12 VAL A 114 9.658 -7.898 5.891 1.00 1.98 H new ATOM 0 HG13 VAL A 114 9.831 -9.194 4.683 1.00 1.98 H new ATOM 0 HG21 VAL A 114 12.702 -8.525 3.891 1.00 1.67 H new ATOM 0 HG22 VAL A 114 11.402 -8.885 2.730 1.00 1.67 H new ATOM 0 HG23 VAL A 114 12.337 -7.378 2.580 1.00 1.67 H new ATOM 1803 N LEU A 115 7.629 -6.755 4.550 1.00 1.06 N ATOM 1804 CA LEU A 115 6.458 -6.286 5.287 1.00 1.40 C ATOM 1805 C LEU A 115 6.006 -7.341 6.328 1.00 1.31 C ATOM 1806 O LEU A 115 5.534 -8.411 5.928 1.00 1.35 O ATOM 1807 CB LEU A 115 5.313 -6.003 4.300 1.00 1.81 C ATOM 1808 CG LEU A 115 5.481 -4.729 3.448 1.00 1.19 C ATOM 1809 CD1 LEU A 115 6.353 -4.893 2.200 1.00 2.44 C ATOM 1810 CD2 LEU A 115 4.094 -4.275 2.997 1.00 2.64 C ATOM 0 H LEU A 115 7.529 -7.724 4.249 1.00 1.06 H new ATOM 0 HA LEU A 115 6.721 -5.371 5.818 1.00 1.40 H new ATOM 0 HB2 LEU A 115 5.212 -6.858 3.631 1.00 1.81 H new ATOM 0 HB3 LEU A 115 4.382 -5.925 4.861 1.00 1.81 H new ATOM 0 HG LEU A 115 5.991 -4.004 4.083 1.00 1.19 H new ATOM 0 HD11 LEU A 115 6.410 -3.943 1.669 1.00 2.44 H new ATOM 0 HD12 LEU A 115 7.355 -5.205 2.495 1.00 2.44 H new ATOM 0 HD13 LEU A 115 5.916 -5.648 1.547 1.00 2.44 H new ATOM 0 HD21 LEU A 115 4.185 -3.373 2.391 1.00 2.64 H new ATOM 0 HD22 LEU A 115 3.627 -5.063 2.406 1.00 2.64 H new ATOM 0 HD23 LEU A 115 3.478 -4.064 3.871 1.00 2.64 H new ATOM 1822 N PRO A 116 6.084 -7.058 7.646 1.00 1.24 N ATOM 1823 CA PRO A 116 5.475 -7.891 8.683 1.00 1.21 C ATOM 1824 C PRO A 116 3.954 -7.680 8.724 1.00 1.06 C ATOM 1825 O PRO A 116 3.472 -6.583 8.424 1.00 0.97 O ATOM 1826 CB PRO A 116 6.136 -7.453 9.990 1.00 1.26 C ATOM 1827 CG PRO A 116 6.474 -5.985 9.748 1.00 1.21 C ATOM 1828 CD PRO A 116 6.797 -5.940 8.253 1.00 1.24 C ATOM 0 HA PRO A 116 5.626 -8.954 8.498 1.00 1.21 H new ATOM 0 HB2 PRO A 116 5.464 -7.575 10.839 1.00 1.26 H new ATOM 0 HB3 PRO A 116 7.029 -8.040 10.204 1.00 1.26 H new ATOM 0 HG2 PRO A 116 5.637 -5.333 9.999 1.00 1.21 H new ATOM 0 HG3 PRO A 116 7.322 -5.662 10.353 1.00 1.21 H new ATOM 0 HD2 PRO A 116 6.480 -4.993 7.815 1.00 1.24 H new ATOM 0 HD3 PRO A 116 7.870 -6.026 8.084 1.00 1.24 H new ATOM 1836 N VAL A 117 3.198 -8.714 9.116 1.00 1.17 N ATOM 1837 CA VAL A 117 1.734 -8.643 9.289 1.00 1.13 C ATOM 1838 C VAL A 117 1.361 -8.258 10.737 1.00 1.15 C ATOM 1839 O VAL A 117 1.893 -8.835 11.687 1.00 1.13 O ATOM 1840 CB VAL A 117 1.100 -9.990 8.869 1.00 1.21 C ATOM 1841 CG1 VAL A 117 -0.432 -10.001 8.982 1.00 1.24 C ATOM 1842 CG2 VAL A 117 1.459 -10.344 7.409 1.00 1.31 C ATOM 0 H VAL A 117 3.586 -9.634 9.325 1.00 1.17 H new ATOM 0 HA VAL A 117 1.335 -7.859 8.646 1.00 1.13 H new ATOM 0 HB VAL A 117 1.510 -10.724 9.563 1.00 1.21 H new ATOM 0 HG11 VAL A 117 -0.813 -10.974 8.673 1.00 1.24 H new ATOM 0 HG12 VAL A 117 -0.722 -9.810 10.015 1.00 1.24 H new ATOM 0 HG13 VAL A 117 -0.850 -9.227 8.339 1.00 1.24 H new ATOM 0 HG21 VAL A 117 1.000 -11.296 7.142 1.00 1.31 H new ATOM 0 HG22 VAL A 117 1.090 -9.563 6.744 1.00 1.31 H new ATOM 0 HG23 VAL A 117 2.542 -10.423 7.309 1.00 1.31 H new ATOM 1852 N GLU A 118 0.441 -7.297 10.913 1.00 1.28 N ATOM 1853 CA GLU A 118 0.010 -6.738 12.210 1.00 1.29 C ATOM 1854 C GLU A 118 -1.506 -6.868 12.450 1.00 1.48 C ATOM 1855 O GLU A 118 -2.300 -6.708 11.528 1.00 2.03 O ATOM 1856 CB GLU A 118 0.267 -5.224 12.290 1.00 1.75 C ATOM 1857 CG GLU A 118 1.714 -4.723 12.285 1.00 2.04 C ATOM 1858 CD GLU A 118 1.718 -3.255 12.731 1.00 3.10 C ATOM 1859 OE1 GLU A 118 0.954 -2.449 12.145 1.00 4.52 O ATOM 1860 OE2 GLU A 118 2.380 -2.946 13.742 1.00 3.19 O ATOM 0 H GLU A 118 -0.045 -6.869 10.125 1.00 1.28 H new ATOM 0 HA GLU A 118 0.583 -7.307 12.942 1.00 1.29 H new ATOM 0 HB2 GLU A 118 -0.248 -4.756 11.451 1.00 1.75 H new ATOM 0 HB3 GLU A 118 -0.207 -4.856 13.200 1.00 1.75 H new ATOM 0 HG2 GLU A 118 2.326 -5.325 12.956 1.00 2.04 H new ATOM 0 HG3 GLU A 118 2.145 -4.818 11.288 1.00 2.04 H new