USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 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 48 THR OG1 : rot -21:sc= 0.339 USER MOD Set 1.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 29:sc= 0.784 USER MOD Single : A 15 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.32) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.74 K(o=0.74,f=-4.6!) USER MOD Single : A 37 THR OG1 : rot 65:sc= 0.707 USER MOD Single : A 46 HIS : no HD1:sc= -1 K(o=-1,f=-2.4) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= 0.811 (180deg=-1.67!) USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.883) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -112:sc= 0.219! (180deg=-0.33!) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.2) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.0507 K(o=-0.051,f=-0.58) USER MOD Single : A 85 MET CE :methyl 156:sc= -1.13 (180deg=-2.29!) USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 1.02 (180deg=0.915) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 1.43! (180deg=1.38!) USER MOD Single : A 109 LYS NZ :NH3+ 150:sc= 1.21 (180deg=0.635) USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= 0.839 (180deg=-0.645!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.136 -3.635 -3.690 1.00 2.40 N ATOM 56 CA GLU A 5 11.217 -4.106 -2.295 1.00 1.26 C ATOM 57 C GLU A 5 9.991 -3.622 -1.512 1.00 1.18 C ATOM 58 O GLU A 5 9.323 -2.681 -1.930 1.00 2.09 O ATOM 59 CB GLU A 5 12.487 -3.609 -1.574 1.00 1.96 C ATOM 60 CG GLU A 5 13.735 -4.291 -2.129 1.00 3.08 C ATOM 61 CD GLU A 5 14.908 -4.352 -1.157 1.00 4.18 C ATOM 62 OE1 GLU A 5 15.093 -3.398 -0.377 1.00 5.14 O ATOM 63 OE2 GLU A 5 15.646 -5.360 -1.270 1.00 4.85 O ATOM 0 HA GLU A 5 11.253 -5.195 -2.331 1.00 1.26 H new ATOM 0 HB2 GLU A 5 12.576 -2.529 -1.691 1.00 1.96 H new ATOM 0 HB3 GLU A 5 12.404 -3.808 -0.506 1.00 1.96 H new ATOM 0 HG2 GLU A 5 13.476 -5.306 -2.430 1.00 3.08 H new ATOM 0 HG3 GLU A 5 14.052 -3.763 -3.029 1.00 3.08 H new ATOM 70 N GLY A 6 9.680 -4.234 -0.367 1.00 1.01 N ATOM 71 CA GLY A 6 8.524 -3.868 0.453 1.00 1.13 C ATOM 72 C GLY A 6 8.260 -4.882 1.551 1.00 1.20 C ATOM 73 O GLY A 6 9.027 -5.830 1.701 1.00 1.48 O ATOM 0 H GLY A 6 10.228 -5.003 0.019 1.00 1.01 H new ATOM 0 HA2 GLY A 6 8.692 -2.887 0.898 1.00 1.13 H new ATOM 0 HA3 GLY A 6 7.642 -3.783 -0.182 1.00 1.13 H new ATOM 77 N TRP A 7 7.169 -4.695 2.295 1.00 1.07 N ATOM 78 CA TRP A 7 6.724 -5.651 3.309 1.00 1.07 C ATOM 79 C TRP A 7 5.254 -5.489 3.714 1.00 1.01 C ATOM 80 O TRP A 7 4.694 -4.398 3.666 1.00 1.00 O ATOM 81 CB TRP A 7 7.628 -5.618 4.556 1.00 1.15 C ATOM 82 CG TRP A 7 7.409 -4.481 5.509 1.00 1.12 C ATOM 83 CD1 TRP A 7 6.814 -4.602 6.715 1.00 1.10 C ATOM 84 CD2 TRP A 7 7.761 -3.066 5.382 1.00 1.23 C ATOM 85 NE1 TRP A 7 6.811 -3.385 7.361 1.00 1.17 N ATOM 86 CE2 TRP A 7 7.367 -2.396 6.580 1.00 1.27 C ATOM 87 CE3 TRP A 7 8.372 -2.273 4.384 1.00 1.41 C ATOM 88 CZ2 TRP A 7 7.553 -1.020 6.776 1.00 1.49 C ATOM 89 CZ3 TRP A 7 8.563 -0.890 4.568 1.00 1.63 C ATOM 90 CH2 TRP A 7 8.158 -0.263 5.760 1.00 1.67 C ATOM 0 H TRP A 7 6.568 -3.875 2.211 1.00 1.07 H new ATOM 0 HA TRP A 7 6.809 -6.628 2.833 1.00 1.07 H new ATOM 0 HB2 TRP A 7 7.492 -6.552 5.101 1.00 1.15 H new ATOM 0 HB3 TRP A 7 8.666 -5.591 4.225 1.00 1.15 H new ATOM 0 HD1 TRP A 7 6.402 -5.517 7.114 1.00 1.10 H new ATOM 0 HE1 TRP A 7 6.443 -3.235 8.300 1.00 1.17 H new ATOM 0 HE3 TRP A 7 8.698 -2.736 3.464 1.00 1.41 H new ATOM 0 HZ2 TRP A 7 7.236 -0.550 7.695 1.00 1.49 H new ATOM 0 HZ3 TRP A 7 9.025 -0.305 3.786 1.00 1.63 H new ATOM 0 HH2 TRP A 7 8.312 0.798 5.893 1.00 1.67 H new ATOM 101 N VAL A 8 4.636 -6.570 4.185 1.00 1.05 N ATOM 102 CA VAL A 8 3.250 -6.567 4.691 1.00 1.01 C ATOM 103 C VAL A 8 3.253 -6.926 6.176 1.00 0.91 C ATOM 104 O VAL A 8 4.015 -7.789 6.609 1.00 0.96 O ATOM 105 CB VAL A 8 2.360 -7.521 3.863 1.00 1.08 C ATOM 106 CG1 VAL A 8 0.911 -7.564 4.380 1.00 1.09 C ATOM 107 CG2 VAL A 8 2.360 -7.106 2.383 1.00 1.23 C ATOM 0 H VAL A 8 5.082 -7.486 4.230 1.00 1.05 H new ATOM 0 HA VAL A 8 2.824 -5.570 4.582 1.00 1.01 H new ATOM 0 HB VAL A 8 2.785 -8.519 3.969 1.00 1.08 H new ATOM 0 HG11 VAL A 8 0.326 -8.248 3.766 1.00 1.09 H new ATOM 0 HG12 VAL A 8 0.904 -7.908 5.414 1.00 1.09 H new ATOM 0 HG13 VAL A 8 0.476 -6.566 4.327 1.00 1.09 H new ATOM 0 HG21 VAL A 8 1.728 -7.788 1.814 1.00 1.23 H new ATOM 0 HG22 VAL A 8 1.974 -6.091 2.290 1.00 1.23 H new ATOM 0 HG23 VAL A 8 3.378 -7.144 1.994 1.00 1.23 H new ATOM 117 N ARG A 9 2.412 -6.266 6.978 1.00 0.83 N ATOM 118 CA ARG A 9 2.303 -6.558 8.406 1.00 0.79 C ATOM 119 C ARG A 9 1.298 -7.680 8.676 1.00 0.98 C ATOM 120 O ARG A 9 0.092 -7.454 8.625 1.00 1.63 O ATOM 121 CB ARG A 9 1.976 -5.292 9.212 1.00 1.01 C ATOM 122 CG ARG A 9 1.865 -5.633 10.709 1.00 1.64 C ATOM 123 CD ARG A 9 2.227 -4.469 11.624 1.00 2.18 C ATOM 124 NE ARG A 9 1.263 -3.357 11.586 1.00 2.20 N ATOM 125 CZ ARG A 9 1.392 -2.244 12.304 1.00 3.06 C ATOM 126 NH1 ARG A 9 2.421 -2.059 13.099 1.00 3.91 N ATOM 127 NH2 ARG A 9 0.487 -1.289 12.221 1.00 4.20 N ATOM 0 H ARG A 9 1.794 -5.521 6.657 1.00 0.83 H new ATOM 0 HA ARG A 9 3.276 -6.914 8.744 1.00 0.79 H new ATOM 0 HB2 ARG A 9 2.753 -4.543 9.058 1.00 1.01 H new ATOM 0 HB3 ARG A 9 1.040 -4.858 8.859 1.00 1.01 H new ATOM 0 HG2 ARG A 9 0.846 -5.953 10.926 1.00 1.64 H new ATOM 0 HG3 ARG A 9 2.518 -6.477 10.931 1.00 1.64 H new ATOM 0 HD2 ARG A 9 2.304 -4.835 12.648 1.00 2.18 H new ATOM 0 HD3 ARG A 9 3.211 -4.093 11.345 1.00 2.18 H new ATOM 0 HE ARG A 9 0.451 -3.445 10.975 1.00 2.20 H new ATOM 0 HH11 ARG A 9 3.142 -2.776 13.175 1.00 3.91 H new ATOM 0 HH12 ARG A 9 2.499 -1.198 13.640 1.00 3.91 H new ATOM 0 HH21 ARG A 9 -0.317 -1.401 11.604 1.00 4.20 H new ATOM 0 HH22 ARG A 9 0.591 -0.438 12.774 1.00 4.20 H new ATOM 141 N PHE A 10 1.792 -8.844 9.109 1.00 1.07 N ATOM 142 CA PHE A 10 0.993 -9.796 9.876 1.00 1.27 C ATOM 143 C PHE A 10 0.539 -9.155 11.192 1.00 1.12 C ATOM 144 O PHE A 10 1.329 -8.652 11.990 1.00 1.53 O ATOM 145 CB PHE A 10 1.791 -11.090 10.115 1.00 1.86 C ATOM 146 CG PHE A 10 1.310 -11.995 11.242 1.00 2.15 C ATOM 147 CD1 PHE A 10 -0.061 -12.202 11.499 1.00 2.98 C ATOM 148 CD2 PHE A 10 2.262 -12.642 12.051 1.00 2.72 C ATOM 149 CE1 PHE A 10 -0.474 -12.981 12.591 1.00 3.17 C ATOM 150 CE2 PHE A 10 1.851 -13.447 13.126 1.00 2.98 C ATOM 151 CZ PHE A 10 0.483 -13.589 13.417 1.00 2.69 C ATOM 0 H PHE A 10 2.750 -9.148 8.938 1.00 1.07 H new ATOM 0 HA PHE A 10 0.101 -10.062 9.309 1.00 1.27 H new ATOM 0 HB2 PHE A 10 1.787 -11.667 9.190 1.00 1.86 H new ATOM 0 HB3 PHE A 10 2.827 -10.818 10.316 1.00 1.86 H new ATOM 0 HD1 PHE A 10 -0.800 -11.757 10.849 1.00 2.98 H new ATOM 0 HD2 PHE A 10 3.315 -12.519 11.844 1.00 2.72 H new ATOM 0 HE1 PHE A 10 -1.526 -13.112 12.795 1.00 3.17 H new ATOM 0 HE2 PHE A 10 2.587 -13.957 13.730 1.00 2.98 H new ATOM 0 HZ PHE A 10 0.169 -14.165 14.275 1.00 2.69 H new ATOM 161 N SER A 11 -0.762 -9.211 11.430 1.00 1.02 N ATOM 162 CA SER A 11 -1.425 -9.038 12.708 1.00 1.10 C ATOM 163 C SER A 11 -2.748 -9.821 12.654 1.00 1.26 C ATOM 164 O SER A 11 -3.157 -10.208 11.551 1.00 1.38 O ATOM 165 CB SER A 11 -1.671 -7.541 12.907 1.00 1.34 C ATOM 166 OG SER A 11 -0.456 -6.896 13.254 1.00 2.13 O ATOM 0 H SER A 11 -1.428 -9.392 10.679 1.00 1.02 H new ATOM 0 HA SER A 11 -0.828 -9.409 13.541 1.00 1.10 H new ATOM 0 HB2 SER A 11 -2.077 -7.105 11.994 1.00 1.34 H new ATOM 0 HB3 SER A 11 -2.412 -7.386 13.691 1.00 1.34 H new ATOM 0 HG SER A 11 0.298 -7.388 12.867 1.00 2.13 H new ATOM 172 N PRO A 12 -3.407 -10.090 13.797 1.00 1.54 N ATOM 173 CA PRO A 12 -4.761 -10.608 13.854 1.00 1.98 C ATOM 174 C PRO A 12 -5.746 -9.431 13.998 1.00 2.01 C ATOM 175 O PRO A 12 -5.403 -8.272 13.768 1.00 3.46 O ATOM 176 CB PRO A 12 -4.721 -11.523 15.083 1.00 2.34 C ATOM 177 CG PRO A 12 -3.861 -10.721 16.063 1.00 2.15 C ATOM 178 CD PRO A 12 -2.930 -9.907 15.160 1.00 1.76 C ATOM 0 HA PRO A 12 -5.093 -11.150 12.968 1.00 1.98 H new ATOM 0 HB2 PRO A 12 -5.718 -11.714 15.480 1.00 2.34 H new ATOM 0 HB3 PRO A 12 -4.278 -12.492 14.853 1.00 2.34 H new ATOM 0 HG2 PRO A 12 -4.472 -10.074 16.693 1.00 2.15 H new ATOM 0 HG3 PRO A 12 -3.299 -11.376 16.729 1.00 2.15 H new ATOM 0 HD2 PRO A 12 -2.945 -8.853 15.437 1.00 1.76 H new ATOM 0 HD3 PRO A 12 -1.899 -10.248 15.259 1.00 1.76 H new ATOM 186 N GLY A 13 -6.969 -9.731 14.434 1.00 1.98 N ATOM 187 CA GLY A 13 -8.021 -8.745 14.689 1.00 1.93 C ATOM 188 C GLY A 13 -8.781 -8.333 13.416 1.00 1.80 C ATOM 189 O GLY A 13 -8.940 -9.160 12.516 1.00 2.25 O ATOM 0 H GLY A 13 -7.264 -10.689 14.624 1.00 1.98 H new ATOM 0 HA2 GLY A 13 -8.728 -9.154 15.411 1.00 1.93 H new ATOM 0 HA3 GLY A 13 -7.578 -7.859 15.144 1.00 1.93 H new ATOM 193 N PRO A 14 -9.313 -7.094 13.355 1.00 1.68 N ATOM 194 CA PRO A 14 -10.163 -6.631 12.259 1.00 1.99 C ATOM 195 C PRO A 14 -9.380 -6.097 11.048 1.00 1.44 C ATOM 196 O PRO A 14 -9.977 -5.964 9.976 1.00 1.70 O ATOM 197 CB PRO A 14 -11.020 -5.524 12.879 1.00 2.55 C ATOM 198 CG PRO A 14 -10.084 -4.900 13.912 1.00 2.34 C ATOM 199 CD PRO A 14 -9.287 -6.100 14.424 1.00 1.85 C ATOM 0 HA PRO A 14 -10.746 -7.459 11.856 1.00 1.99 H new ATOM 0 HB2 PRO A 14 -11.340 -4.796 12.133 1.00 2.55 H new ATOM 0 HB3 PRO A 14 -11.922 -5.924 13.342 1.00 2.55 H new ATOM 0 HG2 PRO A 14 -9.436 -4.146 13.466 1.00 2.34 H new ATOM 0 HG3 PRO A 14 -10.637 -4.411 14.714 1.00 2.34 H new ATOM 0 HD2 PRO A 14 -8.263 -5.813 14.664 1.00 1.85 H new ATOM 0 HD3 PRO A 14 -9.728 -6.499 15.337 1.00 1.85 H new ATOM 207 N ASN A 15 -8.084 -5.781 11.190 1.00 0.85 N ATOM 208 CA ASN A 15 -7.276 -5.223 10.110 1.00 0.56 C ATOM 209 C ASN A 15 -5.763 -5.493 10.199 1.00 0.57 C ATOM 210 O ASN A 15 -5.196 -5.756 11.261 1.00 0.73 O ATOM 211 CB ASN A 15 -7.536 -3.711 9.988 1.00 0.95 C ATOM 212 CG ASN A 15 -6.871 -2.872 11.075 1.00 1.72 C ATOM 213 OD1 ASN A 15 -5.684 -2.583 11.039 1.00 3.12 O ATOM 214 ND2 ASN A 15 -7.620 -2.460 12.078 1.00 1.96 N ATOM 0 H ASN A 15 -7.571 -5.908 12.062 1.00 0.85 H new ATOM 0 HA ASN A 15 -7.601 -5.753 9.214 1.00 0.56 H new ATOM 0 HB2 ASN A 15 -7.183 -3.370 9.015 1.00 0.95 H new ATOM 0 HB3 ASN A 15 -8.611 -3.535 10.016 1.00 0.95 H new ATOM 0 HD21 ASN A 15 -7.209 -1.900 12.825 1.00 1.96 H new ATOM 0 HD22 ASN A 15 -8.611 -2.701 12.108 1.00 1.96 H new ATOM 221 N ALA A 16 -5.117 -5.343 9.042 1.00 0.69 N ATOM 222 CA ALA A 16 -3.672 -5.288 8.845 1.00 0.91 C ATOM 223 C ALA A 16 -3.306 -4.175 7.846 1.00 0.68 C ATOM 224 O ALA A 16 -4.185 -3.519 7.286 1.00 0.53 O ATOM 225 CB ALA A 16 -3.197 -6.670 8.375 1.00 1.30 C ATOM 0 H ALA A 16 -5.624 -5.251 8.162 1.00 0.69 H new ATOM 0 HA ALA A 16 -3.167 -5.043 9.779 1.00 0.91 H new ATOM 0 HB1 ALA A 16 -2.118 -6.651 8.221 1.00 1.30 H new ATOM 0 HB2 ALA A 16 -3.443 -7.416 9.131 1.00 1.30 H new ATOM 0 HB3 ALA A 16 -3.692 -6.926 7.438 1.00 1.30 H new ATOM 231 N ALA A 17 -2.009 -3.974 7.600 1.00 0.95 N ATOM 232 CA ALA A 17 -1.480 -2.919 6.731 1.00 0.81 C ATOM 233 C ALA A 17 -0.374 -3.449 5.805 1.00 0.84 C ATOM 234 O ALA A 17 0.430 -4.281 6.233 1.00 1.09 O ATOM 235 CB ALA A 17 -0.945 -1.790 7.615 1.00 0.92 C ATOM 0 H ALA A 17 -1.278 -4.556 8.010 1.00 0.95 H new ATOM 0 HA ALA A 17 -2.280 -2.550 6.089 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -0.546 -0.994 6.987 1.00 0.92 H new ATOM 0 HB2 ALA A 17 -1.753 -1.396 8.231 1.00 0.92 H new ATOM 0 HB3 ALA A 17 -0.154 -2.175 8.258 1.00 0.92 H new ATOM 241 N ALA A 18 -0.302 -2.944 4.570 1.00 0.74 N ATOM 242 CA ALA A 18 0.761 -3.273 3.609 1.00 0.79 C ATOM 243 C ALA A 18 1.555 -2.033 3.176 1.00 0.74 C ATOM 244 O ALA A 18 0.999 -0.935 3.069 1.00 0.82 O ATOM 245 CB ALA A 18 0.152 -3.991 2.399 1.00 0.95 C ATOM 0 H ALA A 18 -0.989 -2.286 4.202 1.00 0.74 H new ATOM 0 HA ALA A 18 1.472 -3.937 4.101 1.00 0.79 H new ATOM 0 HB1 ALA A 18 0.940 -4.235 1.686 1.00 0.95 H new ATOM 0 HB2 ALA A 18 -0.336 -4.908 2.728 1.00 0.95 H new ATOM 0 HB3 ALA A 18 -0.581 -3.341 1.921 1.00 0.95 H new ATOM 251 N TYR A 19 2.846 -2.229 2.899 1.00 0.73 N ATOM 252 CA TYR A 19 3.829 -1.192 2.568 1.00 0.83 C ATOM 253 C TYR A 19 4.744 -1.669 1.426 1.00 1.01 C ATOM 254 O TYR A 19 5.084 -2.851 1.363 1.00 1.17 O ATOM 255 CB TYR A 19 4.698 -0.910 3.809 1.00 0.84 C ATOM 256 CG TYR A 19 3.979 -0.938 5.142 1.00 0.73 C ATOM 257 CD1 TYR A 19 3.114 0.104 5.523 1.00 1.97 C ATOM 258 CD2 TYR A 19 4.163 -2.037 5.996 1.00 1.95 C ATOM 259 CE1 TYR A 19 2.451 0.050 6.767 1.00 1.95 C ATOM 260 CE2 TYR A 19 3.552 -2.078 7.258 1.00 2.02 C ATOM 261 CZ TYR A 19 2.699 -1.025 7.652 1.00 0.82 C ATOM 262 OH TYR A 19 2.134 -1.043 8.891 1.00 1.01 O ATOM 0 H TYR A 19 3.256 -3.163 2.899 1.00 0.73 H new ATOM 0 HA TYR A 19 3.301 -0.291 2.256 1.00 0.83 H new ATOM 0 HB2 TYR A 19 5.504 -1.643 3.838 1.00 0.84 H new ATOM 0 HB3 TYR A 19 5.161 0.069 3.689 1.00 0.84 H new ATOM 0 HD1 TYR A 19 2.958 0.945 4.863 1.00 1.97 H new ATOM 0 HD2 TYR A 19 4.783 -2.862 5.677 1.00 1.95 H new ATOM 0 HE1 TYR A 19 1.755 0.828 7.043 1.00 1.95 H new ATOM 0 HE2 TYR A 19 3.733 -2.909 7.923 1.00 2.02 H new ATOM 0 HH TYR A 19 2.410 -1.855 9.365 1.00 1.01 H new ATOM 272 N LEU A 20 5.216 -0.782 0.543 1.00 1.01 N ATOM 273 CA LEU A 20 6.129 -1.169 -0.547 1.00 1.14 C ATOM 274 C LEU A 20 6.833 -0.003 -1.235 1.00 1.16 C ATOM 275 O LEU A 20 6.290 1.093 -1.360 1.00 1.07 O ATOM 276 CB LEU A 20 5.469 -2.114 -1.588 1.00 1.18 C ATOM 277 CG LEU A 20 4.345 -1.516 -2.464 1.00 1.14 C ATOM 278 CD1 LEU A 20 4.175 -2.358 -3.740 1.00 1.26 C ATOM 279 CD2 LEU A 20 2.989 -1.447 -1.747 1.00 1.50 C ATOM 0 H LEU A 20 4.983 0.211 0.559 1.00 1.01 H new ATOM 0 HA LEU A 20 6.911 -1.730 -0.035 1.00 1.14 H new ATOM 0 HB2 LEU A 20 6.251 -2.489 -2.249 1.00 1.18 H new ATOM 0 HB3 LEU A 20 5.062 -2.974 -1.055 1.00 1.18 H new ATOM 0 HG LEU A 20 4.650 -0.496 -2.698 1.00 1.14 H new ATOM 0 HD11 LEU A 20 3.381 -1.932 -4.354 1.00 1.26 H new ATOM 0 HD12 LEU A 20 5.109 -2.358 -4.303 1.00 1.26 H new ATOM 0 HD13 LEU A 20 3.914 -3.381 -3.469 1.00 1.26 H new ATOM 0 HD21 LEU A 20 2.244 -1.018 -2.417 1.00 1.50 H new ATOM 0 HD22 LEU A 20 2.680 -2.451 -1.456 1.00 1.50 H new ATOM 0 HD23 LEU A 20 3.079 -0.823 -0.858 1.00 1.50 H new ATOM 291 N THR A 21 8.024 -0.294 -1.757 1.00 1.32 N ATOM 292 CA THR A 21 8.794 0.534 -2.682 1.00 1.38 C ATOM 293 C THR A 21 8.340 0.180 -4.096 1.00 1.41 C ATOM 294 O THR A 21 8.813 -0.778 -4.704 1.00 1.91 O ATOM 295 CB THR A 21 10.307 0.325 -2.504 1.00 1.60 C ATOM 296 OG1 THR A 21 10.638 0.236 -1.140 1.00 1.52 O ATOM 297 CG2 THR A 21 11.055 1.528 -3.067 1.00 2.03 C ATOM 0 H THR A 21 8.504 -1.165 -1.532 1.00 1.32 H new ATOM 0 HA THR A 21 8.614 1.590 -2.482 1.00 1.38 H new ATOM 0 HB THR A 21 10.582 -0.594 -3.021 1.00 1.60 H new ATOM 0 HG1 THR A 21 11.604 0.101 -1.046 1.00 1.52 H new ATOM 0 HG21 THR A 21 12.128 1.381 -2.941 1.00 2.03 H new ATOM 0 HG22 THR A 21 10.825 1.636 -4.127 1.00 2.03 H new ATOM 0 HG23 THR A 21 10.748 2.429 -2.536 1.00 2.03 H new ATOM 305 N LEU A 22 7.368 0.947 -4.598 1.00 1.17 N ATOM 306 CA LEU A 22 6.741 0.766 -5.909 1.00 1.18 C ATOM 307 C LEU A 22 7.462 1.627 -6.954 1.00 0.98 C ATOM 308 O LEU A 22 7.837 2.767 -6.676 1.00 0.96 O ATOM 309 CB LEU A 22 5.239 1.098 -5.742 1.00 1.37 C ATOM 310 CG LEU A 22 4.279 0.904 -6.938 1.00 1.55 C ATOM 311 CD1 LEU A 22 4.265 2.107 -7.891 1.00 2.19 C ATOM 312 CD2 LEU A 22 4.516 -0.410 -7.697 1.00 2.04 C ATOM 0 H LEU A 22 6.983 1.739 -4.084 1.00 1.17 H new ATOM 0 HA LEU A 22 6.824 -0.257 -6.275 1.00 1.18 H new ATOM 0 HB2 LEU A 22 4.860 0.493 -4.918 1.00 1.37 H new ATOM 0 HB3 LEU A 22 5.167 2.140 -5.431 1.00 1.37 H new ATOM 0 HG LEU A 22 3.285 0.834 -6.495 1.00 1.55 H new ATOM 0 HD11 LEU A 22 3.573 1.914 -8.711 1.00 2.19 H new ATOM 0 HD12 LEU A 22 3.945 2.997 -7.349 1.00 2.19 H new ATOM 0 HD13 LEU A 22 5.266 2.266 -8.291 1.00 2.19 H new ATOM 0 HD21 LEU A 22 3.810 -0.485 -8.524 1.00 2.04 H new ATOM 0 HD22 LEU A 22 5.534 -0.427 -8.086 1.00 2.04 H new ATOM 0 HD23 LEU A 22 4.372 -1.252 -7.020 1.00 2.04 H new ATOM 324 N GLU A 23 7.652 1.106 -8.165 1.00 0.97 N ATOM 325 CA GLU A 23 8.364 1.793 -9.239 1.00 0.92 C ATOM 326 C GLU A 23 7.577 1.866 -10.547 1.00 0.95 C ATOM 327 O GLU A 23 6.710 1.043 -10.833 1.00 1.23 O ATOM 328 CB GLU A 23 9.733 1.136 -9.469 1.00 1.10 C ATOM 329 CG GLU A 23 9.639 -0.328 -9.918 1.00 1.32 C ATOM 330 CD GLU A 23 11.018 -0.851 -10.290 1.00 1.88 C ATOM 331 OE1 GLU A 23 11.488 -0.490 -11.391 1.00 3.05 O ATOM 332 OE2 GLU A 23 11.583 -1.577 -9.444 1.00 2.15 O ATOM 0 H GLU A 23 7.311 0.182 -8.430 1.00 0.97 H new ATOM 0 HA GLU A 23 8.499 2.824 -8.912 1.00 0.92 H new ATOM 0 HB2 GLU A 23 10.279 1.705 -10.222 1.00 1.10 H new ATOM 0 HB3 GLU A 23 10.313 1.189 -8.547 1.00 1.10 H new ATOM 0 HG2 GLU A 23 9.215 -0.935 -9.118 1.00 1.32 H new ATOM 0 HG3 GLU A 23 8.967 -0.412 -10.772 1.00 1.32 H new ATOM 339 N ASN A 24 7.938 2.855 -11.361 1.00 0.83 N ATOM 340 CA ASN A 24 7.611 2.937 -12.770 1.00 0.82 C ATOM 341 C ASN A 24 8.917 2.898 -13.591 1.00 0.92 C ATOM 342 O ASN A 24 9.586 3.928 -13.707 1.00 0.94 O ATOM 343 CB ASN A 24 6.832 4.237 -13.000 1.00 0.77 C ATOM 344 CG ASN A 24 6.315 4.350 -14.425 1.00 0.78 C ATOM 345 OD1 ASN A 24 6.667 3.586 -15.315 1.00 0.98 O ATOM 346 ND2 ASN A 24 5.448 5.310 -14.669 1.00 0.71 N ATOM 0 H ASN A 24 8.489 3.650 -11.037 1.00 0.83 H new ATOM 0 HA ASN A 24 6.993 2.097 -13.088 1.00 0.82 H new ATOM 0 HB2 ASN A 24 5.993 4.284 -12.306 1.00 0.77 H new ATOM 0 HB3 ASN A 24 7.476 5.089 -12.780 1.00 0.77 H new ATOM 0 HD21 ASN A 24 5.063 5.423 -15.607 1.00 0.71 H new ATOM 0 HD22 ASN A 24 5.162 5.941 -13.920 1.00 0.71 H new ATOM 353 N PRO A 25 9.304 1.742 -14.161 1.00 1.07 N ATOM 354 CA PRO A 25 10.476 1.633 -15.031 1.00 1.21 C ATOM 355 C PRO A 25 10.205 2.107 -16.469 1.00 1.19 C ATOM 356 O PRO A 25 11.147 2.236 -17.251 1.00 1.29 O ATOM 357 CB PRO A 25 10.843 0.145 -14.991 1.00 1.41 C ATOM 358 CG PRO A 25 9.489 -0.540 -14.808 1.00 1.39 C ATOM 359 CD PRO A 25 8.733 0.427 -13.906 1.00 1.19 C ATOM 0 HA PRO A 25 11.285 2.278 -14.686 1.00 1.21 H new ATOM 0 HB2 PRO A 25 11.335 -0.174 -15.910 1.00 1.41 H new ATOM 0 HB3 PRO A 25 11.523 -0.081 -14.170 1.00 1.41 H new ATOM 0 HG2 PRO A 25 8.979 -0.686 -15.760 1.00 1.39 H new ATOM 0 HG3 PRO A 25 9.593 -1.523 -14.348 1.00 1.39 H new ATOM 0 HD2 PRO A 25 7.666 0.415 -14.128 1.00 1.19 H new ATOM 0 HD3 PRO A 25 8.843 0.150 -12.858 1.00 1.19 H new ATOM 367 N GLY A 26 8.943 2.375 -16.833 1.00 1.12 N ATOM 368 CA GLY A 26 8.536 2.802 -18.170 1.00 1.16 C ATOM 369 C GLY A 26 8.685 4.304 -18.398 1.00 1.05 C ATOM 370 O GLY A 26 9.263 5.030 -17.591 1.00 1.10 O ATOM 0 H GLY A 26 8.159 2.297 -16.185 1.00 1.12 H new ATOM 0 HA2 GLY A 26 9.132 2.269 -18.911 1.00 1.16 H new ATOM 0 HA3 GLY A 26 7.496 2.519 -18.333 1.00 1.16 H new ATOM 374 N ASP A 27 8.195 4.738 -19.556 1.00 0.99 N ATOM 375 CA ASP A 27 8.411 6.077 -20.128 1.00 0.97 C ATOM 376 C ASP A 27 7.118 6.918 -20.187 1.00 0.94 C ATOM 377 O ASP A 27 7.137 8.072 -20.607 1.00 1.00 O ATOM 378 CB ASP A 27 9.056 5.893 -21.512 1.00 1.13 C ATOM 379 CG ASP A 27 10.424 5.215 -21.377 1.00 1.69 C ATOM 380 OD1 ASP A 27 10.468 3.971 -21.226 1.00 2.50 O ATOM 381 OD2 ASP A 27 11.441 5.925 -21.242 1.00 2.46 O ATOM 0 H ASP A 27 7.613 4.148 -20.150 1.00 0.99 H new ATOM 0 HA ASP A 27 9.077 6.648 -19.481 1.00 0.97 H new ATOM 0 HB2 ASP A 27 8.406 5.291 -22.146 1.00 1.13 H new ATOM 0 HB3 ASP A 27 9.169 6.861 -21.999 1.00 1.13 H new ATOM 386 N LEU A 28 6.001 6.355 -19.709 1.00 0.92 N ATOM 387 CA LEU A 28 4.708 7.020 -19.531 1.00 0.92 C ATOM 388 C LEU A 28 4.282 6.973 -18.046 1.00 0.76 C ATOM 389 O LEU A 28 4.825 6.159 -17.296 1.00 0.72 O ATOM 390 CB LEU A 28 3.708 6.396 -20.528 1.00 1.09 C ATOM 391 CG LEU A 28 3.323 4.913 -20.323 1.00 1.22 C ATOM 392 CD1 LEU A 28 2.313 4.711 -19.180 1.00 1.69 C ATOM 393 CD2 LEU A 28 2.694 4.383 -21.620 1.00 1.37 C ATOM 0 H LEU A 28 5.975 5.376 -19.423 1.00 0.92 H new ATOM 0 HA LEU A 28 4.757 8.084 -19.763 1.00 0.92 H new ATOM 0 HB2 LEU A 28 2.793 6.987 -20.500 1.00 1.09 H new ATOM 0 HB3 LEU A 28 4.124 6.499 -21.530 1.00 1.09 H new ATOM 0 HG LEU A 28 4.234 4.374 -20.062 1.00 1.22 H new ATOM 0 HD11 LEU A 28 2.080 3.651 -19.083 1.00 1.69 H new ATOM 0 HD12 LEU A 28 2.742 5.075 -18.247 1.00 1.69 H new ATOM 0 HD13 LEU A 28 1.400 5.264 -19.399 1.00 1.69 H new ATOM 0 HD21 LEU A 28 2.417 3.337 -21.489 1.00 1.37 H new ATOM 0 HD22 LEU A 28 1.805 4.966 -21.858 1.00 1.37 H new ATOM 0 HD23 LEU A 28 3.413 4.469 -22.435 1.00 1.37 H new ATOM 405 N PRO A 29 3.352 7.832 -17.579 1.00 0.77 N ATOM 406 CA PRO A 29 3.023 7.959 -16.160 1.00 0.72 C ATOM 407 C PRO A 29 2.027 6.878 -15.704 1.00 0.69 C ATOM 408 O PRO A 29 1.231 6.373 -16.496 1.00 0.76 O ATOM 409 CB PRO A 29 2.441 9.367 -16.009 1.00 0.85 C ATOM 410 CG PRO A 29 1.751 9.597 -17.354 1.00 0.97 C ATOM 411 CD PRO A 29 2.614 8.820 -18.352 1.00 0.94 C ATOM 0 HA PRO A 29 3.901 7.816 -15.530 1.00 0.72 H new ATOM 0 HB2 PRO A 29 1.737 9.426 -15.179 1.00 0.85 H new ATOM 0 HB3 PRO A 29 3.218 10.108 -15.822 1.00 0.85 H new ATOM 0 HG2 PRO A 29 0.725 9.230 -17.344 1.00 0.97 H new ATOM 0 HG3 PRO A 29 1.708 10.657 -17.604 1.00 0.97 H new ATOM 0 HD2 PRO A 29 1.994 8.337 -19.107 1.00 0.94 H new ATOM 0 HD3 PRO A 29 3.295 9.488 -18.878 1.00 0.94 H new ATOM 419 N LEU A 30 2.049 6.548 -14.407 1.00 0.65 N ATOM 420 CA LEU A 30 1.274 5.464 -13.795 1.00 0.59 C ATOM 421 C LEU A 30 0.413 6.003 -12.653 1.00 0.56 C ATOM 422 O LEU A 30 0.924 6.671 -11.762 1.00 0.73 O ATOM 423 CB LEU A 30 2.233 4.382 -13.274 1.00 0.72 C ATOM 424 CG LEU A 30 2.137 3.043 -14.025 1.00 0.81 C ATOM 425 CD1 LEU A 30 2.345 3.146 -15.535 1.00 2.34 C ATOM 426 CD2 LEU A 30 3.167 2.059 -13.482 1.00 1.74 C ATOM 0 H LEU A 30 2.628 7.047 -13.731 1.00 0.65 H new ATOM 0 HA LEU A 30 0.613 5.029 -14.545 1.00 0.59 H new ATOM 0 HB2 LEU A 30 3.255 4.753 -13.345 1.00 0.72 H new ATOM 0 HB3 LEU A 30 2.029 4.209 -12.217 1.00 0.72 H new ATOM 0 HG LEU A 30 1.116 2.701 -13.857 1.00 0.81 H new ATOM 0 HD11 LEU A 30 2.260 2.156 -15.982 1.00 2.34 H new ATOM 0 HD12 LEU A 30 1.588 3.803 -15.963 1.00 2.34 H new ATOM 0 HD13 LEU A 30 3.336 3.553 -15.739 1.00 2.34 H new ATOM 0 HD21 LEU A 30 3.089 1.115 -14.022 1.00 1.74 H new ATOM 0 HD22 LEU A 30 4.168 2.470 -13.614 1.00 1.74 H new ATOM 0 HD23 LEU A 30 2.982 1.887 -12.422 1.00 1.74 H new ATOM 438 N ARG A 31 -0.875 5.664 -12.658 1.00 0.51 N ATOM 439 CA ARG A 31 -1.849 6.028 -11.609 1.00 0.47 C ATOM 440 C ARG A 31 -2.324 4.764 -10.888 1.00 0.46 C ATOM 441 O ARG A 31 -3.009 3.934 -11.491 1.00 0.49 O ATOM 442 CB ARG A 31 -3.001 6.853 -12.216 1.00 0.51 C ATOM 443 CG ARG A 31 -3.923 7.493 -11.156 1.00 0.55 C ATOM 444 CD ARG A 31 -4.804 8.635 -11.698 1.00 0.70 C ATOM 445 NE ARG A 31 -4.024 9.853 -11.995 1.00 1.42 N ATOM 446 CZ ARG A 31 -4.075 10.650 -13.057 1.00 1.62 C ATOM 447 NH1 ARG A 31 -4.941 10.488 -14.037 1.00 1.87 N ATOM 448 NH2 ARG A 31 -3.224 11.638 -13.140 1.00 2.74 N ATOM 0 H ARG A 31 -1.290 5.113 -13.409 1.00 0.51 H new ATOM 0 HA ARG A 31 -1.378 6.664 -10.860 1.00 0.47 H new ATOM 0 HB2 ARG A 31 -2.583 7.639 -12.845 1.00 0.51 H new ATOM 0 HB3 ARG A 31 -3.597 6.210 -12.864 1.00 0.51 H new ATOM 0 HG2 ARG A 31 -4.566 6.720 -10.735 1.00 0.55 H new ATOM 0 HG3 ARG A 31 -3.310 7.877 -10.340 1.00 0.55 H new ATOM 0 HD2 ARG A 31 -5.311 8.301 -12.603 1.00 0.70 H new ATOM 0 HD3 ARG A 31 -5.578 8.871 -10.968 1.00 0.70 H new ATOM 0 HE ARG A 31 -3.347 10.122 -11.281 1.00 1.42 H new ATOM 0 HH11 ARG A 31 -5.614 9.722 -14.002 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -4.938 11.128 -14.831 1.00 1.87 H new ATOM 0 HH21 ARG A 31 -2.539 11.785 -12.399 1.00 2.74 H new ATOM 0 HH22 ARG A 31 -3.245 12.263 -13.946 1.00 2.74 H new ATOM 462 N LEU A 32 -1.911 4.590 -9.636 1.00 0.48 N ATOM 463 CA LEU A 32 -2.153 3.422 -8.788 1.00 0.50 C ATOM 464 C LEU A 32 -3.452 3.650 -8.009 1.00 0.49 C ATOM 465 O LEU A 32 -3.495 4.478 -7.106 1.00 0.57 O ATOM 466 CB LEU A 32 -0.917 3.256 -7.880 1.00 0.55 C ATOM 467 CG LEU A 32 -1.006 2.161 -6.797 1.00 0.59 C ATOM 468 CD1 LEU A 32 -1.043 0.751 -7.400 1.00 0.62 C ATOM 469 CD2 LEU A 32 0.222 2.272 -5.882 1.00 0.85 C ATOM 0 H LEU A 32 -1.364 5.304 -9.155 1.00 0.48 H new ATOM 0 HA LEU A 32 -2.283 2.501 -9.356 1.00 0.50 H new ATOM 0 HB2 LEU A 32 -0.055 3.043 -8.512 1.00 0.55 H new ATOM 0 HB3 LEU A 32 -0.724 4.209 -7.388 1.00 0.55 H new ATOM 0 HG LEU A 32 -1.932 2.313 -6.242 1.00 0.59 H new ATOM 0 HD11 LEU A 32 -1.106 0.014 -6.599 1.00 0.62 H new ATOM 0 HD12 LEU A 32 -1.913 0.656 -8.050 1.00 0.62 H new ATOM 0 HD13 LEU A 32 -0.136 0.580 -7.980 1.00 0.62 H new ATOM 0 HD21 LEU A 32 0.172 1.503 -5.111 1.00 0.85 H new ATOM 0 HD22 LEU A 32 1.129 2.136 -6.472 1.00 0.85 H new ATOM 0 HD23 LEU A 32 0.238 3.256 -5.413 1.00 0.85 H new ATOM 481 N VAL A 33 -4.512 2.938 -8.375 1.00 0.47 N ATOM 482 CA VAL A 33 -5.889 3.197 -7.905 1.00 0.48 C ATOM 483 C VAL A 33 -6.332 2.236 -6.793 1.00 0.50 C ATOM 484 O VAL A 33 -7.344 2.474 -6.138 1.00 0.53 O ATOM 485 CB VAL A 33 -6.906 3.187 -9.076 1.00 0.51 C ATOM 486 CG1 VAL A 33 -6.569 4.281 -10.104 1.00 0.56 C ATOM 487 CG2 VAL A 33 -6.982 1.843 -9.826 1.00 0.55 C ATOM 0 H VAL A 33 -4.449 2.148 -9.018 1.00 0.47 H new ATOM 0 HA VAL A 33 -5.873 4.198 -7.473 1.00 0.48 H new ATOM 0 HB VAL A 33 -7.873 3.368 -8.607 1.00 0.51 H new ATOM 0 HG11 VAL A 33 -7.296 4.254 -10.916 1.00 0.56 H new ATOM 0 HG12 VAL A 33 -6.601 5.257 -9.620 1.00 0.56 H new ATOM 0 HG13 VAL A 33 -5.571 4.108 -10.506 1.00 0.56 H new ATOM 0 HG21 VAL A 33 -7.714 1.916 -10.630 1.00 0.55 H new ATOM 0 HG22 VAL A 33 -6.005 1.605 -10.246 1.00 0.55 H new ATOM 0 HG23 VAL A 33 -7.281 1.056 -9.133 1.00 0.55 H new ATOM 497 N GLY A 34 -5.574 1.157 -6.561 1.00 0.51 N ATOM 498 CA GLY A 34 -5.801 0.212 -5.471 1.00 0.58 C ATOM 499 C GLY A 34 -4.803 -0.940 -5.490 1.00 0.61 C ATOM 500 O GLY A 34 -3.782 -0.886 -6.175 1.00 0.60 O ATOM 0 H GLY A 34 -4.770 0.915 -7.140 1.00 0.51 H new ATOM 0 HA2 GLY A 34 -5.730 0.736 -4.518 1.00 0.58 H new ATOM 0 HA3 GLY A 34 -6.813 -0.186 -5.542 1.00 0.58 H new ATOM 504 N ALA A 35 -5.123 -2.006 -4.762 1.00 0.69 N ATOM 505 CA ALA A 35 -4.487 -3.316 -4.886 1.00 0.65 C ATOM 506 C ALA A 35 -5.503 -4.431 -4.572 1.00 0.66 C ATOM 507 O ALA A 35 -6.683 -4.131 -4.395 1.00 0.75 O ATOM 508 CB ALA A 35 -3.220 -3.379 -4.028 1.00 0.79 C ATOM 0 H ALA A 35 -5.852 -1.983 -4.049 1.00 0.69 H new ATOM 0 HA ALA A 35 -4.163 -3.475 -5.915 1.00 0.65 H new ATOM 0 HB1 ALA A 35 -2.759 -4.361 -4.132 1.00 0.79 H new ATOM 0 HB2 ALA A 35 -2.519 -2.612 -4.358 1.00 0.79 H new ATOM 0 HB3 ALA A 35 -3.479 -3.209 -2.983 1.00 0.79 H new ATOM 514 N ARG A 36 -5.069 -5.693 -4.499 1.00 0.69 N ATOM 515 CA ARG A 36 -5.906 -6.877 -4.251 1.00 0.67 C ATOM 516 C ARG A 36 -4.992 -8.014 -3.797 1.00 0.67 C ATOM 517 O ARG A 36 -3.942 -8.200 -4.395 1.00 0.80 O ATOM 518 CB ARG A 36 -6.693 -7.212 -5.539 1.00 0.85 C ATOM 519 CG ARG A 36 -6.967 -8.712 -5.760 1.00 1.69 C ATOM 520 CD ARG A 36 -7.523 -8.998 -7.156 1.00 2.43 C ATOM 521 NE ARG A 36 -8.944 -8.645 -7.274 1.00 2.80 N ATOM 522 CZ ARG A 36 -9.673 -8.827 -8.366 1.00 3.81 C ATOM 523 NH1 ARG A 36 -9.136 -9.302 -9.476 1.00 4.44 N ATOM 524 NH2 ARG A 36 -10.959 -8.540 -8.346 1.00 4.98 N ATOM 0 H ARG A 36 -4.084 -5.930 -4.616 1.00 0.69 H new ATOM 0 HA ARG A 36 -6.641 -6.703 -3.465 1.00 0.67 H new ATOM 0 HB2 ARG A 36 -7.646 -6.683 -5.513 1.00 0.85 H new ATOM 0 HB3 ARG A 36 -6.139 -6.829 -6.396 1.00 0.85 H new ATOM 0 HG2 ARG A 36 -6.044 -9.273 -5.616 1.00 1.69 H new ATOM 0 HG3 ARG A 36 -7.674 -9.065 -5.010 1.00 1.69 H new ATOM 0 HD2 ARG A 36 -6.949 -8.438 -7.895 1.00 2.43 H new ATOM 0 HD3 ARG A 36 -7.393 -10.055 -7.387 1.00 2.43 H new ATOM 0 HE ARG A 36 -9.401 -8.232 -6.461 1.00 2.80 H new ATOM 0 HH11 ARG A 36 -8.144 -9.536 -9.503 1.00 4.44 H new ATOM 0 HH12 ARG A 36 -9.714 -9.435 -10.306 1.00 4.44 H new ATOM 0 HH21 ARG A 36 -11.388 -8.180 -7.494 1.00 4.98 H new ATOM 0 HH22 ARG A 36 -11.525 -8.678 -9.183 1.00 4.98 H new ATOM 538 N THR A 37 -5.369 -8.793 -2.782 1.00 0.62 N ATOM 539 CA THR A 37 -4.504 -9.803 -2.146 1.00 0.69 C ATOM 540 C THR A 37 -5.362 -10.988 -1.683 1.00 0.77 C ATOM 541 O THR A 37 -6.501 -10.736 -1.284 1.00 0.82 O ATOM 542 CB THR A 37 -3.734 -9.139 -1.006 1.00 0.73 C ATOM 543 OG1 THR A 37 -2.821 -10.067 -0.508 1.00 0.94 O ATOM 544 CG2 THR A 37 -4.580 -8.615 0.155 1.00 0.71 C ATOM 0 H THR A 37 -6.300 -8.743 -2.367 1.00 0.62 H new ATOM 0 HA THR A 37 -3.772 -10.200 -2.849 1.00 0.69 H new ATOM 0 HB THR A 37 -3.265 -8.255 -1.438 1.00 0.73 H new ATOM 0 HG1 THR A 37 -2.156 -10.275 -1.198 1.00 0.94 H new ATOM 0 HG21 THR A 37 -3.930 -8.165 0.905 1.00 0.71 H new ATOM 0 HG22 THR A 37 -5.281 -7.866 -0.214 1.00 0.71 H new ATOM 0 HG23 THR A 37 -5.134 -9.440 0.603 1.00 0.71 H new ATOM 552 N PRO A 38 -4.887 -12.254 -1.680 1.00 0.82 N ATOM 553 CA PRO A 38 -5.711 -13.392 -1.264 1.00 0.78 C ATOM 554 C PRO A 38 -5.948 -13.464 0.246 1.00 0.74 C ATOM 555 O PRO A 38 -6.718 -14.307 0.695 1.00 0.97 O ATOM 556 CB PRO A 38 -4.952 -14.618 -1.755 1.00 0.87 C ATOM 557 CG PRO A 38 -3.493 -14.196 -1.696 1.00 0.90 C ATOM 558 CD PRO A 38 -3.570 -12.724 -2.098 1.00 0.97 C ATOM 0 HA PRO A 38 -6.713 -13.309 -1.685 1.00 0.78 H new ATOM 0 HB2 PRO A 38 -5.142 -15.485 -1.122 1.00 0.87 H new ATOM 0 HB3 PRO A 38 -5.248 -14.891 -2.768 1.00 0.87 H new ATOM 0 HG2 PRO A 38 -3.071 -14.325 -0.699 1.00 0.90 H new ATOM 0 HG3 PRO A 38 -2.873 -14.774 -2.382 1.00 0.90 H new ATOM 0 HD2 PRO A 38 -2.780 -12.147 -1.616 1.00 0.97 H new ATOM 0 HD3 PRO A 38 -3.439 -12.607 -3.174 1.00 0.97 H new ATOM 566 N VAL A 39 -5.281 -12.598 1.010 1.00 0.65 N ATOM 567 CA VAL A 39 -5.344 -12.545 2.485 1.00 0.69 C ATOM 568 C VAL A 39 -6.375 -11.561 3.072 1.00 0.68 C ATOM 569 O VAL A 39 -6.494 -11.500 4.296 1.00 0.84 O ATOM 570 CB VAL A 39 -3.946 -12.296 3.112 1.00 0.77 C ATOM 571 CG1 VAL A 39 -2.866 -13.194 2.478 1.00 0.86 C ATOM 572 CG2 VAL A 39 -3.476 -10.833 3.022 1.00 0.74 C ATOM 0 H VAL A 39 -4.662 -11.890 0.615 1.00 0.65 H new ATOM 0 HA VAL A 39 -5.701 -13.537 2.763 1.00 0.69 H new ATOM 0 HB VAL A 39 -4.073 -12.546 4.165 1.00 0.77 H new ATOM 0 HG11 VAL A 39 -1.902 -12.989 2.944 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -3.128 -14.241 2.631 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -2.803 -12.988 1.409 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -2.492 -10.738 3.481 1.00 0.74 H new ATOM 0 HG22 VAL A 39 -3.419 -10.533 1.976 1.00 0.74 H new ATOM 0 HG23 VAL A 39 -4.184 -10.191 3.546 1.00 0.74 H new ATOM 582 N ALA A 40 -7.124 -10.793 2.263 1.00 0.60 N ATOM 583 CA ALA A 40 -8.031 -9.750 2.768 1.00 0.60 C ATOM 584 C ALA A 40 -9.294 -9.558 1.912 1.00 0.62 C ATOM 585 O ALA A 40 -9.266 -9.787 0.705 1.00 0.89 O ATOM 586 CB ALA A 40 -7.248 -8.439 2.873 1.00 0.74 C ATOM 0 H ALA A 40 -7.118 -10.877 1.246 1.00 0.60 H new ATOM 0 HA ALA A 40 -8.392 -10.071 3.745 1.00 0.60 H new ATOM 0 HB1 ALA A 40 -7.904 -7.652 3.246 1.00 0.74 H new ATOM 0 HB2 ALA A 40 -6.411 -8.569 3.559 1.00 0.74 H new ATOM 0 HB3 ALA A 40 -6.871 -8.161 1.889 1.00 0.74 H new ATOM 592 N GLU A 41 -10.389 -9.144 2.559 1.00 0.66 N ATOM 593 CA GLU A 41 -11.699 -8.891 1.947 1.00 0.79 C ATOM 594 C GLU A 41 -11.760 -7.485 1.317 1.00 0.79 C ATOM 595 O GLU A 41 -11.802 -7.329 0.098 1.00 1.09 O ATOM 596 CB GLU A 41 -12.786 -9.091 3.032 1.00 0.88 C ATOM 597 CG GLU A 41 -14.118 -9.607 2.477 1.00 1.23 C ATOM 598 CD GLU A 41 -13.962 -11.042 1.983 1.00 2.07 C ATOM 599 OE1 GLU A 41 -13.545 -11.902 2.792 1.00 3.33 O ATOM 600 OE2 GLU A 41 -14.081 -11.289 0.764 1.00 2.61 O ATOM 0 H GLU A 41 -10.387 -8.969 3.564 1.00 0.66 H new ATOM 0 HA GLU A 41 -11.873 -9.593 1.132 1.00 0.79 H new ATOM 0 HB2 GLU A 41 -12.417 -9.793 3.779 1.00 0.88 H new ATOM 0 HB3 GLU A 41 -12.957 -8.143 3.542 1.00 0.88 H new ATOM 0 HG2 GLU A 41 -14.885 -9.562 3.251 1.00 1.23 H new ATOM 0 HG3 GLU A 41 -14.452 -8.968 1.660 1.00 1.23 H new ATOM 607 N ARG A 42 -11.712 -6.443 2.154 1.00 0.72 N ATOM 608 CA ARG A 42 -11.510 -5.061 1.732 1.00 0.80 C ATOM 609 C ARG A 42 -10.018 -4.726 1.707 1.00 0.76 C ATOM 610 O ARG A 42 -9.229 -5.155 2.547 1.00 1.19 O ATOM 611 CB ARG A 42 -12.239 -4.084 2.665 1.00 1.06 C ATOM 612 CG ARG A 42 -13.624 -3.638 2.173 1.00 1.44 C ATOM 613 CD ARG A 42 -13.928 -2.289 2.837 1.00 1.32 C ATOM 614 NE ARG A 42 -15.299 -1.808 2.610 1.00 2.04 N ATOM 615 CZ ARG A 42 -15.728 -0.599 2.973 1.00 2.62 C ATOM 616 NH1 ARG A 42 -14.929 0.293 3.522 1.00 2.96 N ATOM 617 NH2 ARG A 42 -16.989 -0.268 2.789 1.00 3.63 N ATOM 0 H ARG A 42 -11.815 -6.544 3.164 1.00 0.72 H new ATOM 0 HA ARG A 42 -11.923 -4.957 0.729 1.00 0.80 H new ATOM 0 HB2 ARG A 42 -12.349 -4.551 3.643 1.00 1.06 H new ATOM 0 HB3 ARG A 42 -11.616 -3.201 2.802 1.00 1.06 H new ATOM 0 HG2 ARG A 42 -13.635 -3.543 1.087 1.00 1.44 H new ATOM 0 HG3 ARG A 42 -14.382 -4.376 2.436 1.00 1.44 H new ATOM 0 HD2 ARG A 42 -13.757 -2.377 3.910 1.00 1.32 H new ATOM 0 HD3 ARG A 42 -13.226 -1.544 2.462 1.00 1.32 H new ATOM 0 HE ARG A 42 -15.959 -2.435 2.149 1.00 2.04 H new ATOM 0 HH11 ARG A 42 -13.947 0.068 3.682 1.00 2.96 H new ATOM 0 HH12 ARG A 42 -15.292 1.208 3.787 1.00 2.96 H new ATOM 0 HH21 ARG A 42 -17.636 -0.936 2.369 1.00 3.63 H new ATOM 0 HH22 ARG A 42 -17.319 0.656 3.066 1.00 3.63 H new ATOM 631 N VAL A 43 -9.679 -3.862 0.765 1.00 0.58 N ATOM 632 CA VAL A 43 -8.365 -3.256 0.544 1.00 0.57 C ATOM 633 C VAL A 43 -8.617 -1.812 0.122 1.00 0.61 C ATOM 634 O VAL A 43 -9.451 -1.547 -0.743 1.00 0.83 O ATOM 635 CB VAL A 43 -7.545 -4.046 -0.502 1.00 0.85 C ATOM 636 CG1 VAL A 43 -8.342 -4.350 -1.778 1.00 1.15 C ATOM 637 CG2 VAL A 43 -6.226 -3.342 -0.870 1.00 0.95 C ATOM 0 H VAL A 43 -10.362 -3.538 0.081 1.00 0.58 H new ATOM 0 HA VAL A 43 -7.762 -3.281 1.452 1.00 0.57 H new ATOM 0 HB VAL A 43 -7.308 -4.993 -0.018 1.00 0.85 H new ATOM 0 HG11 VAL A 43 -7.715 -4.906 -2.475 1.00 1.15 H new ATOM 0 HG12 VAL A 43 -9.220 -4.945 -1.526 1.00 1.15 H new ATOM 0 HG13 VAL A 43 -8.658 -3.415 -2.241 1.00 1.15 H new ATOM 0 HG21 VAL A 43 -5.689 -3.938 -1.608 1.00 0.95 H new ATOM 0 HG22 VAL A 43 -6.443 -2.358 -1.287 1.00 0.95 H new ATOM 0 HG23 VAL A 43 -5.612 -3.230 0.023 1.00 0.95 H new ATOM 647 N GLU A 44 -7.939 -0.886 0.792 1.00 0.54 N ATOM 648 CA GLU A 44 -8.152 0.560 0.680 1.00 0.52 C ATOM 649 C GLU A 44 -6.793 1.270 0.721 1.00 0.49 C ATOM 650 O GLU A 44 -6.076 1.130 1.711 1.00 0.54 O ATOM 651 CB GLU A 44 -9.011 1.056 1.867 1.00 0.58 C ATOM 652 CG GLU A 44 -10.423 0.444 1.962 1.00 0.75 C ATOM 653 CD GLU A 44 -11.208 0.930 3.190 1.00 1.05 C ATOM 654 OE1 GLU A 44 -10.857 1.999 3.737 1.00 1.85 O ATOM 655 OE2 GLU A 44 -12.184 0.228 3.560 1.00 2.03 O ATOM 0 H GLU A 44 -7.199 -1.126 1.452 1.00 0.54 H new ATOM 0 HA GLU A 44 -8.664 0.778 -0.257 1.00 0.52 H new ATOM 0 HB2 GLU A 44 -8.478 0.843 2.794 1.00 0.58 H new ATOM 0 HB3 GLU A 44 -9.107 2.139 1.796 1.00 0.58 H new ATOM 0 HG2 GLU A 44 -10.982 0.692 1.059 1.00 0.75 H new ATOM 0 HG3 GLU A 44 -10.340 -0.642 1.997 1.00 0.75 H new ATOM 662 N LEU A 45 -6.401 2.034 -0.313 1.00 0.48 N ATOM 663 CA LEU A 45 -5.188 2.841 -0.258 1.00 0.46 C ATOM 664 C LEU A 45 -5.440 4.123 0.532 1.00 0.42 C ATOM 665 O LEU A 45 -6.295 4.942 0.183 1.00 0.43 O ATOM 666 CB LEU A 45 -4.669 3.115 -1.677 1.00 0.51 C ATOM 667 CG LEU A 45 -3.198 3.578 -1.664 1.00 0.54 C ATOM 668 CD1 LEU A 45 -2.537 3.234 -2.990 1.00 0.53 C ATOM 669 CD2 LEU A 45 -3.028 5.088 -1.511 1.00 0.66 C ATOM 0 H LEU A 45 -6.912 2.104 -1.193 1.00 0.48 H new ATOM 0 HA LEU A 45 -4.408 2.291 0.268 1.00 0.46 H new ATOM 0 HB2 LEU A 45 -4.761 2.211 -2.280 1.00 0.51 H new ATOM 0 HB3 LEU A 45 -5.287 3.878 -2.150 1.00 0.51 H new ATOM 0 HG LEU A 45 -2.751 3.071 -0.809 1.00 0.54 H new ATOM 0 HD11 LEU A 45 -1.498 3.563 -2.975 1.00 0.53 H new ATOM 0 HD12 LEU A 45 -2.574 2.156 -3.146 1.00 0.53 H new ATOM 0 HD13 LEU A 45 -3.065 3.736 -3.801 1.00 0.53 H new ATOM 0 HD21 LEU A 45 -1.967 5.336 -1.510 1.00 0.66 H new ATOM 0 HD22 LEU A 45 -3.519 5.595 -2.341 1.00 0.66 H new ATOM 0 HD23 LEU A 45 -3.477 5.411 -0.572 1.00 0.66 H new ATOM 681 N HIS A 46 -4.652 4.288 1.587 1.00 0.41 N ATOM 682 CA HIS A 46 -4.622 5.444 2.465 1.00 0.40 C ATOM 683 C HIS A 46 -3.310 6.245 2.324 1.00 0.40 C ATOM 684 O HIS A 46 -2.242 5.720 1.985 1.00 0.41 O ATOM 685 CB HIS A 46 -4.840 4.987 3.921 1.00 0.44 C ATOM 686 CG HIS A 46 -6.237 4.549 4.342 1.00 0.46 C ATOM 687 ND1 HIS A 46 -6.789 4.830 5.597 1.00 0.60 N ATOM 688 CD2 HIS A 46 -7.156 3.818 3.637 1.00 0.51 C ATOM 689 CE1 HIS A 46 -7.982 4.207 5.627 1.00 0.58 C ATOM 690 NE2 HIS A 46 -8.221 3.569 4.471 1.00 0.54 N ATOM 0 H HIS A 46 -3.978 3.575 1.866 1.00 0.41 H new ATOM 0 HA HIS A 46 -5.429 6.117 2.174 1.00 0.40 H new ATOM 0 HB2 HIS A 46 -4.160 4.157 4.114 1.00 0.44 H new ATOM 0 HB3 HIS A 46 -4.538 5.805 4.574 1.00 0.44 H new ATOM 0 HD2 HIS A 46 -7.061 3.495 2.611 1.00 0.51 H new ATOM 0 HE1 HIS A 46 -8.657 4.219 6.470 1.00 0.58 H new ATOM 0 HE2 HIS A 46 -9.041 3.004 4.251 1.00 0.54 H new ATOM 698 N GLU A 47 -3.425 7.534 2.618 1.00 0.42 N ATOM 699 CA GLU A 47 -2.304 8.436 2.858 1.00 0.43 C ATOM 700 C GLU A 47 -2.145 8.688 4.365 1.00 0.47 C ATOM 701 O GLU A 47 -2.869 8.118 5.187 1.00 0.51 O ATOM 702 CB GLU A 47 -2.490 9.743 2.067 1.00 0.59 C ATOM 703 CG GLU A 47 -3.651 10.616 2.564 1.00 0.70 C ATOM 704 CD GLU A 47 -3.590 12.004 1.935 1.00 1.13 C ATOM 705 OE1 GLU A 47 -2.568 12.684 2.186 1.00 2.01 O ATOM 706 OE2 GLU A 47 -4.584 12.391 1.286 1.00 1.84 O ATOM 0 H GLU A 47 -4.331 7.996 2.699 1.00 0.42 H new ATOM 0 HA GLU A 47 -1.383 7.973 2.503 1.00 0.43 H new ATOM 0 HB2 GLU A 47 -1.567 10.321 2.118 1.00 0.59 H new ATOM 0 HB3 GLU A 47 -2.656 9.500 1.018 1.00 0.59 H new ATOM 0 HG2 GLU A 47 -4.601 10.141 2.318 1.00 0.70 H new ATOM 0 HG3 GLU A 47 -3.609 10.701 3.650 1.00 0.70 H new ATOM 713 N THR A 48 -1.201 9.556 4.737 1.00 0.67 N ATOM 714 CA THR A 48 -1.020 10.079 6.092 1.00 0.82 C ATOM 715 C THR A 48 -1.001 11.602 5.998 1.00 1.23 C ATOM 716 O THR A 48 0.052 12.234 6.039 1.00 1.58 O ATOM 717 CB THR A 48 0.239 9.516 6.747 1.00 1.03 C ATOM 718 OG1 THR A 48 0.190 8.112 6.659 1.00 1.04 O ATOM 719 CG2 THR A 48 0.297 9.886 8.227 1.00 1.19 C ATOM 0 H THR A 48 -0.517 9.927 4.078 1.00 0.67 H new ATOM 0 HA THR A 48 -1.842 9.766 6.735 1.00 0.82 H new ATOM 0 HB THR A 48 1.112 9.926 6.239 1.00 1.03 H new ATOM 0 HG1 THR A 48 -0.737 7.825 6.525 1.00 1.04 H new ATOM 0 HG21 THR A 48 1.203 9.473 8.670 1.00 1.19 H new ATOM 0 HG22 THR A 48 0.304 10.971 8.331 1.00 1.19 H new ATOM 0 HG23 THR A 48 -0.575 9.479 8.738 1.00 1.19 H new ATOM 727 N PHE A 49 -2.192 12.167 5.814 1.00 1.69 N ATOM 728 CA PHE A 49 -2.406 13.590 5.574 1.00 2.05 C ATOM 729 C PHE A 49 -2.013 14.454 6.780 1.00 2.07 C ATOM 730 O PHE A 49 -2.131 14.053 7.942 1.00 1.94 O ATOM 731 CB PHE A 49 -3.856 13.873 5.137 1.00 2.18 C ATOM 732 CG PHE A 49 -4.918 13.781 6.222 1.00 1.97 C ATOM 733 CD1 PHE A 49 -5.394 12.528 6.645 1.00 2.70 C ATOM 734 CD2 PHE A 49 -5.444 14.948 6.808 1.00 2.53 C ATOM 735 CE1 PHE A 49 -6.343 12.440 7.677 1.00 2.56 C ATOM 736 CE2 PHE A 49 -6.404 14.864 7.831 1.00 2.45 C ATOM 737 CZ PHE A 49 -6.835 13.606 8.278 1.00 1.66 C ATOM 0 H PHE A 49 -3.059 11.631 5.828 1.00 1.69 H new ATOM 0 HA PHE A 49 -1.744 13.871 4.755 1.00 2.05 H new ATOM 0 HB2 PHE A 49 -3.894 14.873 4.705 1.00 2.18 H new ATOM 0 HB3 PHE A 49 -4.117 13.173 4.343 1.00 2.18 H new ATOM 0 HD1 PHE A 49 -5.028 11.628 6.174 1.00 2.70 H new ATOM 0 HD2 PHE A 49 -5.107 15.916 6.468 1.00 2.53 H new ATOM 0 HE1 PHE A 49 -6.693 11.473 8.007 1.00 2.56 H new ATOM 0 HE2 PHE A 49 -6.808 15.764 8.271 1.00 2.45 H new ATOM 0 HZ PHE A 49 -7.547 13.536 9.087 1.00 1.66 H new ATOM 747 N MET A 50 -1.585 15.679 6.481 1.00 2.26 N ATOM 748 CA MET A 50 -1.307 16.723 7.472 1.00 2.21 C ATOM 749 C MET A 50 -2.558 17.551 7.799 1.00 2.30 C ATOM 750 O MET A 50 -3.428 17.754 6.951 1.00 3.08 O ATOM 751 CB MET A 50 -0.142 17.609 6.995 1.00 2.87 C ATOM 752 CG MET A 50 -0.405 18.319 5.660 1.00 4.40 C ATOM 753 SD MET A 50 0.915 19.465 5.198 1.00 5.18 S ATOM 754 CE MET A 50 0.195 20.119 3.675 1.00 6.49 C ATOM 0 H MET A 50 -1.417 15.983 5.522 1.00 2.26 H new ATOM 0 HA MET A 50 -1.009 16.239 8.402 1.00 2.21 H new ATOM 0 HB2 MET A 50 0.068 18.358 7.758 1.00 2.87 H new ATOM 0 HB3 MET A 50 0.753 16.994 6.898 1.00 2.87 H new ATOM 0 HG2 MET A 50 -0.522 17.572 4.875 1.00 4.40 H new ATOM 0 HG3 MET A 50 -1.346 18.865 5.724 1.00 4.40 H new ATOM 0 HE1 MET A 50 0.873 20.852 3.237 1.00 6.49 H new ATOM 0 HE2 MET A 50 0.036 19.304 2.968 1.00 6.49 H new ATOM 0 HE3 MET A 50 -0.759 20.596 3.899 1.00 6.49 H new ATOM 764 N ARG A 51 -2.632 18.071 9.029 1.00 1.76 N ATOM 765 CA ARG A 51 -3.665 18.999 9.501 1.00 1.91 C ATOM 766 C ARG A 51 -3.165 19.844 10.678 1.00 1.52 C ATOM 767 O ARG A 51 -2.316 19.410 11.460 1.00 1.25 O ATOM 768 CB ARG A 51 -4.978 18.257 9.844 1.00 2.18 C ATOM 769 CG ARG A 51 -4.938 17.443 11.154 1.00 3.98 C ATOM 770 CD ARG A 51 -6.223 16.646 11.431 1.00 4.91 C ATOM 771 NE ARG A 51 -7.406 17.513 11.604 1.00 6.07 N ATOM 772 CZ ARG A 51 -8.655 17.115 11.840 1.00 7.39 C ATOM 773 NH1 ARG A 51 -8.967 15.847 12.032 1.00 7.88 N ATOM 774 NH2 ARG A 51 -9.627 18.001 11.882 1.00 8.50 N ATOM 0 H ARG A 51 -1.947 17.848 9.751 1.00 1.76 H new ATOM 0 HA ARG A 51 -3.887 19.686 8.684 1.00 1.91 H new ATOM 0 HB2 ARG A 51 -5.785 18.987 9.911 1.00 2.18 H new ATOM 0 HB3 ARG A 51 -5.224 17.585 9.022 1.00 2.18 H new ATOM 0 HG2 ARG A 51 -4.095 16.753 11.116 1.00 3.98 H new ATOM 0 HG3 ARG A 51 -4.757 18.122 11.987 1.00 3.98 H new ATOM 0 HD2 ARG A 51 -6.402 15.955 10.607 1.00 4.91 H new ATOM 0 HD3 ARG A 51 -6.085 16.043 12.329 1.00 4.91 H new ATOM 0 HE ARG A 51 -7.251 18.519 11.536 1.00 6.07 H new ATOM 0 HH11 ARG A 51 -8.240 15.133 12.002 1.00 7.88 H new ATOM 0 HH12 ARG A 51 -9.936 15.581 12.210 1.00 7.88 H new ATOM 0 HH21 ARG A 51 -9.423 18.989 11.734 1.00 8.50 H new ATOM 0 HH22 ARG A 51 -10.585 17.699 12.062 1.00 8.50 H new ATOM 788 N GLU A 52 -3.777 21.009 10.846 1.00 1.75 N ATOM 789 CA GLU A 52 -3.609 21.841 12.029 1.00 1.50 C ATOM 790 C GLU A 52 -4.785 21.642 12.986 1.00 1.59 C ATOM 791 O GLU A 52 -5.915 21.413 12.551 1.00 2.02 O ATOM 792 CB GLU A 52 -3.460 23.318 11.614 1.00 1.77 C ATOM 793 CG GLU A 52 -2.335 24.003 12.385 1.00 2.13 C ATOM 794 CD GLU A 52 -0.957 23.388 12.141 1.00 2.49 C ATOM 795 OE1 GLU A 52 -0.799 22.524 11.256 1.00 2.83 O ATOM 796 OE2 GLU A 52 -0.050 23.763 12.911 1.00 3.44 O ATOM 0 H GLU A 52 -4.412 21.407 10.155 1.00 1.75 H new ATOM 0 HA GLU A 52 -2.701 21.545 12.554 1.00 1.50 H new ATOM 0 HB2 GLU A 52 -3.259 23.378 10.544 1.00 1.77 H new ATOM 0 HB3 GLU A 52 -4.398 23.844 11.792 1.00 1.77 H new ATOM 0 HG2 GLU A 52 -2.307 25.057 12.108 1.00 2.13 H new ATOM 0 HG3 GLU A 52 -2.559 23.959 13.451 1.00 2.13 H new ATOM 803 N VAL A 53 -4.518 21.760 14.285 1.00 1.48 N ATOM 804 CA VAL A 53 -5.523 21.900 15.350 1.00 1.85 C ATOM 805 C VAL A 53 -4.950 22.899 16.357 1.00 2.09 C ATOM 806 O VAL A 53 -3.841 22.685 16.837 1.00 3.50 O ATOM 807 CB VAL A 53 -5.823 20.547 16.047 1.00 2.06 C ATOM 808 CG1 VAL A 53 -6.885 20.725 17.148 1.00 2.62 C ATOM 809 CG2 VAL A 53 -6.325 19.467 15.069 1.00 2.31 C ATOM 0 H VAL A 53 -3.563 21.761 14.643 1.00 1.48 H new ATOM 0 HA VAL A 53 -6.468 22.244 14.930 1.00 1.85 H new ATOM 0 HB VAL A 53 -4.876 20.216 16.472 1.00 2.06 H new ATOM 0 HG11 VAL A 53 -7.080 19.764 17.624 1.00 2.62 H new ATOM 0 HG12 VAL A 53 -6.521 21.432 17.894 1.00 2.62 H new ATOM 0 HG13 VAL A 53 -7.806 21.105 16.707 1.00 2.62 H new ATOM 0 HG21 VAL A 53 -6.518 18.543 15.615 1.00 2.31 H new ATOM 0 HG22 VAL A 53 -7.245 19.806 14.593 1.00 2.31 H new ATOM 0 HG23 VAL A 53 -5.568 19.286 14.306 1.00 2.31 H new ATOM 819 N GLU A 54 -5.654 24.007 16.629 1.00 1.74 N ATOM 820 CA GLU A 54 -5.221 25.045 17.591 1.00 1.82 C ATOM 821 C GLU A 54 -3.893 25.728 17.156 1.00 1.66 C ATOM 822 O GLU A 54 -3.128 26.224 17.975 1.00 1.91 O ATOM 823 CB GLU A 54 -5.153 24.409 19.000 1.00 2.02 C ATOM 824 CG GLU A 54 -5.186 25.359 20.210 1.00 2.92 C ATOM 825 CD GLU A 54 -4.603 24.648 21.434 1.00 3.04 C ATOM 826 OE1 GLU A 54 -4.992 23.489 21.700 1.00 2.91 O ATOM 827 OE2 GLU A 54 -3.607 25.133 22.016 1.00 3.88 O ATOM 0 H GLU A 54 -6.549 24.215 16.186 1.00 1.74 H new ATOM 0 HA GLU A 54 -5.950 25.855 17.614 1.00 1.82 H new ATOM 0 HB2 GLU A 54 -5.987 23.713 19.096 1.00 2.02 H new ATOM 0 HB3 GLU A 54 -4.238 23.820 19.059 1.00 2.02 H new ATOM 0 HG2 GLU A 54 -4.614 26.261 19.993 1.00 2.92 H new ATOM 0 HG3 GLU A 54 -6.210 25.672 20.412 1.00 2.92 H new ATOM 834 N GLY A 55 -3.560 25.688 15.854 1.00 1.47 N ATOM 835 CA GLY A 55 -2.281 26.179 15.307 1.00 1.55 C ATOM 836 C GLY A 55 -1.077 25.262 15.587 1.00 1.52 C ATOM 837 O GLY A 55 0.058 25.589 15.229 1.00 1.82 O ATOM 0 H GLY A 55 -4.181 25.308 15.140 1.00 1.47 H new ATOM 0 HA2 GLY A 55 -2.385 26.304 14.229 1.00 1.55 H new ATOM 0 HA3 GLY A 55 -2.076 27.165 15.724 1.00 1.55 H new ATOM 841 N LYS A 56 -1.322 24.106 16.211 1.00 1.34 N ATOM 842 CA LYS A 56 -0.388 23.005 16.395 1.00 1.40 C ATOM 843 C LYS A 56 -0.609 21.937 15.302 1.00 1.25 C ATOM 844 O LYS A 56 -1.743 21.647 14.905 1.00 1.12 O ATOM 845 CB LYS A 56 -0.585 22.467 17.824 1.00 1.56 C ATOM 846 CG LYS A 56 -0.135 23.475 18.909 1.00 2.36 C ATOM 847 CD LYS A 56 -1.178 23.713 20.014 1.00 2.57 C ATOM 848 CE LYS A 56 -1.372 22.492 20.927 1.00 2.53 C ATOM 849 NZ LYS A 56 -2.400 22.749 21.964 1.00 2.72 N ATOM 0 H LYS A 56 -2.234 23.908 16.624 1.00 1.34 H new ATOM 0 HA LYS A 56 0.648 23.328 16.288 1.00 1.40 H new ATOM 0 HB2 LYS A 56 -1.637 22.223 17.974 1.00 1.56 H new ATOM 0 HB3 LYS A 56 -0.023 21.540 17.940 1.00 1.56 H new ATOM 0 HG2 LYS A 56 0.787 23.114 19.365 1.00 2.36 H new ATOM 0 HG3 LYS A 56 0.097 24.427 18.432 1.00 2.36 H new ATOM 0 HD2 LYS A 56 -0.871 24.567 20.618 1.00 2.57 H new ATOM 0 HD3 LYS A 56 -2.132 23.973 19.556 1.00 2.57 H new ATOM 0 HE2 LYS A 56 -1.666 21.631 20.327 1.00 2.53 H new ATOM 0 HE3 LYS A 56 -0.426 22.240 21.405 1.00 2.53 H new ATOM 0 HZ1 LYS A 56 -2.151 22.237 22.834 1.00 2.72 H new ATOM 0 HZ2 LYS A 56 -2.445 23.769 22.163 1.00 2.72 H new ATOM 0 HZ3 LYS A 56 -3.326 22.421 21.623 1.00 2.72 H new ATOM 863 N LYS A 57 0.489 21.356 14.815 1.00 1.38 N ATOM 864 CA LYS A 57 0.522 20.505 13.619 1.00 1.37 C ATOM 865 C LYS A 57 0.384 19.020 13.987 1.00 1.26 C ATOM 866 O LYS A 57 1.015 18.563 14.938 1.00 1.47 O ATOM 867 CB LYS A 57 1.774 20.790 12.748 1.00 1.78 C ATOM 868 CG LYS A 57 3.074 21.288 13.425 1.00 2.14 C ATOM 869 CD LYS A 57 3.124 22.781 13.827 1.00 3.24 C ATOM 870 CE LYS A 57 2.930 23.753 12.652 1.00 3.76 C ATOM 871 NZ LYS A 57 2.258 25.003 13.087 1.00 5.10 N ATOM 0 H LYS A 57 1.405 21.466 15.251 1.00 1.38 H new ATOM 0 HA LYS A 57 -0.343 20.758 13.006 1.00 1.37 H new ATOM 0 HB2 LYS A 57 2.015 19.872 12.212 1.00 1.78 H new ATOM 0 HB3 LYS A 57 1.490 21.531 12.000 1.00 1.78 H new ATOM 0 HG2 LYS A 57 3.241 20.689 14.320 1.00 2.14 H new ATOM 0 HG3 LYS A 57 3.906 21.090 12.749 1.00 2.14 H new ATOM 0 HD2 LYS A 57 2.353 22.971 14.573 1.00 3.24 H new ATOM 0 HD3 LYS A 57 4.084 22.987 14.301 1.00 3.24 H new ATOM 0 HE2 LYS A 57 3.898 23.993 12.213 1.00 3.76 H new ATOM 0 HE3 LYS A 57 2.338 23.272 11.874 1.00 3.76 H new ATOM 0 HZ1 LYS A 57 2.560 25.790 12.478 1.00 5.10 H new ATOM 0 HZ2 LYS A 57 1.227 24.886 13.015 1.00 5.10 H new ATOM 0 HZ3 LYS A 57 2.515 25.210 14.073 1.00 5.10 H new ATOM 885 N VAL A 58 -0.455 18.290 13.247 1.00 1.10 N ATOM 886 CA VAL A 58 -0.869 16.900 13.514 1.00 1.05 C ATOM 887 C VAL A 58 -0.990 16.146 12.183 1.00 1.08 C ATOM 888 O VAL A 58 -1.474 16.711 11.208 1.00 1.26 O ATOM 889 CB VAL A 58 -2.232 16.859 14.252 1.00 1.03 C ATOM 890 CG1 VAL A 58 -2.700 15.425 14.556 1.00 1.37 C ATOM 891 CG2 VAL A 58 -2.218 17.655 15.570 1.00 1.40 C ATOM 0 H VAL A 58 -0.888 18.666 12.403 1.00 1.10 H new ATOM 0 HA VAL A 58 -0.118 16.429 14.149 1.00 1.05 H new ATOM 0 HB VAL A 58 -2.933 17.325 13.559 1.00 1.03 H new ATOM 0 HG11 VAL A 58 -3.659 15.457 15.073 1.00 1.37 H new ATOM 0 HG12 VAL A 58 -2.809 14.872 13.623 1.00 1.37 H new ATOM 0 HG13 VAL A 58 -1.964 14.928 15.188 1.00 1.37 H new ATOM 0 HG21 VAL A 58 -3.198 17.592 16.044 1.00 1.40 H new ATOM 0 HG22 VAL A 58 -1.464 17.239 16.238 1.00 1.40 H new ATOM 0 HG23 VAL A 58 -1.982 18.699 15.362 1.00 1.40 H new ATOM 901 N MET A 59 -0.591 14.873 12.141 1.00 1.18 N ATOM 902 CA MET A 59 -0.760 13.993 10.972 1.00 1.28 C ATOM 903 C MET A 59 -1.670 12.809 11.328 1.00 0.99 C ATOM 904 O MET A 59 -1.634 12.326 12.459 1.00 1.33 O ATOM 905 CB MET A 59 0.613 13.513 10.471 1.00 1.93 C ATOM 906 CG MET A 59 1.264 14.466 9.454 1.00 3.26 C ATOM 907 SD MET A 59 1.537 16.200 9.933 1.00 4.70 S ATOM 908 CE MET A 59 2.676 16.005 11.326 1.00 3.88 C ATOM 0 H MET A 59 -0.134 14.413 12.928 1.00 1.18 H new ATOM 0 HA MET A 59 -1.237 14.552 10.167 1.00 1.28 H new ATOM 0 HB2 MET A 59 1.281 13.394 11.324 1.00 1.93 H new ATOM 0 HB3 MET A 59 0.501 12.529 10.015 1.00 1.93 H new ATOM 0 HG2 MET A 59 2.230 14.044 9.176 1.00 3.26 H new ATOM 0 HG3 MET A 59 0.646 14.464 8.556 1.00 3.26 H new ATOM 0 HE1 MET A 59 2.934 16.986 11.725 1.00 3.88 H new ATOM 0 HE2 MET A 59 2.199 15.410 12.105 1.00 3.88 H new ATOM 0 HE3 MET A 59 3.582 15.501 10.988 1.00 3.88 H new ATOM 918 N GLY A 60 -2.487 12.343 10.377 1.00 0.88 N ATOM 919 CA GLY A 60 -3.433 11.223 10.544 1.00 0.95 C ATOM 920 C GLY A 60 -3.705 10.482 9.234 1.00 0.85 C ATOM 921 O GLY A 60 -3.336 10.969 8.175 1.00 1.20 O ATOM 0 H GLY A 60 -2.512 12.744 9.439 1.00 0.88 H new ATOM 0 HA2 GLY A 60 -3.034 10.522 11.278 1.00 0.95 H new ATOM 0 HA3 GLY A 60 -4.373 11.603 10.944 1.00 0.95 H new ATOM 925 N MET A 61 -4.365 9.321 9.283 1.00 0.81 N ATOM 926 CA MET A 61 -4.616 8.481 8.096 1.00 0.71 C ATOM 927 C MET A 61 -6.027 8.663 7.515 1.00 0.66 C ATOM 928 O MET A 61 -6.977 8.980 8.238 1.00 0.80 O ATOM 929 CB MET A 61 -4.354 6.999 8.411 1.00 0.81 C ATOM 930 CG MET A 61 -2.868 6.707 8.657 1.00 0.98 C ATOM 931 SD MET A 61 -2.184 7.249 10.246 1.00 1.46 S ATOM 932 CE MET A 61 -0.484 6.685 10.003 1.00 1.55 C ATOM 0 H MET A 61 -4.743 8.932 10.147 1.00 0.81 H new ATOM 0 HA MET A 61 -3.916 8.816 7.331 1.00 0.71 H new ATOM 0 HB2 MET A 61 -4.929 6.710 9.291 1.00 0.81 H new ATOM 0 HB3 MET A 61 -4.710 6.386 7.583 1.00 0.81 H new ATOM 0 HG2 MET A 61 -2.713 5.632 8.569 1.00 0.98 H new ATOM 0 HG3 MET A 61 -2.292 7.178 7.860 1.00 0.98 H new ATOM 0 HE1 MET A 61 0.110 6.928 10.884 1.00 1.55 H new ATOM 0 HE2 MET A 61 -0.477 5.606 9.848 1.00 1.55 H new ATOM 0 HE3 MET A 61 -0.058 7.180 9.130 1.00 1.55 H new ATOM 942 N ARG A 62 -6.166 8.445 6.202 1.00 0.55 N ATOM 943 CA ARG A 62 -7.439 8.484 5.459 1.00 0.53 C ATOM 944 C ARG A 62 -7.270 7.818 4.082 1.00 0.42 C ATOM 945 O ARG A 62 -6.190 7.978 3.506 1.00 0.41 O ATOM 946 CB ARG A 62 -7.922 9.941 5.268 1.00 0.69 C ATOM 947 CG ARG A 62 -9.344 10.159 5.808 1.00 1.99 C ATOM 948 CD ARG A 62 -9.907 11.526 5.400 1.00 2.30 C ATOM 949 NE ARG A 62 -11.324 11.646 5.804 1.00 4.02 N ATOM 950 CZ ARG A 62 -12.260 12.417 5.253 1.00 4.74 C ATOM 951 NH1 ARG A 62 -11.998 13.223 4.243 1.00 4.21 N ATOM 952 NH2 ARG A 62 -13.491 12.370 5.715 1.00 6.54 N ATOM 0 H ARG A 62 -5.369 8.229 5.603 1.00 0.55 H new ATOM 0 HA ARG A 62 -8.184 7.940 6.039 1.00 0.53 H new ATOM 0 HB2 ARG A 62 -7.235 10.619 5.775 1.00 0.69 H new ATOM 0 HB3 ARG A 62 -7.895 10.194 4.208 1.00 0.69 H new ATOM 0 HG2 ARG A 62 -9.999 9.371 5.436 1.00 1.99 H new ATOM 0 HG3 ARG A 62 -9.336 10.079 6.895 1.00 1.99 H new ATOM 0 HD2 ARG A 62 -9.322 12.320 5.865 1.00 2.30 H new ATOM 0 HD3 ARG A 62 -9.818 11.655 4.321 1.00 2.30 H new ATOM 0 HE ARG A 62 -11.618 11.073 6.595 1.00 4.02 H new ATOM 0 HH11 ARG A 62 -11.054 13.270 3.859 1.00 4.21 H new ATOM 0 HH12 ARG A 62 -12.739 13.800 3.845 1.00 4.21 H new ATOM 0 HH21 ARG A 62 -13.722 11.747 6.489 1.00 6.54 H new ATOM 0 HH22 ARG A 62 -14.214 12.957 5.299 1.00 6.54 H new ATOM 966 N PRO A 63 -8.296 7.142 3.520 1.00 0.44 N ATOM 967 CA PRO A 63 -8.222 6.634 2.159 1.00 0.42 C ATOM 968 C PRO A 63 -8.225 7.773 1.140 1.00 0.41 C ATOM 969 O PRO A 63 -8.775 8.845 1.396 1.00 0.45 O ATOM 970 CB PRO A 63 -9.376 5.660 1.950 1.00 0.51 C ATOM 971 CG PRO A 63 -10.241 5.782 3.196 1.00 0.69 C ATOM 972 CD PRO A 63 -9.612 6.868 4.073 1.00 0.52 C ATOM 0 HA PRO A 63 -7.281 6.105 2.006 1.00 0.42 H new ATOM 0 HB2 PRO A 63 -9.943 5.909 1.053 1.00 0.51 H new ATOM 0 HB3 PRO A 63 -9.011 4.641 1.824 1.00 0.51 H new ATOM 0 HG2 PRO A 63 -11.265 6.046 2.930 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -10.285 4.833 3.730 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -10.226 7.768 4.074 1.00 0.52 H new ATOM 0 HD3 PRO A 63 -9.535 6.533 5.108 1.00 0.52 H new ATOM 980 N VAL A 64 -7.630 7.493 -0.019 1.00 0.41 N ATOM 981 CA VAL A 64 -7.580 8.376 -1.197 1.00 0.41 C ATOM 982 C VAL A 64 -8.167 7.668 -2.426 1.00 0.42 C ATOM 983 O VAL A 64 -8.182 6.435 -2.457 1.00 0.42 O ATOM 984 CB VAL A 64 -6.137 8.845 -1.519 1.00 0.42 C ATOM 985 CG1 VAL A 64 -5.757 10.020 -0.617 1.00 0.47 C ATOM 986 CG2 VAL A 64 -5.078 7.739 -1.399 1.00 0.46 C ATOM 0 H VAL A 64 -7.147 6.608 -0.175 1.00 0.41 H new ATOM 0 HA VAL A 64 -8.176 9.256 -0.955 1.00 0.41 H new ATOM 0 HB VAL A 64 -6.146 9.149 -2.566 1.00 0.42 H new ATOM 0 HG11 VAL A 64 -4.742 10.344 -0.849 1.00 0.47 H new ATOM 0 HG12 VAL A 64 -6.449 10.846 -0.784 1.00 0.47 H new ATOM 0 HG13 VAL A 64 -5.809 9.709 0.426 1.00 0.47 H new ATOM 0 HG21 VAL A 64 -4.097 8.147 -1.640 1.00 0.46 H new ATOM 0 HG22 VAL A 64 -5.070 7.352 -0.380 1.00 0.46 H new ATOM 0 HG23 VAL A 64 -5.315 6.932 -2.092 1.00 0.46 H new ATOM 996 N PRO A 65 -8.629 8.411 -3.454 1.00 0.46 N ATOM 997 CA PRO A 65 -9.130 7.818 -4.690 1.00 0.49 C ATOM 998 C PRO A 65 -8.022 7.177 -5.540 1.00 0.44 C ATOM 999 O PRO A 65 -8.348 6.364 -6.402 1.00 0.46 O ATOM 1000 CB PRO A 65 -9.811 8.968 -5.439 1.00 0.58 C ATOM 1001 CG PRO A 65 -9.038 10.198 -4.971 1.00 0.56 C ATOM 1002 CD PRO A 65 -8.737 9.864 -3.511 1.00 0.51 C ATOM 0 HA PRO A 65 -9.816 6.999 -4.474 1.00 0.49 H new ATOM 0 HB2 PRO A 65 -9.746 8.839 -6.519 1.00 0.58 H new ATOM 0 HB3 PRO A 65 -10.870 9.039 -5.190 1.00 0.58 H new ATOM 0 HG2 PRO A 65 -8.126 10.348 -5.549 1.00 0.56 H new ATOM 0 HG3 PRO A 65 -9.629 11.109 -5.065 1.00 0.56 H new ATOM 0 HD2 PRO A 65 -7.812 10.339 -3.183 1.00 0.51 H new ATOM 0 HD3 PRO A 65 -9.530 10.224 -2.855 1.00 0.51 H new ATOM 1010 N PHE A 66 -6.743 7.520 -5.305 1.00 0.41 N ATOM 1011 CA PHE A 66 -5.566 7.002 -6.010 1.00 0.40 C ATOM 1012 C PHE A 66 -4.264 7.589 -5.443 1.00 0.43 C ATOM 1013 O PHE A 66 -4.260 8.607 -4.751 1.00 0.50 O ATOM 1014 CB PHE A 66 -5.656 7.226 -7.535 1.00 0.44 C ATOM 1015 CG PHE A 66 -5.846 8.657 -8.003 1.00 0.51 C ATOM 1016 CD1 PHE A 66 -4.740 9.517 -8.139 1.00 1.56 C ATOM 1017 CD2 PHE A 66 -7.131 9.116 -8.349 1.00 1.72 C ATOM 1018 CE1 PHE A 66 -4.918 10.826 -8.616 1.00 1.56 C ATOM 1019 CE2 PHE A 66 -7.310 10.428 -8.824 1.00 1.81 C ATOM 1020 CZ PHE A 66 -6.202 11.282 -8.958 1.00 0.77 C ATOM 0 H PHE A 66 -6.495 8.198 -4.584 1.00 0.41 H new ATOM 0 HA PHE A 66 -5.549 5.925 -5.841 1.00 0.40 H new ATOM 0 HB2 PHE A 66 -4.745 6.837 -7.990 1.00 0.44 H new ATOM 0 HB3 PHE A 66 -6.484 6.630 -7.918 1.00 0.44 H new ATOM 0 HD1 PHE A 66 -3.752 9.169 -7.876 1.00 1.56 H new ATOM 0 HD2 PHE A 66 -7.982 8.459 -8.249 1.00 1.72 H new ATOM 0 HE1 PHE A 66 -4.067 11.483 -8.720 1.00 1.56 H new ATOM 0 HE2 PHE A 66 -8.298 10.778 -9.085 1.00 1.81 H new ATOM 0 HZ PHE A 66 -6.338 12.289 -9.324 1.00 0.77 H new ATOM 1030 N LEU A 67 -3.154 6.953 -5.813 1.00 0.44 N ATOM 1031 CA LEU A 67 -1.816 7.534 -5.919 1.00 0.44 C ATOM 1032 C LEU A 67 -1.399 7.603 -7.397 1.00 0.43 C ATOM 1033 O LEU A 67 -2.051 7.023 -8.267 1.00 0.43 O ATOM 1034 CB LEU A 67 -0.819 6.659 -5.129 1.00 0.47 C ATOM 1035 CG LEU A 67 -0.431 7.203 -3.745 1.00 0.55 C ATOM 1036 CD1 LEU A 67 0.607 6.232 -3.162 1.00 0.97 C ATOM 1037 CD2 LEU A 67 0.210 8.600 -3.812 1.00 0.83 C ATOM 0 H LEU A 67 -3.164 5.964 -6.061 1.00 0.44 H new ATOM 0 HA LEU A 67 -1.818 8.542 -5.505 1.00 0.44 H new ATOM 0 HB2 LEU A 67 -1.250 5.666 -5.004 1.00 0.47 H new ATOM 0 HB3 LEU A 67 0.087 6.541 -5.723 1.00 0.47 H new ATOM 0 HG LEU A 67 -1.333 7.287 -3.139 1.00 0.55 H new ATOM 0 HD11 LEU A 67 0.915 6.578 -2.175 1.00 0.97 H new ATOM 0 HD12 LEU A 67 0.168 5.238 -3.078 1.00 0.97 H new ATOM 0 HD13 LEU A 67 1.476 6.191 -3.819 1.00 0.97 H new ATOM 0 HD21 LEU A 67 0.463 8.933 -2.805 1.00 0.83 H new ATOM 0 HD22 LEU A 67 1.115 8.556 -4.418 1.00 0.83 H new ATOM 0 HD23 LEU A 67 -0.493 9.302 -4.260 1.00 0.83 H new ATOM 1049 N GLU A 68 -0.262 8.230 -7.685 1.00 0.48 N ATOM 1050 CA GLU A 68 0.340 8.193 -9.018 1.00 0.52 C ATOM 1051 C GLU A 68 1.841 8.447 -8.985 1.00 0.59 C ATOM 1052 O GLU A 68 2.397 8.813 -7.952 1.00 0.64 O ATOM 1053 CB GLU A 68 -0.394 9.118 -9.998 1.00 0.61 C ATOM 1054 CG GLU A 68 -0.091 10.609 -9.869 1.00 0.80 C ATOM 1055 CD GLU A 68 -1.036 11.317 -10.831 1.00 1.00 C ATOM 1056 OE1 GLU A 68 -2.241 11.385 -10.522 1.00 1.80 O ATOM 1057 OE2 GLU A 68 -0.646 11.628 -11.974 1.00 1.84 O ATOM 0 H GLU A 68 0.268 8.776 -7.006 1.00 0.48 H new ATOM 0 HA GLU A 68 0.217 7.177 -9.394 1.00 0.52 H new ATOM 0 HB2 GLU A 68 -0.150 8.805 -11.013 1.00 0.61 H new ATOM 0 HB3 GLU A 68 -1.467 8.973 -9.869 1.00 0.61 H new ATOM 0 HG2 GLU A 68 -0.248 10.951 -8.846 1.00 0.80 H new ATOM 0 HG3 GLU A 68 0.949 10.818 -10.119 1.00 0.80 H new ATOM 1064 N VAL A 69 2.483 8.200 -10.124 1.00 0.66 N ATOM 1065 CA VAL A 69 3.935 8.123 -10.263 1.00 0.69 C ATOM 1066 C VAL A 69 4.347 8.576 -11.671 1.00 0.70 C ATOM 1067 O VAL A 69 3.755 8.100 -12.646 1.00 0.70 O ATOM 1068 CB VAL A 69 4.451 6.673 -10.044 1.00 0.73 C ATOM 1069 CG1 VAL A 69 5.942 6.682 -9.687 1.00 0.80 C ATOM 1070 CG2 VAL A 69 3.718 5.867 -8.953 1.00 0.76 C ATOM 0 H VAL A 69 1.991 8.043 -11.004 1.00 0.66 H new ATOM 0 HA VAL A 69 4.373 8.773 -9.506 1.00 0.69 H new ATOM 0 HB VAL A 69 4.255 6.178 -10.995 1.00 0.73 H new ATOM 0 HG11 VAL A 69 6.286 5.659 -9.537 1.00 0.80 H new ATOM 0 HG12 VAL A 69 6.508 7.140 -10.498 1.00 0.80 H new ATOM 0 HG13 VAL A 69 6.093 7.254 -8.771 1.00 0.80 H new ATOM 0 HG21 VAL A 69 4.155 4.871 -8.881 1.00 0.76 H new ATOM 0 HG22 VAL A 69 3.818 6.377 -7.995 1.00 0.76 H new ATOM 0 HG23 VAL A 69 2.662 5.782 -9.211 1.00 0.76 H new ATOM 1080 N PRO A 70 5.364 9.445 -11.817 1.00 0.72 N ATOM 1081 CA PRO A 70 5.931 9.767 -13.119 1.00 0.71 C ATOM 1082 C PRO A 70 6.776 8.596 -13.656 1.00 0.69 C ATOM 1083 O PRO A 70 7.158 7.712 -12.886 1.00 0.76 O ATOM 1084 CB PRO A 70 6.783 11.017 -12.885 1.00 0.78 C ATOM 1085 CG PRO A 70 7.264 10.840 -11.446 1.00 0.82 C ATOM 1086 CD PRO A 70 6.077 10.160 -10.764 1.00 0.78 C ATOM 0 HA PRO A 70 5.161 9.944 -13.870 1.00 0.71 H new ATOM 0 HB2 PRO A 70 7.617 11.074 -13.585 1.00 0.78 H new ATOM 0 HB3 PRO A 70 6.201 11.931 -13.007 1.00 0.78 H new ATOM 0 HG2 PRO A 70 8.164 10.227 -11.394 1.00 0.82 H new ATOM 0 HG3 PRO A 70 7.503 11.796 -10.980 1.00 0.82 H new ATOM 0 HD2 PRO A 70 6.414 9.475 -9.986 1.00 0.78 H new ATOM 0 HD3 PRO A 70 5.430 10.894 -10.284 1.00 0.78 H new ATOM 1094 N PRO A 71 7.099 8.590 -14.962 1.00 0.69 N ATOM 1095 CA PRO A 71 8.005 7.615 -15.550 1.00 0.70 C ATOM 1096 C PRO A 71 9.408 7.721 -14.951 1.00 0.74 C ATOM 1097 O PRO A 71 9.867 8.809 -14.607 1.00 0.76 O ATOM 1098 CB PRO A 71 7.984 7.868 -17.053 1.00 0.75 C ATOM 1099 CG PRO A 71 7.457 9.291 -17.217 1.00 0.77 C ATOM 1100 CD PRO A 71 6.634 9.541 -15.959 1.00 0.73 C ATOM 0 HA PRO A 71 7.688 6.594 -15.336 1.00 0.70 H new ATOM 0 HB2 PRO A 71 8.981 7.766 -17.483 1.00 0.75 H new ATOM 0 HB3 PRO A 71 7.342 7.150 -17.563 1.00 0.75 H new ATOM 0 HG2 PRO A 71 8.273 10.008 -17.307 1.00 0.77 H new ATOM 0 HG3 PRO A 71 6.848 9.387 -18.116 1.00 0.77 H new ATOM 0 HD2 PRO A 71 6.764 10.565 -15.608 1.00 0.73 H new ATOM 0 HD3 PRO A 71 5.571 9.405 -16.158 1.00 0.73 H new ATOM 1108 N LYS A 72 10.059 6.561 -14.785 1.00 0.80 N ATOM 1109 CA LYS A 72 11.364 6.365 -14.115 1.00 0.91 C ATOM 1110 C LYS A 72 11.324 6.640 -12.598 1.00 0.95 C ATOM 1111 O LYS A 72 12.325 6.509 -11.894 1.00 1.09 O ATOM 1112 CB LYS A 72 12.477 7.156 -14.826 1.00 1.00 C ATOM 1113 CG LYS A 72 12.430 7.058 -16.357 1.00 1.10 C ATOM 1114 CD LYS A 72 12.524 5.624 -16.905 1.00 1.09 C ATOM 1115 CE LYS A 72 12.230 5.639 -18.406 1.00 1.14 C ATOM 1116 NZ LYS A 72 12.098 4.276 -18.964 1.00 1.44 N ATOM 0 H LYS A 72 9.673 5.683 -15.132 1.00 0.80 H new ATOM 0 HA LYS A 72 11.601 5.305 -14.204 1.00 0.91 H new ATOM 0 HB2 LYS A 72 12.406 8.204 -14.537 1.00 1.00 H new ATOM 0 HB3 LYS A 72 13.445 6.795 -14.478 1.00 1.00 H new ATOM 0 HG2 LYS A 72 11.502 7.509 -16.709 1.00 1.10 H new ATOM 0 HG3 LYS A 72 13.248 7.647 -16.772 1.00 1.10 H new ATOM 0 HD2 LYS A 72 13.518 5.216 -16.721 1.00 1.09 H new ATOM 0 HD3 LYS A 72 11.814 4.978 -16.390 1.00 1.09 H new ATOM 0 HE2 LYS A 72 11.310 6.195 -18.589 1.00 1.14 H new ATOM 0 HE3 LYS A 72 13.030 6.166 -18.926 1.00 1.14 H new ATOM 0 HZ1 LYS A 72 12.896 4.083 -19.602 1.00 1.44 H new ATOM 0 HZ2 LYS A 72 12.099 3.582 -18.189 1.00 1.44 H new ATOM 0 HZ3 LYS A 72 11.206 4.202 -19.493 1.00 1.44 H new ATOM 1130 N GLY A 73 10.151 7.006 -12.084 1.00 0.88 N ATOM 1131 CA GLY A 73 9.882 7.327 -10.690 1.00 0.94 C ATOM 1132 C GLY A 73 9.732 6.061 -9.873 1.00 0.83 C ATOM 1133 O GLY A 73 8.795 5.288 -10.045 1.00 0.95 O ATOM 0 H GLY A 73 9.317 7.090 -12.666 1.00 0.88 H new ATOM 0 HA2 GLY A 73 10.694 7.933 -10.287 1.00 0.94 H new ATOM 0 HA3 GLY A 73 8.973 7.924 -10.617 1.00 0.94 H new ATOM 1137 N ARG A 74 10.664 5.895 -8.942 1.00 1.02 N ATOM 1138 CA ARG A 74 10.631 4.872 -7.889 1.00 1.07 C ATOM 1139 C ARG A 74 10.190 5.513 -6.563 1.00 1.17 C ATOM 1140 O ARG A 74 10.915 6.322 -5.990 1.00 1.56 O ATOM 1141 CB ARG A 74 11.963 4.071 -7.886 1.00 1.29 C ATOM 1142 CG ARG A 74 12.948 4.233 -6.711 1.00 1.89 C ATOM 1143 CD ARG A 74 12.470 3.461 -5.474 1.00 1.78 C ATOM 1144 NE ARG A 74 13.294 3.714 -4.280 1.00 3.26 N ATOM 1145 CZ ARG A 74 12.990 4.567 -3.309 1.00 5.00 C ATOM 1146 NH1 ARG A 74 12.140 5.555 -3.464 1.00 6.16 N ATOM 1147 NH2 ARG A 74 13.518 4.428 -2.116 1.00 6.27 N ATOM 0 H ARG A 74 11.494 6.486 -8.893 1.00 1.02 H new ATOM 0 HA ARG A 74 9.875 4.109 -8.077 1.00 1.07 H new ATOM 0 HB2 ARG A 74 11.707 3.014 -7.954 1.00 1.29 H new ATOM 0 HB3 ARG A 74 12.500 4.328 -8.799 1.00 1.29 H new ATOM 0 HG2 ARG A 74 13.934 3.875 -7.008 1.00 1.89 H new ATOM 0 HG3 ARG A 74 13.054 5.290 -6.465 1.00 1.89 H new ATOM 0 HD2 ARG A 74 11.437 3.734 -5.259 1.00 1.78 H new ATOM 0 HD3 ARG A 74 12.478 2.393 -5.694 1.00 1.78 H new ATOM 0 HE ARG A 74 14.167 3.193 -4.192 1.00 3.26 H new ATOM 0 HH11 ARG A 74 11.679 5.695 -4.363 1.00 6.16 H new ATOM 0 HH12 ARG A 74 11.941 6.183 -2.686 1.00 6.16 H new ATOM 0 HH21 ARG A 74 14.165 3.662 -1.931 1.00 6.27 H new ATOM 0 HH22 ARG A 74 13.281 5.086 -1.374 1.00 6.27 H new ATOM 1161 N VAL A 75 9.008 5.163 -6.067 1.00 0.99 N ATOM 1162 CA VAL A 75 8.353 5.756 -4.884 1.00 1.03 C ATOM 1163 C VAL A 75 8.179 4.713 -3.770 1.00 1.00 C ATOM 1164 O VAL A 75 8.692 3.602 -3.869 1.00 1.54 O ATOM 1165 CB VAL A 75 7.009 6.435 -5.251 1.00 1.20 C ATOM 1166 CG1 VAL A 75 7.254 7.639 -6.175 1.00 1.41 C ATOM 1167 CG2 VAL A 75 6.004 5.462 -5.893 1.00 1.23 C ATOM 0 H VAL A 75 8.446 4.425 -6.491 1.00 0.99 H new ATOM 0 HA VAL A 75 9.008 6.540 -4.503 1.00 1.03 H new ATOM 0 HB VAL A 75 6.563 6.778 -4.318 1.00 1.20 H new ATOM 0 HG11 VAL A 75 6.301 8.106 -6.424 1.00 1.41 H new ATOM 0 HG12 VAL A 75 7.891 8.363 -5.668 1.00 1.41 H new ATOM 0 HG13 VAL A 75 7.743 7.303 -7.089 1.00 1.41 H new ATOM 0 HG21 VAL A 75 5.082 5.994 -6.128 1.00 1.23 H new ATOM 0 HG22 VAL A 75 6.430 5.051 -6.808 1.00 1.23 H new ATOM 0 HG23 VAL A 75 5.788 4.651 -5.198 1.00 1.23 H new ATOM 1177 N GLU A 76 7.506 5.084 -2.675 1.00 1.07 N ATOM 1178 CA GLU A 76 7.501 4.336 -1.417 1.00 1.13 C ATOM 1179 C GLU A 76 6.198 4.576 -0.638 1.00 1.04 C ATOM 1180 O GLU A 76 6.016 5.594 0.034 1.00 1.12 O ATOM 1181 CB GLU A 76 8.777 4.609 -0.573 1.00 1.51 C ATOM 1182 CG GLU A 76 9.536 5.892 -0.953 1.00 3.16 C ATOM 1183 CD GLU A 76 10.769 6.152 -0.093 1.00 3.10 C ATOM 1184 OE1 GLU A 76 10.606 6.496 1.098 1.00 3.65 O ATOM 1185 OE2 GLU A 76 11.883 6.053 -0.660 1.00 3.30 O ATOM 0 H GLU A 76 6.938 5.931 -2.640 1.00 1.07 H new ATOM 0 HA GLU A 76 7.530 3.273 -1.657 1.00 1.13 H new ATOM 0 HB2 GLU A 76 8.495 4.668 0.478 1.00 1.51 H new ATOM 0 HB3 GLU A 76 9.452 3.760 -0.675 1.00 1.51 H new ATOM 0 HG2 GLU A 76 9.840 5.828 -1.998 1.00 3.16 H new ATOM 0 HG3 GLU A 76 8.859 6.742 -0.869 1.00 3.16 H new ATOM 1192 N LEU A 77 5.309 3.578 -0.705 1.00 0.94 N ATOM 1193 CA LEU A 77 4.197 3.356 0.211 1.00 0.78 C ATOM 1194 C LEU A 77 4.748 2.911 1.571 1.00 0.79 C ATOM 1195 O LEU A 77 4.762 1.734 1.927 1.00 1.07 O ATOM 1196 CB LEU A 77 3.183 2.342 -0.363 1.00 0.74 C ATOM 1197 CG LEU A 77 2.287 2.873 -1.500 1.00 0.71 C ATOM 1198 CD1 LEU A 77 2.971 2.774 -2.874 1.00 0.73 C ATOM 1199 CD2 LEU A 77 0.972 2.078 -1.530 1.00 0.73 C ATOM 0 H LEU A 77 5.353 2.871 -1.439 1.00 0.94 H new ATOM 0 HA LEU A 77 3.650 4.289 0.344 1.00 0.78 H new ATOM 0 HB2 LEU A 77 3.731 1.474 -0.730 1.00 0.74 H new ATOM 0 HB3 LEU A 77 2.543 1.995 0.448 1.00 0.74 H new ATOM 0 HG LEU A 77 2.093 3.927 -1.300 1.00 0.71 H new ATOM 0 HD11 LEU A 77 2.301 3.160 -3.643 1.00 0.73 H new ATOM 0 HD12 LEU A 77 3.890 3.360 -2.866 1.00 0.73 H new ATOM 0 HD13 LEU A 77 3.207 1.732 -3.089 1.00 0.73 H new ATOM 0 HD21 LEU A 77 0.338 2.453 -2.334 1.00 0.73 H new ATOM 0 HD22 LEU A 77 1.188 1.023 -1.701 1.00 0.73 H new ATOM 0 HD23 LEU A 77 0.456 2.193 -0.577 1.00 0.73 H new ATOM 1211 N LYS A 78 5.254 3.897 2.304 1.00 0.84 N ATOM 1212 CA LYS A 78 5.813 3.816 3.649 1.00 0.87 C ATOM 1213 C LYS A 78 4.746 4.081 4.744 1.00 0.78 C ATOM 1214 O LYS A 78 3.853 4.899 4.510 1.00 0.78 O ATOM 1215 CB LYS A 78 6.986 4.816 3.698 1.00 0.97 C ATOM 1216 CG LYS A 78 6.573 6.285 3.437 1.00 1.01 C ATOM 1217 CD LYS A 78 7.741 7.132 2.919 1.00 1.22 C ATOM 1218 CE LYS A 78 8.863 7.259 3.955 1.00 2.17 C ATOM 1219 NZ LYS A 78 10.075 7.848 3.344 1.00 2.80 N ATOM 0 H LYS A 78 5.286 4.851 1.944 1.00 0.84 H new ATOM 0 HA LYS A 78 6.170 2.808 3.862 1.00 0.87 H new ATOM 0 HB2 LYS A 78 7.464 4.752 4.676 1.00 0.97 H new ATOM 0 HB3 LYS A 78 7.731 4.522 2.959 1.00 0.97 H new ATOM 0 HG2 LYS A 78 5.760 6.308 2.712 1.00 1.01 H new ATOM 0 HG3 LYS A 78 6.190 6.722 4.359 1.00 1.01 H new ATOM 0 HD2 LYS A 78 8.138 6.684 2.008 1.00 1.22 H new ATOM 0 HD3 LYS A 78 7.379 8.125 2.654 1.00 1.22 H new ATOM 0 HE2 LYS A 78 8.529 7.881 4.785 1.00 2.17 H new ATOM 0 HE3 LYS A 78 9.098 6.277 4.367 1.00 2.17 H new ATOM 0 HZ1 LYS A 78 10.787 8.020 4.082 1.00 2.80 H new ATOM 0 HZ2 LYS A 78 10.461 7.191 2.636 1.00 2.80 H new ATOM 0 HZ3 LYS A 78 9.830 8.748 2.884 1.00 2.80 H new ATOM 1233 N PRO A 79 4.852 3.449 5.937 1.00 0.79 N ATOM 1234 CA PRO A 79 3.820 3.452 6.981 1.00 0.84 C ATOM 1235 C PRO A 79 3.313 4.854 7.328 1.00 0.89 C ATOM 1236 O PRO A 79 2.160 5.146 7.039 1.00 1.05 O ATOM 1237 CB PRO A 79 4.411 2.703 8.185 1.00 0.88 C ATOM 1238 CG PRO A 79 5.905 2.611 7.889 1.00 0.90 C ATOM 1239 CD PRO A 79 5.955 2.601 6.363 1.00 0.86 C ATOM 0 HA PRO A 79 2.922 2.946 6.626 1.00 0.84 H new ATOM 0 HB2 PRO A 79 4.224 3.239 9.115 1.00 0.88 H new ATOM 0 HB3 PRO A 79 3.967 1.713 8.293 1.00 0.88 H new ATOM 0 HG2 PRO A 79 6.451 3.458 8.305 1.00 0.90 H new ATOM 0 HG3 PRO A 79 6.345 1.708 8.313 1.00 0.90 H new ATOM 0 HD2 PRO A 79 6.908 2.983 5.998 1.00 0.86 H new ATOM 0 HD3 PRO A 79 5.847 1.589 5.973 1.00 0.86 H new ATOM 1247 N GLY A 80 4.158 5.742 7.869 1.00 1.06 N ATOM 1248 CA GLY A 80 3.835 7.171 7.929 1.00 1.21 C ATOM 1249 C GLY A 80 4.132 7.790 6.568 1.00 1.08 C ATOM 1250 O GLY A 80 5.292 8.082 6.276 1.00 1.32 O ATOM 0 H GLY A 80 5.064 5.497 8.268 1.00 1.06 H new ATOM 0 HA2 GLY A 80 2.786 7.312 8.189 1.00 1.21 H new ATOM 0 HA3 GLY A 80 4.424 7.660 8.705 1.00 1.21 H new ATOM 1254 N GLY A 81 3.102 7.938 5.730 1.00 0.93 N ATOM 1255 CA GLY A 81 3.217 8.309 4.314 1.00 0.83 C ATOM 1256 C GLY A 81 2.017 7.843 3.492 1.00 0.67 C ATOM 1257 O GLY A 81 1.036 8.566 3.373 1.00 0.77 O ATOM 0 H GLY A 81 2.136 7.799 6.026 1.00 0.93 H new ATOM 0 HA2 GLY A 81 3.313 9.392 4.231 1.00 0.83 H new ATOM 0 HA3 GLY A 81 4.128 7.876 3.900 1.00 0.83 H new ATOM 1261 N TYR A 82 2.100 6.635 2.925 1.00 0.54 N ATOM 1262 CA TYR A 82 1.080 5.999 2.066 1.00 0.49 C ATOM 1263 C TYR A 82 1.110 4.478 2.249 1.00 0.50 C ATOM 1264 O TYR A 82 2.183 3.899 2.373 1.00 0.57 O ATOM 1265 CB TYR A 82 1.317 6.340 0.590 1.00 0.54 C ATOM 1266 CG TYR A 82 1.364 7.820 0.278 1.00 0.56 C ATOM 1267 CD1 TYR A 82 0.177 8.525 0.005 1.00 1.91 C ATOM 1268 CD2 TYR A 82 2.602 8.491 0.270 1.00 2.04 C ATOM 1269 CE1 TYR A 82 0.222 9.904 -0.266 1.00 1.94 C ATOM 1270 CE2 TYR A 82 2.654 9.873 0.019 1.00 2.06 C ATOM 1271 CZ TYR A 82 1.460 10.584 -0.257 1.00 0.67 C ATOM 1272 OH TYR A 82 1.505 11.915 -0.532 1.00 0.74 O ATOM 0 H TYR A 82 2.918 6.040 3.055 1.00 0.54 H new ATOM 0 HA TYR A 82 0.104 6.383 2.362 1.00 0.49 H new ATOM 0 HB2 TYR A 82 2.256 5.887 0.274 1.00 0.54 H new ATOM 0 HB3 TYR A 82 0.526 5.883 -0.005 1.00 0.54 H new ATOM 0 HD1 TYR A 82 -0.770 8.006 0.004 1.00 1.91 H new ATOM 0 HD2 TYR A 82 3.513 7.943 0.457 1.00 2.04 H new ATOM 0 HE1 TYR A 82 -0.689 10.443 -0.481 1.00 1.94 H new ATOM 0 HE2 TYR A 82 3.601 10.391 0.036 1.00 2.06 H new ATOM 0 HH TYR A 82 2.432 12.228 -0.483 1.00 0.74 H new ATOM 1282 N HIS A 83 -0.033 3.798 2.256 1.00 0.49 N ATOM 1283 CA HIS A 83 -0.117 2.367 2.587 1.00 0.52 C ATOM 1284 C HIS A 83 -1.506 1.819 2.250 1.00 0.49 C ATOM 1285 O HIS A 83 -2.424 2.595 1.978 1.00 0.52 O ATOM 1286 CB HIS A 83 0.252 2.135 4.066 1.00 0.58 C ATOM 1287 CG HIS A 83 -0.499 2.992 5.048 1.00 0.64 C ATOM 1288 ND1 HIS A 83 -0.097 4.224 5.517 1.00 0.87 N ATOM 1289 CD2 HIS A 83 -1.659 2.671 5.696 1.00 0.68 C ATOM 1290 CE1 HIS A 83 -0.997 4.636 6.417 1.00 1.01 C ATOM 1291 NE2 HIS A 83 -1.966 3.721 6.568 1.00 0.89 N ATOM 0 H HIS A 83 -0.934 4.220 2.032 1.00 0.49 H new ATOM 0 HA HIS A 83 0.604 1.819 1.980 1.00 0.52 H new ATOM 0 HB2 HIS A 83 0.074 1.088 4.310 1.00 0.58 H new ATOM 0 HB3 HIS A 83 1.320 2.315 4.191 1.00 0.58 H new ATOM 0 HD1 HIS A 83 0.739 4.732 5.229 1.00 0.87 H new ATOM 0 HD2 HIS A 83 -2.236 1.768 5.559 1.00 0.68 H new ATOM 0 HE1 HIS A 83 -0.950 5.575 6.948 1.00 1.01 H new ATOM 1299 N PHE A 84 -1.685 0.495 2.291 1.00 0.52 N ATOM 1300 CA PHE A 84 -3.014 -0.098 2.196 1.00 0.54 C ATOM 1301 C PHE A 84 -3.501 -0.487 3.584 1.00 0.58 C ATOM 1302 O PHE A 84 -2.754 -1.120 4.333 1.00 0.75 O ATOM 1303 CB PHE A 84 -3.009 -1.317 1.275 1.00 0.62 C ATOM 1304 CG PHE A 84 -2.625 -1.017 -0.157 1.00 0.57 C ATOM 1305 CD1 PHE A 84 -3.569 -0.442 -1.027 1.00 1.74 C ATOM 1306 CD2 PHE A 84 -1.334 -1.324 -0.629 1.00 1.78 C ATOM 1307 CE1 PHE A 84 -3.233 -0.212 -2.370 1.00 1.64 C ATOM 1308 CE2 PHE A 84 -0.994 -1.072 -1.969 1.00 1.90 C ATOM 1309 CZ PHE A 84 -1.943 -0.507 -2.837 1.00 0.68 C ATOM 0 H PHE A 84 -0.927 -0.180 2.389 1.00 0.52 H new ATOM 0 HA PHE A 84 -3.692 0.640 1.769 1.00 0.54 H new ATOM 0 HB2 PHE A 84 -2.317 -2.057 1.676 1.00 0.62 H new ATOM 0 HB3 PHE A 84 -4.001 -1.769 1.285 1.00 0.62 H new ATOM 0 HD1 PHE A 84 -4.551 -0.178 -0.662 1.00 1.74 H new ATOM 0 HD2 PHE A 84 -0.604 -1.754 0.040 1.00 1.78 H new ATOM 0 HE1 PHE A 84 -3.970 0.194 -3.047 1.00 1.64 H new ATOM 0 HE2 PHE A 84 -0.005 -1.312 -2.331 1.00 1.90 H new ATOM 0 HZ PHE A 84 -1.680 -0.300 -3.864 1.00 0.68 H new ATOM 1319 N MET A 85 -4.764 -0.185 3.879 1.00 0.48 N ATOM 1320 CA MET A 85 -5.490 -0.816 4.978 1.00 0.47 C ATOM 1321 C MET A 85 -6.216 -2.049 4.431 1.00 0.44 C ATOM 1322 O MET A 85 -6.946 -1.951 3.440 1.00 0.53 O ATOM 1323 CB MET A 85 -6.455 0.182 5.632 1.00 0.59 C ATOM 1324 CG MET A 85 -5.745 1.342 6.349 1.00 0.84 C ATOM 1325 SD MET A 85 -5.387 1.118 8.116 1.00 1.09 S ATOM 1326 CE MET A 85 -4.113 -0.161 8.076 1.00 0.64 C ATOM 0 H MET A 85 -5.312 0.503 3.363 1.00 0.48 H new ATOM 0 HA MET A 85 -4.798 -1.133 5.758 1.00 0.47 H new ATOM 0 HB2 MET A 85 -7.117 0.589 4.868 1.00 0.59 H new ATOM 0 HB3 MET A 85 -7.083 -0.348 6.349 1.00 0.59 H new ATOM 0 HG2 MET A 85 -4.804 1.535 5.834 1.00 0.84 H new ATOM 0 HG3 MET A 85 -6.358 2.236 6.238 1.00 0.84 H new ATOM 0 HE1 MET A 85 -3.511 -0.103 8.983 1.00 0.64 H new ATOM 0 HE2 MET A 85 -4.584 -1.142 8.016 1.00 0.64 H new ATOM 0 HE3 MET A 85 -3.474 -0.011 7.206 1.00 0.64 H new ATOM 1336 N LEU A 86 -5.985 -3.202 5.063 1.00 0.40 N ATOM 1337 CA LEU A 86 -6.576 -4.492 4.714 1.00 0.40 C ATOM 1338 C LEU A 86 -7.594 -4.842 5.798 1.00 0.43 C ATOM 1339 O LEU A 86 -7.214 -5.072 6.946 1.00 0.67 O ATOM 1340 CB LEU A 86 -5.479 -5.572 4.612 1.00 0.52 C ATOM 1341 CG LEU A 86 -4.515 -5.500 3.408 1.00 0.77 C ATOM 1342 CD1 LEU A 86 -5.239 -5.346 2.063 1.00 2.71 C ATOM 1343 CD2 LEU A 86 -3.483 -4.372 3.517 1.00 1.70 C ATOM 0 H LEU A 86 -5.356 -3.263 5.863 1.00 0.40 H new ATOM 0 HA LEU A 86 -7.070 -4.441 3.744 1.00 0.40 H new ATOM 0 HB2 LEU A 86 -4.882 -5.532 5.523 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -5.967 -6.546 4.594 1.00 0.52 H new ATOM 0 HG LEU A 86 -4.001 -6.461 3.439 1.00 0.77 H new ATOM 0 HD11 LEU A 86 -4.505 -5.301 1.258 1.00 2.71 H new ATOM 0 HD12 LEU A 86 -5.899 -6.199 1.906 1.00 2.71 H new ATOM 0 HD13 LEU A 86 -5.827 -4.428 2.069 1.00 2.71 H new ATOM 0 HD21 LEU A 86 -2.840 -4.381 2.637 1.00 1.70 H new ATOM 0 HD22 LEU A 86 -3.997 -3.413 3.580 1.00 1.70 H new ATOM 0 HD23 LEU A 86 -2.877 -4.518 4.411 1.00 1.70 H new ATOM 1355 N LEU A 87 -8.878 -4.824 5.439 1.00 0.49 N ATOM 1356 CA LEU A 87 -10.022 -4.914 6.352 1.00 0.61 C ATOM 1357 C LEU A 87 -10.728 -6.256 6.130 1.00 0.67 C ATOM 1358 O LEU A 87 -11.105 -6.580 5.001 1.00 0.88 O ATOM 1359 CB LEU A 87 -10.985 -3.730 6.086 1.00 0.69 C ATOM 1360 CG LEU A 87 -10.717 -2.396 6.810 1.00 1.00 C ATOM 1361 CD1 LEU A 87 -11.011 -2.500 8.311 1.00 1.43 C ATOM 1362 CD2 LEU A 87 -9.300 -1.864 6.588 1.00 2.81 C ATOM 0 H LEU A 87 -9.163 -4.743 4.463 1.00 0.49 H new ATOM 0 HA LEU A 87 -9.689 -4.859 7.388 1.00 0.61 H new ATOM 0 HB2 LEU A 87 -10.982 -3.533 5.014 1.00 0.69 H new ATOM 0 HB3 LEU A 87 -11.992 -4.055 6.348 1.00 0.69 H new ATOM 0 HG LEU A 87 -11.405 -1.678 6.363 1.00 1.00 H new ATOM 0 HD11 LEU A 87 -10.811 -1.541 8.788 1.00 1.43 H new ATOM 0 HD12 LEU A 87 -12.057 -2.768 8.459 1.00 1.43 H new ATOM 0 HD13 LEU A 87 -10.374 -3.266 8.754 1.00 1.43 H new ATOM 0 HD21 LEU A 87 -9.176 -0.923 7.124 1.00 2.81 H new ATOM 0 HD22 LEU A 87 -8.576 -2.590 6.958 1.00 2.81 H new ATOM 0 HD23 LEU A 87 -9.136 -1.699 5.523 1.00 2.81 H new ATOM 1374 N GLY A 88 -10.920 -7.022 7.210 1.00 0.70 N ATOM 1375 CA GLY A 88 -11.424 -8.399 7.156 1.00 0.81 C ATOM 1376 C GLY A 88 -10.341 -9.332 6.620 1.00 0.84 C ATOM 1377 O GLY A 88 -10.169 -9.443 5.408 1.00 1.36 O ATOM 0 H GLY A 88 -10.727 -6.699 8.158 1.00 0.70 H new ATOM 0 HA2 GLY A 88 -11.733 -8.721 8.150 1.00 0.81 H new ATOM 0 HA3 GLY A 88 -12.306 -8.447 6.517 1.00 0.81 H new ATOM 1381 N LEU A 89 -9.588 -9.981 7.512 1.00 0.77 N ATOM 1382 CA LEU A 89 -8.442 -10.819 7.142 1.00 0.75 C ATOM 1383 C LEU A 89 -8.862 -12.283 6.970 1.00 0.78 C ATOM 1384 O LEU A 89 -9.411 -12.898 7.881 1.00 0.93 O ATOM 1385 CB LEU A 89 -7.321 -10.665 8.186 1.00 0.84 C ATOM 1386 CG LEU A 89 -6.840 -9.215 8.414 1.00 0.73 C ATOM 1387 CD1 LEU A 89 -5.676 -9.237 9.409 1.00 0.92 C ATOM 1388 CD2 LEU A 89 -6.412 -8.510 7.116 1.00 0.78 C ATOM 0 H LEU A 89 -9.756 -9.940 8.517 1.00 0.77 H new ATOM 0 HA LEU A 89 -8.057 -10.485 6.179 1.00 0.75 H new ATOM 0 HB2 LEU A 89 -7.671 -11.070 9.136 1.00 0.84 H new ATOM 0 HB3 LEU A 89 -6.469 -11.270 7.875 1.00 0.84 H new ATOM 0 HG LEU A 89 -7.680 -8.643 8.809 1.00 0.73 H new ATOM 0 HD11 LEU A 89 -5.325 -8.220 9.581 1.00 0.92 H new ATOM 0 HD12 LEU A 89 -6.011 -9.669 10.352 1.00 0.92 H new ATOM 0 HD13 LEU A 89 -4.862 -9.838 9.004 1.00 0.92 H new ATOM 0 HD21 LEU A 89 -6.085 -7.495 7.344 1.00 0.78 H new ATOM 0 HD22 LEU A 89 -5.592 -9.061 6.656 1.00 0.78 H new ATOM 0 HD23 LEU A 89 -7.256 -8.473 6.427 1.00 0.78 H new ATOM 1400 N LYS A 90 -8.580 -12.860 5.799 1.00 0.81 N ATOM 1401 CA LYS A 90 -9.101 -14.177 5.397 1.00 0.84 C ATOM 1402 C LYS A 90 -8.459 -15.362 6.159 1.00 1.06 C ATOM 1403 O LYS A 90 -9.041 -16.447 6.214 1.00 1.33 O ATOM 1404 CB LYS A 90 -8.972 -14.314 3.865 1.00 0.98 C ATOM 1405 CG LYS A 90 -9.868 -13.307 3.113 1.00 0.79 C ATOM 1406 CD LYS A 90 -9.736 -13.450 1.588 1.00 1.35 C ATOM 1407 CE LYS A 90 -10.743 -12.612 0.788 1.00 1.40 C ATOM 1408 NZ LYS A 90 -12.129 -13.116 0.900 1.00 1.43 N ATOM 0 H LYS A 90 -7.981 -12.427 5.096 1.00 0.81 H new ATOM 0 HA LYS A 90 -10.153 -14.227 5.678 1.00 0.84 H new ATOM 0 HB2 LYS A 90 -7.933 -14.161 3.574 1.00 0.98 H new ATOM 0 HB3 LYS A 90 -9.240 -15.328 3.569 1.00 0.98 H new ATOM 0 HG2 LYS A 90 -10.908 -13.459 3.403 1.00 0.79 H new ATOM 0 HG3 LYS A 90 -9.600 -12.292 3.407 1.00 0.79 H new ATOM 0 HD2 LYS A 90 -8.727 -13.163 1.293 1.00 1.35 H new ATOM 0 HD3 LYS A 90 -9.860 -14.499 1.321 1.00 1.35 H new ATOM 0 HE2 LYS A 90 -10.708 -11.580 1.137 1.00 1.40 H new ATOM 0 HE3 LYS A 90 -10.449 -12.604 -0.261 1.00 1.40 H new ATOM 0 HZ1 LYS A 90 -12.767 -12.502 0.354 1.00 1.43 H new ATOM 0 HZ2 LYS A 90 -12.177 -14.085 0.526 1.00 1.43 H new ATOM 0 HZ3 LYS A 90 -12.419 -13.115 1.899 1.00 1.43 H new ATOM 1422 N ARG A 91 -7.283 -15.163 6.763 1.00 1.19 N ATOM 1423 CA ARG A 91 -6.665 -16.017 7.786 1.00 1.55 C ATOM 1424 C ARG A 91 -5.809 -15.141 8.719 1.00 1.37 C ATOM 1425 O ARG A 91 -5.406 -14.056 8.293 1.00 1.25 O ATOM 1426 CB ARG A 91 -5.737 -17.068 7.146 1.00 1.99 C ATOM 1427 CG ARG A 91 -6.423 -18.022 6.161 1.00 3.02 C ATOM 1428 CD ARG A 91 -5.452 -19.100 5.675 1.00 3.23 C ATOM 1429 NE ARG A 91 -5.278 -20.206 6.647 1.00 4.41 N ATOM 1430 CZ ARG A 91 -6.118 -21.226 6.843 1.00 5.78 C ATOM 1431 NH1 ARG A 91 -7.277 -21.296 6.222 1.00 6.56 N ATOM 1432 NH2 ARG A 91 -5.810 -22.207 7.670 1.00 6.96 N ATOM 0 H ARG A 91 -6.702 -14.355 6.539 1.00 1.19 H new ATOM 0 HA ARG A 91 -7.461 -16.523 8.332 1.00 1.55 H new ATOM 0 HB2 ARG A 91 -4.931 -16.551 6.626 1.00 1.99 H new ATOM 0 HB3 ARG A 91 -5.278 -17.657 7.940 1.00 1.99 H new ATOM 0 HG2 ARG A 91 -7.282 -18.491 6.642 1.00 3.02 H new ATOM 0 HG3 ARG A 91 -6.803 -17.459 5.309 1.00 3.02 H new ATOM 0 HD2 ARG A 91 -5.813 -19.507 4.731 1.00 3.23 H new ATOM 0 HD3 ARG A 91 -4.482 -18.644 5.475 1.00 3.23 H new ATOM 0 HE ARG A 91 -4.435 -20.186 7.222 1.00 4.41 H new ATOM 0 HH11 ARG A 91 -7.553 -20.560 5.572 1.00 6.56 H new ATOM 0 HH12 ARG A 91 -7.899 -22.087 6.391 1.00 6.56 H new ATOM 0 HH21 ARG A 91 -4.921 -22.193 8.169 1.00 6.96 H new ATOM 0 HH22 ARG A 91 -6.461 -22.980 7.810 1.00 6.96 H new ATOM 1446 N PRO A 92 -5.434 -15.622 9.918 1.00 1.43 N ATOM 1447 CA PRO A 92 -4.178 -15.206 10.518 1.00 1.31 C ATOM 1448 C PRO A 92 -3.032 -15.667 9.605 1.00 1.45 C ATOM 1449 O PRO A 92 -3.060 -16.772 9.060 1.00 1.77 O ATOM 1450 CB PRO A 92 -4.134 -15.870 11.896 1.00 1.47 C ATOM 1451 CG PRO A 92 -4.954 -17.146 11.692 1.00 1.66 C ATOM 1452 CD PRO A 92 -6.009 -16.738 10.661 1.00 1.73 C ATOM 0 HA PRO A 92 -4.083 -14.126 10.631 1.00 1.31 H new ATOM 0 HB2 PRO A 92 -3.112 -16.092 12.204 1.00 1.47 H new ATOM 0 HB3 PRO A 92 -4.567 -15.231 12.666 1.00 1.47 H new ATOM 0 HG2 PRO A 92 -4.335 -17.966 11.328 1.00 1.66 H new ATOM 0 HG3 PRO A 92 -5.412 -17.481 12.623 1.00 1.66 H new ATOM 0 HD2 PRO A 92 -6.246 -17.568 9.996 1.00 1.73 H new ATOM 0 HD3 PRO A 92 -6.938 -16.444 11.149 1.00 1.73 H new ATOM 1460 N LEU A 93 -2.046 -14.790 9.432 1.00 1.53 N ATOM 1461 CA LEU A 93 -0.848 -14.989 8.613 1.00 1.83 C ATOM 1462 C LEU A 93 0.163 -15.853 9.383 1.00 2.10 C ATOM 1463 O LEU A 93 0.208 -15.821 10.609 1.00 2.54 O ATOM 1464 CB LEU A 93 -0.298 -13.595 8.224 1.00 1.90 C ATOM 1465 CG LEU A 93 -0.907 -12.984 6.940 1.00 1.97 C ATOM 1466 CD1 LEU A 93 -2.442 -12.895 6.974 1.00 2.15 C ATOM 1467 CD2 LEU A 93 -0.350 -11.566 6.735 1.00 2.28 C ATOM 0 H LEU A 93 -2.060 -13.874 9.881 1.00 1.53 H new ATOM 0 HA LEU A 93 -1.070 -15.528 7.692 1.00 1.83 H new ATOM 0 HB2 LEU A 93 -0.473 -12.909 9.053 1.00 1.90 H new ATOM 0 HB3 LEU A 93 0.782 -13.671 8.095 1.00 1.90 H new ATOM 0 HG LEU A 93 -0.632 -13.650 6.122 1.00 1.97 H new ATOM 0 HD11 LEU A 93 -2.802 -12.457 6.043 1.00 2.15 H new ATOM 0 HD12 LEU A 93 -2.862 -13.894 7.092 1.00 2.15 H new ATOM 0 HD13 LEU A 93 -2.752 -12.270 7.812 1.00 2.15 H new ATOM 0 HD21 LEU A 93 -0.778 -11.134 5.830 1.00 2.28 H new ATOM 0 HD22 LEU A 93 -0.611 -10.945 7.592 1.00 2.28 H new ATOM 0 HD23 LEU A 93 0.735 -11.612 6.637 1.00 2.28 H new ATOM 1479 N LYS A 94 0.993 -16.626 8.679 1.00 2.01 N ATOM 1480 CA LYS A 94 2.014 -17.498 9.287 1.00 2.32 C ATOM 1481 C LYS A 94 3.356 -16.792 9.588 1.00 2.16 C ATOM 1482 O LYS A 94 4.275 -17.438 10.089 1.00 3.45 O ATOM 1483 CB LYS A 94 2.168 -18.802 8.469 1.00 2.57 C ATOM 1484 CG LYS A 94 2.842 -18.696 7.084 1.00 3.53 C ATOM 1485 CD LYS A 94 1.858 -18.750 5.902 1.00 4.74 C ATOM 1486 CE LYS A 94 2.633 -18.788 4.572 1.00 5.64 C ATOM 1487 NZ LYS A 94 1.842 -18.283 3.423 1.00 6.40 N ATOM 0 H LYS A 94 0.979 -16.668 7.660 1.00 2.01 H new ATOM 0 HA LYS A 94 1.649 -17.770 10.277 1.00 2.32 H new ATOM 0 HB2 LYS A 94 2.740 -19.510 9.069 1.00 2.57 H new ATOM 0 HB3 LYS A 94 1.176 -19.231 8.329 1.00 2.57 H new ATOM 0 HG2 LYS A 94 3.402 -17.762 7.035 1.00 3.53 H new ATOM 0 HG3 LYS A 94 3.564 -19.506 6.980 1.00 3.53 H new ATOM 0 HD2 LYS A 94 1.223 -19.632 5.987 1.00 4.74 H new ATOM 0 HD3 LYS A 94 1.201 -17.880 5.925 1.00 4.74 H new ATOM 0 HE2 LYS A 94 3.541 -18.193 4.670 1.00 5.64 H new ATOM 0 HE3 LYS A 94 2.944 -19.813 4.369 1.00 5.64 H new ATOM 0 HZ1 LYS A 94 2.404 -18.365 2.552 1.00 6.40 H new ATOM 0 HZ2 LYS A 94 0.971 -18.844 3.328 1.00 6.40 H new ATOM 0 HZ3 LYS A 94 1.595 -17.285 3.583 1.00 6.40 H new ATOM 1501 N ALA A 95 3.444 -15.484 9.290 1.00 1.80 N ATOM 1502 CA ALA A 95 4.635 -14.616 9.332 1.00 1.57 C ATOM 1503 C ALA A 95 5.622 -14.927 8.184 1.00 1.56 C ATOM 1504 O ALA A 95 5.526 -15.972 7.553 1.00 2.38 O ATOM 1505 CB ALA A 95 5.316 -14.657 10.713 1.00 1.80 C ATOM 0 H ALA A 95 2.619 -14.965 8.990 1.00 1.80 H new ATOM 0 HA ALA A 95 4.293 -13.593 9.175 1.00 1.57 H new ATOM 0 HB1 ALA A 95 6.190 -14.006 10.707 1.00 1.80 H new ATOM 0 HB2 ALA A 95 4.615 -14.317 11.475 1.00 1.80 H new ATOM 0 HB3 ALA A 95 5.626 -15.678 10.936 1.00 1.80 H new ATOM 1511 N GLY A 96 6.551 -14.015 7.859 1.00 1.54 N ATOM 1512 CA GLY A 96 7.603 -14.217 6.835 1.00 2.18 C ATOM 1513 C GLY A 96 7.136 -14.320 5.370 1.00 2.76 C ATOM 1514 O GLY A 96 7.958 -14.308 4.460 1.00 4.02 O ATOM 0 H GLY A 96 6.598 -13.099 8.305 1.00 1.54 H new ATOM 0 HA2 GLY A 96 8.311 -13.392 6.908 1.00 2.18 H new ATOM 0 HA3 GLY A 96 8.148 -15.128 7.083 1.00 2.18 H new ATOM 1518 N GLU A 97 5.831 -14.470 5.159 1.00 2.02 N ATOM 1519 CA GLU A 97 5.221 -15.104 3.993 1.00 1.81 C ATOM 1520 C GLU A 97 5.124 -14.279 2.700 1.00 1.56 C ATOM 1521 O GLU A 97 5.287 -13.059 2.670 1.00 1.81 O ATOM 1522 CB GLU A 97 3.843 -15.648 4.398 1.00 1.67 C ATOM 1523 CG GLU A 97 2.774 -14.605 4.728 1.00 2.76 C ATOM 1524 CD GLU A 97 1.469 -15.296 5.070 1.00 2.68 C ATOM 1525 OE1 GLU A 97 0.800 -15.841 4.166 1.00 3.34 O ATOM 1526 OE2 GLU A 97 1.202 -15.415 6.280 1.00 2.93 O ATOM 0 H GLU A 97 5.137 -14.137 5.828 1.00 2.02 H new ATOM 0 HA GLU A 97 5.916 -15.894 3.710 1.00 1.81 H new ATOM 0 HB2 GLU A 97 3.471 -16.275 3.588 1.00 1.67 H new ATOM 0 HB3 GLU A 97 3.972 -16.293 5.267 1.00 1.67 H new ATOM 0 HG2 GLU A 97 3.100 -13.989 5.566 1.00 2.76 H new ATOM 0 HG3 GLU A 97 2.630 -13.937 3.879 1.00 2.76 H new ATOM 1533 N GLU A 98 4.825 -15.024 1.640 1.00 1.34 N ATOM 1534 CA GLU A 98 4.783 -14.712 0.219 1.00 1.42 C ATOM 1535 C GLU A 98 3.468 -14.042 -0.216 1.00 1.47 C ATOM 1536 O GLU A 98 2.679 -14.620 -0.957 1.00 2.27 O ATOM 1537 CB GLU A 98 5.113 -16.017 -0.564 1.00 1.62 C ATOM 1538 CG GLU A 98 4.142 -17.236 -0.590 1.00 3.07 C ATOM 1539 CD GLU A 98 3.694 -17.833 0.756 1.00 4.42 C ATOM 1540 OE1 GLU A 98 4.411 -17.701 1.771 1.00 4.86 O ATOM 1541 OE2 GLU A 98 2.609 -18.445 0.841 1.00 5.96 O ATOM 0 H GLU A 98 4.570 -16.001 1.783 1.00 1.34 H new ATOM 0 HA GLU A 98 5.534 -13.957 -0.014 1.00 1.42 H new ATOM 0 HB2 GLU A 98 5.280 -15.727 -1.601 1.00 1.62 H new ATOM 0 HB3 GLU A 98 6.065 -16.382 -0.178 1.00 1.62 H new ATOM 0 HG2 GLU A 98 3.248 -16.939 -1.137 1.00 3.07 H new ATOM 0 HG3 GLU A 98 4.618 -18.030 -1.165 1.00 3.07 H new ATOM 1548 N VAL A 99 3.216 -12.799 0.214 1.00 0.96 N ATOM 1549 CA VAL A 99 1.945 -12.118 -0.106 1.00 0.93 C ATOM 1550 C VAL A 99 1.870 -11.761 -1.589 1.00 0.83 C ATOM 1551 O VAL A 99 2.474 -10.792 -2.049 1.00 0.87 O ATOM 1552 CB VAL A 99 1.638 -10.887 0.781 1.00 1.00 C ATOM 1553 CG1 VAL A 99 0.458 -10.047 0.239 1.00 1.06 C ATOM 1554 CG2 VAL A 99 1.251 -11.372 2.185 1.00 0.97 C ATOM 0 H VAL A 99 3.863 -12.247 0.777 1.00 0.96 H new ATOM 0 HA VAL A 99 1.164 -12.842 0.125 1.00 0.93 H new ATOM 0 HB VAL A 99 2.533 -10.265 0.791 1.00 1.00 H new ATOM 0 HG11 VAL A 99 0.284 -9.196 0.898 1.00 1.06 H new ATOM 0 HG12 VAL A 99 0.696 -9.688 -0.762 1.00 1.06 H new ATOM 0 HG13 VAL A 99 -0.440 -10.664 0.199 1.00 1.06 H new ATOM 0 HG21 VAL A 99 1.032 -10.513 2.819 1.00 0.97 H new ATOM 0 HG22 VAL A 99 0.369 -12.009 2.120 1.00 0.97 H new ATOM 0 HG23 VAL A 99 2.077 -11.939 2.614 1.00 0.97 H new ATOM 1564 N GLU A 100 1.033 -12.523 -2.290 1.00 0.79 N ATOM 1565 CA GLU A 100 0.463 -12.187 -3.593 1.00 0.71 C ATOM 1566 C GLU A 100 -0.341 -10.882 -3.515 1.00 0.69 C ATOM 1567 O GLU A 100 -1.220 -10.716 -2.660 1.00 0.86 O ATOM 1568 CB GLU A 100 -0.466 -13.328 -4.034 1.00 0.96 C ATOM 1569 CG GLU A 100 0.279 -14.504 -4.670 1.00 1.11 C ATOM 1570 CD GLU A 100 0.399 -14.294 -6.174 1.00 1.81 C ATOM 1571 OE1 GLU A 100 1.156 -13.403 -6.616 1.00 2.99 O ATOM 1572 OE2 GLU A 100 -0.307 -14.988 -6.938 1.00 2.44 O ATOM 0 H GLU A 100 0.720 -13.432 -1.950 1.00 0.79 H new ATOM 0 HA GLU A 100 1.272 -12.053 -4.311 1.00 0.71 H new ATOM 0 HB2 GLU A 100 -1.026 -13.686 -3.170 1.00 0.96 H new ATOM 0 HB3 GLU A 100 -1.194 -12.940 -4.747 1.00 0.96 H new ATOM 0 HG2 GLU A 100 1.271 -14.599 -4.228 1.00 1.11 H new ATOM 0 HG3 GLU A 100 -0.251 -15.434 -4.466 1.00 1.11 H new ATOM 1579 N LEU A 101 -0.062 -9.959 -4.439 1.00 0.70 N ATOM 1580 CA LEU A 101 -0.668 -8.629 -4.482 1.00 0.73 C ATOM 1581 C LEU A 101 -0.784 -8.089 -5.913 1.00 0.69 C ATOM 1582 O LEU A 101 0.206 -7.717 -6.537 1.00 0.77 O ATOM 1583 CB LEU A 101 0.115 -7.682 -3.545 1.00 0.89 C ATOM 1584 CG LEU A 101 -0.667 -7.323 -2.276 1.00 1.16 C ATOM 1585 CD1 LEU A 101 0.255 -6.695 -1.244 1.00 1.74 C ATOM 1586 CD2 LEU A 101 -1.765 -6.287 -2.556 1.00 1.28 C ATOM 0 H LEU A 101 0.606 -10.120 -5.193 1.00 0.70 H new ATOM 0 HA LEU A 101 -1.694 -8.696 -4.121 1.00 0.73 H new ATOM 0 HB2 LEU A 101 1.057 -8.153 -3.265 1.00 0.89 H new ATOM 0 HB3 LEU A 101 0.363 -6.768 -4.084 1.00 0.89 H new ATOM 0 HG LEU A 101 -1.105 -8.254 -1.915 1.00 1.16 H new ATOM 0 HD11 LEU A 101 -0.316 -6.446 -0.349 1.00 1.74 H new ATOM 0 HD12 LEU A 101 1.045 -7.400 -0.986 1.00 1.74 H new ATOM 0 HD13 LEU A 101 0.698 -5.788 -1.656 1.00 1.74 H new ATOM 0 HD21 LEU A 101 -2.295 -6.060 -1.631 1.00 1.28 H new ATOM 0 HD22 LEU A 101 -1.314 -5.376 -2.949 1.00 1.28 H new ATOM 0 HD23 LEU A 101 -2.466 -6.689 -3.287 1.00 1.28 H new ATOM 1598 N ASP A 102 -2.026 -8.016 -6.395 1.00 0.65 N ATOM 1599 CA ASP A 102 -2.479 -7.397 -7.647 1.00 0.61 C ATOM 1600 C ASP A 102 -2.560 -5.873 -7.465 1.00 0.62 C ATOM 1601 O ASP A 102 -3.558 -5.363 -6.962 1.00 0.69 O ATOM 1602 CB ASP A 102 -3.896 -7.925 -7.973 1.00 0.73 C ATOM 1603 CG ASP A 102 -4.001 -9.188 -8.824 1.00 0.97 C ATOM 1604 OD1 ASP A 102 -3.126 -9.411 -9.686 1.00 1.74 O ATOM 1605 OD2 ASP A 102 -5.031 -9.882 -8.651 1.00 2.02 O ATOM 0 H ASP A 102 -2.807 -8.421 -5.879 1.00 0.65 H new ATOM 0 HA ASP A 102 -1.782 -7.638 -8.450 1.00 0.61 H new ATOM 0 HB2 ASP A 102 -4.410 -8.111 -7.030 1.00 0.73 H new ATOM 0 HB3 ASP A 102 -4.442 -7.131 -8.482 1.00 0.73 H new ATOM 1610 N LEU A 103 -1.525 -5.129 -7.860 1.00 0.63 N ATOM 1611 CA LEU A 103 -1.511 -3.659 -7.810 1.00 0.62 C ATOM 1612 C LEU A 103 -2.333 -3.069 -8.972 1.00 0.63 C ATOM 1613 O LEU A 103 -1.998 -3.292 -10.135 1.00 0.71 O ATOM 1614 CB LEU A 103 -0.055 -3.156 -7.851 1.00 0.72 C ATOM 1615 CG LEU A 103 0.899 -3.770 -6.803 1.00 0.84 C ATOM 1616 CD1 LEU A 103 2.290 -3.154 -6.987 1.00 1.15 C ATOM 1617 CD2 LEU A 103 0.417 -3.552 -5.359 1.00 1.18 C ATOM 0 H LEU A 103 -0.663 -5.531 -8.228 1.00 0.63 H new ATOM 0 HA LEU A 103 -1.970 -3.327 -6.879 1.00 0.62 H new ATOM 0 HB2 LEU A 103 0.350 -3.354 -8.843 1.00 0.72 H new ATOM 0 HB3 LEU A 103 -0.061 -2.074 -7.719 1.00 0.72 H new ATOM 0 HG LEU A 103 0.926 -4.848 -6.964 1.00 0.84 H new ATOM 0 HD11 LEU A 103 2.976 -3.578 -6.253 1.00 1.15 H new ATOM 0 HD12 LEU A 103 2.654 -3.371 -7.991 1.00 1.15 H new ATOM 0 HD13 LEU A 103 2.231 -2.075 -6.847 1.00 1.15 H new ATOM 0 HD21 LEU A 103 1.127 -4.005 -4.666 1.00 1.18 H new ATOM 0 HD22 LEU A 103 0.344 -2.483 -5.157 1.00 1.18 H new ATOM 0 HD23 LEU A 103 -0.562 -4.013 -5.229 1.00 1.18 H new ATOM 1629 N LEU A 104 -3.405 -2.319 -8.676 1.00 0.58 N ATOM 1630 CA LEU A 104 -4.403 -1.876 -9.665 1.00 0.58 C ATOM 1631 C LEU A 104 -4.054 -0.505 -10.250 1.00 0.56 C ATOM 1632 O LEU A 104 -3.897 0.478 -9.516 1.00 0.53 O ATOM 1633 CB LEU A 104 -5.817 -1.812 -9.043 1.00 0.57 C ATOM 1634 CG LEU A 104 -6.283 -3.030 -8.231 1.00 0.59 C ATOM 1635 CD1 LEU A 104 -7.711 -2.803 -7.719 1.00 0.62 C ATOM 1636 CD2 LEU A 104 -6.210 -4.348 -9.013 1.00 0.64 C ATOM 0 H LEU A 104 -3.607 -1.998 -7.729 1.00 0.58 H new ATOM 0 HA LEU A 104 -4.392 -2.614 -10.467 1.00 0.58 H new ATOM 0 HB2 LEU A 104 -5.862 -0.937 -8.395 1.00 0.57 H new ATOM 0 HB3 LEU A 104 -6.533 -1.649 -9.848 1.00 0.57 H new ATOM 0 HG LEU A 104 -5.593 -3.127 -7.393 1.00 0.59 H new ATOM 0 HD11 LEU A 104 -8.034 -3.671 -7.144 1.00 0.62 H new ATOM 0 HD12 LEU A 104 -7.733 -1.918 -7.083 1.00 0.62 H new ATOM 0 HD13 LEU A 104 -8.382 -2.658 -8.565 1.00 0.62 H new ATOM 0 HD21 LEU A 104 -6.553 -5.166 -8.380 1.00 0.64 H new ATOM 0 HD22 LEU A 104 -6.844 -4.282 -9.897 1.00 0.64 H new ATOM 0 HD23 LEU A 104 -5.180 -4.533 -9.318 1.00 0.64 H new ATOM 1648 N PHE A 105 -4.014 -0.394 -11.578 1.00 0.59 N ATOM 1649 CA PHE A 105 -3.599 0.833 -12.265 1.00 0.62 C ATOM 1650 C PHE A 105 -4.624 1.340 -13.286 1.00 0.70 C ATOM 1651 O PHE A 105 -5.074 0.610 -14.169 1.00 0.96 O ATOM 1652 CB PHE A 105 -2.274 0.583 -12.983 1.00 0.69 C ATOM 1653 CG PHE A 105 -1.047 0.528 -12.109 1.00 0.65 C ATOM 1654 CD1 PHE A 105 -0.382 1.717 -11.770 1.00 2.16 C ATOM 1655 CD2 PHE A 105 -0.518 -0.714 -11.720 1.00 1.84 C ATOM 1656 CE1 PHE A 105 0.821 1.668 -11.053 1.00 2.37 C ATOM 1657 CE2 PHE A 105 0.667 -0.763 -10.965 1.00 1.70 C ATOM 1658 CZ PHE A 105 1.344 0.428 -10.641 1.00 0.93 C ATOM 0 H PHE A 105 -4.269 -1.153 -12.210 1.00 0.59 H new ATOM 0 HA PHE A 105 -3.502 1.602 -11.499 1.00 0.62 H new ATOM 0 HB2 PHE A 105 -2.351 -0.359 -13.527 1.00 0.69 H new ATOM 0 HB3 PHE A 105 -2.132 1.369 -13.725 1.00 0.69 H new ATOM 0 HD1 PHE A 105 -0.798 2.670 -12.062 1.00 2.16 H new ATOM 0 HD2 PHE A 105 -1.020 -1.628 -12.000 1.00 1.84 H new ATOM 0 HE1 PHE A 105 1.347 2.581 -10.817 1.00 2.37 H new ATOM 0 HE2 PHE A 105 1.058 -1.714 -10.634 1.00 1.70 H new ATOM 0 HZ PHE A 105 2.264 0.390 -10.077 1.00 0.93 H new ATOM 1668 N ALA A 106 -4.874 2.652 -13.222 1.00 0.64 N ATOM 1669 CA ALA A 106 -5.670 3.460 -14.158 1.00 0.81 C ATOM 1670 C ALA A 106 -6.859 2.703 -14.794 1.00 1.10 C ATOM 1671 O ALA A 106 -6.978 2.640 -16.024 1.00 1.78 O ATOM 1672 CB ALA A 106 -4.707 4.087 -15.182 1.00 1.86 C ATOM 0 H ALA A 106 -4.500 3.219 -12.462 1.00 0.64 H new ATOM 0 HA ALA A 106 -6.171 4.254 -13.604 1.00 0.81 H new ATOM 0 HB1 ALA A 106 -5.273 4.693 -15.890 1.00 1.86 H new ATOM 0 HB2 ALA A 106 -3.983 4.716 -14.663 1.00 1.86 H new ATOM 0 HB3 ALA A 106 -4.182 3.297 -15.719 1.00 1.86 H new ATOM 1678 N GLY A 107 -7.665 2.039 -13.957 1.00 1.93 N ATOM 1679 CA GLY A 107 -8.720 1.112 -14.378 1.00 2.94 C ATOM 1680 C GLY A 107 -8.148 -0.216 -14.879 1.00 2.75 C ATOM 1681 O GLY A 107 -7.925 -1.136 -14.103 1.00 3.94 O ATOM 0 H GLY A 107 -7.599 2.134 -12.944 1.00 1.93 H new ATOM 0 HA2 GLY A 107 -9.393 0.924 -13.542 1.00 2.94 H new ATOM 0 HA3 GLY A 107 -9.314 1.572 -15.168 1.00 2.94 H new ATOM 1685 N GLY A 108 -7.950 -0.316 -16.196 1.00 1.61 N ATOM 1686 CA GLY A 108 -7.734 -1.584 -16.913 1.00 1.60 C ATOM 1687 C GLY A 108 -6.303 -2.136 -16.955 1.00 1.29 C ATOM 1688 O GLY A 108 -5.985 -2.859 -17.891 1.00 1.52 O ATOM 0 H GLY A 108 -7.934 0.498 -16.811 1.00 1.61 H new ATOM 0 HA2 GLY A 108 -8.374 -2.341 -16.459 1.00 1.60 H new ATOM 0 HA3 GLY A 108 -8.075 -1.453 -17.940 1.00 1.60 H new ATOM 1692 N LYS A 109 -5.408 -1.777 -16.025 1.00 0.97 N ATOM 1693 CA LYS A 109 -4.126 -2.451 -15.813 1.00 0.85 C ATOM 1694 C LYS A 109 -4.082 -3.054 -14.396 1.00 0.79 C ATOM 1695 O LYS A 109 -4.644 -2.480 -13.467 1.00 0.87 O ATOM 1696 CB LYS A 109 -2.990 -1.421 -15.892 1.00 0.84 C ATOM 1697 CG LYS A 109 -2.429 -0.999 -17.252 1.00 1.21 C ATOM 1698 CD LYS A 109 -3.427 -0.257 -18.153 1.00 2.60 C ATOM 1699 CE LYS A 109 -3.975 1.019 -17.486 1.00 3.76 C ATOM 1700 NZ LYS A 109 -5.370 1.299 -17.900 1.00 4.93 N ATOM 0 H LYS A 109 -5.560 -0.995 -15.388 1.00 0.97 H new ATOM 0 HA LYS A 109 -4.013 -3.226 -16.571 1.00 0.85 H new ATOM 0 HB2 LYS A 109 -3.337 -0.517 -15.391 1.00 0.84 H new ATOM 0 HB3 LYS A 109 -2.158 -1.811 -15.306 1.00 0.84 H new ATOM 0 HG2 LYS A 109 -1.561 -0.360 -17.090 1.00 1.21 H new ATOM 0 HG3 LYS A 109 -2.077 -1.887 -17.777 1.00 1.21 H new ATOM 0 HD2 LYS A 109 -2.940 0.006 -19.092 1.00 2.60 H new ATOM 0 HD3 LYS A 109 -4.256 -0.921 -18.399 1.00 2.60 H new ATOM 0 HE2 LYS A 109 -3.932 0.910 -16.402 1.00 3.76 H new ATOM 0 HE3 LYS A 109 -3.341 1.867 -17.747 1.00 3.76 H new ATOM 0 HZ1 LYS A 109 -5.868 1.790 -17.131 1.00 4.93 H new ATOM 0 HZ2 LYS A 109 -5.366 1.900 -18.749 1.00 4.93 H new ATOM 0 HZ3 LYS A 109 -5.856 0.404 -18.111 1.00 4.93 H new ATOM 1714 N VAL A 110 -3.299 -4.112 -14.216 1.00 0.83 N ATOM 1715 CA VAL A 110 -2.937 -4.683 -12.922 1.00 0.84 C ATOM 1716 C VAL A 110 -1.562 -5.347 -13.021 1.00 0.94 C ATOM 1717 O VAL A 110 -1.260 -5.951 -14.052 1.00 1.07 O ATOM 1718 CB VAL A 110 -4.036 -5.649 -12.430 1.00 0.96 C ATOM 1719 CG1 VAL A 110 -4.420 -6.719 -13.464 1.00 1.14 C ATOM 1720 CG2 VAL A 110 -3.683 -6.319 -11.098 1.00 1.03 C ATOM 0 H VAL A 110 -2.882 -4.616 -14.998 1.00 0.83 H new ATOM 0 HA VAL A 110 -2.865 -3.893 -12.175 1.00 0.84 H new ATOM 0 HB VAL A 110 -4.906 -5.011 -12.276 1.00 0.96 H new ATOM 0 HG11 VAL A 110 -5.197 -7.362 -13.051 1.00 1.14 H new ATOM 0 HG12 VAL A 110 -4.792 -6.235 -14.367 1.00 1.14 H new ATOM 0 HG13 VAL A 110 -3.544 -7.320 -13.709 1.00 1.14 H new ATOM 0 HG21 VAL A 110 -4.492 -6.987 -10.801 1.00 1.03 H new ATOM 0 HG22 VAL A 110 -2.763 -6.892 -11.211 1.00 1.03 H new ATOM 0 HG23 VAL A 110 -3.543 -5.556 -10.333 1.00 1.03 H new ATOM 1730 N LEU A 111 -0.728 -5.192 -11.987 1.00 0.90 N ATOM 1731 CA LEU A 111 0.597 -5.807 -11.876 1.00 0.98 C ATOM 1732 C LEU A 111 0.669 -6.637 -10.590 1.00 0.94 C ATOM 1733 O LEU A 111 0.671 -6.096 -9.486 1.00 1.07 O ATOM 1734 CB LEU A 111 1.690 -4.718 -11.881 1.00 1.10 C ATOM 1735 CG LEU A 111 1.823 -3.899 -13.182 1.00 1.27 C ATOM 1736 CD1 LEU A 111 2.965 -2.880 -13.036 1.00 1.84 C ATOM 1737 CD2 LEU A 111 2.115 -4.779 -14.408 1.00 1.60 C ATOM 0 H LEU A 111 -0.965 -4.616 -11.179 1.00 0.90 H new ATOM 0 HA LEU A 111 0.764 -6.463 -12.730 1.00 0.98 H new ATOM 0 HB2 LEU A 111 1.492 -4.029 -11.060 1.00 1.10 H new ATOM 0 HB3 LEU A 111 2.649 -5.193 -11.674 1.00 1.10 H new ATOM 0 HG LEU A 111 0.866 -3.401 -13.341 1.00 1.27 H new ATOM 0 HD11 LEU A 111 3.057 -2.303 -13.956 1.00 1.84 H new ATOM 0 HD12 LEU A 111 2.749 -2.208 -12.206 1.00 1.84 H new ATOM 0 HD13 LEU A 111 3.900 -3.406 -12.843 1.00 1.84 H new ATOM 0 HD21 LEU A 111 2.199 -4.151 -15.295 1.00 1.60 H new ATOM 0 HD22 LEU A 111 3.050 -5.317 -14.255 1.00 1.60 H new ATOM 0 HD23 LEU A 111 1.303 -5.494 -14.545 1.00 1.60 H new ATOM 1749 N LYS A 112 0.732 -7.962 -10.730 1.00 0.92 N ATOM 1750 CA LYS A 112 0.755 -8.872 -9.582 1.00 0.95 C ATOM 1751 C LYS A 112 2.185 -9.065 -9.044 1.00 1.02 C ATOM 1752 O LYS A 112 3.011 -9.713 -9.688 1.00 1.38 O ATOM 1753 CB LYS A 112 0.067 -10.190 -9.962 1.00 1.12 C ATOM 1754 CG LYS A 112 -0.384 -10.948 -8.702 1.00 1.66 C ATOM 1755 CD LYS A 112 -1.268 -12.159 -9.036 1.00 1.55 C ATOM 1756 CE LYS A 112 -0.564 -13.174 -9.941 1.00 1.56 C ATOM 1757 NZ LYS A 112 0.538 -13.845 -9.219 1.00 2.57 N ATOM 0 H LYS A 112 0.768 -8.432 -11.634 1.00 0.92 H new ATOM 0 HA LYS A 112 0.193 -8.433 -8.758 1.00 0.95 H new ATOM 0 HB2 LYS A 112 -0.794 -9.987 -10.598 1.00 1.12 H new ATOM 0 HB3 LYS A 112 0.752 -10.810 -10.541 1.00 1.12 H new ATOM 0 HG2 LYS A 112 0.493 -11.283 -8.149 1.00 1.66 H new ATOM 0 HG3 LYS A 112 -0.933 -10.269 -8.049 1.00 1.66 H new ATOM 0 HD2 LYS A 112 -1.568 -12.651 -8.111 1.00 1.55 H new ATOM 0 HD3 LYS A 112 -2.180 -11.814 -9.524 1.00 1.55 H new ATOM 0 HE2 LYS A 112 -1.282 -13.917 -10.290 1.00 1.56 H new ATOM 0 HE3 LYS A 112 -0.172 -12.670 -10.825 1.00 1.56 H new ATOM 0 HZ1 LYS A 112 1.236 -14.200 -9.903 1.00 2.57 H new ATOM 0 HZ2 LYS A 112 0.996 -13.167 -8.577 1.00 2.57 H new ATOM 0 HZ3 LYS A 112 0.158 -14.641 -8.668 1.00 2.57 H new ATOM 1771 N VAL A 113 2.477 -8.496 -7.876 1.00 0.85 N ATOM 1772 CA VAL A 113 3.768 -8.593 -7.179 1.00 0.88 C ATOM 1773 C VAL A 113 3.678 -9.555 -5.993 1.00 0.84 C ATOM 1774 O VAL A 113 2.594 -9.784 -5.464 1.00 0.88 O ATOM 1775 CB VAL A 113 4.289 -7.213 -6.708 1.00 0.94 C ATOM 1776 CG1 VAL A 113 4.418 -6.236 -7.890 1.00 1.09 C ATOM 1777 CG2 VAL A 113 3.451 -6.570 -5.587 1.00 1.19 C ATOM 0 H VAL A 113 1.798 -7.932 -7.365 1.00 0.85 H new ATOM 0 HA VAL A 113 4.484 -8.985 -7.901 1.00 0.88 H new ATOM 0 HB VAL A 113 5.273 -7.412 -6.283 1.00 0.94 H new ATOM 0 HG11 VAL A 113 4.786 -5.275 -7.530 1.00 1.09 H new ATOM 0 HG12 VAL A 113 5.117 -6.641 -8.622 1.00 1.09 H new ATOM 0 HG13 VAL A 113 3.443 -6.099 -8.357 1.00 1.09 H new ATOM 0 HG21 VAL A 113 3.884 -5.607 -5.316 1.00 1.19 H new ATOM 0 HG22 VAL A 113 2.429 -6.423 -5.935 1.00 1.19 H new ATOM 0 HG23 VAL A 113 3.447 -7.224 -4.715 1.00 1.19 H new ATOM 1787 N VAL A 114 4.836 -10.046 -5.547 1.00 0.90 N ATOM 1788 CA VAL A 114 5.018 -10.675 -4.232 1.00 0.93 C ATOM 1789 C VAL A 114 5.691 -9.682 -3.273 1.00 0.96 C ATOM 1790 O VAL A 114 6.637 -8.994 -3.659 1.00 1.13 O ATOM 1791 CB VAL A 114 5.792 -12.015 -4.323 1.00 1.23 C ATOM 1792 CG1 VAL A 114 7.238 -11.862 -4.835 1.00 2.15 C ATOM 1793 CG2 VAL A 114 5.790 -12.761 -2.977 1.00 2.06 C ATOM 0 H VAL A 114 5.693 -10.018 -6.100 1.00 0.90 H new ATOM 0 HA VAL A 114 4.035 -10.929 -3.834 1.00 0.93 H new ATOM 0 HB VAL A 114 5.253 -12.605 -5.064 1.00 1.23 H new ATOM 0 HG11 VAL A 114 7.716 -12.841 -4.872 1.00 2.15 H new ATOM 0 HG12 VAL A 114 7.226 -11.426 -5.834 1.00 2.15 H new ATOM 0 HG13 VAL A 114 7.795 -11.211 -4.162 1.00 2.15 H new ATOM 0 HG21 VAL A 114 6.342 -13.696 -3.078 1.00 2.06 H new ATOM 0 HG22 VAL A 114 6.264 -12.141 -2.216 1.00 2.06 H new ATOM 0 HG23 VAL A 114 4.763 -12.976 -2.682 1.00 2.06 H new ATOM 1803 N LEU A 115 5.217 -9.631 -2.023 1.00 0.94 N ATOM 1804 CA LEU A 115 5.863 -8.942 -0.901 1.00 1.02 C ATOM 1805 C LEU A 115 6.064 -9.921 0.272 1.00 1.04 C ATOM 1806 O LEU A 115 5.188 -10.757 0.514 1.00 1.10 O ATOM 1807 CB LEU A 115 5.005 -7.758 -0.411 1.00 1.08 C ATOM 1808 CG LEU A 115 4.720 -6.641 -1.435 1.00 1.24 C ATOM 1809 CD1 LEU A 115 3.816 -5.591 -0.776 1.00 1.73 C ATOM 1810 CD2 LEU A 115 6.007 -5.958 -1.926 1.00 1.56 C ATOM 0 H LEU A 115 4.343 -10.084 -1.756 1.00 0.94 H new ATOM 0 HA LEU A 115 6.825 -8.567 -1.250 1.00 1.02 H new ATOM 0 HB2 LEU A 115 4.050 -8.151 -0.061 1.00 1.08 H new ATOM 0 HB3 LEU A 115 5.501 -7.312 0.451 1.00 1.08 H new ATOM 0 HG LEU A 115 4.236 -7.093 -2.301 1.00 1.24 H new ATOM 0 HD11 LEU A 115 3.605 -4.794 -1.489 1.00 1.73 H new ATOM 0 HD12 LEU A 115 2.881 -6.058 -0.467 1.00 1.73 H new ATOM 0 HD13 LEU A 115 4.319 -5.174 0.097 1.00 1.73 H new ATOM 0 HD21 LEU A 115 5.754 -5.179 -2.645 1.00 1.56 H new ATOM 0 HD22 LEU A 115 6.529 -5.514 -1.079 1.00 1.56 H new ATOM 0 HD23 LEU A 115 6.652 -6.696 -2.403 1.00 1.56 H new ATOM 1822 N PRO A 116 7.175 -9.800 1.025 1.00 1.12 N ATOM 1823 CA PRO A 116 7.382 -10.553 2.249 1.00 1.22 C ATOM 1824 C PRO A 116 6.531 -9.972 3.383 1.00 1.20 C ATOM 1825 O PRO A 116 6.390 -8.759 3.532 1.00 1.30 O ATOM 1826 CB PRO A 116 8.878 -10.441 2.553 1.00 1.36 C ATOM 1827 CG PRO A 116 9.235 -9.064 1.993 1.00 1.33 C ATOM 1828 CD PRO A 116 8.322 -8.938 0.772 1.00 1.24 C ATOM 0 HA PRO A 116 7.082 -11.596 2.146 1.00 1.22 H new ATOM 0 HB2 PRO A 116 9.080 -10.508 3.622 1.00 1.36 H new ATOM 0 HB3 PRO A 116 9.449 -11.234 2.071 1.00 1.36 H new ATOM 0 HG2 PRO A 116 9.048 -8.273 2.719 1.00 1.33 H new ATOM 0 HG3 PRO A 116 10.288 -9.002 1.717 1.00 1.33 H new ATOM 0 HD2 PRO A 116 8.007 -7.905 0.628 1.00 1.24 H new ATOM 0 HD3 PRO A 116 8.843 -9.242 -0.136 1.00 1.24 H new ATOM 1836 N VAL A 117 5.984 -10.840 4.223 1.00 1.13 N ATOM 1837 CA VAL A 117 5.369 -10.463 5.503 1.00 1.13 C ATOM 1838 C VAL A 117 6.389 -10.412 6.651 1.00 1.06 C ATOM 1839 O VAL A 117 7.361 -11.158 6.670 1.00 1.30 O ATOM 1840 CB VAL A 117 4.196 -11.411 5.822 1.00 1.19 C ATOM 1841 CG1 VAL A 117 3.800 -11.547 7.296 1.00 1.06 C ATOM 1842 CG2 VAL A 117 2.956 -10.981 5.041 1.00 1.62 C ATOM 0 H VAL A 117 5.951 -11.843 4.038 1.00 1.13 H new ATOM 0 HA VAL A 117 4.980 -9.450 5.403 1.00 1.13 H new ATOM 0 HB VAL A 117 4.571 -12.391 5.526 1.00 1.19 H new ATOM 0 HG11 VAL A 117 2.964 -12.241 7.386 1.00 1.06 H new ATOM 0 HG12 VAL A 117 4.648 -11.925 7.867 1.00 1.06 H new ATOM 0 HG13 VAL A 117 3.506 -10.572 7.685 1.00 1.06 H new ATOM 0 HG21 VAL A 117 2.130 -11.654 5.270 1.00 1.62 H new ATOM 0 HG22 VAL A 117 2.684 -9.964 5.322 1.00 1.62 H new ATOM 0 HG23 VAL A 117 3.168 -11.018 3.972 1.00 1.62 H new ATOM 1852 N GLU A 118 6.097 -9.597 7.667 1.00 0.89 N ATOM 1853 CA GLU A 118 6.715 -9.637 8.993 1.00 1.05 C ATOM 1854 C GLU A 118 5.666 -9.225 10.054 1.00 1.26 C ATOM 1855 O GLU A 118 4.672 -8.572 9.726 1.00 1.25 O ATOM 1856 CB GLU A 118 7.957 -8.725 8.996 1.00 1.52 C ATOM 1857 CG GLU A 118 8.870 -8.972 10.207 1.00 2.55 C ATOM 1858 CD GLU A 118 10.016 -7.969 10.348 1.00 2.71 C ATOM 1859 OE1 GLU A 118 10.013 -6.918 9.671 1.00 2.82 O ATOM 1860 OE2 GLU A 118 10.833 -8.176 11.265 1.00 3.87 O ATOM 0 H GLU A 118 5.395 -8.862 7.584 1.00 0.89 H new ATOM 0 HA GLU A 118 7.049 -10.644 9.242 1.00 1.05 H new ATOM 0 HB2 GLU A 118 8.524 -8.887 8.079 1.00 1.52 H new ATOM 0 HB3 GLU A 118 7.638 -7.683 8.993 1.00 1.52 H new ATOM 0 HG2 GLU A 118 8.266 -8.945 11.114 1.00 2.55 H new ATOM 0 HG3 GLU A 118 9.289 -9.976 10.133 1.00 2.55 H new ATOM 1867 N ALA A 119 5.851 -9.605 11.324 1.00 1.78 N ATOM 1868 CA ALA A 119 5.095 -9.042 12.448 1.00 1.92 C ATOM 1869 C ALA A 119 5.792 -7.740 12.890 1.00 1.93 C ATOM 1870 O ALA A 119 6.834 -7.801 13.539 1.00 2.32 O ATOM 1871 CB ALA A 119 5.032 -10.087 13.570 1.00 2.43 C ATOM 0 H ALA A 119 6.531 -10.313 11.601 1.00 1.78 H new ATOM 0 HA ALA A 119 4.070 -8.798 12.170 1.00 1.92 H new ATOM 0 HB1 ALA A 119 4.472 -9.682 14.413 1.00 2.43 H new ATOM 0 HB2 ALA A 119 4.536 -10.985 13.203 1.00 2.43 H new ATOM 0 HB3 ALA A 119 6.043 -10.337 13.892 1.00 2.43 H new ATOM 1877 N ARG A 120 5.270 -6.584 12.453 1.00 1.97 N ATOM 1878 CA ARG A 120 6.073 -5.354 12.310 1.00 1.90 C ATOM 1879 C ARG A 120 5.728 -4.187 13.221 1.00 2.40 C ATOM 1880 O ARG A 120 6.713 -3.625 13.752 1.00 3.17 O ATOM 1881 CB ARG A 120 6.125 -4.928 10.827 1.00 2.18 C ATOM 1882 CG ARG A 120 7.514 -5.201 10.234 1.00 2.59 C ATOM 1883 CD ARG A 120 8.552 -4.097 10.497 1.00 2.47 C ATOM 1884 NE ARG A 120 8.827 -3.953 11.934 1.00 3.16 N ATOM 1885 CZ ARG A 120 9.618 -4.732 12.640 1.00 4.18 C ATOM 1886 NH1 ARG A 120 10.492 -5.525 12.095 1.00 4.57 N ATOM 1887 NH2 ARG A 120 9.446 -4.735 13.928 1.00 5.45 N ATOM 1888 OXT ARG A 120 4.536 -3.802 13.255 1.00 3.03 O ATOM 0 H ARG A 120 4.291 -6.472 12.191 1.00 1.97 H new ATOM 0 HA ARG A 120 7.064 -5.637 12.665 1.00 1.90 H new ATOM 0 HB2 ARG A 120 5.369 -5.471 10.260 1.00 2.18 H new ATOM 0 HB3 ARG A 120 5.888 -3.868 10.739 1.00 2.18 H new ATOM 0 HG2 ARG A 120 7.890 -6.139 10.641 1.00 2.59 H new ATOM 0 HG3 ARG A 120 7.414 -5.338 9.157 1.00 2.59 H new ATOM 0 HD2 ARG A 120 9.477 -4.331 9.969 1.00 2.47 H new ATOM 0 HD3 ARG A 120 8.188 -3.150 10.098 1.00 2.47 H new ATOM 0 HE ARG A 120 8.367 -3.186 12.424 1.00 3.16 H new ATOM 0 HH11 ARG A 120 10.585 -5.561 11.080 1.00 4.57 H new ATOM 0 HH12 ARG A 120 11.085 -6.112 12.682 1.00 4.57 H new ATOM 0 HH21 ARG A 120 8.723 -4.150 14.347 1.00 5.45 H new ATOM 0 HH22 ARG A 120 10.034 -5.322 14.520 1.00 5.45 H new