USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=15 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 46 HIS : no HD1:sc= -0.298 K(o=-0.62,f=-4.1!) USER MOD Set 1.2: A 48 THR OG1 : rot 73:sc= 0 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -0.321 X(o=-0.62,f=-0.68) USER MOD Single : A 11 SER OG : rot -175:sc= 0.831 USER MOD Single : A 15 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.088) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 24 ASN : amide:sc= -0.0202 K(o=-0.02,f=-6!) USER MOD Single : A 37 THR OG1 : rot 99:sc= 0.494 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= 0.496 (180deg=-1.78!) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0322) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -172:sc= 0 (180deg=-0.0798) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.458 (180deg=-0.0176) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 1.69 (180deg=1.68) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 2.07 (180deg=1.76) USER MOD Single : A 94 LYS NZ :NH3+ 138:sc= -0.302! (180deg=-2.11!) USER MOD Single : A 109 LYS NZ :NH3+ -165:sc= 1.09 (180deg=0.898) USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.204) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 3.664 -1.957 11.355 1.00 1.56 N ATOM 56 CA GLU A 5 3.011 -2.668 10.256 1.00 1.31 C ATOM 57 C GLU A 5 1.753 -1.880 9.864 1.00 1.19 C ATOM 58 O GLU A 5 1.192 -1.148 10.682 1.00 2.08 O ATOM 59 CB GLU A 5 2.726 -4.117 10.683 1.00 2.61 C ATOM 60 CG GLU A 5 1.963 -4.997 9.681 1.00 4.34 C ATOM 61 CD GLU A 5 2.674 -5.204 8.335 1.00 5.95 C ATOM 62 OE1 GLU A 5 2.833 -4.209 7.581 1.00 6.77 O ATOM 63 OE2 GLU A 5 2.978 -6.383 8.037 1.00 7.06 O ATOM 0 HA GLU A 5 3.648 -2.733 9.374 1.00 1.31 H new ATOM 0 HB2 GLU A 5 3.678 -4.600 10.903 1.00 2.61 H new ATOM 0 HB3 GLU A 5 2.159 -4.092 11.614 1.00 2.61 H new ATOM 0 HG2 GLU A 5 1.786 -5.971 10.136 1.00 4.34 H new ATOM 0 HG3 GLU A 5 0.987 -4.549 9.495 1.00 4.34 H new ATOM 70 N GLY A 6 1.336 -1.985 8.603 1.00 1.23 N ATOM 71 CA GLY A 6 0.155 -1.296 8.082 1.00 1.17 C ATOM 72 C GLY A 6 -1.108 -2.132 8.240 1.00 0.92 C ATOM 73 O GLY A 6 -1.046 -3.342 8.422 1.00 1.33 O ATOM 0 H GLY A 6 1.814 -2.557 7.906 1.00 1.23 H new ATOM 0 HA2 GLY A 6 0.029 -0.347 8.603 1.00 1.17 H new ATOM 0 HA3 GLY A 6 0.306 -1.063 7.028 1.00 1.17 H new ATOM 77 N TRP A 7 -2.274 -1.499 8.106 1.00 0.93 N ATOM 78 CA TRP A 7 -3.578 -2.171 8.083 1.00 0.75 C ATOM 79 C TRP A 7 -4.211 -2.164 6.681 1.00 0.63 C ATOM 80 O TRP A 7 -3.765 -1.450 5.773 1.00 0.62 O ATOM 81 CB TRP A 7 -4.499 -1.556 9.155 1.00 0.95 C ATOM 82 CG TRP A 7 -4.873 -0.114 9.000 1.00 0.97 C ATOM 83 CD1 TRP A 7 -6.031 0.355 8.482 1.00 1.02 C ATOM 84 CD2 TRP A 7 -4.148 1.061 9.472 1.00 1.25 C ATOM 85 NE1 TRP A 7 -6.058 1.732 8.564 1.00 1.27 N ATOM 86 CE2 TRP A 7 -4.911 2.225 9.152 1.00 1.44 C ATOM 87 CE3 TRP A 7 -2.933 1.255 10.166 1.00 1.51 C ATOM 88 CZ2 TRP A 7 -4.466 3.517 9.471 1.00 1.84 C ATOM 89 CZ3 TRP A 7 -2.509 2.542 10.539 1.00 1.93 C ATOM 90 CH2 TRP A 7 -3.275 3.671 10.198 1.00 2.09 C ATOM 0 H TRP A 7 -2.342 -0.486 8.008 1.00 0.93 H new ATOM 0 HA TRP A 7 -3.431 -3.223 8.327 1.00 0.75 H new ATOM 0 HB2 TRP A 7 -5.418 -2.141 9.184 1.00 0.95 H new ATOM 0 HB3 TRP A 7 -4.014 -1.676 10.124 1.00 0.95 H new ATOM 0 HD1 TRP A 7 -6.817 -0.257 8.066 1.00 1.02 H new ATOM 0 HE1 TRP A 7 -6.828 2.312 8.232 1.00 1.27 H new ATOM 0 HE3 TRP A 7 -2.320 0.401 10.414 1.00 1.51 H new ATOM 0 HZ2 TRP A 7 -5.033 4.382 9.161 1.00 1.84 H new ATOM 0 HZ3 TRP A 7 -1.589 2.665 11.091 1.00 1.93 H new ATOM 0 HH2 TRP A 7 -2.947 4.656 10.495 1.00 2.09 H new ATOM 101 N VAL A 8 -5.276 -2.954 6.523 1.00 0.71 N ATOM 102 CA VAL A 8 -6.177 -2.905 5.353 1.00 0.77 C ATOM 103 C VAL A 8 -7.317 -1.929 5.643 1.00 0.76 C ATOM 104 O VAL A 8 -7.959 -2.024 6.692 1.00 0.87 O ATOM 105 CB VAL A 8 -6.770 -4.290 5.003 1.00 1.00 C ATOM 106 CG1 VAL A 8 -7.611 -4.236 3.714 1.00 1.08 C ATOM 107 CG2 VAL A 8 -5.669 -5.339 4.833 1.00 1.25 C ATOM 0 H VAL A 8 -5.546 -3.658 7.210 1.00 0.71 H new ATOM 0 HA VAL A 8 -5.588 -2.576 4.497 1.00 0.77 H new ATOM 0 HB VAL A 8 -7.413 -4.573 5.836 1.00 1.00 H new ATOM 0 HG11 VAL A 8 -8.012 -5.227 3.499 1.00 1.08 H new ATOM 0 HG12 VAL A 8 -8.433 -3.533 3.845 1.00 1.08 H new ATOM 0 HG13 VAL A 8 -6.984 -3.910 2.884 1.00 1.08 H new ATOM 0 HG21 VAL A 8 -6.118 -6.301 4.588 1.00 1.25 H new ATOM 0 HG22 VAL A 8 -4.999 -5.036 4.029 1.00 1.25 H new ATOM 0 HG23 VAL A 8 -5.105 -5.428 5.761 1.00 1.25 H new ATOM 117 N ARG A 9 -7.589 -1.022 4.696 1.00 0.75 N ATOM 118 CA ARG A 9 -8.749 -0.132 4.726 1.00 0.92 C ATOM 119 C ARG A 9 -9.987 -0.916 4.268 1.00 1.14 C ATOM 120 O ARG A 9 -10.147 -1.216 3.084 1.00 2.11 O ATOM 121 CB ARG A 9 -8.473 1.101 3.842 1.00 1.02 C ATOM 122 CG ARG A 9 -9.273 2.356 4.226 1.00 1.26 C ATOM 123 CD ARG A 9 -10.794 2.257 4.022 1.00 1.92 C ATOM 124 NE ARG A 9 -11.522 2.436 5.288 1.00 2.78 N ATOM 125 CZ ARG A 9 -12.832 2.553 5.439 1.00 3.90 C ATOM 126 NH1 ARG A 9 -13.694 2.241 4.497 1.00 4.53 N ATOM 127 NH2 ARG A 9 -13.275 2.989 6.595 1.00 4.90 N ATOM 0 H ARG A 9 -6.998 -0.887 3.876 1.00 0.75 H new ATOM 0 HA ARG A 9 -8.937 0.230 5.737 1.00 0.92 H new ATOM 0 HB2 ARG A 9 -7.410 1.335 3.890 1.00 1.02 H new ATOM 0 HB3 ARG A 9 -8.697 0.846 2.806 1.00 1.02 H new ATOM 0 HG2 ARG A 9 -9.078 2.584 5.274 1.00 1.26 H new ATOM 0 HG3 ARG A 9 -8.899 3.197 3.642 1.00 1.26 H new ATOM 0 HD2 ARG A 9 -11.116 3.013 3.306 1.00 1.92 H new ATOM 0 HD3 ARG A 9 -11.042 1.286 3.593 1.00 1.92 H new ATOM 0 HE ARG A 9 -10.959 2.474 6.138 1.00 2.78 H new ATOM 0 HH11 ARG A 9 -13.363 1.890 3.598 1.00 4.53 H new ATOM 0 HH12 ARG A 9 -14.694 2.350 4.665 1.00 4.53 H new ATOM 0 HH21 ARG A 9 -12.617 3.224 7.338 1.00 4.90 H new ATOM 0 HH22 ARG A 9 -14.278 3.093 6.751 1.00 4.90 H new ATOM 141 N PHE A 10 -10.866 -1.220 5.223 1.00 0.87 N ATOM 142 CA PHE A 10 -12.150 -1.903 5.036 1.00 0.90 C ATOM 143 C PHE A 10 -12.965 -1.426 3.817 1.00 1.10 C ATOM 144 O PHE A 10 -12.991 -0.238 3.499 1.00 1.37 O ATOM 145 CB PHE A 10 -12.930 -1.655 6.333 1.00 1.05 C ATOM 146 CG PHE A 10 -14.395 -2.032 6.311 1.00 1.19 C ATOM 147 CD1 PHE A 10 -15.345 -1.145 5.774 1.00 1.92 C ATOM 148 CD2 PHE A 10 -14.807 -3.282 6.801 1.00 1.72 C ATOM 149 CE1 PHE A 10 -16.687 -1.531 5.661 1.00 2.06 C ATOM 150 CE2 PHE A 10 -16.158 -3.659 6.722 1.00 2.06 C ATOM 151 CZ PHE A 10 -17.100 -2.789 6.139 1.00 1.80 C ATOM 0 H PHE A 10 -10.694 -0.985 6.200 1.00 0.87 H new ATOM 0 HA PHE A 10 -11.968 -2.958 4.830 1.00 0.90 H new ATOM 0 HB2 PHE A 10 -12.445 -2.210 7.136 1.00 1.05 H new ATOM 0 HB3 PHE A 10 -12.852 -0.597 6.584 1.00 1.05 H new ATOM 0 HD1 PHE A 10 -15.039 -0.162 5.447 1.00 1.92 H new ATOM 0 HD2 PHE A 10 -14.084 -3.954 7.239 1.00 1.72 H new ATOM 0 HE1 PHE A 10 -17.405 -0.864 5.207 1.00 2.06 H new ATOM 0 HE2 PHE A 10 -16.475 -4.616 7.109 1.00 2.06 H new ATOM 0 HZ PHE A 10 -18.135 -3.086 6.059 1.00 1.80 H new ATOM 161 N SER A 11 -13.757 -2.316 3.221 1.00 1.14 N ATOM 162 CA SER A 11 -14.840 -1.948 2.305 1.00 1.38 C ATOM 163 C SER A 11 -15.955 -3.007 2.313 1.00 1.38 C ATOM 164 O SER A 11 -15.660 -4.177 2.568 1.00 1.49 O ATOM 165 CB SER A 11 -14.257 -1.799 0.895 1.00 1.80 C ATOM 166 OG SER A 11 -15.189 -1.259 -0.021 1.00 2.85 O ATOM 0 H SER A 11 -13.666 -3.322 3.360 1.00 1.14 H new ATOM 0 HA SER A 11 -15.281 -1.005 2.629 1.00 1.38 H new ATOM 0 HB2 SER A 11 -13.377 -1.157 0.935 1.00 1.80 H new ATOM 0 HB3 SER A 11 -13.924 -2.774 0.538 1.00 1.80 H new ATOM 0 HG SER A 11 -14.799 -1.253 -0.920 1.00 2.85 H new ATOM 172 N PRO A 12 -17.220 -2.631 2.036 1.00 1.49 N ATOM 173 CA PRO A 12 -18.286 -3.574 1.706 1.00 1.66 C ATOM 174 C PRO A 12 -18.345 -3.872 0.194 1.00 1.70 C ATOM 175 O PRO A 12 -19.199 -4.643 -0.235 1.00 2.31 O ATOM 176 CB PRO A 12 -19.556 -2.856 2.172 1.00 1.87 C ATOM 177 CG PRO A 12 -19.264 -1.398 1.815 1.00 1.88 C ATOM 178 CD PRO A 12 -17.754 -1.272 2.044 1.00 1.68 C ATOM 0 HA PRO A 12 -18.141 -4.545 2.180 1.00 1.66 H new ATOM 0 HB2 PRO A 12 -20.443 -3.229 1.661 1.00 1.87 H new ATOM 0 HB3 PRO A 12 -19.726 -2.986 3.241 1.00 1.87 H new ATOM 0 HG2 PRO A 12 -19.534 -1.175 0.783 1.00 1.88 H new ATOM 0 HG3 PRO A 12 -19.825 -0.709 2.447 1.00 1.88 H new ATOM 0 HD2 PRO A 12 -17.292 -0.669 1.263 1.00 1.68 H new ATOM 0 HD3 PRO A 12 -17.545 -0.778 2.993 1.00 1.68 H new ATOM 186 N GLY A 13 -17.495 -3.226 -0.624 1.00 1.31 N ATOM 187 CA GLY A 13 -17.563 -3.243 -2.086 1.00 1.37 C ATOM 188 C GLY A 13 -16.407 -3.988 -2.775 1.00 1.21 C ATOM 189 O GLY A 13 -15.504 -4.493 -2.112 1.00 1.23 O ATOM 0 H GLY A 13 -16.721 -2.663 -0.270 1.00 1.31 H new ATOM 0 HA2 GLY A 13 -18.504 -3.703 -2.387 1.00 1.37 H new ATOM 0 HA3 GLY A 13 -17.581 -2.215 -2.447 1.00 1.37 H new ATOM 193 N PRO A 14 -16.411 -4.025 -4.125 1.00 1.23 N ATOM 194 CA PRO A 14 -15.434 -4.753 -4.942 1.00 1.26 C ATOM 195 C PRO A 14 -14.021 -4.158 -4.930 1.00 1.06 C ATOM 196 O PRO A 14 -13.080 -4.841 -5.337 1.00 1.17 O ATOM 197 CB PRO A 14 -15.998 -4.721 -6.364 1.00 1.45 C ATOM 198 CG PRO A 14 -16.867 -3.468 -6.393 1.00 1.44 C ATOM 199 CD PRO A 14 -17.426 -3.416 -4.975 1.00 1.40 C ATOM 0 HA PRO A 14 -15.309 -5.757 -4.537 1.00 1.26 H new ATOM 0 HB2 PRO A 14 -15.202 -4.671 -7.107 1.00 1.45 H new ATOM 0 HB3 PRO A 14 -16.582 -5.616 -6.581 1.00 1.45 H new ATOM 0 HG2 PRO A 14 -16.286 -2.577 -6.632 1.00 1.44 H new ATOM 0 HG3 PRO A 14 -17.659 -3.541 -7.138 1.00 1.44 H new ATOM 0 HD2 PRO A 14 -17.625 -2.388 -4.671 1.00 1.40 H new ATOM 0 HD3 PRO A 14 -18.369 -3.958 -4.907 1.00 1.40 H new ATOM 207 N ASN A 15 -13.869 -2.899 -4.506 1.00 0.88 N ATOM 208 CA ASN A 15 -12.602 -2.233 -4.286 1.00 0.71 C ATOM 209 C ASN A 15 -12.291 -1.965 -2.798 1.00 0.72 C ATOM 210 O ASN A 15 -13.185 -1.770 -1.971 1.00 0.98 O ATOM 211 CB ASN A 15 -12.600 -0.929 -5.089 1.00 0.79 C ATOM 212 CG ASN A 15 -13.609 0.108 -4.610 1.00 1.27 C ATOM 213 OD1 ASN A 15 -13.370 0.853 -3.674 1.00 2.39 O ATOM 214 ND2 ASN A 15 -14.766 0.189 -5.238 1.00 1.89 N ATOM 0 H ASN A 15 -14.668 -2.299 -4.301 1.00 0.88 H new ATOM 0 HA ASN A 15 -11.809 -2.900 -4.625 1.00 0.71 H new ATOM 0 HB2 ASN A 15 -11.602 -0.493 -5.048 1.00 0.79 H new ATOM 0 HB3 ASN A 15 -12.804 -1.160 -6.135 1.00 0.79 H new ATOM 0 HD21 ASN A 15 -15.461 0.874 -4.941 1.00 1.89 H new ATOM 0 HD22 ASN A 15 -14.966 -0.434 -6.021 1.00 1.89 H new ATOM 221 N ALA A 16 -10.990 -1.877 -2.502 1.00 0.59 N ATOM 222 CA ALA A 16 -10.374 -1.598 -1.200 1.00 0.61 C ATOM 223 C ALA A 16 -9.001 -0.896 -1.383 1.00 0.55 C ATOM 224 O ALA A 16 -8.588 -0.632 -2.514 1.00 0.53 O ATOM 225 CB ALA A 16 -10.270 -2.922 -0.424 1.00 0.71 C ATOM 0 H ALA A 16 -10.283 -2.010 -3.225 1.00 0.59 H new ATOM 0 HA ALA A 16 -10.988 -0.907 -0.622 1.00 0.61 H new ATOM 0 HB1 ALA A 16 -9.814 -2.739 0.549 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -11.266 -3.341 -0.285 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -9.656 -3.626 -0.986 1.00 0.71 H new ATOM 231 N ALA A 17 -8.291 -0.599 -0.290 1.00 0.58 N ATOM 232 CA ALA A 17 -6.975 0.055 -0.283 1.00 0.53 C ATOM 233 C ALA A 17 -6.141 -0.423 0.927 1.00 0.50 C ATOM 234 O ALA A 17 -6.717 -0.769 1.959 1.00 0.61 O ATOM 235 CB ALA A 17 -7.184 1.571 -0.229 1.00 0.65 C ATOM 0 H ALA A 17 -8.627 -0.814 0.649 1.00 0.58 H new ATOM 0 HA ALA A 17 -6.427 -0.207 -1.188 1.00 0.53 H new ATOM 0 HB1 ALA A 17 -6.216 2.072 -0.223 1.00 0.65 H new ATOM 0 HB2 ALA A 17 -7.753 1.891 -1.102 1.00 0.65 H new ATOM 0 HB3 ALA A 17 -7.732 1.831 0.677 1.00 0.65 H new ATOM 241 N ALA A 18 -4.802 -0.412 0.848 1.00 0.46 N ATOM 242 CA ALA A 18 -3.933 -0.944 1.916 1.00 0.48 C ATOM 243 C ALA A 18 -2.654 -0.119 2.161 1.00 0.44 C ATOM 244 O ALA A 18 -2.088 0.440 1.221 1.00 0.47 O ATOM 245 CB ALA A 18 -3.598 -2.403 1.576 1.00 0.56 C ATOM 0 H ALA A 18 -4.291 -0.037 0.049 1.00 0.46 H new ATOM 0 HA ALA A 18 -4.482 -0.878 2.855 1.00 0.48 H new ATOM 0 HB1 ALA A 18 -2.955 -2.819 2.352 1.00 0.56 H new ATOM 0 HB2 ALA A 18 -4.519 -2.984 1.517 1.00 0.56 H new ATOM 0 HB3 ALA A 18 -3.082 -2.444 0.617 1.00 0.56 H new ATOM 251 N TYR A 19 -2.197 -0.062 3.422 1.00 0.48 N ATOM 252 CA TYR A 19 -1.153 0.863 3.909 1.00 0.55 C ATOM 253 C TYR A 19 0.141 0.194 4.445 1.00 0.79 C ATOM 254 O TYR A 19 0.754 0.750 5.356 1.00 2.01 O ATOM 255 CB TYR A 19 -1.772 1.746 5.014 1.00 0.59 C ATOM 256 CG TYR A 19 -3.080 2.439 4.687 1.00 0.85 C ATOM 257 CD1 TYR A 19 -3.141 3.386 3.647 1.00 1.56 C ATOM 258 CD2 TYR A 19 -4.222 2.182 5.471 1.00 2.47 C ATOM 259 CE1 TYR A 19 -4.340 4.081 3.392 1.00 1.65 C ATOM 260 CE2 TYR A 19 -5.416 2.886 5.233 1.00 2.90 C ATOM 261 CZ TYR A 19 -5.477 3.843 4.196 1.00 1.81 C ATOM 262 OH TYR A 19 -6.617 4.557 3.983 1.00 2.32 O ATOM 0 H TYR A 19 -2.552 -0.675 4.155 1.00 0.48 H new ATOM 0 HA TYR A 19 -0.828 1.438 3.042 1.00 0.55 H new ATOM 0 HB2 TYR A 19 -1.929 1.125 5.896 1.00 0.59 H new ATOM 0 HB3 TYR A 19 -1.043 2.509 5.286 1.00 0.59 H new ATOM 0 HD1 TYR A 19 -2.267 3.580 3.043 1.00 1.56 H new ATOM 0 HD2 TYR A 19 -4.180 1.442 6.257 1.00 2.47 H new ATOM 0 HE1 TYR A 19 -4.390 4.795 2.583 1.00 1.65 H new ATOM 0 HE2 TYR A 19 -6.286 2.695 5.843 1.00 2.90 H new ATOM 0 HH TYR A 19 -7.305 4.272 4.619 1.00 2.32 H new ATOM 272 N LEU A 20 0.532 -0.986 3.938 1.00 1.17 N ATOM 273 CA LEU A 20 1.604 -1.862 4.477 1.00 1.17 C ATOM 274 C LEU A 20 2.971 -1.220 4.789 1.00 1.08 C ATOM 275 O LEU A 20 3.304 -0.158 4.253 1.00 0.96 O ATOM 276 CB LEU A 20 1.759 -3.081 3.548 1.00 1.27 C ATOM 277 CG LEU A 20 2.361 -2.855 2.145 1.00 1.22 C ATOM 278 CD1 LEU A 20 3.893 -2.941 2.109 1.00 1.69 C ATOM 279 CD2 LEU A 20 1.795 -3.913 1.187 1.00 1.88 C ATOM 0 H LEU A 20 0.095 -1.380 3.105 1.00 1.17 H new ATOM 0 HA LEU A 20 1.258 -2.142 5.472 1.00 1.17 H new ATOM 0 HB2 LEU A 20 2.379 -3.815 4.062 1.00 1.27 H new ATOM 0 HB3 LEU A 20 0.774 -3.530 3.420 1.00 1.27 H new ATOM 0 HG LEU A 20 2.089 -1.842 1.848 1.00 1.22 H new ATOM 0 HD11 LEU A 20 4.243 -2.772 1.091 1.00 1.69 H new ATOM 0 HD12 LEU A 20 4.316 -2.183 2.769 1.00 1.69 H new ATOM 0 HD13 LEU A 20 4.210 -3.929 2.442 1.00 1.69 H new ATOM 0 HD21 LEU A 20 2.213 -3.764 0.192 1.00 1.88 H new ATOM 0 HD22 LEU A 20 2.059 -4.908 1.546 1.00 1.88 H new ATOM 0 HD23 LEU A 20 0.710 -3.820 1.142 1.00 1.88 H new ATOM 291 N THR A 21 3.798 -1.897 5.604 1.00 1.22 N ATOM 292 CA THR A 21 5.188 -1.470 5.837 1.00 1.23 C ATOM 293 C THR A 21 6.101 -1.890 4.696 1.00 1.49 C ATOM 294 O THR A 21 6.303 -3.070 4.441 1.00 1.75 O ATOM 295 CB THR A 21 5.700 -1.948 7.192 1.00 1.58 C ATOM 296 OG1 THR A 21 5.030 -1.150 8.134 1.00 1.79 O ATOM 297 CG2 THR A 21 7.194 -1.696 7.409 1.00 2.01 C ATOM 0 H THR A 21 3.529 -2.740 6.111 1.00 1.22 H new ATOM 0 HA THR A 21 5.198 -0.380 5.862 1.00 1.23 H new ATOM 0 HB THR A 21 5.532 -3.022 7.270 1.00 1.58 H new ATOM 0 HG1 THR A 21 5.311 -1.405 9.038 1.00 1.79 H new ATOM 0 HG21 THR A 21 7.485 -2.062 8.393 1.00 2.01 H new ATOM 0 HG22 THR A 21 7.766 -2.220 6.643 1.00 2.01 H new ATOM 0 HG23 THR A 21 7.396 -0.627 7.345 1.00 2.01 H new ATOM 305 N LEU A 22 6.721 -0.902 4.049 1.00 1.76 N ATOM 306 CA LEU A 22 7.862 -1.120 3.156 1.00 2.23 C ATOM 307 C LEU A 22 9.138 -1.195 4.004 1.00 1.78 C ATOM 308 O LEU A 22 9.334 -0.374 4.913 1.00 1.42 O ATOM 309 CB LEU A 22 7.942 0.032 2.125 1.00 2.77 C ATOM 310 CG LEU A 22 8.441 -0.333 0.714 1.00 3.49 C ATOM 311 CD1 LEU A 22 9.736 -1.154 0.680 1.00 3.73 C ATOM 312 CD2 LEU A 22 7.359 -1.080 -0.069 1.00 3.75 C ATOM 0 H LEU A 22 6.445 0.077 4.129 1.00 1.76 H new ATOM 0 HA LEU A 22 7.746 -2.054 2.607 1.00 2.23 H new ATOM 0 HB2 LEU A 22 6.950 0.473 2.031 1.00 2.77 H new ATOM 0 HB3 LEU A 22 8.597 0.804 2.528 1.00 2.77 H new ATOM 0 HG LEU A 22 8.668 0.626 0.248 1.00 3.49 H new ATOM 0 HD11 LEU A 22 10.008 -1.362 -0.355 1.00 3.73 H new ATOM 0 HD12 LEU A 22 10.537 -0.591 1.159 1.00 3.73 H new ATOM 0 HD13 LEU A 22 9.585 -2.094 1.211 1.00 3.73 H new ATOM 0 HD21 LEU A 22 7.734 -1.327 -1.062 1.00 3.75 H new ATOM 0 HD22 LEU A 22 7.096 -1.997 0.458 1.00 3.75 H new ATOM 0 HD23 LEU A 22 6.475 -0.448 -0.162 1.00 3.75 H new ATOM 324 N GLU A 23 10.045 -2.112 3.675 1.00 2.09 N ATOM 325 CA GLU A 23 11.319 -2.264 4.367 1.00 1.77 C ATOM 326 C GLU A 23 12.423 -2.734 3.416 1.00 1.67 C ATOM 327 O GLU A 23 12.175 -2.997 2.236 1.00 2.48 O ATOM 328 CB GLU A 23 11.132 -3.121 5.636 1.00 2.06 C ATOM 329 CG GLU A 23 10.832 -4.617 5.415 1.00 3.33 C ATOM 330 CD GLU A 23 12.087 -5.483 5.276 1.00 4.48 C ATOM 331 OE1 GLU A 23 13.027 -5.262 6.073 1.00 4.40 O ATOM 332 OE2 GLU A 23 12.110 -6.349 4.377 1.00 6.15 O ATOM 0 H GLU A 23 9.913 -2.776 2.912 1.00 2.09 H new ATOM 0 HA GLU A 23 11.670 -1.293 4.717 1.00 1.77 H new ATOM 0 HB2 GLU A 23 12.036 -3.039 6.240 1.00 2.06 H new ATOM 0 HB3 GLU A 23 10.318 -2.692 6.221 1.00 2.06 H new ATOM 0 HG2 GLU A 23 10.237 -4.986 6.250 1.00 3.33 H new ATOM 0 HG3 GLU A 23 10.224 -4.728 4.517 1.00 3.33 H new ATOM 339 N ASN A 24 13.646 -2.746 3.933 1.00 1.07 N ATOM 340 CA ASN A 24 14.856 -3.136 3.224 1.00 0.93 C ATOM 341 C ASN A 24 15.941 -3.609 4.214 1.00 0.90 C ATOM 342 O ASN A 24 16.524 -2.781 4.922 1.00 0.96 O ATOM 343 CB ASN A 24 15.355 -1.941 2.391 1.00 0.88 C ATOM 344 CG ASN A 24 16.529 -2.315 1.500 1.00 0.85 C ATOM 345 OD1 ASN A 24 17.032 -3.430 1.520 1.00 1.38 O ATOM 346 ND2 ASN A 24 17.000 -1.395 0.682 1.00 0.89 N ATOM 0 H ASN A 24 13.828 -2.472 4.899 1.00 1.07 H new ATOM 0 HA ASN A 24 14.634 -3.971 2.559 1.00 0.93 H new ATOM 0 HB2 ASN A 24 14.539 -1.563 1.775 1.00 0.88 H new ATOM 0 HB3 ASN A 24 15.651 -1.132 3.059 1.00 0.88 H new ATOM 0 HD21 ASN A 24 17.783 -1.613 0.066 1.00 0.89 H new ATOM 0 HD22 ASN A 24 16.581 -0.465 0.665 1.00 0.89 H new ATOM 353 N PRO A 25 16.271 -4.912 4.236 1.00 1.04 N ATOM 354 CA PRO A 25 17.320 -5.471 5.084 1.00 1.08 C ATOM 355 C PRO A 25 18.712 -5.508 4.428 1.00 1.02 C ATOM 356 O PRO A 25 19.674 -5.889 5.096 1.00 1.12 O ATOM 357 CB PRO A 25 16.823 -6.893 5.369 1.00 1.27 C ATOM 358 CG PRO A 25 16.149 -7.274 4.051 1.00 1.39 C ATOM 359 CD PRO A 25 15.498 -5.975 3.615 1.00 1.32 C ATOM 0 HA PRO A 25 17.469 -4.856 5.972 1.00 1.08 H new ATOM 0 HB2 PRO A 25 17.642 -7.568 5.617 1.00 1.27 H new ATOM 0 HB3 PRO A 25 16.124 -6.919 6.205 1.00 1.27 H new ATOM 0 HG2 PRO A 25 16.871 -7.630 3.316 1.00 1.39 H new ATOM 0 HG3 PRO A 25 15.415 -8.068 4.187 1.00 1.39 H new ATOM 0 HD2 PRO A 25 15.506 -5.880 2.529 1.00 1.32 H new ATOM 0 HD3 PRO A 25 14.456 -5.935 3.931 1.00 1.32 H new ATOM 367 N GLY A 26 18.846 -5.157 3.141 1.00 0.98 N ATOM 368 CA GLY A 26 20.083 -5.269 2.382 1.00 1.04 C ATOM 369 C GLY A 26 20.934 -4.008 2.444 1.00 0.95 C ATOM 370 O GLY A 26 20.572 -3.000 3.042 1.00 1.18 O ATOM 0 H GLY A 26 18.073 -4.779 2.593 1.00 0.98 H new ATOM 0 HA2 GLY A 26 20.662 -6.111 2.763 1.00 1.04 H new ATOM 0 HA3 GLY A 26 19.846 -5.490 1.341 1.00 1.04 H new ATOM 374 N ASP A 27 22.087 -4.093 1.791 1.00 1.01 N ATOM 375 CA ASP A 27 23.110 -3.055 1.654 1.00 1.32 C ATOM 376 C ASP A 27 23.050 -2.351 0.284 1.00 1.29 C ATOM 377 O ASP A 27 23.833 -1.453 -0.017 1.00 1.48 O ATOM 378 CB ASP A 27 24.448 -3.750 1.898 1.00 1.75 C ATOM 379 CG ASP A 27 24.681 -3.917 3.398 1.00 2.23 C ATOM 380 OD1 ASP A 27 24.904 -2.896 4.089 1.00 3.29 O ATOM 381 OD2 ASP A 27 24.488 -5.037 3.923 1.00 2.48 O ATOM 0 H ASP A 27 22.354 -4.950 1.307 1.00 1.01 H new ATOM 0 HA ASP A 27 22.953 -2.253 2.375 1.00 1.32 H new ATOM 0 HB2 ASP A 27 24.456 -4.724 1.409 1.00 1.75 H new ATOM 0 HB3 ASP A 27 25.257 -3.166 1.458 1.00 1.75 H new ATOM 386 N LEU A 28 22.060 -2.733 -0.526 1.00 1.09 N ATOM 387 CA LEU A 28 21.672 -2.120 -1.792 1.00 1.07 C ATOM 388 C LEU A 28 20.221 -1.599 -1.711 1.00 0.95 C ATOM 389 O LEU A 28 19.473 -2.042 -0.836 1.00 0.90 O ATOM 390 CB LEU A 28 21.945 -3.146 -2.908 1.00 1.20 C ATOM 391 CG LEU A 28 21.134 -4.461 -2.869 1.00 1.52 C ATOM 392 CD1 LEU A 28 19.734 -4.327 -3.486 1.00 2.06 C ATOM 393 CD2 LEU A 28 21.898 -5.550 -3.638 1.00 1.89 C ATOM 0 H LEU A 28 21.470 -3.533 -0.296 1.00 1.09 H new ATOM 0 HA LEU A 28 22.261 -1.232 -2.024 1.00 1.07 H new ATOM 0 HB2 LEU A 28 21.758 -2.661 -3.866 1.00 1.20 H new ATOM 0 HB3 LEU A 28 23.004 -3.401 -2.881 1.00 1.20 H new ATOM 0 HG LEU A 28 21.009 -4.721 -1.818 1.00 1.52 H new ATOM 0 HD11 LEU A 28 19.217 -5.285 -3.427 1.00 2.06 H new ATOM 0 HD12 LEU A 28 19.166 -3.574 -2.940 1.00 2.06 H new ATOM 0 HD13 LEU A 28 19.824 -4.027 -4.530 1.00 2.06 H new ATOM 0 HD21 LEU A 28 21.330 -6.480 -3.613 1.00 1.89 H new ATOM 0 HD22 LEU A 28 22.035 -5.236 -4.673 1.00 1.89 H new ATOM 0 HD23 LEU A 28 22.872 -5.708 -3.174 1.00 1.89 H new ATOM 405 N PRO A 29 19.792 -0.668 -2.584 1.00 0.94 N ATOM 406 CA PRO A 29 18.466 -0.067 -2.495 1.00 0.87 C ATOM 407 C PRO A 29 17.390 -0.992 -3.084 1.00 0.83 C ATOM 408 O PRO A 29 17.610 -1.662 -4.094 1.00 0.97 O ATOM 409 CB PRO A 29 18.569 1.260 -3.251 1.00 0.93 C ATOM 410 CG PRO A 29 19.636 0.977 -4.310 1.00 1.03 C ATOM 411 CD PRO A 29 20.562 -0.050 -3.652 1.00 1.06 C ATOM 0 HA PRO A 29 18.162 0.095 -1.461 1.00 0.87 H new ATOM 0 HB2 PRO A 29 17.618 1.541 -3.703 1.00 0.93 H new ATOM 0 HB3 PRO A 29 18.862 2.077 -2.592 1.00 0.93 H new ATOM 0 HG2 PRO A 29 19.193 0.584 -5.225 1.00 1.03 H new ATOM 0 HG3 PRO A 29 20.177 1.884 -4.581 1.00 1.03 H new ATOM 0 HD2 PRO A 29 20.892 -0.796 -4.375 1.00 1.06 H new ATOM 0 HD3 PRO A 29 21.458 0.430 -3.258 1.00 1.06 H new ATOM 419 N LEU A 30 16.212 -1.014 -2.447 1.00 0.69 N ATOM 420 CA LEU A 30 15.032 -1.770 -2.873 1.00 0.62 C ATOM 421 C LEU A 30 13.991 -0.877 -3.532 1.00 0.57 C ATOM 422 O LEU A 30 13.903 0.324 -3.297 1.00 0.59 O ATOM 423 CB LEU A 30 14.390 -2.511 -1.685 1.00 0.64 C ATOM 424 CG LEU A 30 14.851 -3.965 -1.497 1.00 0.71 C ATOM 425 CD1 LEU A 30 14.127 -4.902 -2.466 1.00 2.53 C ATOM 426 CD2 LEU A 30 16.361 -4.162 -1.646 1.00 2.17 C ATOM 0 H LEU A 30 16.051 -0.486 -1.590 1.00 0.69 H new ATOM 0 HA LEU A 30 15.377 -2.497 -3.608 1.00 0.62 H new ATOM 0 HB2 LEU A 30 14.606 -1.957 -0.772 1.00 0.64 H new ATOM 0 HB3 LEU A 30 13.308 -2.503 -1.814 1.00 0.64 H new ATOM 0 HG LEU A 30 14.593 -4.212 -0.467 1.00 0.71 H new ATOM 0 HD11 LEU A 30 14.473 -5.924 -2.311 1.00 2.53 H new ATOM 0 HD12 LEU A 30 13.053 -4.851 -2.287 1.00 2.53 H new ATOM 0 HD13 LEU A 30 14.339 -4.599 -3.491 1.00 2.53 H new ATOM 0 HD21 LEU A 30 16.607 -5.214 -1.499 1.00 2.17 H new ATOM 0 HD22 LEU A 30 16.672 -3.852 -2.644 1.00 2.17 H new ATOM 0 HD23 LEU A 30 16.882 -3.560 -0.901 1.00 2.17 H new ATOM 438 N ARG A 31 13.159 -1.523 -4.342 1.00 0.60 N ATOM 439 CA ARG A 31 12.227 -0.851 -5.257 1.00 0.55 C ATOM 440 C ARG A 31 11.008 -1.711 -5.547 1.00 0.49 C ATOM 441 O ARG A 31 11.116 -2.702 -6.274 1.00 0.50 O ATOM 442 CB ARG A 31 12.955 -0.482 -6.558 1.00 0.57 C ATOM 443 CG ARG A 31 12.139 0.455 -7.473 1.00 0.59 C ATOM 444 CD ARG A 31 12.968 1.624 -8.037 1.00 1.05 C ATOM 445 NE ARG A 31 14.096 1.168 -8.867 1.00 1.02 N ATOM 446 CZ ARG A 31 15.249 1.808 -9.043 1.00 1.04 C ATOM 447 NH1 ARG A 31 15.524 2.968 -8.499 1.00 2.04 N ATOM 448 NH2 ARG A 31 16.184 1.266 -9.799 1.00 2.07 N ATOM 0 H ARG A 31 13.108 -2.541 -4.386 1.00 0.60 H new ATOM 0 HA ARG A 31 11.871 0.059 -4.775 1.00 0.55 H new ATOM 0 HB2 ARG A 31 13.902 -0.003 -6.312 1.00 0.57 H new ATOM 0 HB3 ARG A 31 13.192 -1.395 -7.104 1.00 0.57 H new ATOM 0 HG2 ARG A 31 11.728 -0.123 -8.301 1.00 0.59 H new ATOM 0 HG3 ARG A 31 11.294 0.854 -6.912 1.00 0.59 H new ATOM 0 HD2 ARG A 31 12.322 2.270 -8.631 1.00 1.05 H new ATOM 0 HD3 ARG A 31 13.349 2.226 -7.212 1.00 1.05 H new ATOM 0 HE ARG A 31 13.983 0.278 -9.352 1.00 1.02 H new ATOM 0 HH11 ARG A 31 14.835 3.428 -7.904 1.00 2.04 H new ATOM 0 HH12 ARG A 31 16.427 3.411 -8.671 1.00 2.04 H new ATOM 0 HH21 ARG A 31 16.020 0.363 -10.244 1.00 2.07 H new ATOM 0 HH22 ARG A 31 17.071 1.750 -9.939 1.00 2.07 H new ATOM 462 N LEU A 32 9.878 -1.362 -4.937 1.00 0.51 N ATOM 463 CA LEU A 32 8.596 -2.032 -5.118 1.00 0.55 C ATOM 464 C LEU A 32 7.934 -1.482 -6.370 1.00 0.51 C ATOM 465 O LEU A 32 7.679 -0.290 -6.414 1.00 0.53 O ATOM 466 CB LEU A 32 7.725 -1.783 -3.873 1.00 0.76 C ATOM 467 CG LEU A 32 6.355 -2.496 -3.986 1.00 1.06 C ATOM 468 CD1 LEU A 32 5.925 -3.088 -2.642 1.00 1.47 C ATOM 469 CD2 LEU A 32 5.258 -1.558 -4.518 1.00 2.40 C ATOM 0 H LEU A 32 9.829 -0.581 -4.283 1.00 0.51 H new ATOM 0 HA LEU A 32 8.729 -3.107 -5.237 1.00 0.55 H new ATOM 0 HB2 LEU A 32 8.248 -2.137 -2.985 1.00 0.76 H new ATOM 0 HB3 LEU A 32 7.569 -0.712 -3.745 1.00 0.76 H new ATOM 0 HG LEU A 32 6.485 -3.306 -4.704 1.00 1.06 H new ATOM 0 HD11 LEU A 32 4.960 -3.582 -2.754 1.00 1.47 H new ATOM 0 HD12 LEU A 32 6.667 -3.814 -2.310 1.00 1.47 H new ATOM 0 HD13 LEU A 32 5.841 -2.291 -1.903 1.00 1.47 H new ATOM 0 HD21 LEU A 32 4.315 -2.100 -4.581 1.00 2.40 H new ATOM 0 HD22 LEU A 32 5.145 -0.710 -3.842 1.00 2.40 H new ATOM 0 HD23 LEU A 32 5.536 -1.198 -5.508 1.00 2.40 H new ATOM 481 N VAL A 33 7.588 -2.335 -7.328 1.00 0.52 N ATOM 482 CA VAL A 33 6.886 -1.936 -8.566 1.00 0.50 C ATOM 483 C VAL A 33 5.436 -2.470 -8.597 1.00 0.50 C ATOM 484 O VAL A 33 4.639 -2.041 -9.427 1.00 0.51 O ATOM 485 CB VAL A 33 7.647 -2.446 -9.816 1.00 0.59 C ATOM 486 CG1 VAL A 33 9.095 -1.915 -9.861 1.00 0.56 C ATOM 487 CG2 VAL A 33 7.718 -3.986 -9.904 1.00 0.70 C ATOM 0 H VAL A 33 7.784 -3.335 -7.277 1.00 0.52 H new ATOM 0 HA VAL A 33 6.854 -0.847 -8.579 1.00 0.50 H new ATOM 0 HB VAL A 33 7.070 -2.067 -10.659 1.00 0.59 H new ATOM 0 HG11 VAL A 33 9.594 -2.295 -10.752 1.00 0.56 H new ATOM 0 HG12 VAL A 33 9.082 -0.825 -9.889 1.00 0.56 H new ATOM 0 HG13 VAL A 33 9.633 -2.249 -8.973 1.00 0.56 H new ATOM 0 HG21 VAL A 33 8.264 -4.274 -10.802 1.00 0.70 H new ATOM 0 HG22 VAL A 33 8.232 -4.377 -9.026 1.00 0.70 H new ATOM 0 HG23 VAL A 33 6.709 -4.395 -9.946 1.00 0.70 H new ATOM 497 N GLY A 34 5.103 -3.438 -7.723 1.00 0.50 N ATOM 498 CA GLY A 34 3.812 -4.134 -7.670 1.00 0.52 C ATOM 499 C GLY A 34 3.498 -4.763 -6.311 1.00 0.52 C ATOM 500 O GLY A 34 4.291 -4.691 -5.370 1.00 0.52 O ATOM 0 H GLY A 34 5.753 -3.766 -7.009 1.00 0.50 H new ATOM 0 HA2 GLY A 34 3.020 -3.429 -7.924 1.00 0.52 H new ATOM 0 HA3 GLY A 34 3.800 -4.914 -8.431 1.00 0.52 H new ATOM 504 N ALA A 35 2.363 -5.455 -6.238 1.00 0.55 N ATOM 505 CA ALA A 35 1.945 -6.284 -5.106 1.00 0.53 C ATOM 506 C ALA A 35 1.026 -7.434 -5.552 1.00 0.52 C ATOM 507 O ALA A 35 0.718 -7.571 -6.738 1.00 0.56 O ATOM 508 CB ALA A 35 1.283 -5.386 -4.049 1.00 0.52 C ATOM 0 H ALA A 35 1.681 -5.454 -6.996 1.00 0.55 H new ATOM 0 HA ALA A 35 2.821 -6.759 -4.663 1.00 0.53 H new ATOM 0 HB1 ALA A 35 0.968 -5.994 -3.201 1.00 0.52 H new ATOM 0 HB2 ALA A 35 1.997 -4.635 -3.711 1.00 0.52 H new ATOM 0 HB3 ALA A 35 0.414 -4.892 -4.484 1.00 0.52 H new ATOM 514 N ARG A 36 0.589 -8.236 -4.581 1.00 0.50 N ATOM 515 CA ARG A 36 -0.378 -9.330 -4.693 1.00 0.47 C ATOM 516 C ARG A 36 -1.029 -9.574 -3.318 1.00 0.47 C ATOM 517 O ARG A 36 -0.641 -8.955 -2.331 1.00 0.61 O ATOM 518 CB ARG A 36 0.318 -10.601 -5.245 1.00 0.57 C ATOM 519 CG ARG A 36 0.007 -10.905 -6.707 1.00 1.19 C ATOM 520 CD ARG A 36 -1.462 -11.291 -6.926 1.00 2.39 C ATOM 521 NE ARG A 36 -1.807 -11.200 -8.351 1.00 3.33 N ATOM 522 CZ ARG A 36 -2.988 -10.854 -8.852 1.00 5.08 C ATOM 523 NH1 ARG A 36 -4.063 -10.661 -8.118 1.00 6.31 N ATOM 524 NH2 ARG A 36 -3.141 -10.684 -10.145 1.00 6.10 N ATOM 0 H ARG A 36 0.926 -8.131 -3.624 1.00 0.50 H new ATOM 0 HA ARG A 36 -1.167 -9.065 -5.397 1.00 0.47 H new ATOM 0 HB2 ARG A 36 1.396 -10.488 -5.131 1.00 0.57 H new ATOM 0 HB3 ARG A 36 0.021 -11.456 -4.638 1.00 0.57 H new ATOM 0 HG2 ARG A 36 0.245 -10.032 -7.315 1.00 1.19 H new ATOM 0 HG3 ARG A 36 0.648 -11.717 -7.051 1.00 1.19 H new ATOM 0 HD2 ARG A 36 -1.636 -12.305 -6.567 1.00 2.39 H new ATOM 0 HD3 ARG A 36 -2.108 -10.632 -6.346 1.00 2.39 H new ATOM 0 HE ARG A 36 -1.070 -11.424 -9.019 1.00 3.33 H new ATOM 0 HH11 ARG A 36 -4.017 -10.776 -7.106 1.00 6.31 H new ATOM 0 HH12 ARG A 36 -4.943 -10.396 -8.561 1.00 6.31 H new ATOM 0 HH21 ARG A 36 -2.349 -10.818 -10.774 1.00 6.10 H new ATOM 0 HH22 ARG A 36 -4.052 -10.418 -10.520 1.00 6.10 H new ATOM 538 N THR A 37 -2.038 -10.450 -3.280 1.00 0.47 N ATOM 539 CA THR A 37 -2.795 -10.945 -2.118 1.00 0.56 C ATOM 540 C THR A 37 -3.858 -11.901 -2.656 1.00 0.60 C ATOM 541 O THR A 37 -4.350 -11.661 -3.765 1.00 0.56 O ATOM 542 CB THR A 37 -3.388 -9.821 -1.245 1.00 0.63 C ATOM 543 OG1 THR A 37 -4.228 -10.356 -0.257 1.00 0.82 O ATOM 544 CG2 THR A 37 -4.229 -8.802 -2.010 1.00 0.62 C ATOM 0 H THR A 37 -2.381 -10.873 -4.143 1.00 0.47 H new ATOM 0 HA THR A 37 -2.123 -11.466 -1.436 1.00 0.56 H new ATOM 0 HB THR A 37 -2.515 -9.316 -0.831 1.00 0.63 H new ATOM 0 HG1 THR A 37 -3.740 -10.413 0.591 1.00 0.82 H new ATOM 0 HG21 THR A 37 -4.606 -8.049 -1.318 1.00 0.62 H new ATOM 0 HG22 THR A 37 -3.614 -8.321 -2.771 1.00 0.62 H new ATOM 0 HG23 THR A 37 -5.068 -9.308 -2.488 1.00 0.62 H new ATOM 552 N PRO A 38 -4.233 -12.966 -1.924 1.00 0.83 N ATOM 553 CA PRO A 38 -5.234 -13.915 -2.405 1.00 1.00 C ATOM 554 C PRO A 38 -6.654 -13.337 -2.451 1.00 0.99 C ATOM 555 O PRO A 38 -7.523 -13.892 -3.118 1.00 1.22 O ATOM 556 CB PRO A 38 -5.116 -15.122 -1.472 1.00 1.26 C ATOM 557 CG PRO A 38 -4.524 -14.564 -0.179 1.00 1.30 C ATOM 558 CD PRO A 38 -3.669 -13.389 -0.646 1.00 1.05 C ATOM 0 HA PRO A 38 -5.047 -14.187 -3.444 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -6.089 -15.581 -1.295 1.00 1.26 H new ATOM 0 HB3 PRO A 38 -4.474 -15.891 -1.901 1.00 1.26 H new ATOM 0 HG2 PRO A 38 -5.304 -14.242 0.511 1.00 1.30 H new ATOM 0 HG3 PRO A 38 -3.926 -15.312 0.342 1.00 1.30 H new ATOM 0 HD2 PRO A 38 -3.693 -12.576 0.080 1.00 1.05 H new ATOM 0 HD3 PRO A 38 -2.626 -13.685 -0.758 1.00 1.05 H new ATOM 566 N VAL A 39 -6.880 -12.208 -1.775 1.00 0.87 N ATOM 567 CA VAL A 39 -8.181 -11.521 -1.705 1.00 0.90 C ATOM 568 C VAL A 39 -8.279 -10.308 -2.644 1.00 0.89 C ATOM 569 O VAL A 39 -9.131 -9.459 -2.428 1.00 1.22 O ATOM 570 CB VAL A 39 -8.566 -11.161 -0.247 1.00 0.94 C ATOM 571 CG1 VAL A 39 -8.706 -12.437 0.599 1.00 1.02 C ATOM 572 CG2 VAL A 39 -7.556 -10.222 0.422 1.00 0.92 C ATOM 0 H VAL A 39 -6.149 -11.731 -1.247 1.00 0.87 H new ATOM 0 HA VAL A 39 -8.918 -12.237 -2.069 1.00 0.90 H new ATOM 0 HB VAL A 39 -9.520 -10.636 -0.301 1.00 0.94 H new ATOM 0 HG11 VAL A 39 -8.977 -12.169 1.620 1.00 1.02 H new ATOM 0 HG12 VAL A 39 -9.482 -13.073 0.173 1.00 1.02 H new ATOM 0 HG13 VAL A 39 -7.758 -12.976 0.604 1.00 1.02 H new ATOM 0 HG21 VAL A 39 -7.879 -10.006 1.440 1.00 0.92 H new ATOM 0 HG22 VAL A 39 -6.576 -10.699 0.446 1.00 0.92 H new ATOM 0 HG23 VAL A 39 -7.493 -9.292 -0.144 1.00 0.92 H new ATOM 582 N ALA A 40 -7.469 -10.223 -3.709 1.00 0.64 N ATOM 583 CA ALA A 40 -7.631 -9.223 -4.774 1.00 0.58 C ATOM 584 C ALA A 40 -7.269 -9.830 -6.137 1.00 0.66 C ATOM 585 O ALA A 40 -6.291 -10.559 -6.278 1.00 1.02 O ATOM 586 CB ALA A 40 -6.752 -8.005 -4.462 1.00 0.62 C ATOM 0 H ALA A 40 -6.678 -10.850 -3.856 1.00 0.64 H new ATOM 0 HA ALA A 40 -8.672 -8.904 -4.820 1.00 0.58 H new ATOM 0 HB1 ALA A 40 -6.869 -7.261 -5.250 1.00 0.62 H new ATOM 0 HB2 ALA A 40 -7.053 -7.574 -3.507 1.00 0.62 H new ATOM 0 HB3 ALA A 40 -5.708 -8.314 -4.407 1.00 0.62 H new ATOM 592 N GLU A 41 -8.052 -9.522 -7.164 1.00 0.65 N ATOM 593 CA GLU A 41 -7.836 -10.000 -8.530 1.00 0.78 C ATOM 594 C GLU A 41 -6.814 -9.126 -9.264 1.00 0.79 C ATOM 595 O GLU A 41 -5.930 -9.629 -9.966 1.00 1.01 O ATOM 596 CB GLU A 41 -9.188 -9.925 -9.233 1.00 0.87 C ATOM 597 CG GLU A 41 -9.217 -10.573 -10.613 1.00 1.07 C ATOM 598 CD GLU A 41 -10.628 -10.420 -11.152 1.00 2.35 C ATOM 599 OE1 GLU A 41 -11.509 -11.126 -10.615 1.00 3.10 O ATOM 600 OE2 GLU A 41 -10.827 -9.538 -12.019 1.00 3.81 O ATOM 0 H GLU A 41 -8.871 -8.922 -7.072 1.00 0.65 H new ATOM 0 HA GLU A 41 -7.442 -11.016 -8.523 1.00 0.78 H new ATOM 0 HB2 GLU A 41 -9.938 -10.404 -8.604 1.00 0.87 H new ATOM 0 HB3 GLU A 41 -9.476 -8.878 -9.330 1.00 0.87 H new ATOM 0 HG2 GLU A 41 -8.497 -10.095 -11.278 1.00 1.07 H new ATOM 0 HG3 GLU A 41 -8.942 -11.626 -10.549 1.00 1.07 H new ATOM 607 N ARG A 42 -6.934 -7.816 -9.047 1.00 0.70 N ATOM 608 CA ARG A 42 -6.197 -6.727 -9.660 1.00 0.79 C ATOM 609 C ARG A 42 -5.719 -5.827 -8.512 1.00 0.72 C ATOM 610 O ARG A 42 -6.330 -5.778 -7.442 1.00 0.84 O ATOM 611 CB ARG A 42 -7.125 -5.963 -10.634 1.00 1.11 C ATOM 612 CG ARG A 42 -7.860 -6.896 -11.619 1.00 1.86 C ATOM 613 CD ARG A 42 -8.855 -6.184 -12.542 1.00 2.45 C ATOM 614 NE ARG A 42 -9.847 -7.155 -13.039 1.00 3.97 N ATOM 615 CZ ARG A 42 -10.644 -7.086 -14.092 1.00 5.21 C ATOM 616 NH1 ARG A 42 -10.604 -6.084 -14.946 1.00 5.36 N ATOM 617 NH2 ARG A 42 -11.504 -8.066 -14.264 1.00 6.69 N ATOM 0 H ARG A 42 -7.615 -7.465 -8.374 1.00 0.70 H new ATOM 0 HA ARG A 42 -5.344 -7.080 -10.239 1.00 0.79 H new ATOM 0 HB2 ARG A 42 -7.859 -5.398 -10.060 1.00 1.11 H new ATOM 0 HB3 ARG A 42 -6.536 -5.240 -11.198 1.00 1.11 H new ATOM 0 HG2 ARG A 42 -7.121 -7.413 -12.231 1.00 1.86 H new ATOM 0 HG3 ARG A 42 -8.392 -7.658 -11.050 1.00 1.86 H new ATOM 0 HD2 ARG A 42 -9.356 -5.380 -12.003 1.00 2.45 H new ATOM 0 HD3 ARG A 42 -8.328 -5.726 -13.379 1.00 2.45 H new ATOM 0 HE ARG A 42 -9.931 -8.009 -12.487 1.00 3.97 H new ATOM 0 HH11 ARG A 42 -9.940 -5.322 -14.808 1.00 5.36 H new ATOM 0 HH12 ARG A 42 -11.237 -6.070 -15.746 1.00 5.36 H new ATOM 0 HH21 ARG A 42 -11.537 -8.838 -13.599 1.00 6.69 H new ATOM 0 HH22 ARG A 42 -12.138 -8.054 -15.063 1.00 6.69 H new ATOM 631 N VAL A 43 -4.620 -5.134 -8.743 1.00 0.92 N ATOM 632 CA VAL A 43 -4.003 -4.209 -7.786 1.00 0.91 C ATOM 633 C VAL A 43 -3.363 -3.056 -8.559 1.00 1.04 C ATOM 634 O VAL A 43 -2.879 -3.269 -9.671 1.00 1.43 O ATOM 635 CB VAL A 43 -2.980 -4.918 -6.860 1.00 0.90 C ATOM 636 CG1 VAL A 43 -1.642 -5.248 -7.545 1.00 1.07 C ATOM 637 CG2 VAL A 43 -2.704 -4.127 -5.572 1.00 0.93 C ATOM 0 H VAL A 43 -4.110 -5.194 -9.624 1.00 0.92 H new ATOM 0 HA VAL A 43 -4.777 -3.817 -7.126 1.00 0.91 H new ATOM 0 HB VAL A 43 -3.465 -5.861 -6.606 1.00 0.90 H new ATOM 0 HG11 VAL A 43 -0.981 -5.742 -6.833 1.00 1.07 H new ATOM 0 HG12 VAL A 43 -1.821 -5.909 -8.393 1.00 1.07 H new ATOM 0 HG13 VAL A 43 -1.175 -4.327 -7.895 1.00 1.07 H new ATOM 0 HG21 VAL A 43 -1.982 -4.668 -4.961 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -2.302 -3.146 -5.826 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -3.632 -4.005 -5.014 1.00 0.93 H new ATOM 647 N GLU A 44 -3.380 -1.863 -7.973 1.00 0.80 N ATOM 648 CA GLU A 44 -2.753 -0.646 -8.485 1.00 0.72 C ATOM 649 C GLU A 44 -1.959 0.014 -7.355 1.00 0.56 C ATOM 650 O GLU A 44 -2.372 -0.021 -6.196 1.00 0.66 O ATOM 651 CB GLU A 44 -3.820 0.339 -8.978 1.00 0.83 C ATOM 652 CG GLU A 44 -4.534 -0.109 -10.261 1.00 1.31 C ATOM 653 CD GLU A 44 -5.788 0.727 -10.532 1.00 2.17 C ATOM 654 OE1 GLU A 44 -5.826 1.895 -10.082 1.00 3.12 O ATOM 655 OE2 GLU A 44 -6.729 0.176 -11.142 1.00 3.03 O ATOM 0 H GLU A 44 -3.855 -1.710 -7.083 1.00 0.80 H new ATOM 0 HA GLU A 44 -2.097 -0.907 -9.315 1.00 0.72 H new ATOM 0 HB2 GLU A 44 -4.561 0.480 -8.192 1.00 0.83 H new ATOM 0 HB3 GLU A 44 -3.353 1.308 -9.153 1.00 0.83 H new ATOM 0 HG2 GLU A 44 -3.851 -0.025 -11.106 1.00 1.31 H new ATOM 0 HG3 GLU A 44 -4.809 -1.160 -10.177 1.00 1.31 H new ATOM 662 N LEU A 45 -0.830 0.637 -7.678 1.00 0.59 N ATOM 663 CA LEU A 45 -0.015 1.363 -6.702 1.00 0.57 C ATOM 664 C LEU A 45 -0.304 2.861 -6.804 1.00 0.46 C ATOM 665 O LEU A 45 -0.080 3.464 -7.854 1.00 0.45 O ATOM 666 CB LEU A 45 1.454 1.018 -6.974 1.00 0.90 C ATOM 667 CG LEU A 45 2.444 1.725 -6.035 1.00 0.49 C ATOM 668 CD1 LEU A 45 2.371 1.241 -4.581 1.00 0.98 C ATOM 669 CD2 LEU A 45 3.844 1.445 -6.573 1.00 0.97 C ATOM 0 H LEU A 45 -0.451 0.654 -8.625 1.00 0.59 H new ATOM 0 HA LEU A 45 -0.254 1.072 -5.679 1.00 0.57 H new ATOM 0 HB2 LEU A 45 1.587 -0.060 -6.881 1.00 0.90 H new ATOM 0 HB3 LEU A 45 1.694 1.281 -8.004 1.00 0.90 H new ATOM 0 HG LEU A 45 2.194 2.786 -6.017 1.00 0.49 H new ATOM 0 HD11 LEU A 45 3.099 1.786 -3.979 1.00 0.98 H new ATOM 0 HD12 LEU A 45 1.370 1.418 -4.188 1.00 0.98 H new ATOM 0 HD13 LEU A 45 2.593 0.175 -4.541 1.00 0.98 H new ATOM 0 HD21 LEU A 45 4.583 1.930 -5.935 1.00 0.97 H new ATOM 0 HD22 LEU A 45 4.022 0.370 -6.582 1.00 0.97 H new ATOM 0 HD23 LEU A 45 3.929 1.835 -7.587 1.00 0.97 H new ATOM 681 N HIS A 46 -0.801 3.471 -5.726 1.00 0.48 N ATOM 682 CA HIS A 46 -1.247 4.866 -5.674 1.00 0.49 C ATOM 683 C HIS A 46 -0.527 5.717 -4.609 1.00 0.54 C ATOM 684 O HIS A 46 -0.131 5.242 -3.540 1.00 0.63 O ATOM 685 CB HIS A 46 -2.754 4.915 -5.349 1.00 0.53 C ATOM 686 CG HIS A 46 -3.749 4.399 -6.355 1.00 0.50 C ATOM 687 ND1 HIS A 46 -5.116 4.352 -6.128 1.00 0.52 N ATOM 688 CD2 HIS A 46 -3.518 3.883 -7.596 1.00 0.50 C ATOM 689 CE1 HIS A 46 -5.681 3.811 -7.210 1.00 0.55 C ATOM 690 NE2 HIS A 46 -4.741 3.526 -8.127 1.00 0.54 N ATOM 0 H HIS A 46 -0.908 2.990 -4.833 1.00 0.48 H new ATOM 0 HA HIS A 46 -1.014 5.283 -6.654 1.00 0.49 H new ATOM 0 HB2 HIS A 46 -2.906 4.358 -4.424 1.00 0.53 H new ATOM 0 HB3 HIS A 46 -3.009 5.954 -5.141 1.00 0.53 H new ATOM 0 HD2 HIS A 46 -2.556 3.774 -8.075 1.00 0.50 H new ATOM 0 HE1 HIS A 46 -6.739 3.629 -7.331 1.00 0.55 H new ATOM 0 HE2 HIS A 46 -4.902 3.119 -9.049 1.00 0.54 H new ATOM 698 N GLU A 47 -0.492 7.019 -4.879 1.00 0.53 N ATOM 699 CA GLU A 47 -0.222 8.070 -3.896 1.00 0.59 C ATOM 700 C GLU A 47 -1.515 8.778 -3.453 1.00 0.62 C ATOM 701 O GLU A 47 -2.538 8.706 -4.151 1.00 0.70 O ATOM 702 CB GLU A 47 0.818 9.056 -4.450 1.00 0.66 C ATOM 703 CG GLU A 47 0.281 10.049 -5.482 1.00 0.84 C ATOM 704 CD GLU A 47 1.325 11.084 -5.892 1.00 1.11 C ATOM 705 OE1 GLU A 47 2.487 10.744 -6.187 1.00 2.31 O ATOM 706 OE2 GLU A 47 0.921 12.250 -6.089 1.00 2.02 O ATOM 0 H GLU A 47 -0.656 7.386 -5.817 1.00 0.53 H new ATOM 0 HA GLU A 47 0.196 7.608 -3.001 1.00 0.59 H new ATOM 0 HB2 GLU A 47 1.246 9.615 -3.618 1.00 0.66 H new ATOM 0 HB3 GLU A 47 1.630 8.488 -4.903 1.00 0.66 H new ATOM 0 HG2 GLU A 47 -0.054 9.505 -6.365 1.00 0.84 H new ATOM 0 HG3 GLU A 47 -0.591 10.559 -5.072 1.00 0.84 H new ATOM 713 N THR A 48 -1.459 9.512 -2.333 1.00 0.75 N ATOM 714 CA THR A 48 -2.450 10.514 -1.929 1.00 0.68 C ATOM 715 C THR A 48 -1.685 11.834 -1.804 1.00 0.61 C ATOM 716 O THR A 48 -0.637 11.847 -1.171 1.00 0.72 O ATOM 717 CB THR A 48 -3.025 10.096 -0.579 1.00 0.67 C ATOM 718 OG1 THR A 48 -3.760 8.904 -0.742 1.00 0.88 O ATOM 719 CG2 THR A 48 -3.968 11.142 0.018 1.00 0.67 C ATOM 0 H THR A 48 -0.696 9.420 -1.662 1.00 0.75 H new ATOM 0 HA THR A 48 -3.271 10.612 -2.639 1.00 0.68 H new ATOM 0 HB THR A 48 -2.180 9.971 0.098 1.00 0.67 H new ATOM 0 HG1 THR A 48 -3.143 8.154 -0.874 1.00 0.88 H new ATOM 0 HG21 THR A 48 -4.344 10.787 0.977 1.00 0.67 H new ATOM 0 HG22 THR A 48 -3.428 12.078 0.164 1.00 0.67 H new ATOM 0 HG23 THR A 48 -4.804 11.308 -0.661 1.00 0.67 H new ATOM 727 N PHE A 49 -2.180 12.920 -2.407 1.00 0.61 N ATOM 728 CA PHE A 49 -1.445 14.187 -2.528 1.00 0.70 C ATOM 729 C PHE A 49 -2.211 15.417 -2.028 1.00 0.61 C ATOM 730 O PHE A 49 -3.423 15.402 -1.820 1.00 0.52 O ATOM 731 CB PHE A 49 -0.976 14.381 -3.982 1.00 0.85 C ATOM 732 CG PHE A 49 -2.057 14.585 -5.037 1.00 0.78 C ATOM 733 CD1 PHE A 49 -2.649 15.851 -5.199 1.00 1.90 C ATOM 734 CD2 PHE A 49 -2.419 13.541 -5.912 1.00 2.06 C ATOM 735 CE1 PHE A 49 -3.590 16.078 -6.218 1.00 2.08 C ATOM 736 CE2 PHE A 49 -3.359 13.767 -6.938 1.00 1.94 C ATOM 737 CZ PHE A 49 -3.936 15.041 -7.097 1.00 0.90 C ATOM 0 H PHE A 49 -3.109 12.946 -2.828 1.00 0.61 H new ATOM 0 HA PHE A 49 -0.584 14.105 -1.865 1.00 0.70 H new ATOM 0 HB2 PHE A 49 -0.308 15.242 -4.010 1.00 0.85 H new ATOM 0 HB3 PHE A 49 -0.385 13.510 -4.266 1.00 0.85 H new ATOM 0 HD1 PHE A 49 -2.377 16.657 -4.533 1.00 1.90 H new ATOM 0 HD2 PHE A 49 -1.974 12.564 -5.796 1.00 2.06 H new ATOM 0 HE1 PHE A 49 -4.047 17.051 -6.324 1.00 2.08 H new ATOM 0 HE2 PHE A 49 -3.637 12.962 -7.602 1.00 1.94 H new ATOM 0 HZ PHE A 49 -4.643 15.220 -7.894 1.00 0.90 H new ATOM 747 N MET A 50 -1.478 16.526 -1.908 1.00 0.79 N ATOM 748 CA MET A 50 -1.995 17.873 -1.652 1.00 0.85 C ATOM 749 C MET A 50 -1.852 18.773 -2.888 1.00 0.85 C ATOM 750 O MET A 50 -0.921 18.618 -3.676 1.00 0.90 O ATOM 751 CB MET A 50 -1.280 18.486 -0.442 1.00 1.08 C ATOM 752 CG MET A 50 0.237 18.623 -0.620 1.00 3.05 C ATOM 753 SD MET A 50 1.005 19.618 0.679 1.00 3.54 S ATOM 754 CE MET A 50 2.270 20.445 -0.314 1.00 4.99 C ATOM 0 H MET A 50 -0.461 16.509 -1.990 1.00 0.79 H new ATOM 0 HA MET A 50 -3.059 17.795 -1.430 1.00 0.85 H new ATOM 0 HB2 MET A 50 -1.703 19.471 -0.243 1.00 1.08 H new ATOM 0 HB3 MET A 50 -1.479 17.870 0.435 1.00 1.08 H new ATOM 0 HG2 MET A 50 0.689 17.631 -0.627 1.00 3.05 H new ATOM 0 HG3 MET A 50 0.446 19.075 -1.590 1.00 3.05 H new ATOM 0 HE1 MET A 50 2.854 21.110 0.322 1.00 4.99 H new ATOM 0 HE2 MET A 50 2.928 19.699 -0.760 1.00 4.99 H new ATOM 0 HE3 MET A 50 1.792 21.025 -1.103 1.00 4.99 H new ATOM 764 N ARG A 51 -2.781 19.716 -3.068 1.00 0.94 N ATOM 765 CA ARG A 51 -2.859 20.589 -4.244 1.00 0.98 C ATOM 766 C ARG A 51 -3.589 21.885 -3.902 1.00 1.14 C ATOM 767 O ARG A 51 -4.521 21.887 -3.103 1.00 1.18 O ATOM 768 CB ARG A 51 -3.581 19.854 -5.390 1.00 0.93 C ATOM 769 CG ARG A 51 -2.842 19.881 -6.742 1.00 1.42 C ATOM 770 CD ARG A 51 -3.403 20.974 -7.655 1.00 2.08 C ATOM 771 NE ARG A 51 -2.546 21.209 -8.833 1.00 3.08 N ATOM 772 CZ ARG A 51 -2.301 22.381 -9.412 1.00 4.04 C ATOM 773 NH1 ARG A 51 -2.826 23.511 -8.983 1.00 4.57 N ATOM 774 NH2 ARG A 51 -1.503 22.440 -10.456 1.00 5.04 N ATOM 0 H ARG A 51 -3.517 19.898 -2.385 1.00 0.94 H new ATOM 0 HA ARG A 51 -1.848 20.841 -4.563 1.00 0.98 H new ATOM 0 HB2 ARG A 51 -3.735 18.816 -5.097 1.00 0.93 H new ATOM 0 HB3 ARG A 51 -4.568 20.297 -5.522 1.00 0.93 H new ATOM 0 HG2 ARG A 51 -1.779 20.053 -6.575 1.00 1.42 H new ATOM 0 HG3 ARG A 51 -2.936 18.911 -7.231 1.00 1.42 H new ATOM 0 HD2 ARG A 51 -4.403 20.692 -7.985 1.00 2.08 H new ATOM 0 HD3 ARG A 51 -3.504 21.901 -7.090 1.00 2.08 H new ATOM 0 HE ARG A 51 -2.097 20.391 -9.244 1.00 3.08 H new ATOM 0 HH11 ARG A 51 -3.449 23.510 -8.175 1.00 4.57 H new ATOM 0 HH12 ARG A 51 -2.610 24.387 -9.459 1.00 4.57 H new ATOM 0 HH21 ARG A 51 -1.074 21.589 -10.819 1.00 5.04 H new ATOM 0 HH22 ARG A 51 -1.313 23.337 -10.903 1.00 5.04 H new ATOM 788 N GLU A 52 -3.221 22.977 -4.552 1.00 1.31 N ATOM 789 CA GLU A 52 -3.914 24.249 -4.482 1.00 1.52 C ATOM 790 C GLU A 52 -4.833 24.408 -5.693 1.00 1.52 C ATOM 791 O GLU A 52 -4.417 24.075 -6.805 1.00 1.49 O ATOM 792 CB GLU A 52 -2.821 25.319 -4.496 1.00 1.75 C ATOM 793 CG GLU A 52 -3.352 26.728 -4.291 1.00 2.01 C ATOM 794 CD GLU A 52 -3.623 26.999 -2.818 1.00 1.97 C ATOM 795 OE1 GLU A 52 -4.420 26.229 -2.248 1.00 1.89 O ATOM 796 OE2 GLU A 52 -3.048 27.957 -2.275 1.00 2.93 O ATOM 0 H GLU A 52 -2.404 23.001 -5.163 1.00 1.31 H new ATOM 0 HA GLU A 52 -4.535 24.326 -3.590 1.00 1.52 H new ATOM 0 HB2 GLU A 52 -2.094 25.096 -3.715 1.00 1.75 H new ATOM 0 HB3 GLU A 52 -2.291 25.274 -5.447 1.00 1.75 H new ATOM 0 HG2 GLU A 52 -2.631 27.451 -4.671 1.00 2.01 H new ATOM 0 HG3 GLU A 52 -4.270 26.862 -4.864 1.00 2.01 H new ATOM 803 N VAL A 53 -6.037 24.952 -5.509 1.00 1.66 N ATOM 804 CA VAL A 53 -6.933 25.381 -6.601 1.00 1.77 C ATOM 805 C VAL A 53 -7.551 26.728 -6.213 1.00 2.07 C ATOM 806 O VAL A 53 -8.200 26.804 -5.182 1.00 2.15 O ATOM 807 CB VAL A 53 -8.033 24.319 -6.867 1.00 1.77 C ATOM 808 CG1 VAL A 53 -9.019 24.781 -7.951 1.00 2.30 C ATOM 809 CG2 VAL A 53 -7.427 22.974 -7.317 1.00 2.26 C ATOM 0 H VAL A 53 -6.430 25.113 -4.582 1.00 1.66 H new ATOM 0 HA VAL A 53 -6.365 25.489 -7.525 1.00 1.77 H new ATOM 0 HB VAL A 53 -8.560 24.190 -5.921 1.00 1.77 H new ATOM 0 HG11 VAL A 53 -9.774 24.011 -8.109 1.00 2.30 H new ATOM 0 HG12 VAL A 53 -9.504 25.704 -7.633 1.00 2.30 H new ATOM 0 HG13 VAL A 53 -8.480 24.957 -8.882 1.00 2.30 H new ATOM 0 HG21 VAL A 53 -8.227 22.255 -7.494 1.00 2.26 H new ATOM 0 HG22 VAL A 53 -6.860 23.120 -8.237 1.00 2.26 H new ATOM 0 HG23 VAL A 53 -6.764 22.595 -6.539 1.00 2.26 H new ATOM 819 N GLU A 54 -7.300 27.791 -6.992 1.00 2.45 N ATOM 820 CA GLU A 54 -7.808 29.171 -6.783 1.00 2.79 C ATOM 821 C GLU A 54 -7.261 29.882 -5.519 1.00 2.82 C ATOM 822 O GLU A 54 -7.838 30.871 -5.069 1.00 3.10 O ATOM 823 CB GLU A 54 -9.350 29.220 -6.750 1.00 2.95 C ATOM 824 CG GLU A 54 -10.105 28.712 -7.981 1.00 3.08 C ATOM 825 CD GLU A 54 -11.563 28.531 -7.568 1.00 3.17 C ATOM 826 OE1 GLU A 54 -12.327 29.525 -7.573 1.00 4.13 O ATOM 827 OE2 GLU A 54 -11.878 27.465 -6.990 1.00 3.16 O ATOM 0 H GLU A 54 -6.713 27.718 -7.823 1.00 2.45 H new ATOM 0 HA GLU A 54 -7.430 29.716 -7.648 1.00 2.79 H new ATOM 0 HB2 GLU A 54 -9.685 28.642 -5.889 1.00 2.95 H new ATOM 0 HB3 GLU A 54 -9.649 30.254 -6.576 1.00 2.95 H new ATOM 0 HG2 GLU A 54 -10.023 29.422 -8.804 1.00 3.08 H new ATOM 0 HG3 GLU A 54 -9.683 27.769 -8.330 1.00 3.08 H new ATOM 834 N GLY A 55 -6.188 29.365 -4.910 1.00 2.58 N ATOM 835 CA GLY A 55 -5.751 29.772 -3.561 1.00 2.58 C ATOM 836 C GLY A 55 -6.481 29.016 -2.442 1.00 2.32 C ATOM 837 O GLY A 55 -6.591 29.500 -1.318 1.00 2.30 O ATOM 0 H GLY A 55 -5.595 28.652 -5.335 1.00 2.58 H new ATOM 0 HA2 GLY A 55 -4.678 29.604 -3.466 1.00 2.58 H new ATOM 0 HA3 GLY A 55 -5.918 30.842 -3.438 1.00 2.58 H new ATOM 841 N LYS A 56 -7.037 27.844 -2.768 1.00 2.15 N ATOM 842 CA LYS A 56 -7.793 26.976 -1.860 1.00 1.95 C ATOM 843 C LYS A 56 -7.158 25.574 -1.857 1.00 1.70 C ATOM 844 O LYS A 56 -7.180 24.853 -2.865 1.00 1.48 O ATOM 845 CB LYS A 56 -9.286 26.895 -2.263 1.00 2.06 C ATOM 846 CG LYS A 56 -9.947 28.226 -2.677 1.00 2.46 C ATOM 847 CD LYS A 56 -11.285 27.958 -3.384 1.00 2.49 C ATOM 848 CE LYS A 56 -11.822 29.244 -4.023 1.00 3.32 C ATOM 849 NZ LYS A 56 -12.911 28.942 -4.981 1.00 3.39 N ATOM 0 H LYS A 56 -6.969 27.459 -3.710 1.00 2.15 H new ATOM 0 HA LYS A 56 -7.752 27.400 -0.857 1.00 1.95 H new ATOM 0 HB2 LYS A 56 -9.381 26.192 -3.091 1.00 2.06 H new ATOM 0 HB3 LYS A 56 -9.846 26.479 -1.426 1.00 2.06 H new ATOM 0 HG2 LYS A 56 -10.111 28.848 -1.797 1.00 2.46 H new ATOM 0 HG3 LYS A 56 -9.282 28.780 -3.340 1.00 2.46 H new ATOM 0 HD2 LYS A 56 -11.152 27.193 -4.149 1.00 2.49 H new ATOM 0 HD3 LYS A 56 -12.010 27.570 -2.668 1.00 2.49 H new ATOM 0 HE2 LYS A 56 -12.190 29.914 -3.247 1.00 3.32 H new ATOM 0 HE3 LYS A 56 -11.014 29.765 -4.537 1.00 3.32 H new ATOM 0 HZ1 LYS A 56 -12.950 29.685 -5.708 1.00 3.39 H new ATOM 0 HZ2 LYS A 56 -12.730 28.024 -5.434 1.00 3.39 H new ATOM 0 HZ3 LYS A 56 -13.819 28.905 -4.475 1.00 3.39 H new ATOM 863 N LYS A 57 -6.586 25.171 -0.722 1.00 1.76 N ATOM 864 CA LYS A 57 -5.802 23.942 -0.636 1.00 1.64 C ATOM 865 C LYS A 57 -6.721 22.731 -0.444 1.00 1.56 C ATOM 866 O LYS A 57 -7.494 22.675 0.512 1.00 1.80 O ATOM 867 CB LYS A 57 -4.679 24.093 0.410 1.00 1.95 C ATOM 868 CG LYS A 57 -5.141 24.339 1.852 1.00 1.98 C ATOM 869 CD LYS A 57 -5.114 23.065 2.715 1.00 3.19 C ATOM 870 CE LYS A 57 -5.890 23.272 4.021 1.00 4.53 C ATOM 871 NZ LYS A 57 -5.347 24.400 4.817 1.00 5.73 N ATOM 0 H LYS A 57 -6.653 25.684 0.157 1.00 1.76 H new ATOM 0 HA LYS A 57 -5.286 23.753 -1.577 1.00 1.64 H new ATOM 0 HB2 LYS A 57 -4.068 23.190 0.393 1.00 1.95 H new ATOM 0 HB3 LYS A 57 -4.035 24.919 0.108 1.00 1.95 H new ATOM 0 HG2 LYS A 57 -4.502 25.095 2.309 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -6.154 24.742 1.840 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -5.547 22.234 2.158 1.00 3.19 H new ATOM 0 HD3 LYS A 57 -4.082 22.795 2.939 1.00 3.19 H new ATOM 0 HE2 LYS A 57 -6.939 23.461 3.793 1.00 4.53 H new ATOM 0 HE3 LYS A 57 -5.852 22.358 4.614 1.00 4.53 H new ATOM 0 HZ1 LYS A 57 -5.809 24.421 5.749 1.00 5.73 H new ATOM 0 HZ2 LYS A 57 -4.322 24.275 4.941 1.00 5.73 H new ATOM 0 HZ3 LYS A 57 -5.529 25.295 4.320 1.00 5.73 H new ATOM 885 N VAL A 58 -6.614 21.773 -1.351 1.00 1.32 N ATOM 886 CA VAL A 58 -7.371 20.526 -1.450 1.00 1.24 C ATOM 887 C VAL A 58 -6.425 19.320 -1.529 1.00 1.06 C ATOM 888 O VAL A 58 -5.200 19.475 -1.517 1.00 1.16 O ATOM 889 CB VAL A 58 -8.302 20.579 -2.685 1.00 1.28 C ATOM 890 CG1 VAL A 58 -9.424 21.613 -2.489 1.00 2.47 C ATOM 891 CG2 VAL A 58 -7.554 20.862 -4.003 1.00 2.60 C ATOM 0 H VAL A 58 -5.934 21.852 -2.107 1.00 1.32 H new ATOM 0 HA VAL A 58 -7.981 20.410 -0.554 1.00 1.24 H new ATOM 0 HB VAL A 58 -8.736 19.583 -2.771 1.00 1.28 H new ATOM 0 HG11 VAL A 58 -10.063 21.629 -3.372 1.00 2.47 H new ATOM 0 HG12 VAL A 58 -10.019 21.344 -1.616 1.00 2.47 H new ATOM 0 HG13 VAL A 58 -8.987 22.600 -2.340 1.00 2.47 H new ATOM 0 HG21 VAL A 58 -8.266 20.886 -4.828 1.00 2.60 H new ATOM 0 HG22 VAL A 58 -7.047 21.824 -3.934 1.00 2.60 H new ATOM 0 HG23 VAL A 58 -6.819 20.076 -4.180 1.00 2.60 H new ATOM 901 N MET A 59 -6.991 18.116 -1.618 1.00 0.93 N ATOM 902 CA MET A 59 -6.259 16.849 -1.681 1.00 0.75 C ATOM 903 C MET A 59 -6.788 15.938 -2.798 1.00 0.66 C ATOM 904 O MET A 59 -7.878 16.157 -3.326 1.00 0.97 O ATOM 905 CB MET A 59 -6.292 16.140 -0.315 1.00 0.85 C ATOM 906 CG MET A 59 -5.454 16.872 0.744 1.00 0.96 C ATOM 907 SD MET A 59 -6.289 18.184 1.680 1.00 2.57 S ATOM 908 CE MET A 59 -5.622 17.814 3.322 1.00 2.53 C ATOM 0 H MET A 59 -8.003 17.991 -1.649 1.00 0.93 H new ATOM 0 HA MET A 59 -5.221 17.075 -1.924 1.00 0.75 H new ATOM 0 HB2 MET A 59 -7.324 16.067 0.029 1.00 0.85 H new ATOM 0 HB3 MET A 59 -5.921 15.121 -0.428 1.00 0.85 H new ATOM 0 HG2 MET A 59 -5.081 16.133 1.453 1.00 0.96 H new ATOM 0 HG3 MET A 59 -4.585 17.307 0.250 1.00 0.96 H new ATOM 0 HE1 MET A 59 -6.024 18.523 4.046 1.00 2.53 H new ATOM 0 HE2 MET A 59 -5.905 16.802 3.610 1.00 2.53 H new ATOM 0 HE3 MET A 59 -4.535 17.895 3.300 1.00 2.53 H new ATOM 918 N GLY A 60 -5.981 14.942 -3.174 1.00 0.49 N ATOM 919 CA GLY A 60 -6.202 14.052 -4.318 1.00 0.54 C ATOM 920 C GLY A 60 -5.508 12.697 -4.184 1.00 0.54 C ATOM 921 O GLY A 60 -4.912 12.379 -3.159 1.00 0.64 O ATOM 0 H GLY A 60 -5.121 14.725 -2.670 1.00 0.49 H new ATOM 0 HA2 GLY A 60 -7.273 13.891 -4.441 1.00 0.54 H new ATOM 0 HA3 GLY A 60 -5.848 14.544 -5.224 1.00 0.54 H new ATOM 925 N MET A 61 -5.616 11.876 -5.226 1.00 0.52 N ATOM 926 CA MET A 61 -5.025 10.541 -5.340 1.00 0.53 C ATOM 927 C MET A 61 -4.742 10.248 -6.820 1.00 0.50 C ATOM 928 O MET A 61 -5.487 10.701 -7.689 1.00 0.54 O ATOM 929 CB MET A 61 -6.026 9.543 -4.728 1.00 0.63 C ATOM 930 CG MET A 61 -5.699 8.063 -4.950 1.00 0.55 C ATOM 931 SD MET A 61 -7.049 6.855 -4.696 1.00 0.60 S ATOM 932 CE MET A 61 -8.012 7.601 -3.353 1.00 0.88 C ATOM 0 H MET A 61 -6.145 12.136 -6.058 1.00 0.52 H new ATOM 0 HA MET A 61 -4.078 10.462 -4.807 1.00 0.53 H new ATOM 0 HB2 MET A 61 -6.086 9.727 -3.655 1.00 0.63 H new ATOM 0 HB3 MET A 61 -7.014 9.745 -5.142 1.00 0.63 H new ATOM 0 HG2 MET A 61 -5.332 7.948 -5.970 1.00 0.55 H new ATOM 0 HG3 MET A 61 -4.878 7.796 -4.284 1.00 0.55 H new ATOM 0 HE1 MET A 61 -8.772 6.896 -3.015 1.00 0.88 H new ATOM 0 HE2 MET A 61 -7.349 7.846 -2.523 1.00 0.88 H new ATOM 0 HE3 MET A 61 -8.495 8.510 -3.713 1.00 0.88 H new ATOM 942 N ARG A 62 -3.690 9.476 -7.108 1.00 0.54 N ATOM 943 CA ARG A 62 -3.324 9.030 -8.464 1.00 0.64 C ATOM 944 C ARG A 62 -2.432 7.776 -8.414 1.00 0.55 C ATOM 945 O ARG A 62 -1.786 7.562 -7.384 1.00 0.51 O ATOM 946 CB ARG A 62 -2.652 10.175 -9.257 1.00 0.84 C ATOM 947 CG ARG A 62 -1.321 10.643 -8.652 1.00 1.64 C ATOM 948 CD ARG A 62 -0.669 11.765 -9.466 1.00 1.96 C ATOM 949 NE ARG A 62 0.555 12.216 -8.792 1.00 3.39 N ATOM 950 CZ ARG A 62 1.802 12.248 -9.226 1.00 4.49 C ATOM 951 NH1 ARG A 62 2.130 12.085 -10.494 1.00 4.44 N ATOM 952 NH2 ARG A 62 2.750 12.437 -8.343 1.00 5.86 N ATOM 0 H ARG A 62 -3.051 9.133 -6.390 1.00 0.54 H new ATOM 0 HA ARG A 62 -4.239 8.757 -8.990 1.00 0.64 H new ATOM 0 HB2 ARG A 62 -2.480 9.844 -10.281 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -3.337 11.022 -9.307 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -1.491 10.990 -7.633 1.00 1.64 H new ATOM 0 HG3 ARG A 62 -0.636 9.797 -8.591 1.00 1.64 H new ATOM 0 HD2 ARG A 62 -0.434 11.410 -10.470 1.00 1.96 H new ATOM 0 HD3 ARG A 62 -1.363 12.598 -9.577 1.00 1.96 H new ATOM 0 HE ARG A 62 0.421 12.558 -7.840 1.00 3.39 H new ATOM 0 HH11 ARG A 62 1.404 11.925 -11.192 1.00 4.44 H new ATOM 0 HH12 ARG A 62 3.110 12.119 -10.776 1.00 4.44 H new ATOM 0 HH21 ARG A 62 2.513 12.553 -7.358 1.00 5.86 H new ATOM 0 HH22 ARG A 62 3.725 12.468 -8.640 1.00 5.86 H new ATOM 966 N PRO A 63 -2.369 6.962 -9.487 1.00 0.57 N ATOM 967 CA PRO A 63 -1.418 5.867 -9.568 1.00 0.51 C ATOM 968 C PRO A 63 0.008 6.372 -9.801 1.00 0.52 C ATOM 969 O PRO A 63 0.204 7.458 -10.344 1.00 0.58 O ATOM 970 CB PRO A 63 -1.914 4.969 -10.698 1.00 0.52 C ATOM 971 CG PRO A 63 -2.588 5.964 -11.643 1.00 0.61 C ATOM 972 CD PRO A 63 -3.206 6.983 -10.681 1.00 0.67 C ATOM 0 HA PRO A 63 -1.364 5.312 -8.631 1.00 0.51 H new ATOM 0 HB2 PRO A 63 -1.095 4.439 -11.184 1.00 0.52 H new ATOM 0 HB3 PRO A 63 -2.613 4.214 -10.339 1.00 0.52 H new ATOM 0 HG2 PRO A 63 -1.870 6.430 -12.319 1.00 0.61 H new ATOM 0 HG3 PRO A 63 -3.344 5.483 -12.263 1.00 0.61 H new ATOM 0 HD2 PRO A 63 -3.227 7.978 -11.126 1.00 0.67 H new ATOM 0 HD3 PRO A 63 -4.236 6.719 -10.441 1.00 0.67 H new ATOM 980 N VAL A 64 0.984 5.562 -9.381 1.00 0.51 N ATOM 981 CA VAL A 64 2.433 5.829 -9.456 1.00 0.52 C ATOM 982 C VAL A 64 3.184 4.558 -9.912 1.00 0.49 C ATOM 983 O VAL A 64 2.633 3.465 -9.762 1.00 0.49 O ATOM 984 CB VAL A 64 2.983 6.361 -8.107 1.00 0.56 C ATOM 985 CG1 VAL A 64 2.361 7.719 -7.753 1.00 0.76 C ATOM 986 CG2 VAL A 64 2.800 5.380 -6.939 1.00 0.60 C ATOM 0 H VAL A 64 0.781 4.656 -8.958 1.00 0.51 H new ATOM 0 HA VAL A 64 2.601 6.611 -10.197 1.00 0.52 H new ATOM 0 HB VAL A 64 4.056 6.479 -8.255 1.00 0.56 H new ATOM 0 HG11 VAL A 64 2.765 8.068 -6.803 1.00 0.76 H new ATOM 0 HG12 VAL A 64 2.596 8.442 -8.534 1.00 0.76 H new ATOM 0 HG13 VAL A 64 1.279 7.613 -7.671 1.00 0.76 H new ATOM 0 HG21 VAL A 64 3.208 5.819 -6.028 1.00 0.60 H new ATOM 0 HG22 VAL A 64 1.739 5.175 -6.799 1.00 0.60 H new ATOM 0 HG23 VAL A 64 3.324 4.450 -7.160 1.00 0.60 H new ATOM 996 N PRO A 65 4.397 4.663 -10.499 1.00 0.52 N ATOM 997 CA PRO A 65 5.046 3.550 -11.194 1.00 0.53 C ATOM 998 C PRO A 65 5.759 2.580 -10.252 1.00 0.49 C ATOM 999 O PRO A 65 5.888 1.408 -10.595 1.00 0.51 O ATOM 1000 CB PRO A 65 6.015 4.211 -12.176 1.00 0.60 C ATOM 1001 CG PRO A 65 6.443 5.479 -11.444 1.00 0.61 C ATOM 1002 CD PRO A 65 5.187 5.877 -10.670 1.00 0.57 C ATOM 0 HA PRO A 65 4.309 2.924 -11.698 1.00 0.53 H new ATOM 0 HB2 PRO A 65 6.866 3.567 -12.397 1.00 0.60 H new ATOM 0 HB3 PRO A 65 5.532 4.438 -13.126 1.00 0.60 H new ATOM 0 HG2 PRO A 65 7.285 5.294 -10.777 1.00 0.61 H new ATOM 0 HG3 PRO A 65 6.752 6.260 -12.139 1.00 0.61 H new ATOM 0 HD2 PRO A 65 5.448 6.308 -9.703 1.00 0.57 H new ATOM 0 HD3 PRO A 65 4.621 6.634 -11.214 1.00 0.57 H new ATOM 1010 N PHE A 66 6.201 3.053 -9.081 1.00 0.46 N ATOM 1011 CA PHE A 66 6.941 2.282 -8.075 1.00 0.43 C ATOM 1012 C PHE A 66 7.186 3.113 -6.807 1.00 0.46 C ATOM 1013 O PHE A 66 7.098 4.342 -6.831 1.00 0.52 O ATOM 1014 CB PHE A 66 8.273 1.759 -8.646 1.00 0.46 C ATOM 1015 CG PHE A 66 9.243 2.847 -8.999 1.00 0.52 C ATOM 1016 CD1 PHE A 66 10.067 3.382 -8.000 1.00 1.98 C ATOM 1017 CD2 PHE A 66 9.268 3.354 -10.302 1.00 1.75 C ATOM 1018 CE1 PHE A 66 10.904 4.468 -8.284 1.00 2.10 C ATOM 1019 CE2 PHE A 66 10.134 4.423 -10.606 1.00 1.69 C ATOM 1020 CZ PHE A 66 10.946 4.982 -9.596 1.00 0.73 C ATOM 0 H PHE A 66 6.047 4.021 -8.797 1.00 0.46 H new ATOM 0 HA PHE A 66 6.327 1.423 -7.803 1.00 0.43 H new ATOM 0 HB2 PHE A 66 8.735 1.094 -7.916 1.00 0.46 H new ATOM 0 HB3 PHE A 66 8.068 1.163 -9.536 1.00 0.46 H new ATOM 0 HD1 PHE A 66 10.057 2.955 -7.008 1.00 1.98 H new ATOM 0 HD2 PHE A 66 8.632 2.932 -11.066 1.00 1.75 H new ATOM 0 HE1 PHE A 66 11.511 4.907 -7.506 1.00 2.10 H new ATOM 0 HE2 PHE A 66 10.176 4.815 -11.612 1.00 1.69 H new ATOM 0 HZ PHE A 66 11.602 5.807 -9.829 1.00 0.73 H new ATOM 1030 N LEU A 67 7.560 2.428 -5.723 1.00 0.48 N ATOM 1031 CA LEU A 67 8.145 2.999 -4.503 1.00 0.60 C ATOM 1032 C LEU A 67 9.594 2.536 -4.348 1.00 0.64 C ATOM 1033 O LEU A 67 9.941 1.451 -4.808 1.00 0.60 O ATOM 1034 CB LEU A 67 7.362 2.545 -3.257 1.00 0.70 C ATOM 1035 CG LEU A 67 5.851 2.828 -3.242 1.00 0.66 C ATOM 1036 CD1 LEU A 67 5.328 2.635 -1.820 1.00 0.73 C ATOM 1037 CD2 LEU A 67 5.461 4.232 -3.704 1.00 0.63 C ATOM 0 H LEU A 67 7.459 1.414 -5.668 1.00 0.48 H new ATOM 0 HA LEU A 67 8.100 4.085 -4.591 1.00 0.60 H new ATOM 0 HB2 LEU A 67 7.507 1.471 -3.138 1.00 0.70 H new ATOM 0 HB3 LEU A 67 7.805 3.025 -2.385 1.00 0.70 H new ATOM 0 HG LEU A 67 5.409 2.130 -3.953 1.00 0.66 H new ATOM 0 HD11 LEU A 67 4.256 2.833 -1.796 1.00 0.73 H new ATOM 0 HD12 LEU A 67 5.515 1.610 -1.500 1.00 0.73 H new ATOM 0 HD13 LEU A 67 5.839 3.324 -1.148 1.00 0.73 H new ATOM 0 HD21 LEU A 67 4.377 4.341 -3.661 1.00 0.63 H new ATOM 0 HD22 LEU A 67 5.927 4.972 -3.053 1.00 0.63 H new ATOM 0 HD23 LEU A 67 5.800 4.385 -4.728 1.00 0.63 H new ATOM 1049 N GLU A 68 10.426 3.311 -3.660 1.00 0.76 N ATOM 1050 CA GLU A 68 11.844 3.001 -3.471 1.00 0.77 C ATOM 1051 C GLU A 68 12.291 3.246 -2.036 1.00 0.69 C ATOM 1052 O GLU A 68 11.778 4.147 -1.373 1.00 0.74 O ATOM 1053 CB GLU A 68 12.673 3.816 -4.466 1.00 0.93 C ATOM 1054 CG GLU A 68 14.187 3.655 -4.244 1.00 0.92 C ATOM 1055 CD GLU A 68 14.995 3.925 -5.516 1.00 0.97 C ATOM 1056 OE1 GLU A 68 14.424 4.437 -6.503 1.00 2.26 O ATOM 1057 OE2 GLU A 68 16.163 3.481 -5.574 1.00 1.65 O ATOM 0 H GLU A 68 10.135 4.180 -3.213 1.00 0.76 H new ATOM 0 HA GLU A 68 12.001 1.939 -3.662 1.00 0.77 H new ATOM 0 HB2 GLU A 68 12.423 3.507 -5.481 1.00 0.93 H new ATOM 0 HB3 GLU A 68 12.406 4.869 -4.379 1.00 0.93 H new ATOM 0 HG2 GLU A 68 14.511 4.338 -3.459 1.00 0.92 H new ATOM 0 HG3 GLU A 68 14.395 2.644 -3.893 1.00 0.92 H new ATOM 1064 N VAL A 69 13.258 2.439 -1.577 1.00 0.67 N ATOM 1065 CA VAL A 69 13.815 2.511 -0.229 1.00 0.70 C ATOM 1066 C VAL A 69 15.334 2.264 -0.209 1.00 0.72 C ATOM 1067 O VAL A 69 15.791 1.270 -0.775 1.00 0.73 O ATOM 1068 CB VAL A 69 13.078 1.510 0.712 1.00 0.70 C ATOM 1069 CG1 VAL A 69 13.617 1.495 2.154 1.00 0.79 C ATOM 1070 CG2 VAL A 69 11.579 1.857 0.825 1.00 0.83 C ATOM 0 H VAL A 69 13.679 1.706 -2.147 1.00 0.67 H new ATOM 0 HA VAL A 69 13.657 3.526 0.136 1.00 0.70 H new ATOM 0 HB VAL A 69 13.247 0.537 0.251 1.00 0.70 H new ATOM 0 HG11 VAL A 69 13.053 0.774 2.746 1.00 0.79 H new ATOM 0 HG12 VAL A 69 14.670 1.213 2.146 1.00 0.79 H new ATOM 0 HG13 VAL A 69 13.510 2.487 2.593 1.00 0.79 H new ATOM 0 HG21 VAL A 69 11.089 1.143 1.487 1.00 0.83 H new ATOM 0 HG22 VAL A 69 11.468 2.863 1.230 1.00 0.83 H new ATOM 0 HG23 VAL A 69 11.119 1.811 -0.162 1.00 0.83 H new ATOM 1080 N PRO A 70 16.130 3.119 0.471 1.00 0.78 N ATOM 1081 CA PRO A 70 17.575 2.943 0.616 1.00 0.84 C ATOM 1082 C PRO A 70 17.915 1.752 1.534 1.00 0.84 C ATOM 1083 O PRO A 70 17.055 1.311 2.299 1.00 0.86 O ATOM 1084 CB PRO A 70 18.088 4.268 1.191 1.00 0.92 C ATOM 1085 CG PRO A 70 16.902 4.777 2.004 1.00 0.90 C ATOM 1086 CD PRO A 70 15.710 4.336 1.160 1.00 0.84 C ATOM 0 HA PRO A 70 18.048 2.711 -0.338 1.00 0.84 H new ATOM 0 HB2 PRO A 70 18.970 4.122 1.814 1.00 0.92 H new ATOM 0 HB3 PRO A 70 18.366 4.968 0.403 1.00 0.92 H new ATOM 0 HG2 PRO A 70 16.877 4.340 3.002 1.00 0.90 H new ATOM 0 HG3 PRO A 70 16.931 5.859 2.131 1.00 0.90 H new ATOM 0 HD2 PRO A 70 14.838 4.148 1.786 1.00 0.84 H new ATOM 0 HD3 PRO A 70 15.430 5.111 0.446 1.00 0.84 H new ATOM 1094 N PRO A 71 19.154 1.228 1.485 1.00 0.86 N ATOM 1095 CA PRO A 71 19.580 0.085 2.287 1.00 0.84 C ATOM 1096 C PRO A 71 19.365 0.279 3.788 1.00 0.88 C ATOM 1097 O PRO A 71 19.555 1.378 4.307 1.00 0.97 O ATOM 1098 CB PRO A 71 21.040 -0.162 1.926 1.00 0.93 C ATOM 1099 CG PRO A 71 21.505 1.086 1.185 1.00 0.98 C ATOM 1100 CD PRO A 71 20.224 1.658 0.599 1.00 0.92 C ATOM 0 HA PRO A 71 18.967 -0.787 2.059 1.00 0.84 H new ATOM 0 HB2 PRO A 71 21.640 -0.331 2.820 1.00 0.93 H new ATOM 0 HB3 PRO A 71 21.143 -1.049 1.300 1.00 0.93 H new ATOM 0 HG2 PRO A 71 21.988 1.794 1.858 1.00 0.98 H new ATOM 0 HG3 PRO A 71 22.228 0.843 0.406 1.00 0.98 H new ATOM 0 HD2 PRO A 71 20.272 2.746 0.543 1.00 0.92 H new ATOM 0 HD3 PRO A 71 20.062 1.293 -0.415 1.00 0.92 H new ATOM 1108 N LYS A 72 18.942 -0.797 4.469 1.00 0.92 N ATOM 1109 CA LYS A 72 18.723 -0.883 5.927 1.00 1.07 C ATOM 1110 C LYS A 72 17.561 -0.018 6.452 1.00 1.15 C ATOM 1111 O LYS A 72 17.325 0.044 7.658 1.00 1.32 O ATOM 1112 CB LYS A 72 20.042 -0.623 6.682 1.00 1.21 C ATOM 1113 CG LYS A 72 21.183 -1.547 6.234 1.00 1.34 C ATOM 1114 CD LYS A 72 21.017 -2.992 6.743 1.00 1.38 C ATOM 1115 CE LYS A 72 21.862 -4.005 5.961 1.00 1.72 C ATOM 1116 NZ LYS A 72 23.320 -3.787 6.076 1.00 1.75 N ATOM 0 H LYS A 72 18.732 -1.677 3.997 1.00 0.92 H new ATOM 0 HA LYS A 72 18.400 -1.904 6.130 1.00 1.07 H new ATOM 0 HB2 LYS A 72 20.342 0.414 6.532 1.00 1.21 H new ATOM 0 HB3 LYS A 72 19.874 -0.754 7.751 1.00 1.21 H new ATOM 0 HG2 LYS A 72 21.232 -1.554 5.145 1.00 1.34 H new ATOM 0 HG3 LYS A 72 22.131 -1.147 6.594 1.00 1.34 H new ATOM 0 HD2 LYS A 72 21.293 -3.034 7.797 1.00 1.38 H new ATOM 0 HD3 LYS A 72 19.967 -3.276 6.677 1.00 1.38 H new ATOM 0 HE2 LYS A 72 21.626 -5.009 6.314 1.00 1.72 H new ATOM 0 HE3 LYS A 72 21.580 -3.963 4.909 1.00 1.72 H new ATOM 0 HZ1 LYS A 72 23.826 -4.591 5.652 1.00 1.75 H new ATOM 0 HZ2 LYS A 72 23.581 -2.912 5.578 1.00 1.75 H new ATOM 0 HZ3 LYS A 72 23.581 -3.704 7.079 1.00 1.75 H new ATOM 1130 N GLY A 73 16.840 0.664 5.560 1.00 1.11 N ATOM 1131 CA GLY A 73 15.709 1.550 5.865 1.00 1.20 C ATOM 1132 C GLY A 73 14.351 0.838 5.932 1.00 1.14 C ATOM 1133 O GLY A 73 14.168 -0.229 5.355 1.00 1.06 O ATOM 0 H GLY A 73 17.035 0.613 4.560 1.00 1.11 H new ATOM 0 HA2 GLY A 73 15.895 2.043 6.819 1.00 1.20 H new ATOM 0 HA3 GLY A 73 15.660 2.331 5.107 1.00 1.20 H new ATOM 1137 N ARG A 74 13.367 1.468 6.585 1.00 1.32 N ATOM 1138 CA ARG A 74 11.953 1.059 6.551 1.00 1.27 C ATOM 1139 C ARG A 74 11.031 2.283 6.552 1.00 1.69 C ATOM 1140 O ARG A 74 11.348 3.271 7.210 1.00 2.32 O ATOM 1141 CB ARG A 74 11.637 0.052 7.683 1.00 1.91 C ATOM 1142 CG ARG A 74 11.840 0.504 9.151 1.00 1.88 C ATOM 1143 CD ARG A 74 10.911 1.628 9.601 1.00 1.64 C ATOM 1144 NE ARG A 74 10.418 1.523 10.990 1.00 2.38 N ATOM 1145 CZ ARG A 74 9.217 1.939 11.391 1.00 3.19 C ATOM 1146 NH1 ARG A 74 8.352 2.466 10.545 1.00 3.66 N ATOM 1147 NH2 ARG A 74 8.856 1.826 12.653 1.00 4.16 N ATOM 0 H ARG A 74 13.532 2.292 7.163 1.00 1.32 H new ATOM 0 HA ARG A 74 11.762 0.532 5.616 1.00 1.27 H new ATOM 0 HB2 ARG A 74 10.598 -0.257 7.572 1.00 1.91 H new ATOM 0 HB3 ARG A 74 12.252 -0.833 7.521 1.00 1.91 H new ATOM 0 HG2 ARG A 74 11.694 -0.355 9.806 1.00 1.88 H new ATOM 0 HG3 ARG A 74 12.872 0.830 9.278 1.00 1.88 H new ATOM 0 HD2 ARG A 74 11.436 2.577 9.490 1.00 1.64 H new ATOM 0 HD3 ARG A 74 10.053 1.658 8.930 1.00 1.64 H new ATOM 0 HE ARG A 74 11.036 1.106 11.686 1.00 2.38 H new ATOM 0 HH11 ARG A 74 8.597 2.562 9.559 1.00 3.66 H new ATOM 0 HH12 ARG A 74 7.439 2.777 10.877 1.00 3.66 H new ATOM 0 HH21 ARG A 74 9.498 1.417 13.332 1.00 4.16 H new ATOM 0 HH22 ARG A 74 7.935 2.147 12.951 1.00 4.16 H new ATOM 1161 N VAL A 75 9.883 2.222 5.875 1.00 1.73 N ATOM 1162 CA VAL A 75 8.865 3.305 5.801 1.00 2.53 C ATOM 1163 C VAL A 75 7.506 2.678 5.479 1.00 1.95 C ATOM 1164 O VAL A 75 7.434 1.862 4.568 1.00 1.70 O ATOM 1165 CB VAL A 75 9.183 4.365 4.702 1.00 3.48 C ATOM 1166 CG1 VAL A 75 8.133 5.493 4.708 1.00 4.46 C ATOM 1167 CG2 VAL A 75 10.567 5.025 4.836 1.00 4.08 C ATOM 0 H VAL A 75 9.615 1.396 5.341 1.00 1.73 H new ATOM 0 HA VAL A 75 8.865 3.815 6.765 1.00 2.53 H new ATOM 0 HB VAL A 75 9.167 3.801 3.769 1.00 3.48 H new ATOM 0 HG11 VAL A 75 8.376 6.220 3.933 1.00 4.46 H new ATOM 0 HG12 VAL A 75 7.146 5.073 4.515 1.00 4.46 H new ATOM 0 HG13 VAL A 75 8.133 5.985 5.681 1.00 4.46 H new ATOM 0 HG21 VAL A 75 10.705 5.748 4.032 1.00 4.08 H new ATOM 0 HG22 VAL A 75 10.636 5.534 5.797 1.00 4.08 H new ATOM 0 HG23 VAL A 75 11.342 4.261 4.774 1.00 4.08 H new ATOM 1177 N GLU A 76 6.424 3.027 6.179 1.00 2.09 N ATOM 1178 CA GLU A 76 5.093 2.498 5.847 1.00 1.60 C ATOM 1179 C GLU A 76 4.447 3.302 4.720 1.00 1.32 C ATOM 1180 O GLU A 76 4.562 4.529 4.714 1.00 1.60 O ATOM 1181 CB GLU A 76 4.150 2.412 7.061 1.00 2.11 C ATOM 1182 CG GLU A 76 4.844 2.148 8.406 1.00 2.83 C ATOM 1183 CD GLU A 76 5.363 3.413 9.097 1.00 2.72 C ATOM 1184 OE1 GLU A 76 5.475 4.475 8.431 1.00 2.65 O ATOM 1185 OE2 GLU A 76 5.744 3.282 10.284 1.00 3.74 O ATOM 0 H GLU A 76 6.439 3.667 6.973 1.00 2.09 H new ATOM 0 HA GLU A 76 5.253 1.475 5.506 1.00 1.60 H new ATOM 0 HB2 GLU A 76 3.591 3.345 7.135 1.00 2.11 H new ATOM 0 HB3 GLU A 76 3.424 1.619 6.882 1.00 2.11 H new ATOM 0 HG2 GLU A 76 4.144 1.644 9.072 1.00 2.83 H new ATOM 0 HG3 GLU A 76 5.679 1.466 8.245 1.00 2.83 H new ATOM 1192 N LEU A 77 3.738 2.620 3.810 1.00 0.89 N ATOM 1193 CA LEU A 77 3.096 3.210 2.627 1.00 0.66 C ATOM 1194 C LEU A 77 2.320 4.485 2.971 1.00 1.13 C ATOM 1195 O LEU A 77 2.505 5.489 2.295 1.00 2.94 O ATOM 1196 CB LEU A 77 2.195 2.148 1.954 1.00 0.63 C ATOM 1197 CG LEU A 77 2.822 1.533 0.695 1.00 0.71 C ATOM 1198 CD1 LEU A 77 4.003 0.619 1.017 1.00 0.71 C ATOM 1199 CD2 LEU A 77 1.767 0.789 -0.120 1.00 1.04 C ATOM 0 H LEU A 77 3.591 1.613 3.879 1.00 0.89 H new ATOM 0 HA LEU A 77 3.870 3.513 1.922 1.00 0.66 H new ATOM 0 HB2 LEU A 77 1.982 1.355 2.671 1.00 0.63 H new ATOM 0 HB3 LEU A 77 1.241 2.604 1.691 1.00 0.63 H new ATOM 0 HG LEU A 77 3.214 2.356 0.098 1.00 0.71 H new ATOM 0 HD11 LEU A 77 4.410 0.210 0.092 1.00 0.71 H new ATOM 0 HD12 LEU A 77 4.776 1.190 1.532 1.00 0.71 H new ATOM 0 HD13 LEU A 77 3.668 -0.197 1.657 1.00 0.71 H new ATOM 0 HD21 LEU A 77 2.230 0.360 -1.009 1.00 1.04 H new ATOM 0 HD22 LEU A 77 1.335 -0.008 0.485 1.00 1.04 H new ATOM 0 HD23 LEU A 77 0.982 1.483 -0.419 1.00 1.04 H new ATOM 1211 N LYS A 78 1.570 4.452 4.080 1.00 1.21 N ATOM 1212 CA LYS A 78 1.091 5.588 4.885 1.00 1.11 C ATOM 1213 C LYS A 78 -0.430 5.795 4.702 1.00 1.18 C ATOM 1214 O LYS A 78 -0.889 5.954 3.566 1.00 1.39 O ATOM 1215 CB LYS A 78 1.877 6.894 4.595 1.00 1.45 C ATOM 1216 CG LYS A 78 1.770 8.025 5.617 1.00 1.86 C ATOM 1217 CD LYS A 78 2.587 7.794 6.910 1.00 3.06 C ATOM 1218 CE LYS A 78 4.120 7.797 6.729 1.00 3.09 C ATOM 1219 NZ LYS A 78 4.736 6.442 6.673 1.00 3.84 N ATOM 0 H LYS A 78 1.257 3.563 4.470 1.00 1.21 H new ATOM 0 HA LYS A 78 1.277 5.338 5.929 1.00 1.11 H new ATOM 0 HB2 LYS A 78 2.931 6.636 4.489 1.00 1.45 H new ATOM 0 HB3 LYS A 78 1.545 7.279 3.631 1.00 1.45 H new ATOM 0 HG2 LYS A 78 2.103 8.952 5.151 1.00 1.86 H new ATOM 0 HG3 LYS A 78 0.722 8.161 5.883 1.00 1.86 H new ATOM 0 HD2 LYS A 78 2.321 8.567 7.631 1.00 3.06 H new ATOM 0 HD3 LYS A 78 2.290 6.838 7.342 1.00 3.06 H new ATOM 0 HE2 LYS A 78 4.364 8.332 5.811 1.00 3.09 H new ATOM 0 HE3 LYS A 78 4.570 8.353 7.551 1.00 3.09 H new ATOM 0 HZ1 LYS A 78 5.757 6.532 6.500 1.00 3.84 H new ATOM 0 HZ2 LYS A 78 4.580 5.952 7.577 1.00 3.84 H new ATOM 0 HZ3 LYS A 78 4.301 5.895 5.903 1.00 3.84 H new ATOM 1233 N PRO A 79 -1.222 5.884 5.791 1.00 1.29 N ATOM 1234 CA PRO A 79 -2.581 6.392 5.693 1.00 1.44 C ATOM 1235 C PRO A 79 -2.499 7.821 5.156 1.00 1.32 C ATOM 1236 O PRO A 79 -1.888 8.682 5.784 1.00 2.70 O ATOM 1237 CB PRO A 79 -3.174 6.300 7.101 1.00 1.73 C ATOM 1238 CG PRO A 79 -1.942 6.414 7.998 1.00 1.63 C ATOM 1239 CD PRO A 79 -0.860 5.700 7.193 1.00 1.46 C ATOM 0 HA PRO A 79 -3.223 5.831 5.014 1.00 1.44 H new ATOM 0 HB2 PRO A 79 -3.888 7.101 7.292 1.00 1.73 H new ATOM 0 HB3 PRO A 79 -3.701 5.359 7.257 1.00 1.73 H new ATOM 0 HG2 PRO A 79 -1.680 7.454 8.192 1.00 1.63 H new ATOM 0 HG3 PRO A 79 -2.103 5.940 8.966 1.00 1.63 H new ATOM 0 HD2 PRO A 79 0.124 6.120 7.401 1.00 1.46 H new ATOM 0 HD3 PRO A 79 -0.816 4.642 7.450 1.00 1.46 H new ATOM 1247 N GLY A 80 -3.058 8.044 3.966 1.00 1.93 N ATOM 1248 CA GLY A 80 -3.083 9.360 3.336 1.00 2.01 C ATOM 1249 C GLY A 80 -1.790 9.813 2.649 1.00 1.45 C ATOM 1250 O GLY A 80 -1.626 11.020 2.513 1.00 1.80 O ATOM 0 H GLY A 80 -3.507 7.314 3.413 1.00 1.93 H new ATOM 0 HA2 GLY A 80 -3.884 9.369 2.597 1.00 2.01 H new ATOM 0 HA3 GLY A 80 -3.342 10.097 4.096 1.00 2.01 H new ATOM 1254 N GLY A 81 -0.905 8.914 2.172 1.00 1.00 N ATOM 1255 CA GLY A 81 0.184 9.345 1.264 1.00 0.70 C ATOM 1256 C GLY A 81 0.662 8.399 0.178 1.00 0.71 C ATOM 1257 O GLY A 81 0.822 8.816 -0.957 1.00 1.79 O ATOM 0 H GLY A 81 -0.917 7.917 2.389 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -0.139 10.265 0.778 1.00 0.70 H new ATOM 0 HA3 GLY A 81 1.046 9.597 1.882 1.00 0.70 H new ATOM 1261 N TYR A 82 0.824 7.124 0.486 1.00 0.73 N ATOM 1262 CA TYR A 82 0.873 6.035 -0.492 1.00 0.70 C ATOM 1263 C TYR A 82 0.063 4.839 -0.009 1.00 0.73 C ATOM 1264 O TYR A 82 -0.073 4.566 1.179 1.00 0.86 O ATOM 1265 CB TYR A 82 2.297 5.606 -0.875 1.00 0.78 C ATOM 1266 CG TYR A 82 3.084 6.667 -1.597 1.00 0.76 C ATOM 1267 CD1 TYR A 82 3.804 7.636 -0.874 1.00 1.69 C ATOM 1268 CD2 TYR A 82 3.072 6.700 -2.999 1.00 1.92 C ATOM 1269 CE1 TYR A 82 4.484 8.661 -1.553 1.00 1.75 C ATOM 1270 CE2 TYR A 82 3.771 7.706 -3.681 1.00 1.91 C ATOM 1271 CZ TYR A 82 4.464 8.706 -2.965 1.00 0.83 C ATOM 1272 OH TYR A 82 5.084 9.718 -3.636 1.00 0.93 O ATOM 0 H TYR A 82 0.929 6.802 1.448 1.00 0.73 H new ATOM 0 HA TYR A 82 0.425 6.432 -1.403 1.00 0.70 H new ATOM 0 HB2 TYR A 82 2.835 5.322 0.029 1.00 0.78 H new ATOM 0 HB3 TYR A 82 2.241 4.718 -1.505 1.00 0.78 H new ATOM 0 HD1 TYR A 82 3.834 7.592 0.205 1.00 1.69 H new ATOM 0 HD2 TYR A 82 2.525 5.951 -3.553 1.00 1.92 H new ATOM 0 HE1 TYR A 82 5.022 9.414 -0.996 1.00 1.75 H new ATOM 0 HE2 TYR A 82 3.779 7.716 -4.761 1.00 1.91 H new ATOM 0 HH TYR A 82 4.970 9.589 -4.601 1.00 0.93 H new ATOM 1282 N HIS A 83 -0.552 4.140 -0.946 1.00 0.68 N ATOM 1283 CA HIS A 83 -1.380 2.974 -0.667 1.00 0.68 C ATOM 1284 C HIS A 83 -1.530 2.144 -1.940 1.00 0.60 C ATOM 1285 O HIS A 83 -1.522 2.692 -3.041 1.00 0.59 O ATOM 1286 CB HIS A 83 -2.731 3.408 -0.077 1.00 0.73 C ATOM 1287 CG HIS A 83 -3.523 4.299 -0.984 1.00 0.64 C ATOM 1288 ND1 HIS A 83 -3.307 5.641 -1.214 1.00 0.59 N ATOM 1289 CD2 HIS A 83 -4.500 3.885 -1.842 1.00 0.62 C ATOM 1290 CE1 HIS A 83 -4.104 6.017 -2.222 1.00 0.53 C ATOM 1291 NE2 HIS A 83 -4.862 4.981 -2.618 1.00 0.56 N ATOM 0 H HIS A 83 -0.491 4.368 -1.938 1.00 0.68 H new ATOM 0 HA HIS A 83 -0.902 2.344 0.083 1.00 0.68 H new ATOM 0 HB2 HIS A 83 -3.320 2.520 0.151 1.00 0.73 H new ATOM 0 HB3 HIS A 83 -2.557 3.926 0.866 1.00 0.73 H new ATOM 0 HD2 HIS A 83 -4.915 2.890 -1.907 1.00 0.62 H new ATOM 0 HE1 HIS A 83 -4.133 7.007 -2.653 1.00 0.53 H new ATOM 0 HE2 HIS A 83 -5.571 4.995 -3.351 1.00 0.56 H new ATOM 1299 N PHE A 84 -1.750 0.839 -1.811 1.00 0.58 N ATOM 1300 CA PHE A 84 -2.279 0.074 -2.938 1.00 0.59 C ATOM 1301 C PHE A 84 -3.788 0.318 -3.036 1.00 0.58 C ATOM 1302 O PHE A 84 -4.442 0.514 -2.014 1.00 0.64 O ATOM 1303 CB PHE A 84 -2.020 -1.419 -2.742 1.00 0.70 C ATOM 1304 CG PHE A 84 -0.556 -1.749 -2.803 1.00 0.68 C ATOM 1305 CD1 PHE A 84 0.077 -1.872 -4.052 1.00 2.27 C ATOM 1306 CD2 PHE A 84 0.184 -1.846 -1.614 1.00 2.02 C ATOM 1307 CE1 PHE A 84 1.460 -2.111 -4.109 1.00 2.19 C ATOM 1308 CE2 PHE A 84 1.566 -2.058 -1.676 1.00 2.12 C ATOM 1309 CZ PHE A 84 2.197 -2.197 -2.916 1.00 0.76 C ATOM 0 H PHE A 84 -1.576 0.300 -0.963 1.00 0.58 H new ATOM 0 HA PHE A 84 -1.782 0.396 -3.853 1.00 0.59 H new ATOM 0 HB2 PHE A 84 -2.423 -1.733 -1.779 1.00 0.70 H new ATOM 0 HB3 PHE A 84 -2.551 -1.983 -3.509 1.00 0.70 H new ATOM 0 HD1 PHE A 84 -0.497 -1.783 -4.963 1.00 2.27 H new ATOM 0 HD2 PHE A 84 -0.310 -1.758 -0.658 1.00 2.02 H new ATOM 0 HE1 PHE A 84 1.953 -2.228 -5.063 1.00 2.19 H new ATOM 0 HE2 PHE A 84 2.145 -2.114 -0.766 1.00 2.12 H new ATOM 0 HZ PHE A 84 3.262 -2.372 -2.957 1.00 0.76 H new ATOM 1319 N MET A 85 -4.347 0.234 -4.239 1.00 0.58 N ATOM 1320 CA MET A 85 -5.768 0.009 -4.512 1.00 0.60 C ATOM 1321 C MET A 85 -5.935 -1.464 -4.876 1.00 0.56 C ATOM 1322 O MET A 85 -5.199 -1.966 -5.724 1.00 0.57 O ATOM 1323 CB MET A 85 -6.258 0.888 -5.665 1.00 0.67 C ATOM 1324 CG MET A 85 -7.619 1.521 -5.337 1.00 0.77 C ATOM 1325 SD MET A 85 -7.581 2.768 -4.008 1.00 0.58 S ATOM 1326 CE MET A 85 -9.339 2.794 -3.552 1.00 0.61 C ATOM 0 H MET A 85 -3.797 0.325 -5.093 1.00 0.58 H new ATOM 0 HA MET A 85 -6.358 0.268 -3.633 1.00 0.60 H new ATOM 0 HB2 MET A 85 -5.527 1.672 -5.865 1.00 0.67 H new ATOM 0 HB3 MET A 85 -6.341 0.290 -6.573 1.00 0.67 H new ATOM 0 HG2 MET A 85 -8.015 1.985 -6.240 1.00 0.77 H new ATOM 0 HG3 MET A 85 -8.313 0.730 -5.054 1.00 0.77 H new ATOM 0 HE1 MET A 85 -9.495 3.510 -2.745 1.00 0.61 H new ATOM 0 HE2 MET A 85 -9.935 3.086 -4.417 1.00 0.61 H new ATOM 0 HE3 MET A 85 -9.643 1.801 -3.220 1.00 0.61 H new ATOM 1336 N LEU A 86 -6.874 -2.156 -4.237 1.00 0.57 N ATOM 1337 CA LEU A 86 -7.163 -3.575 -4.463 1.00 0.57 C ATOM 1338 C LEU A 86 -8.541 -3.691 -5.116 1.00 0.61 C ATOM 1339 O LEU A 86 -9.476 -3.003 -4.700 1.00 0.66 O ATOM 1340 CB LEU A 86 -7.153 -4.339 -3.128 1.00 0.61 C ATOM 1341 CG LEU A 86 -5.792 -4.629 -2.456 1.00 0.55 C ATOM 1342 CD1 LEU A 86 -4.983 -3.380 -2.080 1.00 0.54 C ATOM 1343 CD2 LEU A 86 -6.059 -5.421 -1.168 1.00 0.64 C ATOM 0 H LEU A 86 -7.474 -1.736 -3.527 1.00 0.57 H new ATOM 0 HA LEU A 86 -6.402 -4.007 -5.113 1.00 0.57 H new ATOM 0 HB2 LEU A 86 -7.760 -3.776 -2.419 1.00 0.61 H new ATOM 0 HB3 LEU A 86 -7.654 -5.294 -3.288 1.00 0.61 H new ATOM 0 HG LEU A 86 -5.197 -5.176 -3.187 1.00 0.55 H new ATOM 0 HD11 LEU A 86 -4.044 -3.681 -1.615 1.00 0.54 H new ATOM 0 HD12 LEU A 86 -4.773 -2.799 -2.978 1.00 0.54 H new ATOM 0 HD13 LEU A 86 -5.556 -2.772 -1.380 1.00 0.54 H new ATOM 0 HD21 LEU A 86 -5.113 -5.640 -0.673 1.00 0.64 H new ATOM 0 HD22 LEU A 86 -6.689 -4.831 -0.502 1.00 0.64 H new ATOM 0 HD23 LEU A 86 -6.564 -6.355 -1.413 1.00 0.64 H new ATOM 1355 N LEU A 87 -8.677 -4.564 -6.120 1.00 0.64 N ATOM 1356 CA LEU A 87 -9.882 -4.700 -6.946 1.00 0.70 C ATOM 1357 C LEU A 87 -10.226 -6.162 -7.254 1.00 0.75 C ATOM 1358 O LEU A 87 -9.346 -7.013 -7.414 1.00 0.74 O ATOM 1359 CB LEU A 87 -9.667 -3.898 -8.248 1.00 0.77 C ATOM 1360 CG LEU A 87 -10.269 -2.483 -8.183 1.00 0.98 C ATOM 1361 CD1 LEU A 87 -9.615 -1.577 -9.232 1.00 1.81 C ATOM 1362 CD2 LEU A 87 -11.786 -2.553 -8.418 1.00 2.36 C ATOM 0 H LEU A 87 -7.935 -5.211 -6.387 1.00 0.64 H new ATOM 0 HA LEU A 87 -10.733 -4.305 -6.390 1.00 0.70 H new ATOM 0 HB2 LEU A 87 -8.599 -3.824 -8.452 1.00 0.77 H new ATOM 0 HB3 LEU A 87 -10.114 -4.440 -9.081 1.00 0.77 H new ATOM 0 HG LEU A 87 -10.079 -2.063 -7.195 1.00 0.98 H new ATOM 0 HD11 LEU A 87 -10.051 -0.580 -9.174 1.00 1.81 H new ATOM 0 HD12 LEU A 87 -8.543 -1.516 -9.043 1.00 1.81 H new ATOM 0 HD13 LEU A 87 -9.785 -1.990 -10.226 1.00 1.81 H new ATOM 0 HD21 LEU A 87 -12.208 -1.549 -8.371 1.00 2.36 H new ATOM 0 HD22 LEU A 87 -11.983 -2.984 -9.400 1.00 2.36 H new ATOM 0 HD23 LEU A 87 -12.245 -3.176 -7.650 1.00 2.36 H new ATOM 1374 N GLY A 88 -11.530 -6.453 -7.354 1.00 0.88 N ATOM 1375 CA GLY A 88 -12.063 -7.783 -7.688 1.00 0.97 C ATOM 1376 C GLY A 88 -11.951 -8.796 -6.546 1.00 1.05 C ATOM 1377 O GLY A 88 -11.809 -9.992 -6.808 1.00 1.33 O ATOM 0 H GLY A 88 -12.260 -5.757 -7.202 1.00 0.88 H new ATOM 0 HA2 GLY A 88 -13.111 -7.684 -7.972 1.00 0.97 H new ATOM 0 HA3 GLY A 88 -11.532 -8.169 -8.558 1.00 0.97 H new ATOM 1381 N LEU A 89 -11.938 -8.312 -5.297 1.00 0.94 N ATOM 1382 CA LEU A 89 -11.803 -9.109 -4.080 1.00 0.97 C ATOM 1383 C LEU A 89 -12.718 -10.321 -3.939 1.00 0.98 C ATOM 1384 O LEU A 89 -13.837 -10.398 -4.436 1.00 1.18 O ATOM 1385 CB LEU A 89 -11.831 -8.249 -2.806 1.00 0.95 C ATOM 1386 CG LEU A 89 -12.945 -7.195 -2.630 1.00 0.97 C ATOM 1387 CD1 LEU A 89 -14.357 -7.795 -2.666 1.00 1.48 C ATOM 1388 CD2 LEU A 89 -12.726 -6.487 -1.289 1.00 1.15 C ATOM 0 H LEU A 89 -12.025 -7.314 -5.104 1.00 0.94 H new ATOM 0 HA LEU A 89 -10.810 -9.542 -4.203 1.00 0.97 H new ATOM 0 HB2 LEU A 89 -11.884 -8.927 -1.954 1.00 0.95 H new ATOM 0 HB3 LEU A 89 -10.875 -7.729 -2.741 1.00 0.95 H new ATOM 0 HG LEU A 89 -12.882 -6.500 -3.468 1.00 0.97 H new ATOM 0 HD11 LEU A 89 -15.093 -7.001 -2.537 1.00 1.48 H new ATOM 0 HD12 LEU A 89 -14.519 -8.287 -3.625 1.00 1.48 H new ATOM 0 HD13 LEU A 89 -14.464 -8.523 -1.862 1.00 1.48 H new ATOM 0 HD21 LEU A 89 -13.503 -5.736 -1.143 1.00 1.15 H new ATOM 0 HD22 LEU A 89 -12.770 -7.217 -0.481 1.00 1.15 H new ATOM 0 HD23 LEU A 89 -11.749 -6.003 -1.288 1.00 1.15 H new ATOM 1400 N LYS A 90 -12.141 -11.306 -3.256 1.00 0.99 N ATOM 1401 CA LYS A 90 -12.648 -12.679 -3.227 1.00 1.09 C ATOM 1402 C LYS A 90 -13.000 -13.174 -1.811 1.00 1.04 C ATOM 1403 O LYS A 90 -13.441 -14.310 -1.635 1.00 1.08 O ATOM 1404 CB LYS A 90 -11.618 -13.522 -3.979 1.00 1.38 C ATOM 1405 CG LYS A 90 -11.460 -12.880 -5.373 1.00 1.70 C ATOM 1406 CD LYS A 90 -10.633 -13.734 -6.286 1.00 1.63 C ATOM 1407 CE LYS A 90 -10.408 -13.092 -7.674 1.00 1.55 C ATOM 1408 NZ LYS A 90 -11.632 -12.486 -8.269 1.00 2.31 N ATOM 0 H LYS A 90 -11.297 -11.173 -2.699 1.00 0.99 H new ATOM 0 HA LYS A 90 -13.615 -12.759 -3.724 1.00 1.09 H new ATOM 0 HB2 LYS A 90 -10.666 -13.536 -3.448 1.00 1.38 H new ATOM 0 HB3 LYS A 90 -11.951 -14.556 -4.064 1.00 1.38 H new ATOM 0 HG2 LYS A 90 -12.444 -12.722 -5.815 1.00 1.70 H new ATOM 0 HG3 LYS A 90 -10.995 -11.899 -5.271 1.00 1.70 H new ATOM 0 HD2 LYS A 90 -9.667 -13.925 -5.819 1.00 1.63 H new ATOM 0 HD3 LYS A 90 -11.122 -14.700 -6.413 1.00 1.63 H new ATOM 0 HE2 LYS A 90 -9.640 -12.323 -7.587 1.00 1.55 H new ATOM 0 HE3 LYS A 90 -10.023 -13.851 -8.355 1.00 1.55 H new ATOM 0 HZ1 LYS A 90 -11.474 -12.307 -9.281 1.00 2.31 H new ATOM 0 HZ2 LYS A 90 -12.434 -13.138 -8.153 1.00 2.31 H new ATOM 0 HZ3 LYS A 90 -11.844 -11.589 -7.788 1.00 2.31 H new ATOM 1422 N ARG A 91 -12.855 -12.298 -0.807 1.00 1.06 N ATOM 1423 CA ARG A 91 -13.416 -12.402 0.550 1.00 1.11 C ATOM 1424 C ARG A 91 -13.777 -10.977 1.035 1.00 0.99 C ATOM 1425 O ARG A 91 -13.029 -10.058 0.707 1.00 1.03 O ATOM 1426 CB ARG A 91 -12.395 -13.012 1.536 1.00 1.39 C ATOM 1427 CG ARG A 91 -11.814 -14.387 1.157 1.00 2.25 C ATOM 1428 CD ARG A 91 -12.817 -15.551 1.159 1.00 3.57 C ATOM 1429 NE ARG A 91 -12.974 -16.140 2.505 1.00 3.60 N ATOM 1430 CZ ARG A 91 -13.384 -17.375 2.778 1.00 4.72 C ATOM 1431 NH1 ARG A 91 -13.823 -18.185 1.835 1.00 6.03 N ATOM 1432 NH2 ARG A 91 -13.348 -17.814 4.020 1.00 5.00 N ATOM 0 H ARG A 91 -12.309 -11.445 -0.927 1.00 1.06 H new ATOM 0 HA ARG A 91 -14.293 -13.049 0.518 1.00 1.11 H new ATOM 0 HB2 ARG A 91 -11.568 -12.311 1.649 1.00 1.39 H new ATOM 0 HB3 ARG A 91 -12.873 -13.100 2.512 1.00 1.39 H new ATOM 0 HG2 ARG A 91 -11.371 -14.314 0.164 1.00 2.25 H new ATOM 0 HG3 ARG A 91 -11.007 -14.625 1.850 1.00 2.25 H new ATOM 0 HD2 ARG A 91 -13.784 -15.197 0.802 1.00 3.57 H new ATOM 0 HD3 ARG A 91 -12.482 -16.320 0.463 1.00 3.57 H new ATOM 0 HE ARG A 91 -12.746 -15.543 3.300 1.00 3.60 H new ATOM 0 HH11 ARG A 91 -13.855 -17.869 0.866 1.00 6.03 H new ATOM 0 HH12 ARG A 91 -14.131 -19.127 2.075 1.00 6.03 H new ATOM 0 HH21 ARG A 91 -13.007 -17.207 4.766 1.00 5.00 H new ATOM 0 HH22 ARG A 91 -13.661 -18.760 4.236 1.00 5.00 H new ATOM 1446 N PRO A 92 -14.864 -10.781 1.809 1.00 1.07 N ATOM 1447 CA PRO A 92 -15.137 -9.521 2.498 1.00 1.17 C ATOM 1448 C PRO A 92 -14.200 -9.358 3.704 1.00 1.29 C ATOM 1449 O PRO A 92 -13.687 -10.349 4.221 1.00 1.74 O ATOM 1450 CB PRO A 92 -16.607 -9.603 2.917 1.00 1.38 C ATOM 1451 CG PRO A 92 -16.815 -11.101 3.146 1.00 1.46 C ATOM 1452 CD PRO A 92 -15.908 -11.755 2.103 1.00 1.25 C ATOM 0 HA PRO A 92 -14.961 -8.650 1.866 1.00 1.17 H new ATOM 0 HB2 PRO A 92 -16.802 -9.025 3.821 1.00 1.38 H new ATOM 0 HB3 PRO A 92 -17.270 -9.217 2.143 1.00 1.38 H new ATOM 0 HG2 PRO A 92 -16.537 -11.394 4.159 1.00 1.46 H new ATOM 0 HG3 PRO A 92 -17.858 -11.387 3.006 1.00 1.46 H new ATOM 0 HD2 PRO A 92 -15.480 -12.682 2.485 1.00 1.25 H new ATOM 0 HD3 PRO A 92 -16.468 -12.009 1.203 1.00 1.25 H new ATOM 1460 N LEU A 93 -14.005 -8.115 4.160 1.00 1.21 N ATOM 1461 CA LEU A 93 -13.005 -7.709 5.147 1.00 1.29 C ATOM 1462 C LEU A 93 -13.700 -7.418 6.482 1.00 1.51 C ATOM 1463 O LEU A 93 -14.293 -6.360 6.676 1.00 1.90 O ATOM 1464 CB LEU A 93 -12.268 -6.441 4.637 1.00 1.48 C ATOM 1465 CG LEU A 93 -11.304 -6.555 3.436 1.00 1.27 C ATOM 1466 CD1 LEU A 93 -10.245 -7.641 3.642 1.00 2.81 C ATOM 1467 CD2 LEU A 93 -12.012 -6.756 2.095 1.00 2.30 C ATOM 0 H LEU A 93 -14.568 -7.330 3.834 1.00 1.21 H new ATOM 0 HA LEU A 93 -12.278 -8.508 5.292 1.00 1.29 H new ATOM 0 HB2 LEU A 93 -13.028 -5.703 4.378 1.00 1.48 H new ATOM 0 HB3 LEU A 93 -11.701 -6.034 5.474 1.00 1.48 H new ATOM 0 HG LEU A 93 -10.805 -5.587 3.391 1.00 1.27 H new ATOM 0 HD11 LEU A 93 -9.592 -7.682 2.770 1.00 2.81 H new ATOM 0 HD12 LEU A 93 -9.654 -7.409 4.528 1.00 2.81 H new ATOM 0 HD13 LEU A 93 -10.734 -8.606 3.774 1.00 2.81 H new ATOM 0 HD21 LEU A 93 -11.271 -6.827 1.299 1.00 2.30 H new ATOM 0 HD22 LEU A 93 -12.599 -7.674 2.127 1.00 2.30 H new ATOM 0 HD23 LEU A 93 -12.672 -5.910 1.902 1.00 2.30 H new ATOM 1479 N LYS A 94 -13.674 -8.360 7.424 1.00 1.66 N ATOM 1480 CA LYS A 94 -14.205 -8.174 8.768 1.00 2.06 C ATOM 1481 C LYS A 94 -13.217 -7.475 9.691 1.00 1.94 C ATOM 1482 O LYS A 94 -12.061 -7.866 9.840 1.00 2.31 O ATOM 1483 CB LYS A 94 -14.626 -9.514 9.382 1.00 2.55 C ATOM 1484 CG LYS A 94 -16.050 -9.883 8.986 1.00 2.22 C ATOM 1485 CD LYS A 94 -16.335 -10.123 7.505 1.00 3.00 C ATOM 1486 CE LYS A 94 -15.829 -11.503 7.045 1.00 3.96 C ATOM 1487 NZ LYS A 94 -14.393 -11.516 6.689 1.00 4.28 N ATOM 0 H LYS A 94 -13.277 -9.287 7.270 1.00 1.66 H new ATOM 0 HA LYS A 94 -15.080 -7.532 8.668 1.00 2.06 H new ATOM 0 HB2 LYS A 94 -13.941 -10.297 9.056 1.00 2.55 H new ATOM 0 HB3 LYS A 94 -14.552 -9.458 10.468 1.00 2.55 H new ATOM 0 HG2 LYS A 94 -16.327 -10.785 9.531 1.00 2.22 H new ATOM 0 HG3 LYS A 94 -16.711 -9.087 9.330 1.00 2.22 H new ATOM 0 HD2 LYS A 94 -17.407 -10.050 7.324 1.00 3.00 H new ATOM 0 HD3 LYS A 94 -15.857 -9.344 6.911 1.00 3.00 H new ATOM 0 HE2 LYS A 94 -16.005 -12.229 7.839 1.00 3.96 H new ATOM 0 HE3 LYS A 94 -16.412 -11.826 6.183 1.00 3.96 H new ATOM 0 HZ1 LYS A 94 -13.950 -12.379 7.064 1.00 4.28 H new ATOM 0 HZ2 LYS A 94 -14.292 -11.497 5.654 1.00 4.28 H new ATOM 0 HZ3 LYS A 94 -13.926 -10.681 7.098 1.00 4.28 H new ATOM 1501 N ALA A 95 -13.747 -6.478 10.392 1.00 1.71 N ATOM 1502 CA ALA A 95 -13.070 -5.809 11.499 1.00 1.58 C ATOM 1503 C ALA A 95 -12.564 -6.852 12.510 1.00 1.49 C ATOM 1504 O ALA A 95 -13.355 -7.581 13.102 1.00 1.66 O ATOM 1505 CB ALA A 95 -14.026 -4.795 12.141 1.00 1.86 C ATOM 0 H ALA A 95 -14.677 -6.105 10.203 1.00 1.71 H new ATOM 0 HA ALA A 95 -12.200 -5.263 11.135 1.00 1.58 H new ATOM 0 HB1 ALA A 95 -13.523 -4.294 12.968 1.00 1.86 H new ATOM 0 HB2 ALA A 95 -14.326 -4.056 11.398 1.00 1.86 H new ATOM 0 HB3 ALA A 95 -14.909 -5.313 12.514 1.00 1.86 H new ATOM 1511 N GLY A 96 -11.243 -6.927 12.647 1.00 1.31 N ATOM 1512 CA GLY A 96 -10.533 -7.857 13.534 1.00 1.29 C ATOM 1513 C GLY A 96 -9.870 -9.055 12.848 1.00 1.39 C ATOM 1514 O GLY A 96 -9.195 -9.805 13.541 1.00 1.88 O ATOM 0 H GLY A 96 -10.610 -6.321 12.126 1.00 1.31 H new ATOM 0 HA2 GLY A 96 -9.766 -7.301 14.074 1.00 1.29 H new ATOM 0 HA3 GLY A 96 -11.238 -8.231 14.276 1.00 1.29 H new ATOM 1518 N GLU A 97 -10.020 -9.246 11.533 1.00 1.32 N ATOM 1519 CA GLU A 97 -9.195 -10.206 10.781 1.00 1.28 C ATOM 1520 C GLU A 97 -7.782 -9.659 10.522 1.00 0.97 C ATOM 1521 O GLU A 97 -7.446 -8.521 10.857 1.00 0.78 O ATOM 1522 CB GLU A 97 -9.852 -10.560 9.435 1.00 1.44 C ATOM 1523 CG GLU A 97 -11.151 -11.357 9.593 1.00 1.97 C ATOM 1524 CD GLU A 97 -11.816 -11.620 8.244 1.00 1.61 C ATOM 1525 OE1 GLU A 97 -12.002 -10.651 7.478 1.00 1.68 O ATOM 1526 OE2 GLU A 97 -12.359 -12.722 7.996 1.00 2.76 O ATOM 0 H GLU A 97 -10.705 -8.749 10.964 1.00 1.32 H new ATOM 0 HA GLU A 97 -9.117 -11.103 11.395 1.00 1.28 H new ATOM 0 HB2 GLU A 97 -10.060 -9.642 8.886 1.00 1.44 H new ATOM 0 HB3 GLU A 97 -9.149 -11.137 8.835 1.00 1.44 H new ATOM 0 HG2 GLU A 97 -10.939 -12.306 10.086 1.00 1.97 H new ATOM 0 HG3 GLU A 97 -11.838 -10.809 10.238 1.00 1.97 H new ATOM 1533 N GLU A 98 -6.987 -10.456 9.823 1.00 1.03 N ATOM 1534 CA GLU A 98 -5.647 -10.219 9.349 1.00 0.87 C ATOM 1535 C GLU A 98 -5.592 -10.836 7.951 1.00 0.85 C ATOM 1536 O GLU A 98 -6.198 -11.871 7.677 1.00 1.18 O ATOM 1537 CB GLU A 98 -4.595 -10.796 10.318 1.00 1.26 C ATOM 1538 CG GLU A 98 -4.812 -12.275 10.678 1.00 1.90 C ATOM 1539 CD GLU A 98 -3.738 -12.792 11.633 1.00 2.67 C ATOM 1540 OE1 GLU A 98 -3.647 -12.248 12.756 1.00 3.20 O ATOM 1541 OE2 GLU A 98 -3.033 -13.746 11.237 1.00 3.53 O ATOM 0 H GLU A 98 -7.309 -11.384 9.549 1.00 1.03 H new ATOM 0 HA GLU A 98 -5.408 -9.157 9.301 1.00 0.87 H new ATOM 0 HB2 GLU A 98 -3.607 -10.684 9.872 1.00 1.26 H new ATOM 0 HB3 GLU A 98 -4.600 -10.206 11.235 1.00 1.26 H new ATOM 0 HG2 GLU A 98 -5.794 -12.397 11.135 1.00 1.90 H new ATOM 0 HG3 GLU A 98 -4.808 -12.875 9.768 1.00 1.90 H new ATOM 1548 N VAL A 99 -4.938 -10.123 7.048 1.00 0.62 N ATOM 1549 CA VAL A 99 -4.848 -10.402 5.610 1.00 0.62 C ATOM 1550 C VAL A 99 -3.402 -10.211 5.170 1.00 0.55 C ATOM 1551 O VAL A 99 -2.818 -9.145 5.376 1.00 0.70 O ATOM 1552 CB VAL A 99 -5.776 -9.458 4.810 1.00 0.76 C ATOM 1553 CG1 VAL A 99 -5.547 -9.528 3.289 1.00 1.02 C ATOM 1554 CG2 VAL A 99 -7.257 -9.771 5.088 1.00 0.92 C ATOM 0 H VAL A 99 -4.422 -9.282 7.307 1.00 0.62 H new ATOM 0 HA VAL A 99 -5.167 -11.427 5.418 1.00 0.62 H new ATOM 0 HB VAL A 99 -5.526 -8.453 5.149 1.00 0.76 H new ATOM 0 HG11 VAL A 99 -6.229 -8.842 2.786 1.00 1.02 H new ATOM 0 HG12 VAL A 99 -4.518 -9.247 3.063 1.00 1.02 H new ATOM 0 HG13 VAL A 99 -5.731 -10.544 2.940 1.00 1.02 H new ATOM 0 HG21 VAL A 99 -7.887 -9.092 4.513 1.00 0.92 H new ATOM 0 HG22 VAL A 99 -7.472 -10.799 4.798 1.00 0.92 H new ATOM 0 HG23 VAL A 99 -7.463 -9.643 6.151 1.00 0.92 H new ATOM 1564 N GLU A 100 -2.841 -11.231 4.522 1.00 0.62 N ATOM 1565 CA GLU A 100 -1.505 -11.129 3.941 1.00 0.62 C ATOM 1566 C GLU A 100 -1.517 -10.363 2.614 1.00 0.57 C ATOM 1567 O GLU A 100 -2.382 -10.564 1.752 1.00 0.65 O ATOM 1568 CB GLU A 100 -0.857 -12.498 3.722 1.00 0.90 C ATOM 1569 CG GLU A 100 -0.374 -13.163 5.015 1.00 2.19 C ATOM 1570 CD GLU A 100 0.697 -14.185 4.658 1.00 2.57 C ATOM 1571 OE1 GLU A 100 0.356 -15.249 4.090 1.00 2.21 O ATOM 1572 OE2 GLU A 100 1.902 -13.846 4.738 1.00 3.82 O ATOM 0 H GLU A 100 -3.291 -12.136 4.387 1.00 0.62 H new ATOM 0 HA GLU A 100 -0.911 -10.576 4.669 1.00 0.62 H new ATOM 0 HB2 GLU A 100 -1.574 -13.156 3.231 1.00 0.90 H new ATOM 0 HB3 GLU A 100 -0.011 -12.386 3.043 1.00 0.90 H new ATOM 0 HG2 GLU A 100 0.028 -12.415 5.699 1.00 2.19 H new ATOM 0 HG3 GLU A 100 -1.206 -13.648 5.526 1.00 2.19 H new ATOM 1579 N LEU A 101 -0.491 -9.527 2.445 1.00 0.66 N ATOM 1580 CA LEU A 101 -0.085 -8.943 1.171 1.00 0.64 C ATOM 1581 C LEU A 101 1.290 -9.495 0.775 1.00 0.60 C ATOM 1582 O LEU A 101 2.169 -9.730 1.612 1.00 0.66 O ATOM 1583 CB LEU A 101 -0.043 -7.400 1.276 1.00 0.69 C ATOM 1584 CG LEU A 101 -1.330 -6.604 0.965 1.00 1.11 C ATOM 1585 CD1 LEU A 101 -1.564 -6.370 -0.533 1.00 2.18 C ATOM 1586 CD2 LEU A 101 -2.603 -7.162 1.615 1.00 3.19 C ATOM 0 H LEU A 101 0.100 -9.229 3.221 1.00 0.66 H new ATOM 0 HA LEU A 101 -0.811 -9.210 0.403 1.00 0.64 H new ATOM 0 HB2 LEU A 101 0.267 -7.145 2.289 1.00 0.69 H new ATOM 0 HB3 LEU A 101 0.738 -7.043 0.604 1.00 0.69 H new ATOM 0 HG LEU A 101 -1.132 -5.639 1.432 1.00 1.11 H new ATOM 0 HD11 LEU A 101 -2.486 -5.805 -0.673 1.00 2.18 H new ATOM 0 HD12 LEU A 101 -0.727 -5.808 -0.949 1.00 2.18 H new ATOM 0 HD13 LEU A 101 -1.646 -7.330 -1.043 1.00 2.18 H new ATOM 0 HD21 LEU A 101 -3.455 -6.539 1.341 1.00 3.19 H new ATOM 0 HD22 LEU A 101 -2.772 -8.181 1.268 1.00 3.19 H new ATOM 0 HD23 LEU A 101 -2.488 -7.162 2.699 1.00 3.19 H new ATOM 1598 N ASP A 102 1.459 -9.638 -0.534 1.00 0.62 N ATOM 1599 CA ASP A 102 2.687 -9.967 -1.252 1.00 0.64 C ATOM 1600 C ASP A 102 3.256 -8.680 -1.882 1.00 0.60 C ATOM 1601 O ASP A 102 2.499 -7.865 -2.410 1.00 0.74 O ATOM 1602 CB ASP A 102 2.325 -10.953 -2.376 1.00 0.81 C ATOM 1603 CG ASP A 102 1.511 -12.182 -1.945 1.00 1.55 C ATOM 1604 OD1 ASP A 102 2.123 -13.140 -1.421 1.00 1.92 O ATOM 1605 OD2 ASP A 102 0.281 -12.176 -2.198 1.00 2.64 O ATOM 0 H ASP A 102 0.675 -9.517 -1.175 1.00 0.62 H new ATOM 0 HA ASP A 102 3.424 -10.404 -0.578 1.00 0.64 H new ATOM 0 HB2 ASP A 102 1.761 -10.416 -3.139 1.00 0.81 H new ATOM 0 HB3 ASP A 102 3.247 -11.297 -2.844 1.00 0.81 H new ATOM 1610 N LEU A 103 4.575 -8.475 -1.848 1.00 0.58 N ATOM 1611 CA LEU A 103 5.277 -7.326 -2.435 1.00 0.56 C ATOM 1612 C LEU A 103 6.085 -7.764 -3.665 1.00 0.64 C ATOM 1613 O LEU A 103 6.763 -8.786 -3.615 1.00 0.86 O ATOM 1614 CB LEU A 103 6.248 -6.728 -1.398 1.00 0.61 C ATOM 1615 CG LEU A 103 5.611 -5.975 -0.211 1.00 0.62 C ATOM 1616 CD1 LEU A 103 4.933 -6.894 0.809 1.00 0.68 C ATOM 1617 CD2 LEU A 103 6.688 -5.168 0.529 1.00 0.87 C ATOM 0 H LEU A 103 5.211 -9.130 -1.393 1.00 0.58 H new ATOM 0 HA LEU A 103 4.536 -6.584 -2.731 1.00 0.56 H new ATOM 0 HB2 LEU A 103 6.861 -7.536 -1.000 1.00 0.61 H new ATOM 0 HB3 LEU A 103 6.920 -6.043 -1.915 1.00 0.61 H new ATOM 0 HG LEU A 103 4.844 -5.332 -0.644 1.00 0.62 H new ATOM 0 HD11 LEU A 103 4.509 -6.294 1.614 1.00 0.68 H new ATOM 0 HD12 LEU A 103 4.139 -7.458 0.319 1.00 0.68 H new ATOM 0 HD13 LEU A 103 5.668 -7.585 1.221 1.00 0.68 H new ATOM 0 HD21 LEU A 103 6.234 -4.638 1.366 1.00 0.87 H new ATOM 0 HD22 LEU A 103 7.457 -5.844 0.902 1.00 0.87 H new ATOM 0 HD23 LEU A 103 7.138 -4.448 -0.155 1.00 0.87 H new ATOM 1629 N LEU A 104 6.069 -6.971 -4.746 1.00 0.52 N ATOM 1630 CA LEU A 104 6.814 -7.231 -5.984 1.00 0.53 C ATOM 1631 C LEU A 104 7.935 -6.192 -6.180 1.00 0.53 C ATOM 1632 O LEU A 104 7.675 -5.015 -6.465 1.00 0.56 O ATOM 1633 CB LEU A 104 5.823 -7.225 -7.167 1.00 0.54 C ATOM 1634 CG LEU A 104 4.660 -8.240 -7.082 1.00 0.56 C ATOM 1635 CD1 LEU A 104 3.796 -8.160 -8.349 1.00 0.58 C ATOM 1636 CD2 LEU A 104 5.142 -9.688 -6.899 1.00 0.63 C ATOM 0 H LEU A 104 5.524 -6.110 -4.783 1.00 0.52 H new ATOM 0 HA LEU A 104 7.296 -8.207 -5.926 1.00 0.53 H new ATOM 0 HB2 LEU A 104 5.400 -6.224 -7.256 1.00 0.54 H new ATOM 0 HB3 LEU A 104 6.381 -7.418 -8.083 1.00 0.54 H new ATOM 0 HG LEU A 104 4.078 -7.970 -6.201 1.00 0.56 H new ATOM 0 HD11 LEU A 104 2.980 -8.879 -8.279 1.00 0.58 H new ATOM 0 HD12 LEU A 104 3.387 -7.155 -8.447 1.00 0.58 H new ATOM 0 HD13 LEU A 104 4.408 -8.390 -9.222 1.00 0.58 H new ATOM 0 HD21 LEU A 104 4.281 -10.354 -6.846 1.00 0.63 H new ATOM 0 HD22 LEU A 104 5.769 -9.972 -7.744 1.00 0.63 H new ATOM 0 HD23 LEU A 104 5.718 -9.766 -5.977 1.00 0.63 H new ATOM 1648 N PHE A 105 9.188 -6.628 -6.041 1.00 0.55 N ATOM 1649 CA PHE A 105 10.393 -5.801 -6.164 1.00 0.58 C ATOM 1650 C PHE A 105 11.172 -6.086 -7.456 1.00 0.62 C ATOM 1651 O PHE A 105 11.164 -7.193 -7.998 1.00 0.85 O ATOM 1652 CB PHE A 105 11.282 -6.004 -4.930 1.00 0.62 C ATOM 1653 CG PHE A 105 10.691 -5.542 -3.616 1.00 0.64 C ATOM 1654 CD1 PHE A 105 10.873 -4.217 -3.193 1.00 1.98 C ATOM 1655 CD2 PHE A 105 10.055 -6.465 -2.759 1.00 1.73 C ATOM 1656 CE1 PHE A 105 10.440 -3.808 -1.923 1.00 2.04 C ATOM 1657 CE2 PHE A 105 9.639 -6.056 -1.484 1.00 1.68 C ATOM 1658 CZ PHE A 105 9.835 -4.731 -1.061 1.00 0.72 C ATOM 0 H PHE A 105 9.401 -7.603 -5.832 1.00 0.55 H new ATOM 0 HA PHE A 105 10.080 -4.759 -6.219 1.00 0.58 H new ATOM 0 HB2 PHE A 105 11.522 -7.064 -4.847 1.00 0.62 H new ATOM 0 HB3 PHE A 105 12.222 -5.476 -5.091 1.00 0.62 H new ATOM 0 HD1 PHE A 105 11.351 -3.506 -3.851 1.00 1.98 H new ATOM 0 HD2 PHE A 105 9.889 -7.482 -3.084 1.00 1.73 H new ATOM 0 HE1 PHE A 105 10.573 -2.783 -1.610 1.00 2.04 H new ATOM 0 HE2 PHE A 105 9.164 -6.765 -0.822 1.00 1.68 H new ATOM 0 HZ PHE A 105 9.520 -4.425 -0.074 1.00 0.72 H new ATOM 1668 N ALA A 106 11.882 -5.057 -7.932 1.00 0.61 N ATOM 1669 CA ALA A 106 12.603 -5.055 -9.206 1.00 0.66 C ATOM 1670 C ALA A 106 13.568 -6.251 -9.371 1.00 1.17 C ATOM 1671 O ALA A 106 14.574 -6.379 -8.663 1.00 1.75 O ATOM 1672 CB ALA A 106 13.319 -3.705 -9.355 1.00 0.97 C ATOM 0 H ALA A 106 11.972 -4.177 -7.424 1.00 0.61 H new ATOM 0 HA ALA A 106 11.880 -5.181 -10.012 1.00 0.66 H new ATOM 0 HB1 ALA A 106 13.863 -3.684 -10.299 1.00 0.97 H new ATOM 0 HB2 ALA A 106 12.584 -2.900 -9.341 1.00 0.97 H new ATOM 0 HB3 ALA A 106 14.019 -3.571 -8.530 1.00 0.97 H new ATOM 1678 N GLY A 107 13.258 -7.117 -10.343 1.00 1.67 N ATOM 1679 CA GLY A 107 14.056 -8.293 -10.706 1.00 2.36 C ATOM 1680 C GLY A 107 13.803 -9.491 -9.791 1.00 1.99 C ATOM 1681 O GLY A 107 14.696 -9.864 -9.032 1.00 2.81 O ATOM 0 H GLY A 107 12.420 -7.015 -10.915 1.00 1.67 H new ATOM 0 HA2 GLY A 107 13.831 -8.575 -11.735 1.00 2.36 H new ATOM 0 HA3 GLY A 107 15.114 -8.033 -10.671 1.00 2.36 H new ATOM 1685 N GLY A 108 12.608 -10.086 -9.884 1.00 1.44 N ATOM 1686 CA GLY A 108 12.285 -11.422 -9.347 1.00 1.60 C ATOM 1687 C GLY A 108 12.146 -11.526 -7.826 1.00 1.48 C ATOM 1688 O GLY A 108 12.060 -12.630 -7.298 1.00 2.02 O ATOM 0 H GLY A 108 11.814 -9.643 -10.347 1.00 1.44 H new ATOM 0 HA2 GLY A 108 11.351 -11.756 -9.800 1.00 1.60 H new ATOM 0 HA3 GLY A 108 13.061 -12.117 -9.668 1.00 1.60 H new ATOM 1692 N LYS A 109 12.161 -10.410 -7.102 1.00 0.95 N ATOM 1693 CA LYS A 109 12.209 -10.409 -5.637 1.00 0.85 C ATOM 1694 C LYS A 109 10.813 -10.257 -5.036 1.00 0.80 C ATOM 1695 O LYS A 109 10.122 -9.288 -5.340 1.00 0.82 O ATOM 1696 CB LYS A 109 13.138 -9.276 -5.194 1.00 0.89 C ATOM 1697 CG LYS A 109 14.597 -9.649 -5.470 1.00 1.32 C ATOM 1698 CD LYS A 109 15.437 -8.399 -5.790 1.00 1.80 C ATOM 1699 CE LYS A 109 16.594 -8.754 -6.731 1.00 2.74 C ATOM 1700 NZ LYS A 109 16.935 -7.607 -7.604 1.00 3.61 N ATOM 0 H LYS A 109 12.140 -9.477 -7.513 1.00 0.95 H new ATOM 0 HA LYS A 109 12.595 -11.363 -5.277 1.00 0.85 H new ATOM 0 HB2 LYS A 109 12.883 -8.359 -5.725 1.00 0.89 H new ATOM 0 HB3 LYS A 109 13.001 -9.078 -4.131 1.00 0.89 H new ATOM 0 HG2 LYS A 109 15.015 -10.160 -4.603 1.00 1.32 H new ATOM 0 HG3 LYS A 109 14.645 -10.347 -6.306 1.00 1.32 H new ATOM 0 HD2 LYS A 109 14.807 -7.638 -6.251 1.00 1.80 H new ATOM 0 HD3 LYS A 109 15.829 -7.972 -4.867 1.00 1.80 H new ATOM 0 HE2 LYS A 109 17.467 -9.044 -6.147 1.00 2.74 H new ATOM 0 HE3 LYS A 109 16.320 -9.613 -7.343 1.00 2.74 H new ATOM 0 HZ1 LYS A 109 17.530 -7.935 -8.391 1.00 3.61 H new ATOM 0 HZ2 LYS A 109 16.062 -7.187 -7.982 1.00 3.61 H new ATOM 0 HZ3 LYS A 109 17.452 -6.893 -7.053 1.00 3.61 H new ATOM 1714 N VAL A 110 10.453 -11.188 -4.157 1.00 0.85 N ATOM 1715 CA VAL A 110 9.149 -11.220 -3.481 1.00 0.81 C ATOM 1716 C VAL A 110 9.323 -11.334 -1.964 1.00 0.85 C ATOM 1717 O VAL A 110 10.215 -12.037 -1.491 1.00 0.97 O ATOM 1718 CB VAL A 110 8.240 -12.352 -4.035 1.00 0.91 C ATOM 1719 CG1 VAL A 110 6.852 -12.400 -3.371 1.00 1.90 C ATOM 1720 CG2 VAL A 110 8.045 -12.204 -5.556 1.00 1.64 C ATOM 0 H VAL A 110 11.066 -11.957 -3.886 1.00 0.85 H new ATOM 0 HA VAL A 110 8.646 -10.276 -3.691 1.00 0.81 H new ATOM 0 HB VAL A 110 8.759 -13.281 -3.801 1.00 0.91 H new ATOM 0 HG11 VAL A 110 6.269 -13.213 -3.804 1.00 1.90 H new ATOM 0 HG12 VAL A 110 6.967 -12.567 -2.300 1.00 1.90 H new ATOM 0 HG13 VAL A 110 6.336 -11.455 -3.538 1.00 1.90 H new ATOM 0 HG21 VAL A 110 7.405 -13.008 -5.921 1.00 1.64 H new ATOM 0 HG22 VAL A 110 7.578 -11.243 -5.771 1.00 1.64 H new ATOM 0 HG23 VAL A 110 9.013 -12.257 -6.054 1.00 1.64 H new ATOM 1730 N LEU A 111 8.457 -10.633 -1.226 1.00 0.79 N ATOM 1731 CA LEU A 111 8.354 -10.598 0.239 1.00 0.88 C ATOM 1732 C LEU A 111 6.868 -10.571 0.625 1.00 0.76 C ATOM 1733 O LEU A 111 6.033 -10.216 -0.204 1.00 0.90 O ATOM 1734 CB LEU A 111 9.091 -9.337 0.733 1.00 1.04 C ATOM 1735 CG LEU A 111 9.158 -9.105 2.255 1.00 1.47 C ATOM 1736 CD1 LEU A 111 9.889 -10.243 2.980 1.00 1.94 C ATOM 1737 CD2 LEU A 111 9.868 -7.771 2.515 1.00 2.10 C ATOM 0 H LEU A 111 7.760 -10.032 -1.666 1.00 0.79 H new ATOM 0 HA LEU A 111 8.808 -11.476 0.699 1.00 0.88 H new ATOM 0 HB2 LEU A 111 10.112 -9.373 0.353 1.00 1.04 H new ATOM 0 HB3 LEU A 111 8.613 -8.468 0.281 1.00 1.04 H new ATOM 0 HG LEU A 111 8.141 -9.080 2.647 1.00 1.47 H new ATOM 0 HD11 LEU A 111 9.912 -10.037 4.050 1.00 1.94 H new ATOM 0 HD12 LEU A 111 9.366 -11.183 2.803 1.00 1.94 H new ATOM 0 HD13 LEU A 111 10.909 -10.319 2.603 1.00 1.94 H new ATOM 0 HD21 LEU A 111 9.924 -7.592 3.589 1.00 2.10 H new ATOM 0 HD22 LEU A 111 10.875 -7.808 2.101 1.00 2.10 H new ATOM 0 HD23 LEU A 111 9.310 -6.963 2.041 1.00 2.10 H new ATOM 1749 N LYS A 112 6.514 -10.943 1.861 1.00 1.11 N ATOM 1750 CA LYS A 112 5.125 -10.958 2.350 1.00 1.08 C ATOM 1751 C LYS A 112 4.993 -10.292 3.736 1.00 1.18 C ATOM 1752 O LYS A 112 5.902 -10.389 4.557 1.00 1.46 O ATOM 1753 CB LYS A 112 4.593 -12.406 2.339 1.00 1.25 C ATOM 1754 CG LYS A 112 4.572 -12.967 0.904 1.00 1.92 C ATOM 1755 CD LYS A 112 4.112 -14.419 0.750 1.00 2.01 C ATOM 1756 CE LYS A 112 2.650 -14.617 1.158 1.00 1.54 C ATOM 1757 NZ LYS A 112 2.523 -15.172 2.524 1.00 2.14 N ATOM 0 H LYS A 112 7.191 -11.246 2.561 1.00 1.11 H new ATOM 0 HA LYS A 112 4.509 -10.361 1.678 1.00 1.08 H new ATOM 0 HB2 LYS A 112 5.220 -13.034 2.971 1.00 1.25 H new ATOM 0 HB3 LYS A 112 3.588 -12.433 2.760 1.00 1.25 H new ATOM 0 HG2 LYS A 112 3.921 -12.336 0.299 1.00 1.92 H new ATOM 0 HG3 LYS A 112 5.576 -12.880 0.488 1.00 1.92 H new ATOM 0 HD2 LYS A 112 4.242 -14.730 -0.287 1.00 2.01 H new ATOM 0 HD3 LYS A 112 4.746 -15.064 1.358 1.00 2.01 H new ATOM 0 HE2 LYS A 112 2.127 -13.662 1.105 1.00 1.54 H new ATOM 0 HE3 LYS A 112 2.164 -15.287 0.449 1.00 1.54 H new ATOM 0 HZ1 LYS A 112 1.542 -15.479 2.684 1.00 2.14 H new ATOM 0 HZ2 LYS A 112 3.162 -15.986 2.629 1.00 2.14 H new ATOM 0 HZ3 LYS A 112 2.775 -14.442 3.220 1.00 2.14 H new ATOM 1771 N VAL A 113 3.866 -9.614 3.967 1.00 1.05 N ATOM 1772 CA VAL A 113 3.556 -8.756 5.139 1.00 1.30 C ATOM 1773 C VAL A 113 2.112 -8.988 5.621 1.00 1.27 C ATOM 1774 O VAL A 113 1.306 -9.507 4.846 1.00 1.09 O ATOM 1775 CB VAL A 113 3.765 -7.260 4.805 1.00 1.46 C ATOM 1776 CG1 VAL A 113 5.239 -6.946 4.490 1.00 2.24 C ATOM 1777 CG2 VAL A 113 2.849 -6.805 3.659 1.00 2.61 C ATOM 0 H VAL A 113 3.090 -9.644 3.306 1.00 1.05 H new ATOM 0 HA VAL A 113 4.243 -9.032 5.939 1.00 1.30 H new ATOM 0 HB VAL A 113 3.491 -6.694 5.695 1.00 1.46 H new ATOM 0 HG11 VAL A 113 5.344 -5.886 4.261 1.00 2.24 H new ATOM 0 HG12 VAL A 113 5.856 -7.193 5.354 1.00 2.24 H new ATOM 0 HG13 VAL A 113 5.562 -7.536 3.632 1.00 2.24 H new ATOM 0 HG21 VAL A 113 3.023 -5.749 3.451 1.00 2.61 H new ATOM 0 HG22 VAL A 113 3.065 -7.391 2.766 1.00 2.61 H new ATOM 0 HG23 VAL A 113 1.808 -6.952 3.945 1.00 2.61 H new ATOM 1787 N VAL A 114 1.775 -8.625 6.870 1.00 1.54 N ATOM 1788 CA VAL A 114 0.604 -9.192 7.582 1.00 1.21 C ATOM 1789 C VAL A 114 -0.262 -8.074 8.172 1.00 1.20 C ATOM 1790 O VAL A 114 -0.025 -7.577 9.269 1.00 1.73 O ATOM 1791 CB VAL A 114 1.014 -10.200 8.690 1.00 1.61 C ATOM 1792 CG1 VAL A 114 -0.232 -10.914 9.251 1.00 1.61 C ATOM 1793 CG2 VAL A 114 1.995 -11.270 8.175 1.00 2.25 C ATOM 0 H VAL A 114 2.297 -7.938 7.415 1.00 1.54 H new ATOM 0 HA VAL A 114 0.021 -9.744 6.844 1.00 1.21 H new ATOM 0 HB VAL A 114 1.510 -9.621 9.469 1.00 1.61 H new ATOM 0 HG11 VAL A 114 0.070 -11.618 10.027 1.00 1.61 H new ATOM 0 HG12 VAL A 114 -0.914 -10.177 9.675 1.00 1.61 H new ATOM 0 HG13 VAL A 114 -0.735 -11.453 8.448 1.00 1.61 H new ATOM 0 HG21 VAL A 114 2.251 -11.950 8.987 1.00 2.25 H new ATOM 0 HG22 VAL A 114 1.529 -11.831 7.365 1.00 2.25 H new ATOM 0 HG23 VAL A 114 2.900 -10.787 7.808 1.00 2.25 H new ATOM 1803 N LEU A 115 -1.290 -7.668 7.425 1.00 1.02 N ATOM 1804 CA LEU A 115 -2.065 -6.461 7.712 1.00 1.20 C ATOM 1805 C LEU A 115 -3.370 -6.805 8.458 1.00 0.92 C ATOM 1806 O LEU A 115 -4.177 -7.556 7.901 1.00 0.92 O ATOM 1807 CB LEU A 115 -2.387 -5.750 6.383 1.00 1.52 C ATOM 1808 CG LEU A 115 -1.238 -5.604 5.366 1.00 1.32 C ATOM 1809 CD1 LEU A 115 -1.747 -4.755 4.195 1.00 2.40 C ATOM 1810 CD2 LEU A 115 0.034 -4.977 5.944 1.00 1.66 C ATOM 0 H LEU A 115 -1.610 -8.172 6.598 1.00 1.02 H new ATOM 0 HA LEU A 115 -1.478 -5.805 8.354 1.00 1.20 H new ATOM 0 HB2 LEU A 115 -3.200 -6.291 5.899 1.00 1.52 H new ATOM 0 HB3 LEU A 115 -2.761 -4.753 6.615 1.00 1.52 H new ATOM 0 HG LEU A 115 -0.953 -6.607 5.050 1.00 1.32 H new ATOM 0 HD11 LEU A 115 -0.952 -4.636 3.459 1.00 2.40 H new ATOM 0 HD12 LEU A 115 -2.600 -5.250 3.731 1.00 2.40 H new ATOM 0 HD13 LEU A 115 -2.052 -3.775 4.562 1.00 2.40 H new ATOM 0 HD21 LEU A 115 0.793 -4.910 5.165 1.00 1.66 H new ATOM 0 HD22 LEU A 115 -0.191 -3.978 6.319 1.00 1.66 H new ATOM 0 HD23 LEU A 115 0.406 -5.596 6.761 1.00 1.66 H new ATOM 1822 N PRO A 116 -3.652 -6.241 9.649 1.00 0.77 N ATOM 1823 CA PRO A 116 -4.962 -6.374 10.280 1.00 0.65 C ATOM 1824 C PRO A 116 -6.035 -5.616 9.487 1.00 0.77 C ATOM 1825 O PRO A 116 -5.746 -4.630 8.804 1.00 0.98 O ATOM 1826 CB PRO A 116 -4.799 -5.837 11.704 1.00 0.66 C ATOM 1827 CG PRO A 116 -3.657 -4.832 11.571 1.00 0.70 C ATOM 1828 CD PRO A 116 -2.769 -5.451 10.495 1.00 0.83 C ATOM 0 HA PRO A 116 -5.299 -7.410 10.301 1.00 0.65 H new ATOM 0 HB2 PRO A 116 -5.713 -5.363 12.062 1.00 0.66 H new ATOM 0 HB3 PRO A 116 -4.555 -6.632 12.409 1.00 0.66 H new ATOM 0 HG2 PRO A 116 -4.020 -3.847 11.276 1.00 0.70 H new ATOM 0 HG3 PRO A 116 -3.121 -4.705 12.512 1.00 0.70 H new ATOM 0 HD2 PRO A 116 -2.262 -4.679 9.916 1.00 0.83 H new ATOM 0 HD3 PRO A 116 -1.994 -6.075 10.940 1.00 0.83 H new ATOM 1836 N VAL A 117 -7.291 -6.056 9.601 1.00 0.77 N ATOM 1837 CA VAL A 117 -8.454 -5.320 9.085 1.00 0.95 C ATOM 1838 C VAL A 117 -9.040 -4.427 10.186 1.00 0.97 C ATOM 1839 O VAL A 117 -9.510 -4.931 11.209 1.00 1.01 O ATOM 1840 CB VAL A 117 -9.536 -6.287 8.563 1.00 1.11 C ATOM 1841 CG1 VAL A 117 -10.774 -5.511 8.072 1.00 1.49 C ATOM 1842 CG2 VAL A 117 -9.010 -7.163 7.413 1.00 1.03 C ATOM 0 H VAL A 117 -7.533 -6.936 10.055 1.00 0.77 H new ATOM 0 HA VAL A 117 -8.121 -4.699 8.254 1.00 0.95 H new ATOM 0 HB VAL A 117 -9.812 -6.931 9.398 1.00 1.11 H new ATOM 0 HG11 VAL A 117 -11.524 -6.214 7.709 1.00 1.49 H new ATOM 0 HG12 VAL A 117 -11.190 -4.931 8.896 1.00 1.49 H new ATOM 0 HG13 VAL A 117 -10.485 -4.839 7.264 1.00 1.49 H new ATOM 0 HG21 VAL A 117 -9.802 -7.831 7.073 1.00 1.03 H new ATOM 0 HG22 VAL A 117 -8.692 -6.527 6.587 1.00 1.03 H new ATOM 0 HG23 VAL A 117 -8.163 -7.753 7.763 1.00 1.03 H new ATOM 1852 N GLU A 118 -9.091 -3.112 9.935 1.00 1.05 N ATOM 1853 CA GLU A 118 -9.842 -2.142 10.743 1.00 1.18 C ATOM 1854 C GLU A 118 -10.939 -1.470 9.900 1.00 1.52 C ATOM 1855 O GLU A 118 -10.692 -1.027 8.777 1.00 1.48 O ATOM 1856 CB GLU A 118 -8.936 -1.034 11.303 1.00 1.35 C ATOM 1857 CG GLU A 118 -7.831 -1.470 12.278 1.00 1.61 C ATOM 1858 CD GLU A 118 -7.268 -0.251 13.023 1.00 2.61 C ATOM 1859 OE1 GLU A 118 -7.120 0.813 12.375 1.00 3.39 O ATOM 1860 OE2 GLU A 118 -7.048 -0.350 14.246 1.00 3.49 O ATOM 0 H GLU A 118 -8.602 -2.684 9.149 1.00 1.05 H new ATOM 0 HA GLU A 118 -10.279 -2.702 11.570 1.00 1.18 H new ATOM 0 HB2 GLU A 118 -8.466 -0.523 10.463 1.00 1.35 H new ATOM 0 HB3 GLU A 118 -9.566 -0.303 11.809 1.00 1.35 H new ATOM 0 HG2 GLU A 118 -8.230 -2.189 12.993 1.00 1.61 H new ATOM 0 HG3 GLU A 118 -7.032 -1.972 11.732 1.00 1.61 H new ATOM 1867 N ALA A 119 -12.153 -1.330 10.450 1.00 2.13 N ATOM 1868 CA ALA A 119 -13.279 -0.668 9.779 1.00 2.48 C ATOM 1869 C ALA A 119 -13.309 0.852 10.026 1.00 2.90 C ATOM 1870 O ALA A 119 -14.304 1.395 10.503 1.00 4.09 O ATOM 1871 CB ALA A 119 -14.581 -1.393 10.153 1.00 3.11 C ATOM 0 H ALA A 119 -12.383 -1.676 11.382 1.00 2.13 H new ATOM 0 HA ALA A 119 -13.153 -0.749 8.699 1.00 2.48 H new ATOM 0 HB1 ALA A 119 -15.423 -0.908 9.659 1.00 3.11 H new ATOM 0 HB2 ALA A 119 -14.523 -2.433 9.833 1.00 3.11 H new ATOM 0 HB3 ALA A 119 -14.722 -1.353 11.233 1.00 3.11 H new ATOM 1877 N ARG A 120 -12.220 1.541 9.667 1.00 2.45 N ATOM 1878 CA ARG A 120 -11.966 2.965 9.976 1.00 2.92 C ATOM 1879 C ARG A 120 -10.887 3.584 9.069 1.00 2.99 C ATOM 1880 O ARG A 120 -10.835 3.140 7.897 1.00 3.52 O ATOM 1881 CB ARG A 120 -11.714 3.120 11.497 1.00 4.28 C ATOM 1882 CG ARG A 120 -10.571 2.243 12.062 1.00 5.28 C ATOM 1883 CD ARG A 120 -9.495 3.051 12.791 1.00 6.07 C ATOM 1884 NE ARG A 120 -8.897 3.977 11.828 1.00 5.65 N ATOM 1885 CZ ARG A 120 -7.667 4.052 11.384 1.00 6.21 C ATOM 1886 NH1 ARG A 120 -6.651 3.409 11.875 1.00 7.20 N ATOM 1887 NH2 ARG A 120 -7.492 4.797 10.335 1.00 6.55 N ATOM 1888 OXT ARG A 120 -10.179 4.519 9.503 1.00 3.62 O ATOM 0 H ARG A 120 -11.462 1.114 9.135 1.00 2.45 H new ATOM 0 HA ARG A 120 -12.852 3.555 9.741 1.00 2.92 H new ATOM 0 HB2 ARG A 120 -11.488 4.165 11.708 1.00 4.28 H new ATOM 0 HB3 ARG A 120 -12.634 2.879 12.029 1.00 4.28 H new ATOM 0 HG2 ARG A 120 -10.991 1.508 12.748 1.00 5.28 H new ATOM 0 HG3 ARG A 120 -10.109 1.689 11.245 1.00 5.28 H new ATOM 0 HD2 ARG A 120 -9.930 3.599 13.627 1.00 6.07 H new ATOM 0 HD3 ARG A 120 -8.735 2.388 13.205 1.00 6.07 H new ATOM 0 HE ARG A 120 -9.537 4.671 11.443 1.00 5.65 H new ATOM 0 HH11 ARG A 120 -6.779 2.785 12.671 1.00 7.20 H new ATOM 0 HH12 ARG A 120 -5.725 3.528 11.464 1.00 7.20 H new ATOM 0 HH21 ARG A 120 -8.286 5.277 9.912 1.00 6.55 H new ATOM 0 HH22 ARG A 120 -6.560 4.902 9.934 1.00 6.55 H new