USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 87:sc= 0.991 USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.121 K(o=1.1,f=-1.8!) USER MOD Single : A 11 SER OG : rot -1:sc= 1.19 USER MOD Single : A 15 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.7!) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 78:sc= 0.897 USER MOD Single : A 24 ASN : amide:sc= 0.387 K(o=0.39,f=-6.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 46 HIS : no HE2:sc= -1.68 X(o=-1.7,f=-1.3) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= -0.555! (180deg=-1.74!) USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= 0.749 (180deg=-0.344) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -175:sc= 0 (180deg=-0.0678) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0.0578! (180deg=-0.0131!) USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= 0.114 (180deg=-1.51!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -172:sc= 0 (180deg=-0.111) USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.0212 (180deg=-0.338) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= 0.347 (180deg=-0.0549!) USER MOD Single : A 109 LYS NZ :NH3+ -162:sc= 1.12 (180deg=0.83) USER MOD Single : A 112 LYS NZ :NH3+ 138:sc= -1.09 (180deg=-1.97!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.444 1.439 6.558 1.00 1.16 N ATOM 56 CA GLU A 5 8.545 1.538 7.701 1.00 1.32 C ATOM 57 C GLU A 5 7.131 1.282 7.165 1.00 1.06 C ATOM 58 O GLU A 5 6.465 2.175 6.632 1.00 1.40 O ATOM 59 CB GLU A 5 8.662 2.895 8.447 1.00 2.41 C ATOM 60 CG GLU A 5 9.841 3.815 8.092 1.00 3.04 C ATOM 61 CD GLU A 5 11.194 3.256 8.516 1.00 3.34 C ATOM 62 OE1 GLU A 5 11.737 2.403 7.774 1.00 3.96 O ATOM 63 OE2 GLU A 5 11.723 3.753 9.532 1.00 4.08 O ATOM 0 HA GLU A 5 8.811 0.799 8.457 1.00 1.32 H new ATOM 0 HB2 GLU A 5 7.741 3.451 8.274 1.00 2.41 H new ATOM 0 HB3 GLU A 5 8.712 2.685 9.515 1.00 2.41 H new ATOM 0 HG2 GLU A 5 9.848 3.985 7.015 1.00 3.04 H new ATOM 0 HG3 GLU A 5 9.692 4.784 8.567 1.00 3.04 H new ATOM 70 N GLY A 6 6.745 0.006 7.206 1.00 1.13 N ATOM 71 CA GLY A 6 5.483 -0.546 6.737 1.00 0.99 C ATOM 72 C GLY A 6 5.158 -1.846 7.448 1.00 0.90 C ATOM 73 O GLY A 6 6.022 -2.458 8.073 1.00 1.16 O ATOM 0 H GLY A 6 7.352 -0.715 7.596 1.00 1.13 H new ATOM 0 HA2 GLY A 6 4.682 0.174 6.905 1.00 0.99 H new ATOM 0 HA3 GLY A 6 5.535 -0.719 5.662 1.00 0.99 H new ATOM 77 N TRP A 7 3.904 -2.276 7.341 1.00 0.84 N ATOM 78 CA TRP A 7 3.397 -3.523 7.892 1.00 0.81 C ATOM 79 C TRP A 7 2.126 -3.980 7.157 1.00 0.82 C ATOM 80 O TRP A 7 1.415 -3.181 6.538 1.00 0.87 O ATOM 81 CB TRP A 7 3.184 -3.381 9.403 1.00 0.95 C ATOM 82 CG TRP A 7 2.175 -2.373 9.865 1.00 0.99 C ATOM 83 CD1 TRP A 7 0.927 -2.669 10.283 1.00 1.16 C ATOM 84 CD2 TRP A 7 2.319 -0.926 10.035 1.00 1.27 C ATOM 85 NE1 TRP A 7 0.287 -1.519 10.691 1.00 1.36 N ATOM 86 CE2 TRP A 7 1.095 -0.412 10.562 1.00 1.46 C ATOM 87 CE3 TRP A 7 3.364 0.005 9.832 1.00 1.63 C ATOM 88 CZ2 TRP A 7 0.914 0.945 10.863 1.00 1.88 C ATOM 89 CZ3 TRP A 7 3.184 1.373 10.106 1.00 2.10 C ATOM 90 CH2 TRP A 7 1.966 1.845 10.621 1.00 2.19 C ATOM 0 H TRP A 7 3.188 -1.743 6.848 1.00 0.84 H new ATOM 0 HA TRP A 7 4.138 -4.307 7.737 1.00 0.81 H new ATOM 0 HB2 TRP A 7 2.891 -4.355 9.795 1.00 0.95 H new ATOM 0 HB3 TRP A 7 4.143 -3.130 9.856 1.00 0.95 H new ATOM 0 HD1 TRP A 7 0.495 -3.659 10.296 1.00 1.16 H new ATOM 0 HE1 TRP A 7 -0.669 -1.491 11.045 1.00 1.36 H new ATOM 0 HE3 TRP A 7 4.317 -0.340 9.460 1.00 1.63 H new ATOM 0 HZ2 TRP A 7 -0.021 1.294 11.275 1.00 1.88 H new ATOM 0 HZ3 TRP A 7 3.990 2.067 9.918 1.00 2.10 H new ATOM 0 HH2 TRP A 7 1.838 2.897 10.831 1.00 2.19 H new ATOM 101 N VAL A 8 1.852 -5.280 7.212 1.00 0.88 N ATOM 102 CA VAL A 8 0.632 -5.878 6.640 1.00 0.94 C ATOM 103 C VAL A 8 -0.545 -5.668 7.611 1.00 0.91 C ATOM 104 O VAL A 8 -0.331 -5.422 8.793 1.00 1.34 O ATOM 105 CB VAL A 8 0.845 -7.367 6.271 1.00 1.23 C ATOM 106 CG1 VAL A 8 -0.318 -7.924 5.428 1.00 1.27 C ATOM 107 CG2 VAL A 8 2.140 -7.570 5.458 1.00 1.52 C ATOM 0 H VAL A 8 2.469 -5.960 7.656 1.00 0.88 H new ATOM 0 HA VAL A 8 0.391 -5.375 5.704 1.00 0.94 H new ATOM 0 HB VAL A 8 0.905 -7.899 7.221 1.00 1.23 H new ATOM 0 HG11 VAL A 8 -0.127 -8.971 5.192 1.00 1.27 H new ATOM 0 HG12 VAL A 8 -1.247 -7.843 5.992 1.00 1.27 H new ATOM 0 HG13 VAL A 8 -0.403 -7.353 4.503 1.00 1.27 H new ATOM 0 HG21 VAL A 8 2.256 -8.627 5.217 1.00 1.52 H new ATOM 0 HG22 VAL A 8 2.085 -6.991 4.536 1.00 1.52 H new ATOM 0 HG23 VAL A 8 2.995 -7.236 6.046 1.00 1.52 H new ATOM 117 N ARG A 9 -1.787 -5.734 7.112 1.00 1.00 N ATOM 118 CA ARG A 9 -3.015 -5.479 7.878 1.00 1.14 C ATOM 119 C ARG A 9 -3.493 -6.634 8.787 1.00 1.18 C ATOM 120 O ARG A 9 -4.251 -6.369 9.719 1.00 2.63 O ATOM 121 CB ARG A 9 -4.083 -5.092 6.839 1.00 1.59 C ATOM 122 CG ARG A 9 -5.418 -4.597 7.401 1.00 1.88 C ATOM 123 CD ARG A 9 -6.455 -5.693 7.654 1.00 3.04 C ATOM 124 NE ARG A 9 -7.211 -5.382 8.863 1.00 3.39 N ATOM 125 CZ ARG A 9 -8.337 -5.911 9.297 1.00 4.44 C ATOM 126 NH1 ARG A 9 -8.990 -6.826 8.603 1.00 5.39 N ATOM 127 NH2 ARG A 9 -8.809 -5.507 10.457 1.00 4.94 N ATOM 0 H ARG A 9 -1.970 -5.973 6.137 1.00 1.00 H new ATOM 0 HA ARG A 9 -2.817 -4.686 8.599 1.00 1.14 H new ATOM 0 HB2 ARG A 9 -3.671 -4.314 6.196 1.00 1.59 H new ATOM 0 HB3 ARG A 9 -4.277 -5.958 6.206 1.00 1.59 H new ATOM 0 HG2 ARG A 9 -5.229 -4.072 8.337 1.00 1.88 H new ATOM 0 HG3 ARG A 9 -5.841 -3.870 6.708 1.00 1.88 H new ATOM 0 HD2 ARG A 9 -7.130 -5.773 6.802 1.00 3.04 H new ATOM 0 HD3 ARG A 9 -5.960 -6.658 7.761 1.00 3.04 H new ATOM 0 HE ARG A 9 -6.812 -4.653 9.455 1.00 3.39 H new ATOM 0 HH11 ARG A 9 -8.625 -7.142 7.705 1.00 5.39 H new ATOM 0 HH12 ARG A 9 -9.860 -7.217 8.966 1.00 5.39 H new ATOM 0 HH21 ARG A 9 -8.305 -4.802 10.995 1.00 4.94 H new ATOM 0 HH22 ARG A 9 -9.679 -5.899 10.818 1.00 4.94 H new ATOM 141 N PHE A 10 -3.150 -7.889 8.450 1.00 0.96 N ATOM 142 CA PHE A 10 -3.658 -9.161 8.995 1.00 0.89 C ATOM 143 C PHE A 10 -5.085 -9.446 8.531 1.00 0.81 C ATOM 144 O PHE A 10 -6.037 -8.756 8.885 1.00 1.16 O ATOM 145 CB PHE A 10 -3.584 -9.251 10.528 1.00 1.16 C ATOM 146 CG PHE A 10 -4.119 -10.546 11.098 1.00 1.28 C ATOM 147 CD1 PHE A 10 -3.296 -11.681 11.147 1.00 2.37 C ATOM 148 CD2 PHE A 10 -5.436 -10.611 11.594 1.00 1.63 C ATOM 149 CE1 PHE A 10 -3.777 -12.871 11.722 1.00 2.48 C ATOM 150 CE2 PHE A 10 -5.924 -11.805 12.147 1.00 1.80 C ATOM 151 CZ PHE A 10 -5.089 -12.937 12.219 1.00 1.65 C ATOM 0 H PHE A 10 -2.450 -8.054 7.727 1.00 0.96 H new ATOM 0 HA PHE A 10 -2.989 -9.924 8.595 1.00 0.89 H new ATOM 0 HB2 PHE A 10 -2.546 -9.132 10.838 1.00 1.16 H new ATOM 0 HB3 PHE A 10 -4.143 -8.419 10.957 1.00 1.16 H new ATOM 0 HD1 PHE A 10 -2.295 -11.641 10.744 1.00 2.37 H new ATOM 0 HD2 PHE A 10 -6.072 -9.739 11.549 1.00 1.63 H new ATOM 0 HE1 PHE A 10 -3.135 -13.737 11.782 1.00 2.48 H new ATOM 0 HE2 PHE A 10 -6.938 -11.856 12.517 1.00 1.80 H new ATOM 0 HZ PHE A 10 -5.457 -13.854 12.655 1.00 1.65 H new ATOM 161 N SER A 11 -5.272 -10.508 7.756 1.00 0.70 N ATOM 162 CA SER A 11 -6.569 -11.087 7.372 1.00 0.75 C ATOM 163 C SER A 11 -6.315 -12.500 6.818 1.00 0.77 C ATOM 164 O SER A 11 -5.281 -12.692 6.177 1.00 0.97 O ATOM 165 CB SER A 11 -7.289 -10.212 6.320 1.00 1.12 C ATOM 166 OG SER A 11 -7.611 -8.928 6.836 1.00 2.38 O ATOM 0 H SER A 11 -4.487 -11.020 7.354 1.00 0.70 H new ATOM 0 HA SER A 11 -7.220 -11.133 8.245 1.00 0.75 H new ATOM 0 HB2 SER A 11 -6.653 -10.102 5.441 1.00 1.12 H new ATOM 0 HB3 SER A 11 -8.201 -10.712 5.993 1.00 1.12 H new ATOM 0 HG SER A 11 -7.328 -8.871 7.773 1.00 2.38 H new ATOM 172 N PRO A 12 -7.187 -13.498 7.067 1.00 0.88 N ATOM 173 CA PRO A 12 -6.983 -14.869 6.590 1.00 1.04 C ATOM 174 C PRO A 12 -7.269 -15.014 5.089 1.00 0.91 C ATOM 175 O PRO A 12 -6.733 -15.904 4.436 1.00 1.05 O ATOM 176 CB PRO A 12 -7.964 -15.707 7.410 1.00 1.30 C ATOM 177 CG PRO A 12 -9.121 -14.750 7.687 1.00 1.27 C ATOM 178 CD PRO A 12 -8.414 -13.404 7.852 1.00 1.07 C ATOM 0 HA PRO A 12 -5.947 -15.183 6.714 1.00 1.04 H new ATOM 0 HB2 PRO A 12 -8.296 -16.587 6.859 1.00 1.30 H new ATOM 0 HB3 PRO A 12 -7.510 -16.063 8.335 1.00 1.30 H new ATOM 0 HG2 PRO A 12 -9.837 -14.733 6.866 1.00 1.27 H new ATOM 0 HG3 PRO A 12 -9.672 -15.030 8.585 1.00 1.27 H new ATOM 0 HD2 PRO A 12 -9.042 -12.587 7.498 1.00 1.07 H new ATOM 0 HD3 PRO A 12 -8.193 -13.205 8.901 1.00 1.07 H new ATOM 186 N GLY A 13 -8.121 -14.132 4.564 1.00 0.75 N ATOM 187 CA GLY A 13 -8.678 -14.150 3.214 1.00 0.73 C ATOM 188 C GLY A 13 -10.137 -13.662 3.235 1.00 0.72 C ATOM 189 O GLY A 13 -10.657 -13.393 4.319 1.00 0.80 O ATOM 0 H GLY A 13 -8.461 -13.337 5.106 1.00 0.75 H new ATOM 0 HA2 GLY A 13 -8.083 -13.513 2.559 1.00 0.73 H new ATOM 0 HA3 GLY A 13 -8.630 -15.160 2.806 1.00 0.73 H new ATOM 193 N PRO A 14 -10.803 -13.511 2.072 1.00 0.74 N ATOM 194 CA PRO A 14 -10.253 -13.651 0.726 1.00 0.77 C ATOM 195 C PRO A 14 -9.332 -12.484 0.336 1.00 0.69 C ATOM 196 O PRO A 14 -8.673 -12.557 -0.701 1.00 0.73 O ATOM 197 CB PRO A 14 -11.482 -13.706 -0.188 1.00 0.91 C ATOM 198 CG PRO A 14 -12.488 -12.811 0.533 1.00 0.93 C ATOM 199 CD PRO A 14 -12.203 -13.105 2.005 1.00 0.85 C ATOM 0 HA PRO A 14 -9.625 -14.539 0.649 1.00 0.77 H new ATOM 0 HB2 PRO A 14 -11.258 -13.336 -1.188 1.00 0.91 H new ATOM 0 HB3 PRO A 14 -11.856 -14.724 -0.301 1.00 0.91 H new ATOM 0 HG2 PRO A 14 -12.338 -11.758 0.294 1.00 0.93 H new ATOM 0 HG3 PRO A 14 -13.515 -13.056 0.262 1.00 0.93 H new ATOM 0 HD2 PRO A 14 -12.383 -12.224 2.621 1.00 0.85 H new ATOM 0 HD3 PRO A 14 -12.856 -13.894 2.379 1.00 0.85 H new ATOM 207 N ASN A 15 -9.253 -11.424 1.155 1.00 0.63 N ATOM 208 CA ASN A 15 -8.346 -10.304 0.954 1.00 0.55 C ATOM 209 C ASN A 15 -7.718 -9.784 2.260 1.00 0.55 C ATOM 210 O ASN A 15 -8.103 -10.162 3.367 1.00 0.77 O ATOM 211 CB ASN A 15 -9.052 -9.202 0.132 1.00 0.67 C ATOM 212 CG ASN A 15 -10.191 -8.452 0.818 1.00 1.07 C ATOM 213 OD1 ASN A 15 -10.224 -8.262 2.024 1.00 1.88 O ATOM 214 ND2 ASN A 15 -11.142 -7.958 0.041 1.00 1.47 N ATOM 0 H ASN A 15 -9.833 -11.328 1.989 1.00 0.63 H new ATOM 0 HA ASN A 15 -7.493 -10.661 0.377 1.00 0.55 H new ATOM 0 HB2 ASN A 15 -8.301 -8.473 -0.174 1.00 0.67 H new ATOM 0 HB3 ASN A 15 -9.444 -9.656 -0.778 1.00 0.67 H new ATOM 0 HD21 ASN A 15 -11.905 -7.417 0.449 1.00 1.47 H new ATOM 0 HD22 ASN A 15 -11.112 -8.118 -0.966 1.00 1.47 H new ATOM 221 N ALA A 16 -6.728 -8.912 2.095 1.00 0.47 N ATOM 222 CA ALA A 16 -5.999 -8.179 3.133 1.00 0.50 C ATOM 223 C ALA A 16 -5.681 -6.753 2.645 1.00 0.51 C ATOM 224 O ALA A 16 -6.070 -6.357 1.544 1.00 0.50 O ATOM 225 CB ALA A 16 -4.732 -8.971 3.504 1.00 0.57 C ATOM 0 H ALA A 16 -6.386 -8.680 1.163 1.00 0.47 H new ATOM 0 HA ALA A 16 -6.608 -8.077 4.031 1.00 0.50 H new ATOM 0 HB1 ALA A 16 -4.181 -8.435 4.276 1.00 0.57 H new ATOM 0 HB2 ALA A 16 -5.015 -9.955 3.877 1.00 0.57 H new ATOM 0 HB3 ALA A 16 -4.102 -9.084 2.621 1.00 0.57 H new ATOM 231 N ALA A 17 -4.972 -5.971 3.466 1.00 0.59 N ATOM 232 CA ALA A 17 -4.398 -4.673 3.096 1.00 0.62 C ATOM 233 C ALA A 17 -2.922 -4.604 3.532 1.00 0.66 C ATOM 234 O ALA A 17 -2.475 -5.466 4.292 1.00 0.95 O ATOM 235 CB ALA A 17 -5.235 -3.531 3.684 1.00 0.65 C ATOM 0 H ALA A 17 -4.776 -6.231 4.433 1.00 0.59 H new ATOM 0 HA ALA A 17 -4.423 -4.561 2.012 1.00 0.62 H new ATOM 0 HB1 ALA A 17 -4.796 -2.575 3.400 1.00 0.65 H new ATOM 0 HB2 ALA A 17 -6.253 -3.591 3.300 1.00 0.65 H new ATOM 0 HB3 ALA A 17 -5.252 -3.614 4.771 1.00 0.65 H new ATOM 241 N ALA A 18 -2.184 -3.577 3.106 1.00 0.67 N ATOM 242 CA ALA A 18 -0.782 -3.350 3.467 1.00 0.67 C ATOM 243 C ALA A 18 -0.412 -1.860 3.358 1.00 0.60 C ATOM 244 O ALA A 18 -0.886 -1.155 2.459 1.00 0.60 O ATOM 245 CB ALA A 18 0.120 -4.225 2.582 1.00 0.74 C ATOM 0 H ALA A 18 -2.555 -2.860 2.483 1.00 0.67 H new ATOM 0 HA ALA A 18 -0.631 -3.634 4.508 1.00 0.67 H new ATOM 0 HB1 ALA A 18 1.164 -4.058 2.849 1.00 0.74 H new ATOM 0 HB2 ALA A 18 -0.130 -5.275 2.734 1.00 0.74 H new ATOM 0 HB3 ALA A 18 -0.033 -3.963 1.535 1.00 0.74 H new ATOM 251 N TYR A 19 0.449 -1.401 4.269 1.00 0.62 N ATOM 252 CA TYR A 19 0.931 -0.021 4.403 1.00 0.62 C ATOM 253 C TYR A 19 2.465 -0.008 4.318 1.00 0.71 C ATOM 254 O TYR A 19 3.104 -0.998 4.688 1.00 1.51 O ATOM 255 CB TYR A 19 0.470 0.554 5.758 1.00 0.74 C ATOM 256 CG TYR A 19 -0.880 0.045 6.229 1.00 0.99 C ATOM 257 CD1 TYR A 19 -2.060 0.501 5.613 1.00 1.61 C ATOM 258 CD2 TYR A 19 -0.946 -0.959 7.219 1.00 2.60 C ATOM 259 CE1 TYR A 19 -3.306 -0.042 5.985 1.00 1.66 C ATOM 260 CE2 TYR A 19 -2.184 -1.515 7.587 1.00 3.03 C ATOM 261 CZ TYR A 19 -3.367 -1.053 6.970 1.00 1.87 C ATOM 262 OH TYR A 19 -4.570 -1.583 7.309 1.00 2.36 O ATOM 0 H TYR A 19 0.853 -2.017 4.975 1.00 0.62 H new ATOM 0 HA TYR A 19 0.523 0.593 3.600 1.00 0.62 H new ATOM 0 HB2 TYR A 19 1.218 0.315 6.514 1.00 0.74 H new ATOM 0 HB3 TYR A 19 0.429 1.641 5.683 1.00 0.74 H new ATOM 0 HD1 TYR A 19 -2.011 1.268 4.854 1.00 1.61 H new ATOM 0 HD2 TYR A 19 -0.040 -1.302 7.697 1.00 2.60 H new ATOM 0 HE1 TYR A 19 -4.212 0.314 5.518 1.00 1.66 H new ATOM 0 HE2 TYR A 19 -2.230 -2.291 8.337 1.00 3.03 H new ATOM 0 HH TYR A 19 -5.171 -1.551 6.536 1.00 2.36 H new ATOM 272 N LEU A 20 3.062 1.102 3.864 1.00 1.26 N ATOM 273 CA LEU A 20 4.514 1.226 3.674 1.00 1.31 C ATOM 274 C LEU A 20 4.995 2.665 3.489 1.00 1.23 C ATOM 275 O LEU A 20 4.263 3.545 3.034 1.00 1.15 O ATOM 276 CB LEU A 20 5.014 0.293 2.539 1.00 1.37 C ATOM 277 CG LEU A 20 4.448 0.601 1.133 1.00 1.26 C ATOM 278 CD1 LEU A 20 5.316 1.590 0.338 1.00 2.09 C ATOM 279 CD2 LEU A 20 4.302 -0.697 0.324 1.00 1.45 C ATOM 0 H LEU A 20 2.547 1.947 3.616 1.00 1.26 H new ATOM 0 HA LEU A 20 4.968 0.895 4.608 1.00 1.31 H new ATOM 0 HB2 LEU A 20 6.102 0.351 2.496 1.00 1.37 H new ATOM 0 HB3 LEU A 20 4.760 -0.735 2.798 1.00 1.37 H new ATOM 0 HG LEU A 20 3.475 1.067 1.290 1.00 1.26 H new ATOM 0 HD11 LEU A 20 4.866 1.765 -0.639 1.00 2.09 H new ATOM 0 HD12 LEU A 20 5.383 2.533 0.881 1.00 2.09 H new ATOM 0 HD13 LEU A 20 6.315 1.174 0.208 1.00 2.09 H new ATOM 0 HD21 LEU A 20 3.903 -0.467 -0.664 1.00 1.45 H new ATOM 0 HD22 LEU A 20 5.277 -1.172 0.220 1.00 1.45 H new ATOM 0 HD23 LEU A 20 3.622 -1.374 0.842 1.00 1.45 H new ATOM 291 N THR A 21 6.278 2.858 3.784 1.00 1.31 N ATOM 292 CA THR A 21 7.049 4.061 3.491 1.00 1.24 C ATOM 293 C THR A 21 7.584 4.001 2.063 1.00 1.25 C ATOM 294 O THR A 21 8.308 3.077 1.711 1.00 1.47 O ATOM 295 CB THR A 21 8.171 4.166 4.520 1.00 1.30 C ATOM 296 OG1 THR A 21 7.574 4.617 5.713 1.00 1.79 O ATOM 297 CG2 THR A 21 9.260 5.153 4.125 1.00 1.68 C ATOM 0 H THR A 21 6.834 2.145 4.256 1.00 1.31 H new ATOM 0 HA THR A 21 6.425 4.952 3.559 1.00 1.24 H new ATOM 0 HB THR A 21 8.651 3.192 4.614 1.00 1.30 H new ATOM 0 HG1 THR A 21 7.119 3.869 6.154 1.00 1.79 H new ATOM 0 HG21 THR A 21 10.026 5.179 4.900 1.00 1.68 H new ATOM 0 HG22 THR A 21 9.708 4.842 3.182 1.00 1.68 H new ATOM 0 HG23 THR A 21 8.826 6.146 4.010 1.00 1.68 H new ATOM 305 N LEU A 22 7.266 5.020 1.263 1.00 1.29 N ATOM 306 CA LEU A 22 7.829 5.262 -0.067 1.00 1.58 C ATOM 307 C LEU A 22 8.930 6.322 0.043 1.00 1.24 C ATOM 308 O LEU A 22 8.720 7.374 0.658 1.00 1.18 O ATOM 309 CB LEU A 22 6.696 5.728 -1.006 1.00 2.18 C ATOM 310 CG LEU A 22 6.873 5.482 -2.515 1.00 2.77 C ATOM 311 CD1 LEU A 22 8.124 6.129 -3.126 1.00 3.33 C ATOM 312 CD2 LEU A 22 6.864 3.980 -2.813 1.00 3.02 C ATOM 0 H LEU A 22 6.583 5.727 1.534 1.00 1.29 H new ATOM 0 HA LEU A 22 8.268 4.352 -0.475 1.00 1.58 H new ATOM 0 HB2 LEU A 22 5.776 5.236 -0.691 1.00 2.18 H new ATOM 0 HB3 LEU A 22 6.553 6.798 -0.855 1.00 2.18 H new ATOM 0 HG LEU A 22 6.023 5.972 -2.990 1.00 2.77 H new ATOM 0 HD11 LEU A 22 8.167 5.903 -4.192 1.00 3.33 H new ATOM 0 HD12 LEU A 22 8.081 7.209 -2.985 1.00 3.33 H new ATOM 0 HD13 LEU A 22 9.014 5.735 -2.636 1.00 3.33 H new ATOM 0 HD21 LEU A 22 6.990 3.821 -3.884 1.00 3.02 H new ATOM 0 HD22 LEU A 22 7.681 3.498 -2.276 1.00 3.02 H new ATOM 0 HD23 LEU A 22 5.915 3.551 -2.492 1.00 3.02 H new ATOM 324 N GLU A 23 10.087 6.064 -0.558 1.00 1.17 N ATOM 325 CA GLU A 23 11.211 6.997 -0.587 1.00 0.97 C ATOM 326 C GLU A 23 11.652 7.315 -2.009 1.00 0.98 C ATOM 327 O GLU A 23 11.660 6.455 -2.889 1.00 1.29 O ATOM 328 CB GLU A 23 12.410 6.431 0.167 1.00 1.29 C ATOM 329 CG GLU A 23 12.042 6.061 1.602 1.00 2.34 C ATOM 330 CD GLU A 23 13.250 6.234 2.493 1.00 2.86 C ATOM 331 OE1 GLU A 23 14.274 5.555 2.255 1.00 3.47 O ATOM 332 OE2 GLU A 23 13.125 7.031 3.445 1.00 3.58 O ATOM 0 H GLU A 23 10.274 5.188 -1.046 1.00 1.17 H new ATOM 0 HA GLU A 23 10.861 7.911 -0.108 1.00 0.97 H new ATOM 0 HB2 GLU A 23 12.785 5.549 -0.353 1.00 1.29 H new ATOM 0 HB3 GLU A 23 13.216 7.164 0.174 1.00 1.29 H new ATOM 0 HG2 GLU A 23 11.225 6.691 1.953 1.00 2.34 H new ATOM 0 HG3 GLU A 23 11.690 5.030 1.644 1.00 2.34 H new ATOM 339 N ASN A 24 12.078 8.558 -2.206 1.00 0.87 N ATOM 340 CA ASN A 24 12.524 9.066 -3.491 1.00 0.97 C ATOM 341 C ASN A 24 14.004 9.482 -3.421 1.00 0.95 C ATOM 342 O ASN A 24 14.306 10.672 -3.439 1.00 1.07 O ATOM 343 CB ASN A 24 11.573 10.213 -3.857 1.00 1.14 C ATOM 344 CG ASN A 24 11.498 10.482 -5.346 1.00 1.40 C ATOM 345 OD1 ASN A 24 10.422 10.571 -5.896 1.00 3.22 O ATOM 346 ND2 ASN A 24 12.600 10.587 -6.056 1.00 1.11 N ATOM 0 H ASN A 24 12.122 9.252 -1.460 1.00 0.87 H new ATOM 0 HA ASN A 24 12.485 8.309 -4.275 1.00 0.97 H new ATOM 0 HB2 ASN A 24 10.575 9.979 -3.487 1.00 1.14 H new ATOM 0 HB3 ASN A 24 11.897 11.120 -3.347 1.00 1.14 H new ATOM 0 HD21 ASN A 24 12.545 10.742 -7.063 1.00 1.11 H new ATOM 0 HD22 ASN A 24 13.509 10.513 -5.600 1.00 1.11 H new ATOM 353 N PRO A 25 14.959 8.533 -3.356 1.00 0.99 N ATOM 354 CA PRO A 25 16.385 8.851 -3.252 1.00 1.03 C ATOM 355 C PRO A 25 16.955 9.543 -4.503 1.00 1.00 C ATOM 356 O PRO A 25 17.984 10.211 -4.403 1.00 1.15 O ATOM 357 CB PRO A 25 17.072 7.509 -2.981 1.00 1.18 C ATOM 358 CG PRO A 25 16.122 6.490 -3.615 1.00 1.22 C ATOM 359 CD PRO A 25 14.754 7.093 -3.333 1.00 1.14 C ATOM 0 HA PRO A 25 16.559 9.575 -2.456 1.00 1.03 H new ATOM 0 HB2 PRO A 25 18.064 7.467 -3.431 1.00 1.18 H new ATOM 0 HB3 PRO A 25 17.198 7.331 -1.913 1.00 1.18 H new ATOM 0 HG2 PRO A 25 16.303 6.377 -4.684 1.00 1.22 H new ATOM 0 HG3 PRO A 25 16.230 5.502 -3.168 1.00 1.22 H new ATOM 0 HD2 PRO A 25 14.026 6.787 -4.085 1.00 1.14 H new ATOM 0 HD3 PRO A 25 14.371 6.765 -2.367 1.00 1.14 H new ATOM 367 N GLY A 26 16.290 9.433 -5.661 1.00 0.89 N ATOM 368 CA GLY A 26 16.661 10.129 -6.885 1.00 0.95 C ATOM 369 C GLY A 26 16.276 11.603 -6.872 1.00 0.99 C ATOM 370 O GLY A 26 15.564 12.102 -6.003 1.00 1.34 O ATOM 0 H GLY A 26 15.464 8.844 -5.768 1.00 0.89 H new ATOM 0 HA2 GLY A 26 17.737 10.042 -7.034 1.00 0.95 H new ATOM 0 HA3 GLY A 26 16.181 9.641 -7.733 1.00 0.95 H new ATOM 374 N ASP A 27 16.796 12.286 -7.876 1.00 1.05 N ATOM 375 CA ASP A 27 16.806 13.734 -8.075 1.00 1.51 C ATOM 376 C ASP A 27 15.657 14.221 -8.973 1.00 1.57 C ATOM 377 O ASP A 27 15.437 15.415 -9.153 1.00 1.89 O ATOM 378 CB ASP A 27 18.178 14.034 -8.688 1.00 1.87 C ATOM 379 CG ASP A 27 19.286 13.733 -7.678 1.00 2.23 C ATOM 380 OD1 ASP A 27 19.632 14.629 -6.883 1.00 3.15 O ATOM 381 OD2 ASP A 27 19.663 12.544 -7.534 1.00 2.70 O ATOM 0 H ASP A 27 17.265 11.804 -8.643 1.00 1.05 H new ATOM 0 HA ASP A 27 16.650 14.264 -7.135 1.00 1.51 H new ATOM 0 HB2 ASP A 27 18.322 13.434 -9.586 1.00 1.87 H new ATOM 0 HB3 ASP A 27 18.228 15.080 -8.992 1.00 1.87 H new ATOM 386 N LEU A 28 14.896 13.260 -9.498 1.00 1.30 N ATOM 387 CA LEU A 28 13.662 13.424 -10.254 1.00 1.33 C ATOM 388 C LEU A 28 12.535 12.647 -9.538 1.00 1.10 C ATOM 389 O LEU A 28 12.827 11.754 -8.731 1.00 0.96 O ATOM 390 CB LEU A 28 13.907 12.898 -11.680 1.00 1.48 C ATOM 391 CG LEU A 28 14.994 13.645 -12.484 1.00 3.02 C ATOM 392 CD1 LEU A 28 15.223 12.920 -13.817 1.00 3.75 C ATOM 393 CD2 LEU A 28 14.603 15.104 -12.758 1.00 4.66 C ATOM 0 H LEU A 28 15.148 12.277 -9.396 1.00 1.30 H new ATOM 0 HA LEU A 28 13.360 14.469 -10.315 1.00 1.33 H new ATOM 0 HB2 LEU A 28 14.184 11.846 -11.618 1.00 1.48 H new ATOM 0 HB3 LEU A 28 12.970 12.949 -12.234 1.00 1.48 H new ATOM 0 HG LEU A 28 15.908 13.651 -11.889 1.00 3.02 H new ATOM 0 HD11 LEU A 28 15.990 13.443 -14.389 1.00 3.75 H new ATOM 0 HD12 LEU A 28 15.549 11.898 -13.624 1.00 3.75 H new ATOM 0 HD13 LEU A 28 14.294 12.903 -14.386 1.00 3.75 H new ATOM 0 HD21 LEU A 28 15.395 15.592 -13.326 1.00 4.66 H new ATOM 0 HD22 LEU A 28 13.676 15.131 -13.331 1.00 4.66 H new ATOM 0 HD23 LEU A 28 14.460 15.626 -11.812 1.00 4.66 H new ATOM 405 N PRO A 29 11.255 12.961 -9.803 1.00 1.14 N ATOM 406 CA PRO A 29 10.141 12.455 -9.020 1.00 1.04 C ATOM 407 C PRO A 29 9.770 11.034 -9.455 1.00 0.95 C ATOM 408 O PRO A 29 9.812 10.696 -10.641 1.00 1.13 O ATOM 409 CB PRO A 29 8.997 13.445 -9.254 1.00 1.21 C ATOM 410 CG PRO A 29 9.266 13.984 -10.660 1.00 1.37 C ATOM 411 CD PRO A 29 10.778 13.837 -10.860 1.00 1.29 C ATOM 0 HA PRO A 29 10.383 12.382 -7.960 1.00 1.04 H new ATOM 0 HB2 PRO A 29 8.025 12.956 -9.192 1.00 1.21 H new ATOM 0 HB3 PRO A 29 9.000 14.243 -8.512 1.00 1.21 H new ATOM 0 HG2 PRO A 29 8.712 13.421 -11.411 1.00 1.37 H new ATOM 0 HG3 PRO A 29 8.956 15.025 -10.749 1.00 1.37 H new ATOM 0 HD2 PRO A 29 11.000 13.416 -11.841 1.00 1.29 H new ATOM 0 HD3 PRO A 29 11.271 14.808 -10.810 1.00 1.29 H new ATOM 419 N LEU A 30 9.390 10.213 -8.477 1.00 0.80 N ATOM 420 CA LEU A 30 8.842 8.876 -8.684 1.00 0.72 C ATOM 421 C LEU A 30 7.314 8.870 -8.713 1.00 0.65 C ATOM 422 O LEU A 30 6.635 9.661 -8.065 1.00 0.71 O ATOM 423 CB LEU A 30 9.353 7.914 -7.595 1.00 0.72 C ATOM 424 CG LEU A 30 10.787 7.434 -7.839 1.00 0.80 C ATOM 425 CD1 LEU A 30 11.330 6.784 -6.562 1.00 1.83 C ATOM 426 CD2 LEU A 30 10.885 6.418 -8.985 1.00 1.63 C ATOM 0 H LEU A 30 9.457 10.468 -7.492 1.00 0.80 H new ATOM 0 HA LEU A 30 9.187 8.538 -9.661 1.00 0.72 H new ATOM 0 HB2 LEU A 30 9.303 8.412 -6.627 1.00 0.72 H new ATOM 0 HB3 LEU A 30 8.691 7.050 -7.543 1.00 0.72 H new ATOM 0 HG LEU A 30 11.374 8.309 -8.118 1.00 0.80 H new ATOM 0 HD11 LEU A 30 12.351 6.442 -6.734 1.00 1.83 H new ATOM 0 HD12 LEU A 30 11.323 7.513 -5.752 1.00 1.83 H new ATOM 0 HD13 LEU A 30 10.703 5.934 -6.291 1.00 1.83 H new ATOM 0 HD21 LEU A 30 11.924 6.113 -9.113 1.00 1.63 H new ATOM 0 HD22 LEU A 30 10.277 5.545 -8.750 1.00 1.63 H new ATOM 0 HD23 LEU A 30 10.525 6.874 -9.907 1.00 1.63 H new ATOM 438 N ARG A 31 6.809 7.865 -9.422 1.00 0.58 N ATOM 439 CA ARG A 31 5.375 7.593 -9.602 1.00 0.51 C ATOM 440 C ARG A 31 5.088 6.108 -9.451 1.00 0.49 C ATOM 441 O ARG A 31 5.537 5.312 -10.276 1.00 0.56 O ATOM 442 CB ARG A 31 4.904 8.075 -10.976 1.00 0.51 C ATOM 443 CG ARG A 31 3.362 8.090 -11.064 1.00 0.58 C ATOM 444 CD ARG A 31 2.824 8.827 -12.297 1.00 0.59 C ATOM 445 NE ARG A 31 3.206 10.244 -12.243 1.00 1.04 N ATOM 446 CZ ARG A 31 3.266 11.144 -13.206 1.00 1.07 C ATOM 447 NH1 ARG A 31 2.825 10.905 -14.426 1.00 1.66 N ATOM 448 NH2 ARG A 31 3.795 12.314 -12.938 1.00 1.73 N ATOM 0 H ARG A 31 7.402 7.191 -9.906 1.00 0.58 H new ATOM 0 HA ARG A 31 4.829 8.137 -8.831 1.00 0.51 H new ATOM 0 HB2 ARG A 31 5.291 9.076 -11.166 1.00 0.51 H new ATOM 0 HB3 ARG A 31 5.309 7.424 -11.751 1.00 0.51 H new ATOM 0 HG2 ARG A 31 2.997 7.063 -11.077 1.00 0.58 H new ATOM 0 HG3 ARG A 31 2.960 8.560 -10.166 1.00 0.58 H new ATOM 0 HD2 ARG A 31 3.219 8.370 -13.205 1.00 0.59 H new ATOM 0 HD3 ARG A 31 1.739 8.736 -12.340 1.00 0.59 H new ATOM 0 HE ARG A 31 3.465 10.585 -11.317 1.00 1.04 H new ATOM 0 HH11 ARG A 31 2.419 9.997 -14.653 1.00 1.66 H new ATOM 0 HH12 ARG A 31 2.890 11.628 -15.142 1.00 1.66 H new ATOM 0 HH21 ARG A 31 4.149 12.511 -12.002 1.00 1.73 H new ATOM 0 HH22 ARG A 31 3.853 13.026 -13.666 1.00 1.73 H new ATOM 462 N LEU A 32 4.362 5.738 -8.401 1.00 0.45 N ATOM 463 CA LEU A 32 4.091 4.369 -7.962 1.00 0.44 C ATOM 464 C LEU A 32 2.683 3.978 -8.426 1.00 0.46 C ATOM 465 O LEU A 32 1.705 4.522 -7.928 1.00 0.51 O ATOM 466 CB LEU A 32 4.235 4.399 -6.430 1.00 0.48 C ATOM 467 CG LEU A 32 4.301 3.072 -5.643 1.00 0.72 C ATOM 468 CD1 LEU A 32 3.776 3.303 -4.215 1.00 1.91 C ATOM 469 CD2 LEU A 32 3.536 1.894 -6.246 1.00 1.59 C ATOM 0 H LEU A 32 3.918 6.428 -7.794 1.00 0.45 H new ATOM 0 HA LEU A 32 4.770 3.625 -8.379 1.00 0.44 H new ATOM 0 HB2 LEU A 32 5.140 4.960 -6.199 1.00 0.48 H new ATOM 0 HB3 LEU A 32 3.395 4.971 -6.035 1.00 0.48 H new ATOM 0 HG LEU A 32 5.353 2.788 -5.671 1.00 0.72 H new ATOM 0 HD11 LEU A 32 3.821 2.369 -3.655 1.00 1.91 H new ATOM 0 HD12 LEU A 32 4.391 4.053 -3.718 1.00 1.91 H new ATOM 0 HD13 LEU A 32 2.744 3.651 -4.259 1.00 1.91 H new ATOM 0 HD21 LEU A 32 3.655 1.018 -5.608 1.00 1.59 H new ATOM 0 HD22 LEU A 32 2.479 2.147 -6.322 1.00 1.59 H new ATOM 0 HD23 LEU A 32 3.929 1.675 -7.239 1.00 1.59 H new ATOM 481 N VAL A 33 2.579 3.040 -9.364 1.00 0.46 N ATOM 482 CA VAL A 33 1.323 2.719 -10.072 1.00 0.48 C ATOM 483 C VAL A 33 0.650 1.435 -9.552 1.00 0.52 C ATOM 484 O VAL A 33 -0.566 1.301 -9.637 1.00 0.61 O ATOM 485 CB VAL A 33 1.537 2.633 -11.605 1.00 0.51 C ATOM 486 CG1 VAL A 33 2.141 3.940 -12.160 1.00 0.55 C ATOM 487 CG2 VAL A 33 2.447 1.477 -12.067 1.00 0.55 C ATOM 0 H VAL A 33 3.369 2.469 -9.664 1.00 0.46 H new ATOM 0 HA VAL A 33 0.645 3.546 -9.860 1.00 0.48 H new ATOM 0 HB VAL A 33 0.536 2.452 -11.996 1.00 0.51 H new ATOM 0 HG11 VAL A 33 2.279 3.848 -13.237 1.00 0.55 H new ATOM 0 HG12 VAL A 33 1.467 4.770 -11.950 1.00 0.55 H new ATOM 0 HG13 VAL A 33 3.104 4.126 -11.685 1.00 0.55 H new ATOM 0 HG21 VAL A 33 2.538 1.497 -13.153 1.00 0.55 H new ATOM 0 HG22 VAL A 33 3.434 1.589 -11.618 1.00 0.55 H new ATOM 0 HG23 VAL A 33 2.013 0.526 -11.757 1.00 0.55 H new ATOM 497 N GLY A 34 1.438 0.481 -9.037 1.00 0.49 N ATOM 498 CA GLY A 34 0.965 -0.793 -8.486 1.00 0.54 C ATOM 499 C GLY A 34 1.985 -1.465 -7.579 1.00 0.49 C ATOM 500 O GLY A 34 3.055 -0.926 -7.305 1.00 0.45 O ATOM 0 H GLY A 34 2.452 0.579 -8.992 1.00 0.49 H new ATOM 0 HA2 GLY A 34 0.046 -0.621 -7.925 1.00 0.54 H new ATOM 0 HA3 GLY A 34 0.717 -1.467 -9.306 1.00 0.54 H new ATOM 504 N ALA A 35 1.655 -2.677 -7.144 1.00 0.52 N ATOM 505 CA ALA A 35 2.592 -3.586 -6.494 1.00 0.46 C ATOM 506 C ALA A 35 2.475 -5.009 -7.079 1.00 0.42 C ATOM 507 O ALA A 35 1.663 -5.282 -7.964 1.00 0.48 O ATOM 508 CB ALA A 35 2.353 -3.534 -4.973 1.00 0.57 C ATOM 0 H ALA A 35 0.714 -3.061 -7.235 1.00 0.52 H new ATOM 0 HA ALA A 35 3.619 -3.274 -6.685 1.00 0.46 H new ATOM 0 HB1 ALA A 35 3.047 -4.209 -4.472 1.00 0.57 H new ATOM 0 HB2 ALA A 35 2.513 -2.517 -4.614 1.00 0.57 H new ATOM 0 HB3 ALA A 35 1.329 -3.839 -4.755 1.00 0.57 H new ATOM 514 N ARG A 36 3.276 -5.914 -6.527 1.00 0.40 N ATOM 515 CA ARG A 36 3.168 -7.369 -6.561 1.00 0.42 C ATOM 516 C ARG A 36 3.542 -7.890 -5.165 1.00 0.42 C ATOM 517 O ARG A 36 3.820 -7.104 -4.260 1.00 0.62 O ATOM 518 CB ARG A 36 4.062 -7.947 -7.686 1.00 0.56 C ATOM 519 CG ARG A 36 3.255 -8.488 -8.873 1.00 1.12 C ATOM 520 CD ARG A 36 2.486 -9.776 -8.523 1.00 2.45 C ATOM 521 NE ARG A 36 1.479 -10.117 -9.548 1.00 3.26 N ATOM 522 CZ ARG A 36 0.366 -10.820 -9.343 1.00 4.77 C ATOM 523 NH1 ARG A 36 0.089 -11.400 -8.196 1.00 5.74 N ATOM 524 NH2 ARG A 36 -0.531 -10.949 -10.294 1.00 5.81 N ATOM 0 H ARG A 36 4.095 -5.620 -5.994 1.00 0.40 H new ATOM 0 HA ARG A 36 2.153 -7.692 -6.794 1.00 0.42 H new ATOM 0 HB2 ARG A 36 4.741 -7.170 -8.039 1.00 0.56 H new ATOM 0 HB3 ARG A 36 4.679 -8.748 -7.278 1.00 0.56 H new ATOM 0 HG2 ARG A 36 2.550 -7.727 -9.206 1.00 1.12 H new ATOM 0 HG3 ARG A 36 3.929 -8.686 -9.707 1.00 1.12 H new ATOM 0 HD2 ARG A 36 3.190 -10.601 -8.419 1.00 2.45 H new ATOM 0 HD3 ARG A 36 1.994 -9.653 -7.558 1.00 2.45 H new ATOM 0 HE ARG A 36 1.651 -9.785 -10.497 1.00 3.26 H new ATOM 0 HH11 ARG A 36 0.740 -11.322 -7.415 1.00 5.74 H new ATOM 0 HH12 ARG A 36 -0.777 -11.928 -8.088 1.00 5.74 H new ATOM 0 HH21 ARG A 36 -0.379 -10.508 -11.201 1.00 5.81 H new ATOM 0 HH22 ARG A 36 -1.379 -11.490 -10.125 1.00 5.81 H new ATOM 538 N THR A 37 3.494 -9.208 -4.981 1.00 0.45 N ATOM 539 CA THR A 37 3.621 -9.945 -3.717 1.00 0.43 C ATOM 540 C THR A 37 3.409 -11.422 -4.044 1.00 0.46 C ATOM 541 O THR A 37 2.653 -11.708 -4.978 1.00 0.53 O ATOM 542 CB THR A 37 2.634 -9.436 -2.646 1.00 0.52 C ATOM 543 OG1 THR A 37 2.575 -10.346 -1.580 1.00 0.78 O ATOM 544 CG2 THR A 37 1.189 -9.262 -3.122 1.00 0.57 C ATOM 0 H THR A 37 3.355 -9.840 -5.769 1.00 0.45 H new ATOM 0 HA THR A 37 4.609 -9.791 -3.283 1.00 0.43 H new ATOM 0 HB THR A 37 3.025 -8.457 -2.369 1.00 0.52 H new ATOM 0 HG1 THR A 37 1.948 -10.016 -0.903 1.00 0.78 H new ATOM 0 HG21 THR A 37 0.575 -8.901 -2.297 1.00 0.57 H new ATOM 0 HG22 THR A 37 1.159 -8.541 -3.939 1.00 0.57 H new ATOM 0 HG23 THR A 37 0.803 -10.220 -3.470 1.00 0.57 H new ATOM 552 N PRO A 38 4.001 -12.367 -3.295 1.00 0.55 N ATOM 553 CA PRO A 38 3.755 -13.793 -3.485 1.00 0.62 C ATOM 554 C PRO A 38 2.450 -14.287 -2.854 1.00 0.64 C ATOM 555 O PRO A 38 2.089 -15.441 -3.055 1.00 0.74 O ATOM 556 CB PRO A 38 4.975 -14.463 -2.861 1.00 0.70 C ATOM 557 CG PRO A 38 5.402 -13.517 -1.743 1.00 0.76 C ATOM 558 CD PRO A 38 5.049 -12.144 -2.306 1.00 0.67 C ATOM 0 HA PRO A 38 3.626 -14.032 -4.541 1.00 0.62 H new ATOM 0 HB2 PRO A 38 4.729 -15.451 -2.472 1.00 0.70 H new ATOM 0 HB3 PRO A 38 5.772 -14.597 -3.593 1.00 0.70 H new ATOM 0 HG2 PRO A 38 4.869 -13.722 -0.814 1.00 0.76 H new ATOM 0 HG3 PRO A 38 6.467 -13.603 -1.525 1.00 0.76 H new ATOM 0 HD2 PRO A 38 4.703 -11.477 -1.516 1.00 0.67 H new ATOM 0 HD3 PRO A 38 5.921 -11.674 -2.762 1.00 0.67 H new ATOM 566 N VAL A 39 1.758 -13.449 -2.079 1.00 0.67 N ATOM 567 CA VAL A 39 0.596 -13.840 -1.258 1.00 0.70 C ATOM 568 C VAL A 39 -0.711 -13.110 -1.605 1.00 0.61 C ATOM 569 O VAL A 39 -1.566 -12.912 -0.750 1.00 0.66 O ATOM 570 CB VAL A 39 0.932 -13.719 0.242 1.00 0.75 C ATOM 571 CG1 VAL A 39 2.005 -14.728 0.676 1.00 0.97 C ATOM 572 CG2 VAL A 39 1.337 -12.286 0.597 1.00 0.71 C ATOM 0 H VAL A 39 1.989 -12.459 -1.999 1.00 0.67 H new ATOM 0 HA VAL A 39 0.398 -14.884 -1.501 1.00 0.70 H new ATOM 0 HB VAL A 39 0.027 -13.962 0.798 1.00 0.75 H new ATOM 0 HG11 VAL A 39 2.210 -14.606 1.740 1.00 0.97 H new ATOM 0 HG12 VAL A 39 1.649 -15.741 0.489 1.00 0.97 H new ATOM 0 HG13 VAL A 39 2.919 -14.554 0.108 1.00 0.97 H new ATOM 0 HG21 VAL A 39 1.569 -12.226 1.660 1.00 0.71 H new ATOM 0 HG22 VAL A 39 2.215 -12.002 0.017 1.00 0.71 H new ATOM 0 HG23 VAL A 39 0.515 -11.608 0.366 1.00 0.71 H new ATOM 582 N ALA A 40 -0.886 -12.759 -2.880 1.00 0.59 N ATOM 583 CA ALA A 40 -2.145 -12.279 -3.473 1.00 0.56 C ATOM 584 C ALA A 40 -2.161 -12.511 -4.996 1.00 0.65 C ATOM 585 O ALA A 40 -1.163 -12.250 -5.671 1.00 0.92 O ATOM 586 CB ALA A 40 -2.278 -10.785 -3.169 1.00 0.54 C ATOM 0 H ALA A 40 -0.126 -12.801 -3.559 1.00 0.59 H new ATOM 0 HA ALA A 40 -2.982 -12.831 -3.045 1.00 0.56 H new ATOM 0 HB1 ALA A 40 -3.205 -10.407 -3.600 1.00 0.54 H new ATOM 0 HB2 ALA A 40 -2.291 -10.633 -2.090 1.00 0.54 H new ATOM 0 HB3 ALA A 40 -1.433 -10.249 -3.601 1.00 0.54 H new ATOM 592 N GLU A 41 -3.289 -12.953 -5.549 1.00 0.69 N ATOM 593 CA GLU A 41 -3.503 -13.087 -6.994 1.00 0.77 C ATOM 594 C GLU A 41 -3.386 -11.733 -7.708 1.00 0.71 C ATOM 595 O GLU A 41 -2.796 -11.615 -8.784 1.00 0.99 O ATOM 596 CB GLU A 41 -4.916 -13.656 -7.225 1.00 0.90 C ATOM 597 CG GLU A 41 -5.102 -14.263 -8.617 1.00 1.08 C ATOM 598 CD GLU A 41 -4.394 -15.609 -8.667 1.00 1.59 C ATOM 599 OE1 GLU A 41 -3.163 -15.632 -8.885 1.00 2.88 O ATOM 600 OE2 GLU A 41 -5.004 -16.618 -8.253 1.00 2.38 O ATOM 0 H GLU A 41 -4.098 -13.235 -4.996 1.00 0.69 H new ATOM 0 HA GLU A 41 -2.740 -13.750 -7.400 1.00 0.77 H new ATOM 0 HB2 GLU A 41 -5.121 -14.418 -6.473 1.00 0.90 H new ATOM 0 HB3 GLU A 41 -5.648 -12.862 -7.081 1.00 0.90 H new ATOM 0 HG2 GLU A 41 -6.163 -14.387 -8.835 1.00 1.08 H new ATOM 0 HG3 GLU A 41 -4.696 -13.595 -9.377 1.00 1.08 H new ATOM 607 N ARG A 42 -3.927 -10.700 -7.064 1.00 0.62 N ATOM 608 CA ARG A 42 -4.184 -9.367 -7.556 1.00 0.67 C ATOM 609 C ARG A 42 -3.928 -8.418 -6.381 1.00 0.62 C ATOM 610 O ARG A 42 -4.192 -8.747 -5.231 1.00 0.91 O ATOM 611 CB ARG A 42 -5.644 -9.416 -8.033 1.00 0.79 C ATOM 612 CG ARG A 42 -6.264 -8.077 -8.416 1.00 2.20 C ATOM 613 CD ARG A 42 -7.655 -8.340 -9.021 1.00 2.04 C ATOM 614 NE ARG A 42 -8.285 -7.113 -9.524 1.00 3.72 N ATOM 615 CZ ARG A 42 -9.121 -6.964 -10.543 1.00 4.39 C ATOM 616 NH1 ARG A 42 -9.563 -7.978 -11.260 1.00 4.02 N ATOM 617 NH2 ARG A 42 -9.517 -5.748 -10.838 1.00 6.12 N ATOM 0 H ARG A 42 -4.221 -10.795 -6.092 1.00 0.62 H new ATOM 0 HA ARG A 42 -3.559 -9.021 -8.379 1.00 0.67 H new ATOM 0 HB2 ARG A 42 -5.702 -10.081 -8.894 1.00 0.79 H new ATOM 0 HB3 ARG A 42 -6.249 -9.862 -7.244 1.00 0.79 H new ATOM 0 HG2 ARG A 42 -6.347 -7.433 -7.540 1.00 2.20 H new ATOM 0 HG3 ARG A 42 -5.630 -7.557 -9.135 1.00 2.20 H new ATOM 0 HD2 ARG A 42 -7.565 -9.059 -9.835 1.00 2.04 H new ATOM 0 HD3 ARG A 42 -8.298 -8.792 -8.266 1.00 2.04 H new ATOM 0 HE ARG A 42 -8.047 -6.258 -9.021 1.00 3.72 H new ATOM 0 HH11 ARG A 42 -9.263 -8.928 -11.040 1.00 4.02 H new ATOM 0 HH12 ARG A 42 -10.205 -7.813 -12.035 1.00 4.02 H new ATOM 0 HH21 ARG A 42 -9.182 -4.956 -10.290 1.00 6.12 H new ATOM 0 HH22 ARG A 42 -10.160 -5.595 -11.615 1.00 6.12 H new ATOM 631 N VAL A 43 -3.376 -7.244 -6.645 1.00 0.53 N ATOM 632 CA VAL A 43 -3.098 -6.210 -5.634 1.00 0.58 C ATOM 633 C VAL A 43 -3.388 -4.847 -6.260 1.00 0.78 C ATOM 634 O VAL A 43 -3.053 -4.627 -7.424 1.00 1.09 O ATOM 635 CB VAL A 43 -1.654 -6.301 -5.095 1.00 0.75 C ATOM 636 CG1 VAL A 43 -0.580 -6.055 -6.168 1.00 0.97 C ATOM 637 CG2 VAL A 43 -1.388 -5.353 -3.919 1.00 0.94 C ATOM 0 H VAL A 43 -3.099 -6.968 -7.587 1.00 0.53 H new ATOM 0 HA VAL A 43 -3.743 -6.362 -4.768 1.00 0.58 H new ATOM 0 HB VAL A 43 -1.576 -7.332 -4.750 1.00 0.75 H new ATOM 0 HG11 VAL A 43 0.409 -6.135 -5.717 1.00 0.97 H new ATOM 0 HG12 VAL A 43 -0.679 -6.798 -6.959 1.00 0.97 H new ATOM 0 HG13 VAL A 43 -0.708 -5.058 -6.589 1.00 0.97 H new ATOM 0 HG21 VAL A 43 -0.356 -5.466 -3.587 1.00 0.94 H new ATOM 0 HG22 VAL A 43 -1.557 -4.324 -4.236 1.00 0.94 H new ATOM 0 HG23 VAL A 43 -2.062 -5.595 -3.097 1.00 0.94 H new ATOM 647 N GLU A 44 -4.042 -3.968 -5.506 1.00 0.73 N ATOM 648 CA GLU A 44 -4.564 -2.681 -5.981 1.00 0.80 C ATOM 649 C GLU A 44 -4.427 -1.638 -4.884 1.00 0.75 C ATOM 650 O GLU A 44 -4.732 -1.934 -3.729 1.00 0.82 O ATOM 651 CB GLU A 44 -6.062 -2.807 -6.292 1.00 0.82 C ATOM 652 CG GLU A 44 -6.320 -3.596 -7.575 1.00 1.49 C ATOM 653 CD GLU A 44 -7.788 -3.985 -7.733 1.00 1.93 C ATOM 654 OE1 GLU A 44 -8.571 -3.862 -6.767 1.00 2.32 O ATOM 655 OE2 GLU A 44 -8.121 -4.478 -8.837 1.00 2.98 O ATOM 0 H GLU A 44 -4.231 -4.132 -4.517 1.00 0.73 H new ATOM 0 HA GLU A 44 -4.004 -2.393 -6.871 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -6.565 -3.298 -5.458 1.00 0.82 H new ATOM 0 HB3 GLU A 44 -6.497 -1.812 -6.386 1.00 0.82 H new ATOM 0 HG2 GLU A 44 -6.010 -3.000 -8.433 1.00 1.49 H new ATOM 0 HG3 GLU A 44 -5.706 -4.497 -7.574 1.00 1.49 H new ATOM 662 N LEU A 45 -4.020 -0.415 -5.225 1.00 1.05 N ATOM 663 CA LEU A 45 -4.004 0.671 -4.245 1.00 1.13 C ATOM 664 C LEU A 45 -5.334 1.413 -4.143 1.00 0.86 C ATOM 665 O LEU A 45 -5.968 1.797 -5.129 1.00 0.79 O ATOM 666 CB LEU A 45 -2.821 1.631 -4.387 1.00 1.88 C ATOM 667 CG LEU A 45 -2.871 2.631 -5.542 1.00 0.52 C ATOM 668 CD1 LEU A 45 -1.737 3.644 -5.360 1.00 1.43 C ATOM 669 CD2 LEU A 45 -2.741 1.975 -6.927 1.00 1.81 C ATOM 0 H LEU A 45 -3.701 -0.154 -6.158 1.00 1.05 H new ATOM 0 HA LEU A 45 -3.855 0.163 -3.292 1.00 1.13 H new ATOM 0 HB2 LEU A 45 -2.727 2.192 -3.457 1.00 1.88 H new ATOM 0 HB3 LEU A 45 -1.914 1.036 -4.493 1.00 1.88 H new ATOM 0 HG LEU A 45 -3.850 3.109 -5.512 1.00 0.52 H new ATOM 0 HD11 LEU A 45 -1.759 4.365 -6.177 1.00 1.43 H new ATOM 0 HD12 LEU A 45 -1.864 4.166 -4.412 1.00 1.43 H new ATOM 0 HD13 LEU A 45 -0.780 3.123 -5.362 1.00 1.43 H new ATOM 0 HD21 LEU A 45 -2.785 2.743 -7.699 1.00 1.81 H new ATOM 0 HD22 LEU A 45 -1.789 1.449 -6.992 1.00 1.81 H new ATOM 0 HD23 LEU A 45 -3.557 1.268 -7.073 1.00 1.81 H new ATOM 681 N HIS A 46 -5.712 1.648 -2.898 1.00 0.83 N ATOM 682 CA HIS A 46 -6.873 2.389 -2.453 1.00 0.72 C ATOM 683 C HIS A 46 -6.459 3.629 -1.666 1.00 0.70 C ATOM 684 O HIS A 46 -5.406 3.669 -1.030 1.00 0.77 O ATOM 685 CB HIS A 46 -7.725 1.488 -1.545 1.00 0.73 C ATOM 686 CG HIS A 46 -8.297 0.236 -2.151 1.00 0.72 C ATOM 687 ND1 HIS A 46 -8.894 -0.766 -1.410 1.00 0.75 N ATOM 688 CD2 HIS A 46 -8.231 -0.186 -3.447 1.00 0.78 C ATOM 689 CE1 HIS A 46 -9.094 -1.799 -2.235 1.00 0.92 C ATOM 690 NE2 HIS A 46 -8.723 -1.475 -3.488 1.00 0.95 N ATOM 0 H HIS A 46 -5.168 1.295 -2.111 1.00 0.83 H new ATOM 0 HA HIS A 46 -7.442 2.702 -3.329 1.00 0.72 H new ATOM 0 HB2 HIS A 46 -7.115 1.199 -0.689 1.00 0.73 H new ATOM 0 HB3 HIS A 46 -8.552 2.084 -1.160 1.00 0.73 H new ATOM 0 HD1 HIS A 46 -9.136 -0.725 -0.420 1.00 0.75 H new ATOM 0 HD2 HIS A 46 -7.862 0.384 -4.287 1.00 0.78 H new ATOM 0 HE1 HIS A 46 -9.496 -2.757 -1.939 1.00 0.92 H new ATOM 698 N GLU A 47 -7.354 4.598 -1.682 1.00 0.60 N ATOM 699 CA GLU A 47 -7.437 5.714 -0.748 1.00 0.58 C ATOM 700 C GLU A 47 -8.572 5.482 0.269 1.00 0.63 C ATOM 701 O GLU A 47 -9.487 4.686 0.003 1.00 0.76 O ATOM 702 CB GLU A 47 -7.544 7.014 -1.566 1.00 0.44 C ATOM 703 CG GLU A 47 -8.805 7.231 -2.426 1.00 0.45 C ATOM 704 CD GLU A 47 -10.019 7.745 -1.670 1.00 1.49 C ATOM 705 OE1 GLU A 47 -9.863 8.041 -0.472 1.00 2.91 O ATOM 706 OE2 GLU A 47 -11.096 7.840 -2.296 1.00 2.27 O ATOM 0 H GLU A 47 -8.089 4.633 -2.389 1.00 0.60 H new ATOM 0 HA GLU A 47 -6.540 5.800 -0.134 1.00 0.58 H new ATOM 0 HB2 GLU A 47 -7.466 7.851 -0.873 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -6.678 7.065 -2.226 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -8.566 7.936 -3.222 1.00 0.45 H new ATOM 0 HG3 GLU A 47 -9.067 6.287 -2.904 1.00 0.45 H new ATOM 713 N THR A 48 -8.465 6.122 1.444 1.00 0.67 N ATOM 714 CA THR A 48 -9.514 6.150 2.477 1.00 0.67 C ATOM 715 C THR A 48 -9.754 7.618 2.831 1.00 0.66 C ATOM 716 O THR A 48 -8.781 8.333 3.083 1.00 0.83 O ATOM 717 CB THR A 48 -9.080 5.377 3.728 1.00 0.80 C ATOM 718 OG1 THR A 48 -8.625 4.097 3.361 1.00 0.82 O ATOM 719 CG2 THR A 48 -10.215 5.207 4.738 1.00 0.92 C ATOM 0 H THR A 48 -7.630 6.645 1.708 1.00 0.67 H new ATOM 0 HA THR A 48 -10.422 5.677 2.103 1.00 0.67 H new ATOM 0 HB THR A 48 -8.288 5.960 4.198 1.00 0.80 H new ATOM 0 HG1 THR A 48 -7.673 4.141 3.134 1.00 0.82 H new ATOM 0 HG21 THR A 48 -9.852 4.653 5.604 1.00 0.92 H new ATOM 0 HG22 THR A 48 -10.568 6.188 5.057 1.00 0.92 H new ATOM 0 HG23 THR A 48 -11.035 4.659 4.275 1.00 0.92 H new ATOM 727 N PHE A 49 -11.018 8.053 2.884 1.00 0.62 N ATOM 728 CA PHE A 49 -11.397 9.472 2.929 1.00 0.60 C ATOM 729 C PHE A 49 -12.635 9.779 3.782 1.00 0.73 C ATOM 730 O PHE A 49 -13.313 8.891 4.299 1.00 0.81 O ATOM 731 CB PHE A 49 -11.618 9.990 1.496 1.00 0.56 C ATOM 732 CG PHE A 49 -12.826 9.419 0.760 1.00 0.59 C ATOM 733 CD1 PHE A 49 -12.834 8.094 0.279 1.00 1.71 C ATOM 734 CD2 PHE A 49 -13.940 10.239 0.506 1.00 1.96 C ATOM 735 CE1 PHE A 49 -13.916 7.611 -0.467 1.00 1.72 C ATOM 736 CE2 PHE A 49 -15.028 9.748 -0.238 1.00 2.06 C ATOM 737 CZ PHE A 49 -15.011 8.438 -0.744 1.00 0.90 C ATOM 0 H PHE A 49 -11.819 7.421 2.897 1.00 0.62 H new ATOM 0 HA PHE A 49 -10.568 9.986 3.415 1.00 0.60 H new ATOM 0 HB2 PHE A 49 -11.719 11.075 1.534 1.00 0.56 H new ATOM 0 HB3 PHE A 49 -10.724 9.774 0.910 1.00 0.56 H new ATOM 0 HD1 PHE A 49 -11.997 7.445 0.488 1.00 1.71 H new ATOM 0 HD2 PHE A 49 -13.960 11.250 0.884 1.00 1.96 H new ATOM 0 HE1 PHE A 49 -13.906 6.594 -0.831 1.00 1.72 H new ATOM 0 HE2 PHE A 49 -15.882 10.383 -0.421 1.00 2.06 H new ATOM 0 HZ PHE A 49 -15.834 8.073 -1.340 1.00 0.90 H new ATOM 747 N MET A 50 -12.954 11.075 3.897 1.00 0.83 N ATOM 748 CA MET A 50 -14.109 11.632 4.589 1.00 0.99 C ATOM 749 C MET A 50 -15.089 12.298 3.602 1.00 0.99 C ATOM 750 O MET A 50 -14.672 12.969 2.662 1.00 0.92 O ATOM 751 CB MET A 50 -13.580 12.650 5.612 1.00 1.13 C ATOM 752 CG MET A 50 -14.715 13.156 6.494 1.00 2.42 C ATOM 753 SD MET A 50 -14.237 14.345 7.768 1.00 2.89 S ATOM 754 CE MET A 50 -14.290 15.859 6.773 1.00 4.06 C ATOM 0 H MET A 50 -12.372 11.802 3.481 1.00 0.83 H new ATOM 0 HA MET A 50 -14.667 10.840 5.089 1.00 0.99 H new ATOM 0 HB2 MET A 50 -12.810 12.188 6.229 1.00 1.13 H new ATOM 0 HB3 MET A 50 -13.113 13.487 5.093 1.00 1.13 H new ATOM 0 HG2 MET A 50 -15.470 13.616 5.857 1.00 2.42 H new ATOM 0 HG3 MET A 50 -15.185 12.300 6.978 1.00 2.42 H new ATOM 0 HE1 MET A 50 -14.021 16.713 7.395 1.00 4.06 H new ATOM 0 HE2 MET A 50 -13.585 15.776 5.946 1.00 4.06 H new ATOM 0 HE3 MET A 50 -15.296 16.000 6.379 1.00 4.06 H new ATOM 764 N ARG A 51 -16.393 12.154 3.860 1.00 1.13 N ATOM 765 CA ARG A 51 -17.491 12.909 3.237 1.00 1.19 C ATOM 766 C ARG A 51 -18.427 13.524 4.288 1.00 1.34 C ATOM 767 O ARG A 51 -18.473 13.089 5.440 1.00 1.43 O ATOM 768 CB ARG A 51 -18.295 11.987 2.299 1.00 1.31 C ATOM 769 CG ARG A 51 -17.783 12.074 0.860 1.00 2.08 C ATOM 770 CD ARG A 51 -18.593 11.149 -0.054 1.00 2.20 C ATOM 771 NE ARG A 51 -18.114 11.208 -1.451 1.00 3.57 N ATOM 772 CZ ARG A 51 -18.549 10.464 -2.462 1.00 4.58 C ATOM 773 NH1 ARG A 51 -19.535 9.611 -2.292 1.00 4.64 N ATOM 774 NH2 ARG A 51 -18.007 10.582 -3.659 1.00 6.01 N ATOM 0 H ARG A 51 -16.730 11.475 4.542 1.00 1.13 H new ATOM 0 HA ARG A 51 -17.050 13.725 2.664 1.00 1.19 H new ATOM 0 HB2 ARG A 51 -18.225 10.958 2.650 1.00 1.31 H new ATOM 0 HB3 ARG A 51 -19.349 12.264 2.330 1.00 1.31 H new ATOM 0 HG2 ARG A 51 -17.855 13.102 0.504 1.00 2.08 H new ATOM 0 HG3 ARG A 51 -16.729 11.798 0.825 1.00 2.08 H new ATOM 0 HD2 ARG A 51 -18.525 10.124 0.312 1.00 2.20 H new ATOM 0 HD3 ARG A 51 -19.645 11.431 -0.017 1.00 2.20 H new ATOM 0 HE ARG A 51 -17.379 11.884 -1.659 1.00 3.57 H new ATOM 0 HH11 ARG A 51 -19.974 9.515 -1.376 1.00 4.64 H new ATOM 0 HH12 ARG A 51 -19.861 9.045 -3.076 1.00 4.64 H new ATOM 0 HH21 ARG A 51 -17.249 11.247 -3.812 1.00 6.01 H new ATOM 0 HH22 ARG A 51 -18.346 10.008 -4.431 1.00 6.01 H new ATOM 788 N GLU A 52 -19.232 14.492 3.860 1.00 1.47 N ATOM 789 CA GLU A 52 -20.511 14.823 4.435 1.00 1.60 C ATOM 790 C GLU A 52 -21.553 14.060 3.614 1.00 1.59 C ATOM 791 O GLU A 52 -21.386 13.942 2.397 1.00 1.64 O ATOM 792 CB GLU A 52 -20.708 16.324 4.217 1.00 1.95 C ATOM 793 CG GLU A 52 -22.000 16.839 4.835 1.00 2.35 C ATOM 794 CD GLU A 52 -21.777 17.173 6.293 1.00 2.54 C ATOM 795 OE1 GLU A 52 -21.865 16.227 7.093 1.00 2.49 O ATOM 796 OE2 GLU A 52 -21.485 18.326 6.670 1.00 3.52 O ATOM 0 H GLU A 52 -18.991 15.087 3.068 1.00 1.47 H new ATOM 0 HA GLU A 52 -20.588 14.575 5.494 1.00 1.60 H new ATOM 0 HB2 GLU A 52 -19.864 16.864 4.646 1.00 1.95 H new ATOM 0 HB3 GLU A 52 -20.711 16.535 3.148 1.00 1.95 H new ATOM 0 HG2 GLU A 52 -22.342 17.724 4.299 1.00 2.35 H new ATOM 0 HG3 GLU A 52 -22.783 16.087 4.741 1.00 2.35 H new ATOM 803 N VAL A 53 -22.629 13.596 4.238 1.00 1.69 N ATOM 804 CA VAL A 53 -23.839 13.154 3.537 1.00 1.89 C ATOM 805 C VAL A 53 -25.050 13.324 4.458 1.00 1.90 C ATOM 806 O VAL A 53 -25.010 12.907 5.614 1.00 1.99 O ATOM 807 CB VAL A 53 -23.669 11.723 2.967 1.00 2.11 C ATOM 808 CG1 VAL A 53 -23.536 10.658 4.063 1.00 1.99 C ATOM 809 CG2 VAL A 53 -24.764 11.400 1.946 1.00 3.48 C ATOM 0 H VAL A 53 -22.692 13.513 5.253 1.00 1.69 H new ATOM 0 HA VAL A 53 -24.015 13.781 2.663 1.00 1.89 H new ATOM 0 HB VAL A 53 -22.720 11.700 2.432 1.00 2.11 H new ATOM 0 HG11 VAL A 53 -23.420 9.676 3.604 1.00 1.99 H new ATOM 0 HG12 VAL A 53 -22.663 10.876 4.679 1.00 1.99 H new ATOM 0 HG13 VAL A 53 -24.430 10.664 4.686 1.00 1.99 H new ATOM 0 HG21 VAL A 53 -24.618 10.390 1.564 1.00 3.48 H new ATOM 0 HG22 VAL A 53 -25.740 11.469 2.425 1.00 3.48 H new ATOM 0 HG23 VAL A 53 -24.714 12.111 1.121 1.00 3.48 H new ATOM 819 N GLU A 54 -26.062 14.056 3.980 1.00 2.26 N ATOM 820 CA GLU A 54 -27.259 14.482 4.738 1.00 2.45 C ATOM 821 C GLU A 54 -26.928 15.438 5.915 1.00 2.46 C ATOM 822 O GLU A 54 -27.676 15.512 6.884 1.00 2.63 O ATOM 823 CB GLU A 54 -28.073 13.274 5.250 1.00 2.52 C ATOM 824 CG GLU A 54 -28.448 12.204 4.205 1.00 3.02 C ATOM 825 CD GLU A 54 -28.086 10.828 4.749 1.00 3.48 C ATOM 826 OE1 GLU A 54 -28.762 10.347 5.678 1.00 3.56 O ATOM 827 OE2 GLU A 54 -26.976 10.347 4.440 1.00 4.54 O ATOM 0 H GLU A 54 -26.077 14.385 3.015 1.00 2.26 H new ATOM 0 HA GLU A 54 -27.868 15.041 4.027 1.00 2.45 H new ATOM 0 HB2 GLU A 54 -27.503 12.791 6.044 1.00 2.52 H new ATOM 0 HB3 GLU A 54 -28.993 13.648 5.700 1.00 2.52 H new ATOM 0 HG2 GLU A 54 -29.514 12.252 3.983 1.00 3.02 H new ATOM 0 HG3 GLU A 54 -27.919 12.390 3.270 1.00 3.02 H new ATOM 834 N GLY A 55 -25.776 16.132 5.886 1.00 2.36 N ATOM 835 CA GLY A 55 -25.283 16.925 7.029 1.00 2.43 C ATOM 836 C GLY A 55 -24.567 16.085 8.098 1.00 2.26 C ATOM 837 O GLY A 55 -24.243 16.584 9.180 1.00 2.41 O ATOM 0 H GLY A 55 -25.161 16.160 5.072 1.00 2.36 H new ATOM 0 HA2 GLY A 55 -24.599 17.690 6.662 1.00 2.43 H new ATOM 0 HA3 GLY A 55 -26.124 17.444 7.490 1.00 2.43 H new ATOM 841 N LYS A 56 -24.265 14.823 7.774 1.00 2.04 N ATOM 842 CA LYS A 56 -23.533 13.879 8.620 1.00 1.95 C ATOM 843 C LYS A 56 -22.137 13.619 8.041 1.00 1.86 C ATOM 844 O LYS A 56 -21.992 13.087 6.937 1.00 1.75 O ATOM 845 CB LYS A 56 -24.283 12.536 8.754 1.00 1.89 C ATOM 846 CG LYS A 56 -25.737 12.663 9.238 1.00 2.04 C ATOM 847 CD LYS A 56 -26.429 11.297 9.394 1.00 2.25 C ATOM 848 CE LYS A 56 -27.114 10.780 8.118 1.00 3.14 C ATOM 849 NZ LYS A 56 -26.187 10.417 7.021 1.00 4.20 N ATOM 0 H LYS A 56 -24.536 14.417 6.878 1.00 2.04 H new ATOM 0 HA LYS A 56 -23.447 14.328 9.609 1.00 1.95 H new ATOM 0 HB2 LYS A 56 -24.278 12.034 7.787 1.00 1.89 H new ATOM 0 HB3 LYS A 56 -23.737 11.897 9.448 1.00 1.89 H new ATOM 0 HG2 LYS A 56 -25.754 13.186 10.194 1.00 2.04 H new ATOM 0 HG3 LYS A 56 -26.300 13.273 8.531 1.00 2.04 H new ATOM 0 HD2 LYS A 56 -25.690 10.564 9.717 1.00 2.25 H new ATOM 0 HD3 LYS A 56 -27.173 11.369 10.187 1.00 2.25 H new ATOM 0 HE2 LYS A 56 -27.714 9.906 8.373 1.00 3.14 H new ATOM 0 HE3 LYS A 56 -27.802 11.544 7.756 1.00 3.14 H new ATOM 0 HZ1 LYS A 56 -26.702 9.880 6.295 1.00 4.20 H new ATOM 0 HZ2 LYS A 56 -25.794 11.282 6.598 1.00 4.20 H new ATOM 0 HZ3 LYS A 56 -25.413 9.834 7.399 1.00 4.20 H new ATOM 863 N LYS A 57 -21.103 13.957 8.813 1.00 1.98 N ATOM 864 CA LYS A 57 -19.727 13.522 8.605 1.00 1.72 C ATOM 865 C LYS A 57 -19.667 11.989 8.660 1.00 1.76 C ATOM 866 O LYS A 57 -20.145 11.373 9.608 1.00 2.04 O ATOM 867 CB LYS A 57 -18.818 14.140 9.682 1.00 1.63 C ATOM 868 CG LYS A 57 -18.244 15.537 9.375 1.00 2.71 C ATOM 869 CD LYS A 57 -19.214 16.637 8.923 1.00 3.69 C ATOM 870 CE LYS A 57 -20.286 17.024 9.957 1.00 3.48 C ATOM 871 NZ LYS A 57 -21.422 17.726 9.307 1.00 3.98 N ATOM 0 H LYS A 57 -21.208 14.562 9.627 1.00 1.98 H new ATOM 0 HA LYS A 57 -19.378 13.854 7.627 1.00 1.72 H new ATOM 0 HB2 LYS A 57 -19.383 14.200 10.612 1.00 1.63 H new ATOM 0 HB3 LYS A 57 -17.985 13.459 9.858 1.00 1.63 H new ATOM 0 HG2 LYS A 57 -17.733 15.891 10.270 1.00 2.71 H new ATOM 0 HG3 LYS A 57 -17.486 15.422 8.600 1.00 2.71 H new ATOM 0 HD2 LYS A 57 -18.638 17.527 8.669 1.00 3.69 H new ATOM 0 HD3 LYS A 57 -19.712 16.309 8.011 1.00 3.69 H new ATOM 0 HE2 LYS A 57 -20.648 16.129 10.463 1.00 3.48 H new ATOM 0 HE3 LYS A 57 -19.846 17.666 10.720 1.00 3.48 H new ATOM 0 HZ1 LYS A 57 -21.826 18.419 9.969 1.00 3.98 H new ATOM 0 HZ2 LYS A 57 -21.085 18.217 8.455 1.00 3.98 H new ATOM 0 HZ3 LYS A 57 -22.152 17.034 9.042 1.00 3.98 H new ATOM 885 N VAL A 58 -19.086 11.411 7.625 1.00 1.58 N ATOM 886 CA VAL A 58 -18.944 9.984 7.347 1.00 1.65 C ATOM 887 C VAL A 58 -17.609 9.724 6.643 1.00 1.42 C ATOM 888 O VAL A 58 -16.905 10.667 6.284 1.00 1.41 O ATOM 889 CB VAL A 58 -20.095 9.498 6.443 1.00 1.90 C ATOM 890 CG1 VAL A 58 -21.458 9.487 7.153 1.00 2.85 C ATOM 891 CG2 VAL A 58 -20.171 10.256 5.105 1.00 3.63 C ATOM 0 H VAL A 58 -18.662 11.975 6.888 1.00 1.58 H new ATOM 0 HA VAL A 58 -18.975 9.441 8.292 1.00 1.65 H new ATOM 0 HB VAL A 58 -19.849 8.462 6.211 1.00 1.90 H new ATOM 0 HG11 VAL A 58 -22.225 9.135 6.463 1.00 2.85 H new ATOM 0 HG12 VAL A 58 -21.414 8.822 8.016 1.00 2.85 H new ATOM 0 HG13 VAL A 58 -21.704 10.496 7.485 1.00 2.85 H new ATOM 0 HG21 VAL A 58 -21.001 9.868 4.514 1.00 3.63 H new ATOM 0 HG22 VAL A 58 -20.327 11.318 5.297 1.00 3.63 H new ATOM 0 HG23 VAL A 58 -19.239 10.119 4.556 1.00 3.63 H new ATOM 901 N MET A 59 -17.285 8.456 6.390 1.00 1.51 N ATOM 902 CA MET A 59 -16.066 8.038 5.689 1.00 1.26 C ATOM 903 C MET A 59 -16.352 7.047 4.560 1.00 1.07 C ATOM 904 O MET A 59 -17.452 6.504 4.459 1.00 1.14 O ATOM 905 CB MET A 59 -15.050 7.444 6.675 1.00 1.36 C ATOM 906 CG MET A 59 -14.533 8.489 7.674 1.00 1.50 C ATOM 907 SD MET A 59 -15.551 8.763 9.148 1.00 3.44 S ATOM 908 CE MET A 59 -14.581 10.093 9.899 1.00 3.72 C ATOM 0 H MET A 59 -17.874 7.672 6.672 1.00 1.51 H new ATOM 0 HA MET A 59 -15.641 8.933 5.234 1.00 1.26 H new ATOM 0 HB2 MET A 59 -15.513 6.621 7.220 1.00 1.36 H new ATOM 0 HB3 MET A 59 -14.209 7.027 6.121 1.00 1.36 H new ATOM 0 HG2 MET A 59 -13.536 8.189 7.998 1.00 1.50 H new ATOM 0 HG3 MET A 59 -14.426 9.439 7.151 1.00 1.50 H new ATOM 0 HE1 MET A 59 -15.052 10.405 10.831 1.00 3.72 H new ATOM 0 HE2 MET A 59 -13.572 9.736 10.104 1.00 3.72 H new ATOM 0 HE3 MET A 59 -14.535 10.940 9.215 1.00 3.72 H new ATOM 918 N GLY A 60 -15.350 6.842 3.702 1.00 0.90 N ATOM 919 CA GLY A 60 -15.377 5.912 2.577 1.00 0.80 C ATOM 920 C GLY A 60 -13.983 5.456 2.147 1.00 0.72 C ATOM 921 O GLY A 60 -12.978 5.866 2.718 1.00 0.74 O ATOM 0 H GLY A 60 -14.463 7.341 3.777 1.00 0.90 H new ATOM 0 HA2 GLY A 60 -15.971 5.039 2.848 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -15.875 6.387 1.732 1.00 0.80 H new ATOM 925 N MET A 61 -13.929 4.604 1.118 1.00 0.68 N ATOM 926 CA MET A 61 -12.705 4.058 0.549 1.00 0.63 C ATOM 927 C MET A 61 -12.924 3.680 -0.922 1.00 0.63 C ATOM 928 O MET A 61 -13.954 3.099 -1.291 1.00 0.81 O ATOM 929 CB MET A 61 -12.344 2.831 1.384 1.00 0.80 C ATOM 930 CG MET A 61 -11.116 2.074 0.899 1.00 0.83 C ATOM 931 SD MET A 61 -11.195 0.260 1.063 1.00 0.65 S ATOM 932 CE MET A 61 -11.703 0.058 2.785 1.00 1.30 C ATOM 0 H MET A 61 -14.768 4.268 0.646 1.00 0.68 H new ATOM 0 HA MET A 61 -11.896 4.788 0.572 1.00 0.63 H new ATOM 0 HB2 MET A 61 -12.178 3.145 2.414 1.00 0.80 H new ATOM 0 HB3 MET A 61 -13.195 2.150 1.392 1.00 0.80 H new ATOM 0 HG2 MET A 61 -10.951 2.319 -0.150 1.00 0.83 H new ATOM 0 HG3 MET A 61 -10.248 2.434 1.451 1.00 0.83 H new ATOM 0 HE1 MET A 61 -11.703 -1.001 3.042 1.00 1.30 H new ATOM 0 HE2 MET A 61 -11.007 0.589 3.434 1.00 1.30 H new ATOM 0 HE3 MET A 61 -12.706 0.464 2.919 1.00 1.30 H new ATOM 942 N ARG A 62 -11.949 4.006 -1.763 1.00 0.57 N ATOM 943 CA ARG A 62 -11.983 3.842 -3.225 1.00 0.57 C ATOM 944 C ARG A 62 -10.594 3.468 -3.779 1.00 0.58 C ATOM 945 O ARG A 62 -9.600 3.736 -3.114 1.00 0.61 O ATOM 946 CB ARG A 62 -12.473 5.168 -3.839 1.00 0.63 C ATOM 947 CG ARG A 62 -13.958 5.509 -3.659 1.00 1.82 C ATOM 948 CD ARG A 62 -14.907 4.656 -4.507 1.00 3.32 C ATOM 949 NE ARG A 62 -15.098 3.335 -3.891 1.00 5.67 N ATOM 950 CZ ARG A 62 -15.620 2.251 -4.441 1.00 7.73 C ATOM 951 NH1 ARG A 62 -16.095 2.251 -5.667 1.00 7.97 N ATOM 952 NH2 ARG A 62 -15.653 1.143 -3.736 1.00 9.66 N ATOM 0 H ARG A 62 -11.071 4.410 -1.437 1.00 0.57 H new ATOM 0 HA ARG A 62 -12.659 3.029 -3.488 1.00 0.57 H new ATOM 0 HB2 ARG A 62 -11.884 5.979 -3.410 1.00 0.63 H new ATOM 0 HB3 ARG A 62 -12.257 5.148 -4.907 1.00 0.63 H new ATOM 0 HG2 ARG A 62 -14.222 5.390 -2.608 1.00 1.82 H new ATOM 0 HG3 ARG A 62 -14.111 6.559 -3.909 1.00 1.82 H new ATOM 0 HD2 ARG A 62 -15.868 5.160 -4.607 1.00 3.32 H new ATOM 0 HD3 ARG A 62 -14.502 4.540 -5.512 1.00 3.32 H new ATOM 0 HE ARG A 62 -14.791 3.243 -2.923 1.00 5.67 H new ATOM 0 HH11 ARG A 62 -16.068 3.105 -6.225 1.00 7.97 H new ATOM 0 HH12 ARG A 62 -16.491 1.397 -6.061 1.00 7.97 H new ATOM 0 HH21 ARG A 62 -15.281 1.132 -2.786 1.00 9.66 H new ATOM 0 HH22 ARG A 62 -16.051 0.294 -4.138 1.00 9.66 H new ATOM 966 N PRO A 63 -10.492 2.822 -4.959 1.00 0.61 N ATOM 967 CA PRO A 63 -9.211 2.578 -5.617 1.00 0.66 C ATOM 968 C PRO A 63 -8.655 3.878 -6.207 1.00 0.69 C ATOM 969 O PRO A 63 -9.440 4.769 -6.524 1.00 0.68 O ATOM 970 CB PRO A 63 -9.500 1.530 -6.690 1.00 0.65 C ATOM 971 CG PRO A 63 -10.944 1.838 -7.086 1.00 0.63 C ATOM 972 CD PRO A 63 -11.581 2.296 -5.771 1.00 0.60 C ATOM 0 HA PRO A 63 -8.448 2.220 -4.926 1.00 0.66 H new ATOM 0 HB2 PRO A 63 -8.820 1.621 -7.537 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -9.394 0.516 -6.304 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -10.995 2.615 -7.849 1.00 0.63 H new ATOM 0 HG3 PRO A 63 -11.446 0.959 -7.491 1.00 0.63 H new ATOM 0 HD2 PRO A 63 -12.338 3.059 -5.949 1.00 0.60 H new ATOM 0 HD3 PRO A 63 -12.077 1.466 -5.268 1.00 0.60 H new ATOM 980 N VAL A 64 -7.328 3.979 -6.377 1.00 0.73 N ATOM 981 CA VAL A 64 -6.693 5.080 -7.144 1.00 0.61 C ATOM 982 C VAL A 64 -5.697 4.528 -8.185 1.00 0.63 C ATOM 983 O VAL A 64 -5.268 3.384 -8.033 1.00 0.66 O ATOM 984 CB VAL A 64 -6.039 6.144 -6.226 1.00 0.46 C ATOM 985 CG1 VAL A 64 -7.062 6.767 -5.275 1.00 0.67 C ATOM 986 CG2 VAL A 64 -4.847 5.617 -5.419 1.00 0.61 C ATOM 0 H VAL A 64 -6.662 3.309 -5.993 1.00 0.73 H new ATOM 0 HA VAL A 64 -7.489 5.594 -7.684 1.00 0.61 H new ATOM 0 HB VAL A 64 -5.656 6.905 -6.906 1.00 0.46 H new ATOM 0 HG11 VAL A 64 -6.570 7.509 -4.646 1.00 0.67 H new ATOM 0 HG12 VAL A 64 -7.851 7.248 -5.853 1.00 0.67 H new ATOM 0 HG13 VAL A 64 -7.496 5.989 -4.647 1.00 0.67 H new ATOM 0 HG21 VAL A 64 -4.443 6.419 -4.801 1.00 0.61 H new ATOM 0 HG22 VAL A 64 -5.174 4.797 -4.780 1.00 0.61 H new ATOM 0 HG23 VAL A 64 -4.075 5.260 -6.101 1.00 0.61 H new ATOM 996 N PRO A 65 -5.343 5.276 -9.258 1.00 0.64 N ATOM 997 CA PRO A 65 -4.565 4.752 -10.382 1.00 0.70 C ATOM 998 C PRO A 65 -3.050 4.771 -10.153 1.00 0.58 C ATOM 999 O PRO A 65 -2.343 4.054 -10.852 1.00 0.53 O ATOM 1000 CB PRO A 65 -4.967 5.619 -11.577 1.00 0.79 C ATOM 1001 CG PRO A 65 -5.241 6.980 -10.947 1.00 0.73 C ATOM 1002 CD PRO A 65 -5.783 6.634 -9.560 1.00 0.63 C ATOM 0 HA PRO A 65 -4.784 3.695 -10.536 1.00 0.70 H new ATOM 0 HB2 PRO A 65 -4.172 5.673 -12.320 1.00 0.79 H new ATOM 0 HB3 PRO A 65 -5.849 5.224 -12.082 1.00 0.79 H new ATOM 0 HG2 PRO A 65 -4.335 7.582 -10.884 1.00 0.73 H new ATOM 0 HG3 PRO A 65 -5.964 7.552 -11.528 1.00 0.73 H new ATOM 0 HD2 PRO A 65 -5.410 7.335 -8.814 1.00 0.63 H new ATOM 0 HD3 PRO A 65 -6.871 6.700 -9.543 1.00 0.63 H new ATOM 1010 N PHE A 66 -2.570 5.574 -9.193 1.00 0.55 N ATOM 1011 CA PHE A 66 -1.156 5.730 -8.814 1.00 0.48 C ATOM 1012 C PHE A 66 -0.985 6.706 -7.636 1.00 0.48 C ATOM 1013 O PHE A 66 -1.909 7.444 -7.286 1.00 0.60 O ATOM 1014 CB PHE A 66 -0.293 6.183 -10.012 1.00 0.47 C ATOM 1015 CG PHE A 66 -0.631 7.560 -10.533 1.00 0.52 C ATOM 1016 CD1 PHE A 66 0.014 8.687 -9.995 1.00 1.67 C ATOM 1017 CD2 PHE A 66 -1.625 7.719 -11.514 1.00 1.71 C ATOM 1018 CE1 PHE A 66 -0.346 9.976 -10.406 1.00 1.66 C ATOM 1019 CE2 PHE A 66 -1.969 9.013 -11.952 1.00 1.77 C ATOM 1020 CZ PHE A 66 -1.334 10.140 -11.398 1.00 0.63 C ATOM 0 H PHE A 66 -3.186 6.162 -8.631 1.00 0.55 H new ATOM 0 HA PHE A 66 -0.809 4.748 -8.494 1.00 0.48 H new ATOM 0 HB2 PHE A 66 0.756 6.166 -9.717 1.00 0.47 H new ATOM 0 HB3 PHE A 66 -0.408 5.462 -10.821 1.00 0.47 H new ATOM 0 HD1 PHE A 66 0.793 8.558 -9.259 1.00 1.67 H new ATOM 0 HD2 PHE A 66 -2.122 6.855 -11.929 1.00 1.71 H new ATOM 0 HE1 PHE A 66 0.130 10.839 -9.966 1.00 1.66 H new ATOM 0 HE2 PHE A 66 -2.722 9.140 -12.715 1.00 1.77 H new ATOM 0 HZ PHE A 66 -1.604 11.131 -11.733 1.00 0.63 H new ATOM 1030 N LEU A 67 0.227 6.741 -7.073 1.00 0.42 N ATOM 1031 CA LEU A 67 0.762 7.795 -6.204 1.00 0.44 C ATOM 1032 C LEU A 67 1.948 8.486 -6.884 1.00 0.46 C ATOM 1033 O LEU A 67 2.645 7.868 -7.685 1.00 0.46 O ATOM 1034 CB LEU A 67 1.265 7.206 -4.868 1.00 0.46 C ATOM 1035 CG LEU A 67 0.274 6.349 -4.069 1.00 0.50 C ATOM 1036 CD1 LEU A 67 0.851 6.023 -2.689 1.00 0.56 C ATOM 1037 CD2 LEU A 67 -1.074 7.035 -3.866 1.00 0.52 C ATOM 0 H LEU A 67 0.901 5.990 -7.220 1.00 0.42 H new ATOM 0 HA LEU A 67 -0.043 8.505 -6.017 1.00 0.44 H new ATOM 0 HB2 LEU A 67 2.147 6.600 -5.075 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.588 8.032 -4.234 1.00 0.46 H new ATOM 0 HG LEU A 67 0.115 5.443 -4.654 1.00 0.50 H new ATOM 0 HD11 LEU A 67 0.139 5.415 -2.131 1.00 0.56 H new ATOM 0 HD12 LEU A 67 1.785 5.473 -2.806 1.00 0.56 H new ATOM 0 HD13 LEU A 67 1.041 6.949 -2.146 1.00 0.56 H new ATOM 0 HD21 LEU A 67 -1.733 6.381 -3.295 1.00 0.52 H new ATOM 0 HD22 LEU A 67 -0.929 7.969 -3.322 1.00 0.52 H new ATOM 0 HD23 LEU A 67 -1.525 7.246 -4.836 1.00 0.52 H new ATOM 1049 N GLU A 68 2.208 9.733 -6.503 1.00 0.53 N ATOM 1050 CA GLU A 68 3.369 10.520 -6.925 1.00 0.61 C ATOM 1051 C GLU A 68 4.217 10.836 -5.693 1.00 0.69 C ATOM 1052 O GLU A 68 3.652 11.072 -4.626 1.00 0.76 O ATOM 1053 CB GLU A 68 2.882 11.841 -7.545 1.00 0.74 C ATOM 1054 CG GLU A 68 4.011 12.706 -8.131 1.00 0.80 C ATOM 1055 CD GLU A 68 4.345 12.301 -9.575 1.00 0.74 C ATOM 1056 OE1 GLU A 68 4.319 11.095 -9.897 1.00 1.65 O ATOM 1057 OE2 GLU A 68 4.502 13.197 -10.432 1.00 1.52 O ATOM 0 H GLU A 68 1.595 10.245 -5.868 1.00 0.53 H new ATOM 0 HA GLU A 68 3.955 9.962 -7.655 1.00 0.61 H new ATOM 0 HB2 GLU A 68 2.162 11.618 -8.332 1.00 0.74 H new ATOM 0 HB3 GLU A 68 2.354 12.416 -6.784 1.00 0.74 H new ATOM 0 HG2 GLU A 68 3.716 13.755 -8.106 1.00 0.80 H new ATOM 0 HG3 GLU A 68 4.902 12.611 -7.511 1.00 0.80 H new ATOM 1064 N VAL A 69 5.544 10.910 -5.845 1.00 0.75 N ATOM 1065 CA VAL A 69 6.440 11.419 -4.804 1.00 0.84 C ATOM 1066 C VAL A 69 7.529 12.347 -5.382 1.00 0.92 C ATOM 1067 O VAL A 69 8.051 12.055 -6.457 1.00 1.02 O ATOM 1068 CB VAL A 69 7.061 10.243 -3.999 1.00 0.84 C ATOM 1069 CG1 VAL A 69 7.941 10.707 -2.825 1.00 0.89 C ATOM 1070 CG2 VAL A 69 6.000 9.292 -3.410 1.00 0.89 C ATOM 0 H VAL A 69 6.026 10.618 -6.695 1.00 0.75 H new ATOM 0 HA VAL A 69 5.845 12.025 -4.120 1.00 0.84 H new ATOM 0 HB VAL A 69 7.669 9.723 -4.739 1.00 0.84 H new ATOM 0 HG11 VAL A 69 8.343 9.837 -2.306 1.00 0.89 H new ATOM 0 HG12 VAL A 69 8.762 11.315 -3.204 1.00 0.89 H new ATOM 0 HG13 VAL A 69 7.342 11.298 -2.133 1.00 0.89 H new ATOM 0 HG21 VAL A 69 6.494 8.492 -2.859 1.00 0.89 H new ATOM 0 HG22 VAL A 69 5.348 9.847 -2.736 1.00 0.89 H new ATOM 0 HG23 VAL A 69 5.407 8.864 -4.218 1.00 0.89 H new ATOM 1080 N PRO A 70 7.861 13.476 -4.715 1.00 1.00 N ATOM 1081 CA PRO A 70 8.899 14.415 -5.149 1.00 1.11 C ATOM 1082 C PRO A 70 10.312 13.980 -4.704 1.00 1.15 C ATOM 1083 O PRO A 70 10.451 13.275 -3.701 1.00 1.24 O ATOM 1084 CB PRO A 70 8.514 15.752 -4.511 1.00 1.22 C ATOM 1085 CG PRO A 70 7.876 15.327 -3.191 1.00 1.18 C ATOM 1086 CD PRO A 70 7.144 14.041 -3.573 1.00 1.07 C ATOM 0 HA PRO A 70 8.948 14.468 -6.237 1.00 1.11 H new ATOM 0 HB2 PRO A 70 9.384 16.390 -4.353 1.00 1.22 H new ATOM 0 HB3 PRO A 70 7.817 16.312 -5.135 1.00 1.22 H new ATOM 0 HG2 PRO A 70 8.624 15.153 -2.417 1.00 1.18 H new ATOM 0 HG3 PRO A 70 7.192 16.085 -2.809 1.00 1.18 H new ATOM 0 HD2 PRO A 70 7.131 13.340 -2.738 1.00 1.07 H new ATOM 0 HD3 PRO A 70 6.106 14.248 -3.831 1.00 1.07 H new ATOM 1094 N PRO A 71 11.374 14.434 -5.405 1.00 1.16 N ATOM 1095 CA PRO A 71 12.749 14.010 -5.160 1.00 1.10 C ATOM 1096 C PRO A 71 13.265 14.374 -3.766 1.00 1.11 C ATOM 1097 O PRO A 71 12.973 15.441 -3.230 1.00 1.19 O ATOM 1098 CB PRO A 71 13.591 14.622 -6.278 1.00 1.11 C ATOM 1099 CG PRO A 71 12.766 15.811 -6.759 1.00 1.20 C ATOM 1100 CD PRO A 71 11.332 15.337 -6.546 1.00 1.20 C ATOM 0 HA PRO A 71 12.812 12.922 -5.173 1.00 1.10 H new ATOM 0 HB2 PRO A 71 14.569 14.937 -5.913 1.00 1.11 H new ATOM 0 HB3 PRO A 71 13.766 13.907 -7.082 1.00 1.11 H new ATOM 0 HG2 PRO A 71 12.983 16.712 -6.186 1.00 1.20 H new ATOM 0 HG3 PRO A 71 12.964 16.043 -7.805 1.00 1.20 H new ATOM 0 HD2 PRO A 71 10.667 16.179 -6.353 1.00 1.20 H new ATOM 0 HD3 PRO A 71 10.953 14.828 -7.433 1.00 1.20 H new ATOM 1108 N LYS A 72 14.020 13.435 -3.183 1.00 1.07 N ATOM 1109 CA LYS A 72 14.622 13.450 -1.837 1.00 1.12 C ATOM 1110 C LYS A 72 13.606 13.334 -0.686 1.00 1.17 C ATOM 1111 O LYS A 72 13.991 13.117 0.463 1.00 1.30 O ATOM 1112 CB LYS A 72 15.574 14.652 -1.668 1.00 1.24 C ATOM 1113 CG LYS A 72 16.547 14.839 -2.844 1.00 1.44 C ATOM 1114 CD LYS A 72 17.434 13.617 -3.136 1.00 1.16 C ATOM 1115 CE LYS A 72 18.198 13.869 -4.435 1.00 1.50 C ATOM 1116 NZ LYS A 72 19.138 12.776 -4.775 1.00 1.53 N ATOM 0 H LYS A 72 14.246 12.573 -3.678 1.00 1.07 H new ATOM 0 HA LYS A 72 15.215 12.538 -1.764 1.00 1.12 H new ATOM 0 HB2 LYS A 72 14.982 15.559 -1.550 1.00 1.24 H new ATOM 0 HB3 LYS A 72 16.148 14.524 -0.750 1.00 1.24 H new ATOM 0 HG2 LYS A 72 15.974 15.079 -3.739 1.00 1.44 H new ATOM 0 HG3 LYS A 72 17.188 15.696 -2.637 1.00 1.44 H new ATOM 0 HD2 LYS A 72 18.130 13.450 -2.314 1.00 1.16 H new ATOM 0 HD3 LYS A 72 16.823 12.719 -3.224 1.00 1.16 H new ATOM 0 HE2 LYS A 72 17.486 13.995 -5.250 1.00 1.50 H new ATOM 0 HE3 LYS A 72 18.752 14.804 -4.349 1.00 1.50 H new ATOM 0 HZ1 LYS A 72 19.664 13.026 -5.637 1.00 1.53 H new ATOM 0 HZ2 LYS A 72 19.806 12.636 -3.990 1.00 1.53 H new ATOM 0 HZ3 LYS A 72 18.605 11.898 -4.937 1.00 1.53 H new ATOM 1130 N GLY A 73 12.310 13.405 -0.993 1.00 1.23 N ATOM 1131 CA GLY A 73 11.218 13.224 -0.038 1.00 1.30 C ATOM 1132 C GLY A 73 10.971 11.751 0.287 1.00 1.18 C ATOM 1133 O GLY A 73 11.158 10.868 -0.552 1.00 1.06 O ATOM 0 H GLY A 73 11.983 13.595 -1.940 1.00 1.23 H new ATOM 0 HA2 GLY A 73 11.449 13.763 0.881 1.00 1.30 H new ATOM 0 HA3 GLY A 73 10.306 13.662 -0.444 1.00 1.30 H new ATOM 1137 N ARG A 74 10.500 11.505 1.514 1.00 1.44 N ATOM 1138 CA ARG A 74 9.866 10.268 1.955 1.00 1.38 C ATOM 1139 C ARG A 74 8.378 10.574 2.144 1.00 1.67 C ATOM 1140 O ARG A 74 8.031 11.544 2.810 1.00 2.25 O ATOM 1141 CB ARG A 74 10.551 9.756 3.245 1.00 1.80 C ATOM 1142 CG ARG A 74 9.586 9.005 4.176 1.00 1.67 C ATOM 1143 CD ARG A 74 10.218 8.057 5.186 1.00 1.90 C ATOM 1144 NE ARG A 74 11.017 8.730 6.229 1.00 2.46 N ATOM 1145 CZ ARG A 74 12.178 8.284 6.709 1.00 3.46 C ATOM 1146 NH1 ARG A 74 12.923 7.404 6.092 1.00 4.36 N ATOM 1147 NH2 ARG A 74 12.630 8.729 7.858 1.00 4.35 N ATOM 0 H ARG A 74 10.555 12.200 2.259 1.00 1.44 H new ATOM 0 HA ARG A 74 9.972 9.467 1.224 1.00 1.38 H new ATOM 0 HB2 ARG A 74 11.375 9.096 2.975 1.00 1.80 H new ATOM 0 HB3 ARG A 74 10.982 10.601 3.782 1.00 1.80 H new ATOM 0 HG2 ARG A 74 8.996 9.741 4.722 1.00 1.67 H new ATOM 0 HG3 ARG A 74 8.892 8.434 3.559 1.00 1.67 H new ATOM 0 HD2 ARG A 74 9.430 7.477 5.666 1.00 1.90 H new ATOM 0 HD3 ARG A 74 10.856 7.350 4.655 1.00 1.90 H new ATOM 0 HE ARG A 74 10.653 9.603 6.612 1.00 2.46 H new ATOM 0 HH11 ARG A 74 12.624 7.022 5.195 1.00 4.36 H new ATOM 0 HH12 ARG A 74 13.803 7.099 6.508 1.00 4.36 H new ATOM 0 HH21 ARG A 74 12.093 9.417 8.385 1.00 4.35 H new ATOM 0 HH22 ARG A 74 13.519 8.387 8.224 1.00 4.35 H new ATOM 1161 N VAL A 75 7.517 9.722 1.601 1.00 1.58 N ATOM 1162 CA VAL A 75 6.053 9.813 1.713 1.00 2.16 C ATOM 1163 C VAL A 75 5.525 8.434 2.112 1.00 1.79 C ATOM 1164 O VAL A 75 5.797 7.440 1.452 1.00 1.68 O ATOM 1165 CB VAL A 75 5.411 10.312 0.394 1.00 2.83 C ATOM 1166 CG1 VAL A 75 3.875 10.203 0.417 1.00 3.42 C ATOM 1167 CG2 VAL A 75 5.786 11.785 0.141 1.00 3.37 C ATOM 0 H VAL A 75 7.822 8.919 1.051 1.00 1.58 H new ATOM 0 HA VAL A 75 5.784 10.545 2.474 1.00 2.16 H new ATOM 0 HB VAL A 75 5.796 9.674 -0.401 1.00 2.83 H new ATOM 0 HG11 VAL A 75 3.470 10.564 -0.528 1.00 3.42 H new ATOM 0 HG12 VAL A 75 3.586 9.162 0.561 1.00 3.42 H new ATOM 0 HG13 VAL A 75 3.480 10.806 1.235 1.00 3.42 H new ATOM 0 HG21 VAL A 75 5.328 12.122 -0.789 1.00 3.37 H new ATOM 0 HG22 VAL A 75 5.426 12.399 0.966 1.00 3.37 H new ATOM 0 HG23 VAL A 75 6.870 11.877 0.066 1.00 3.37 H new ATOM 1177 N GLU A 76 4.805 8.362 3.224 1.00 1.76 N ATOM 1178 CA GLU A 76 4.286 7.135 3.798 1.00 1.49 C ATOM 1179 C GLU A 76 2.793 6.991 3.474 1.00 1.47 C ATOM 1180 O GLU A 76 2.048 7.969 3.579 1.00 1.67 O ATOM 1181 CB GLU A 76 4.622 7.232 5.288 1.00 1.68 C ATOM 1182 CG GLU A 76 4.421 5.942 6.065 1.00 2.43 C ATOM 1183 CD GLU A 76 2.975 5.777 6.546 1.00 3.72 C ATOM 1184 OE1 GLU A 76 2.477 6.696 7.236 1.00 4.10 O ATOM 1185 OE2 GLU A 76 2.289 4.821 6.120 1.00 5.06 O ATOM 0 H GLU A 76 4.559 9.189 3.768 1.00 1.76 H new ATOM 0 HA GLU A 76 4.727 6.226 3.389 1.00 1.49 H new ATOM 0 HB2 GLU A 76 5.660 7.547 5.394 1.00 1.68 H new ATOM 0 HB3 GLU A 76 4.006 8.011 5.736 1.00 1.68 H new ATOM 0 HG2 GLU A 76 4.692 5.094 5.436 1.00 2.43 H new ATOM 0 HG3 GLU A 76 5.092 5.929 6.924 1.00 2.43 H new ATOM 1192 N LEU A 77 2.376 5.783 3.068 1.00 1.26 N ATOM 1193 CA LEU A 77 1.043 5.466 2.534 1.00 1.09 C ATOM 1194 C LEU A 77 -0.103 5.927 3.451 1.00 1.57 C ATOM 1195 O LEU A 77 -1.020 6.596 2.987 1.00 3.32 O ATOM 1196 CB LEU A 77 0.964 3.939 2.259 1.00 1.17 C ATOM 1197 CG LEU A 77 0.750 3.547 0.783 1.00 1.04 C ATOM 1198 CD1 LEU A 77 1.947 3.887 -0.123 1.00 0.98 C ATOM 1199 CD2 LEU A 77 0.483 2.039 0.681 1.00 1.59 C ATOM 0 H LEU A 77 2.984 4.965 3.104 1.00 1.26 H new ATOM 0 HA LEU A 77 0.912 6.021 1.605 1.00 1.09 H new ATOM 0 HB2 LEU A 77 1.885 3.475 2.612 1.00 1.17 H new ATOM 0 HB3 LEU A 77 0.150 3.521 2.851 1.00 1.17 H new ATOM 0 HG LEU A 77 -0.103 4.130 0.436 1.00 1.04 H new ATOM 0 HD11 LEU A 77 1.726 3.584 -1.146 1.00 0.98 H new ATOM 0 HD12 LEU A 77 2.131 4.961 -0.095 1.00 0.98 H new ATOM 0 HD13 LEU A 77 2.832 3.358 0.230 1.00 0.98 H new ATOM 0 HD21 LEU A 77 0.332 1.766 -0.363 1.00 1.59 H new ATOM 0 HD22 LEU A 77 1.336 1.491 1.080 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -0.410 1.788 1.254 1.00 1.59 H new ATOM 1211 N LYS A 78 -0.017 5.612 4.748 1.00 1.04 N ATOM 1212 CA LYS A 78 -0.883 5.955 5.883 1.00 1.14 C ATOM 1213 C LYS A 78 -1.778 4.758 6.290 1.00 0.96 C ATOM 1214 O LYS A 78 -2.682 4.394 5.534 1.00 1.05 O ATOM 1215 CB LYS A 78 -1.734 7.232 5.647 1.00 1.56 C ATOM 1216 CG LYS A 78 -2.088 8.010 6.917 1.00 2.14 C ATOM 1217 CD LYS A 78 -0.881 8.629 7.656 1.00 3.15 C ATOM 1218 CE LYS A 78 0.078 9.456 6.777 1.00 2.52 C ATOM 1219 NZ LYS A 78 1.027 8.608 6.011 1.00 2.97 N ATOM 0 H LYS A 78 0.762 5.036 5.067 1.00 1.04 H new ATOM 0 HA LYS A 78 -0.213 6.185 6.711 1.00 1.14 H new ATOM 0 HB2 LYS A 78 -1.192 7.894 4.972 1.00 1.56 H new ATOM 0 HB3 LYS A 78 -2.657 6.948 5.142 1.00 1.56 H new ATOM 0 HG2 LYS A 78 -2.784 8.807 6.656 1.00 2.14 H new ATOM 0 HG3 LYS A 78 -2.611 7.342 7.601 1.00 2.14 H new ATOM 0 HD2 LYS A 78 -1.255 9.267 8.457 1.00 3.15 H new ATOM 0 HD3 LYS A 78 -0.314 7.826 8.127 1.00 3.15 H new ATOM 0 HE2 LYS A 78 -0.504 10.062 6.082 1.00 2.52 H new ATOM 0 HE3 LYS A 78 0.640 10.145 7.408 1.00 2.52 H new ATOM 0 HZ1 LYS A 78 1.927 9.116 5.890 1.00 2.97 H new ATOM 0 HZ2 LYS A 78 1.196 7.722 6.528 1.00 2.97 H new ATOM 0 HZ3 LYS A 78 0.623 8.392 5.077 1.00 2.97 H new ATOM 1233 N PRO A 79 -1.667 4.221 7.525 1.00 1.17 N ATOM 1234 CA PRO A 79 -2.528 3.134 8.019 1.00 1.49 C ATOM 1235 C PRO A 79 -4.001 3.523 8.251 1.00 1.69 C ATOM 1236 O PRO A 79 -4.791 2.669 8.657 1.00 2.81 O ATOM 1237 CB PRO A 79 -1.855 2.635 9.302 1.00 1.91 C ATOM 1238 CG PRO A 79 -1.162 3.889 9.826 1.00 1.74 C ATOM 1239 CD PRO A 79 -0.677 4.559 8.543 1.00 1.46 C ATOM 0 HA PRO A 79 -2.608 2.358 7.258 1.00 1.49 H new ATOM 0 HB2 PRO A 79 -2.581 2.246 10.015 1.00 1.91 H new ATOM 0 HB3 PRO A 79 -1.144 1.833 9.101 1.00 1.91 H new ATOM 0 HG2 PRO A 79 -1.847 4.528 10.384 1.00 1.74 H new ATOM 0 HG3 PRO A 79 -0.336 3.647 10.495 1.00 1.74 H new ATOM 0 HD2 PRO A 79 -0.599 5.639 8.670 1.00 1.46 H new ATOM 0 HD3 PRO A 79 0.313 4.198 8.262 1.00 1.46 H new ATOM 1247 N GLY A 80 -4.374 4.791 8.013 1.00 1.11 N ATOM 1248 CA GLY A 80 -5.761 5.281 7.984 1.00 1.43 C ATOM 1249 C GLY A 80 -6.197 5.902 6.647 1.00 1.60 C ATOM 1250 O GLY A 80 -7.317 6.395 6.574 1.00 2.49 O ATOM 0 H GLY A 80 -3.694 5.529 7.829 1.00 1.11 H new ATOM 0 HA2 GLY A 80 -6.429 4.453 8.219 1.00 1.43 H new ATOM 0 HA3 GLY A 80 -5.886 6.024 8.772 1.00 1.43 H new ATOM 1254 N GLY A 81 -5.323 5.906 5.625 1.00 1.12 N ATOM 1255 CA GLY A 81 -5.538 6.558 4.323 1.00 1.11 C ATOM 1256 C GLY A 81 -5.181 5.647 3.156 1.00 1.15 C ATOM 1257 O GLY A 81 -5.934 4.716 2.855 1.00 1.90 O ATOM 0 H GLY A 81 -4.418 5.440 5.686 1.00 1.12 H new ATOM 0 HA2 GLY A 81 -6.582 6.861 4.239 1.00 1.11 H new ATOM 0 HA3 GLY A 81 -4.937 7.466 4.270 1.00 1.11 H new ATOM 1261 N TYR A 82 -4.059 5.904 2.476 1.00 0.73 N ATOM 1262 CA TYR A 82 -3.702 5.127 1.285 1.00 0.68 C ATOM 1263 C TYR A 82 -3.136 3.766 1.657 1.00 0.66 C ATOM 1264 O TYR A 82 -2.352 3.617 2.592 1.00 0.69 O ATOM 1265 CB TYR A 82 -2.732 5.834 0.337 1.00 0.69 C ATOM 1266 CG TYR A 82 -3.309 7.056 -0.322 1.00 0.73 C ATOM 1267 CD1 TYR A 82 -3.325 8.296 0.342 1.00 2.10 C ATOM 1268 CD2 TYR A 82 -3.842 6.938 -1.612 1.00 1.94 C ATOM 1269 CE1 TYR A 82 -3.880 9.424 -0.290 1.00 2.11 C ATOM 1270 CE2 TYR A 82 -4.368 8.064 -2.256 1.00 1.96 C ATOM 1271 CZ TYR A 82 -4.408 9.313 -1.596 1.00 0.82 C ATOM 1272 OH TYR A 82 -4.970 10.394 -2.205 1.00 0.91 O ATOM 0 H TYR A 82 -3.391 6.633 2.725 1.00 0.73 H new ATOM 0 HA TYR A 82 -4.642 5.008 0.746 1.00 0.68 H new ATOM 0 HB2 TYR A 82 -1.839 6.120 0.893 1.00 0.69 H new ATOM 0 HB3 TYR A 82 -2.416 5.132 -0.434 1.00 0.69 H new ATOM 0 HD1 TYR A 82 -2.912 8.382 1.336 1.00 2.10 H new ATOM 0 HD2 TYR A 82 -3.847 5.979 -2.109 1.00 1.94 H new ATOM 0 HE1 TYR A 82 -3.902 10.374 0.223 1.00 2.11 H new ATOM 0 HE2 TYR A 82 -4.746 7.978 -3.264 1.00 1.96 H new ATOM 0 HH TYR A 82 -5.281 10.141 -3.099 1.00 0.91 H new ATOM 1282 N HIS A 83 -3.551 2.747 0.919 1.00 0.64 N ATOM 1283 CA HIS A 83 -3.173 1.370 1.229 1.00 0.67 C ATOM 1284 C HIS A 83 -3.347 0.470 0.017 1.00 0.69 C ATOM 1285 O HIS A 83 -4.310 0.617 -0.734 1.00 0.83 O ATOM 1286 CB HIS A 83 -3.923 0.831 2.455 1.00 0.72 C ATOM 1287 CG HIS A 83 -5.414 0.782 2.284 1.00 0.75 C ATOM 1288 ND1 HIS A 83 -6.256 1.864 2.361 1.00 0.71 N ATOM 1289 CD2 HIS A 83 -6.161 -0.301 1.893 1.00 0.81 C ATOM 1290 CE1 HIS A 83 -7.480 1.459 2.006 1.00 0.75 C ATOM 1291 NE2 HIS A 83 -7.479 0.143 1.742 1.00 0.81 N ATOM 0 H HIS A 83 -4.150 2.845 0.100 1.00 0.64 H new ATOM 0 HA HIS A 83 -2.114 1.371 1.488 1.00 0.67 H new ATOM 0 HB2 HIS A 83 -3.560 -0.172 2.679 1.00 0.72 H new ATOM 0 HB3 HIS A 83 -3.686 1.455 3.317 1.00 0.72 H new ATOM 0 HD1 HIS A 83 -5.994 2.810 2.640 1.00 0.71 H new ATOM 0 HD2 HIS A 83 -5.800 -1.306 1.732 1.00 0.81 H new ATOM 0 HE1 HIS A 83 -8.347 2.100 1.941 1.00 0.75 H new ATOM 1299 N PHE A 84 -2.476 -0.524 -0.120 1.00 0.60 N ATOM 1300 CA PHE A 84 -2.723 -1.617 -1.048 1.00 0.64 C ATOM 1301 C PHE A 84 -3.749 -2.551 -0.417 1.00 0.67 C ATOM 1302 O PHE A 84 -3.631 -2.849 0.768 1.00 0.78 O ATOM 1303 CB PHE A 84 -1.406 -2.342 -1.355 1.00 0.68 C ATOM 1304 CG PHE A 84 -0.476 -1.504 -2.206 1.00 0.70 C ATOM 1305 CD1 PHE A 84 -0.673 -1.460 -3.600 1.00 1.51 C ATOM 1306 CD2 PHE A 84 0.528 -0.714 -1.616 1.00 1.97 C ATOM 1307 CE1 PHE A 84 0.130 -0.631 -4.397 1.00 1.54 C ATOM 1308 CE2 PHE A 84 1.325 0.126 -2.416 1.00 1.98 C ATOM 1309 CZ PHE A 84 1.114 0.177 -3.803 1.00 0.80 C ATOM 0 H PHE A 84 -1.599 -0.594 0.397 1.00 0.60 H new ATOM 0 HA PHE A 84 -3.117 -1.246 -1.994 1.00 0.64 H new ATOM 0 HB2 PHE A 84 -0.908 -2.598 -0.420 1.00 0.68 H new ATOM 0 HB3 PHE A 84 -1.620 -3.279 -1.869 1.00 0.68 H new ATOM 0 HD1 PHE A 84 -1.443 -2.065 -4.056 1.00 1.51 H new ATOM 0 HD2 PHE A 84 0.687 -0.752 -0.548 1.00 1.97 H new ATOM 0 HE1 PHE A 84 -0.008 -0.614 -5.468 1.00 1.54 H new ATOM 0 HE2 PHE A 84 2.097 0.730 -1.964 1.00 1.98 H new ATOM 0 HZ PHE A 84 1.709 0.839 -4.415 1.00 0.80 H new ATOM 1319 N MET A 85 -4.740 -3.021 -1.176 1.00 0.68 N ATOM 1320 CA MET A 85 -5.469 -4.248 -0.842 1.00 0.82 C ATOM 1321 C MET A 85 -4.939 -5.406 -1.664 1.00 0.65 C ATOM 1322 O MET A 85 -4.693 -5.271 -2.861 1.00 0.63 O ATOM 1323 CB MET A 85 -6.989 -4.121 -0.900 1.00 1.30 C ATOM 1324 CG MET A 85 -7.385 -3.305 0.336 1.00 1.96 C ATOM 1325 SD MET A 85 -9.136 -3.142 0.762 1.00 0.91 S ATOM 1326 CE MET A 85 -9.145 -4.091 2.312 1.00 1.04 C ATOM 0 H MET A 85 -5.059 -2.568 -2.032 1.00 0.68 H new ATOM 0 HA MET A 85 -5.275 -4.452 0.211 1.00 0.82 H new ATOM 0 HB2 MET A 85 -7.305 -3.622 -1.816 1.00 1.30 H new ATOM 0 HB3 MET A 85 -7.464 -5.102 -0.890 1.00 1.30 H new ATOM 0 HG2 MET A 85 -6.878 -3.744 1.195 1.00 1.96 H new ATOM 0 HG3 MET A 85 -6.983 -2.300 0.208 1.00 1.96 H new ATOM 0 HE1 MET A 85 -10.172 -4.222 2.652 1.00 1.04 H new ATOM 0 HE2 MET A 85 -8.691 -5.067 2.143 1.00 1.04 H new ATOM 0 HE3 MET A 85 -8.577 -3.553 3.071 1.00 1.04 H new ATOM 1336 N LEU A 86 -4.749 -6.527 -0.980 1.00 0.65 N ATOM 1337 CA LEU A 86 -4.237 -7.768 -1.525 1.00 0.58 C ATOM 1338 C LEU A 86 -5.436 -8.695 -1.706 1.00 0.49 C ATOM 1339 O LEU A 86 -6.026 -9.136 -0.722 1.00 0.61 O ATOM 1340 CB LEU A 86 -3.222 -8.349 -0.534 1.00 0.65 C ATOM 1341 CG LEU A 86 -1.809 -7.727 -0.542 1.00 0.78 C ATOM 1342 CD1 LEU A 86 -1.749 -6.276 -0.037 1.00 1.02 C ATOM 1343 CD2 LEU A 86 -0.907 -8.587 0.357 1.00 1.44 C ATOM 0 H LEU A 86 -4.959 -6.594 0.016 1.00 0.65 H new ATOM 0 HA LEU A 86 -3.733 -7.631 -2.481 1.00 0.58 H new ATOM 0 HB2 LEU A 86 -3.632 -8.248 0.471 1.00 0.65 H new ATOM 0 HB3 LEU A 86 -3.125 -9.416 -0.733 1.00 0.65 H new ATOM 0 HG LEU A 86 -1.482 -7.706 -1.581 1.00 0.78 H new ATOM 0 HD11 LEU A 86 -0.720 -5.919 -0.077 1.00 1.02 H new ATOM 0 HD12 LEU A 86 -2.376 -5.645 -0.667 1.00 1.02 H new ATOM 0 HD13 LEU A 86 -2.108 -6.233 0.991 1.00 1.02 H new ATOM 0 HD21 LEU A 86 0.100 -8.169 0.369 1.00 1.44 H new ATOM 0 HD22 LEU A 86 -1.308 -8.598 1.371 1.00 1.44 H new ATOM 0 HD23 LEU A 86 -0.872 -9.605 -0.030 1.00 1.44 H new ATOM 1355 N LEU A 87 -5.820 -8.938 -2.958 1.00 0.49 N ATOM 1356 CA LEU A 87 -7.011 -9.683 -3.359 1.00 0.55 C ATOM 1357 C LEU A 87 -6.581 -11.090 -3.795 1.00 0.56 C ATOM 1358 O LEU A 87 -5.673 -11.270 -4.609 1.00 0.66 O ATOM 1359 CB LEU A 87 -7.748 -8.958 -4.514 1.00 0.72 C ATOM 1360 CG LEU A 87 -8.435 -7.592 -4.258 1.00 1.12 C ATOM 1361 CD1 LEU A 87 -9.556 -7.656 -3.213 1.00 1.45 C ATOM 1362 CD2 LEU A 87 -7.454 -6.510 -3.819 1.00 2.79 C ATOM 0 H LEU A 87 -5.283 -8.604 -3.758 1.00 0.49 H new ATOM 0 HA LEU A 87 -7.702 -9.751 -2.518 1.00 0.55 H new ATOM 0 HB2 LEU A 87 -7.027 -8.812 -5.318 1.00 0.72 H new ATOM 0 HB3 LEU A 87 -8.511 -9.639 -4.890 1.00 0.72 H new ATOM 0 HG LEU A 87 -8.863 -7.335 -5.227 1.00 1.12 H new ATOM 0 HD11 LEU A 87 -9.991 -6.665 -3.085 1.00 1.45 H new ATOM 0 HD12 LEU A 87 -10.327 -8.350 -3.548 1.00 1.45 H new ATOM 0 HD13 LEU A 87 -9.148 -7.998 -2.262 1.00 1.45 H new ATOM 0 HD21 LEU A 87 -7.992 -5.576 -3.655 1.00 2.79 H new ATOM 0 HD22 LEU A 87 -6.966 -6.815 -2.894 1.00 2.79 H new ATOM 0 HD23 LEU A 87 -6.702 -6.364 -4.595 1.00 2.79 H new ATOM 1374 N GLY A 88 -7.265 -12.100 -3.265 1.00 0.56 N ATOM 1375 CA GLY A 88 -7.072 -13.507 -3.644 1.00 0.64 C ATOM 1376 C GLY A 88 -5.763 -14.092 -3.109 1.00 0.82 C ATOM 1377 O GLY A 88 -4.939 -14.577 -3.881 1.00 1.73 O ATOM 0 H GLY A 88 -7.980 -11.968 -2.550 1.00 0.56 H new ATOM 0 HA2 GLY A 88 -7.908 -14.097 -3.269 1.00 0.64 H new ATOM 0 HA3 GLY A 88 -7.084 -13.591 -4.731 1.00 0.64 H new ATOM 1381 N LEU A 89 -5.548 -13.976 -1.802 1.00 0.44 N ATOM 1382 CA LEU A 89 -4.377 -14.467 -1.080 1.00 0.42 C ATOM 1383 C LEU A 89 -3.965 -15.910 -1.376 1.00 0.50 C ATOM 1384 O LEU A 89 -4.763 -16.770 -1.741 1.00 0.65 O ATOM 1385 CB LEU A 89 -4.545 -14.332 0.439 1.00 0.44 C ATOM 1386 CG LEU A 89 -5.148 -13.025 0.982 1.00 0.45 C ATOM 1387 CD1 LEU A 89 -5.087 -13.123 2.505 1.00 0.57 C ATOM 1388 CD2 LEU A 89 -4.400 -11.765 0.524 1.00 0.44 C ATOM 0 H LEU A 89 -6.218 -13.515 -1.187 1.00 0.44 H new ATOM 0 HA LEU A 89 -3.581 -13.823 -1.455 1.00 0.42 H new ATOM 0 HB2 LEU A 89 -5.170 -15.157 0.781 1.00 0.44 H new ATOM 0 HB3 LEU A 89 -3.565 -14.464 0.897 1.00 0.44 H new ATOM 0 HG LEU A 89 -6.164 -12.922 0.600 1.00 0.45 H new ATOM 0 HD11 LEU A 89 -5.504 -12.217 2.945 1.00 0.57 H new ATOM 0 HD12 LEU A 89 -5.663 -13.986 2.837 1.00 0.57 H new ATOM 0 HD13 LEU A 89 -4.050 -13.235 2.821 1.00 0.57 H new ATOM 0 HD21 LEU A 89 -4.882 -10.883 0.945 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -3.366 -11.812 0.865 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -4.421 -11.705 -0.564 1.00 0.44 H new ATOM 1400 N LYS A 90 -2.683 -16.165 -1.119 1.00 0.55 N ATOM 1401 CA LYS A 90 -2.056 -17.484 -1.292 1.00 0.63 C ATOM 1402 C LYS A 90 -1.660 -18.166 0.029 1.00 0.72 C ATOM 1403 O LYS A 90 -1.557 -19.388 0.105 1.00 0.85 O ATOM 1404 CB LYS A 90 -0.823 -17.343 -2.178 1.00 0.66 C ATOM 1405 CG LYS A 90 -1.002 -16.563 -3.495 1.00 0.66 C ATOM 1406 CD LYS A 90 -2.089 -17.158 -4.396 1.00 1.10 C ATOM 1407 CE LYS A 90 -2.003 -16.589 -5.819 1.00 1.09 C ATOM 1408 NZ LYS A 90 -2.843 -17.338 -6.786 1.00 1.68 N ATOM 0 H LYS A 90 -2.037 -15.453 -0.779 1.00 0.55 H new ATOM 0 HA LYS A 90 -2.806 -18.125 -1.756 1.00 0.63 H new ATOM 0 HB2 LYS A 90 -0.041 -16.855 -1.597 1.00 0.66 H new ATOM 0 HB3 LYS A 90 -0.463 -18.343 -2.421 1.00 0.66 H new ATOM 0 HG2 LYS A 90 -1.253 -15.527 -3.267 1.00 0.66 H new ATOM 0 HG3 LYS A 90 -0.056 -16.550 -4.036 1.00 0.66 H new ATOM 0 HD2 LYS A 90 -1.985 -18.243 -4.428 1.00 1.10 H new ATOM 0 HD3 LYS A 90 -3.071 -16.944 -3.975 1.00 1.10 H new ATOM 0 HE2 LYS A 90 -2.313 -15.544 -5.808 1.00 1.09 H new ATOM 0 HE3 LYS A 90 -0.965 -16.610 -6.152 1.00 1.09 H new ATOM 0 HZ1 LYS A 90 -2.574 -17.075 -7.756 1.00 1.68 H new ATOM 0 HZ2 LYS A 90 -2.700 -18.359 -6.652 1.00 1.68 H new ATOM 0 HZ3 LYS A 90 -3.844 -17.105 -6.629 1.00 1.68 H new ATOM 1422 N ARG A 91 -1.421 -17.357 1.059 1.00 0.72 N ATOM 1423 CA ARG A 91 -1.247 -17.733 2.465 1.00 0.83 C ATOM 1424 C ARG A 91 -2.255 -16.948 3.324 1.00 0.78 C ATOM 1425 O ARG A 91 -2.423 -15.757 3.055 1.00 0.75 O ATOM 1426 CB ARG A 91 0.174 -17.352 2.928 1.00 0.98 C ATOM 1427 CG ARG A 91 1.245 -18.344 2.450 1.00 1.56 C ATOM 1428 CD ARG A 91 2.687 -17.854 2.664 1.00 2.14 C ATOM 1429 NE ARG A 91 3.013 -17.519 4.069 1.00 2.59 N ATOM 1430 CZ ARG A 91 4.198 -17.082 4.501 1.00 3.75 C ATOM 1431 NH1 ARG A 91 5.211 -16.914 3.676 1.00 4.74 N ATOM 1432 NH2 ARG A 91 4.410 -16.809 5.772 1.00 4.58 N ATOM 0 H ARG A 91 -1.337 -16.349 0.926 1.00 0.72 H new ATOM 0 HA ARG A 91 -1.404 -18.806 2.572 1.00 0.83 H new ATOM 0 HB2 ARG A 91 0.417 -16.356 2.557 1.00 0.98 H new ATOM 0 HB3 ARG A 91 0.194 -17.300 4.017 1.00 0.98 H new ATOM 0 HG2 ARG A 91 1.111 -19.290 2.976 1.00 1.56 H new ATOM 0 HG3 ARG A 91 1.093 -18.545 1.389 1.00 1.56 H new ATOM 0 HD2 ARG A 91 3.376 -18.624 2.317 1.00 2.14 H new ATOM 0 HD3 ARG A 91 2.855 -16.973 2.044 1.00 2.14 H new ATOM 0 HE ARG A 91 2.273 -17.631 4.762 1.00 2.59 H new ATOM 0 HH11 ARG A 91 5.099 -17.119 2.683 1.00 4.74 H new ATOM 0 HH12 ARG A 91 6.107 -16.579 4.030 1.00 4.74 H new ATOM 0 HH21 ARG A 91 3.659 -16.930 6.452 1.00 4.58 H new ATOM 0 HH22 ARG A 91 5.325 -16.476 6.076 1.00 4.58 H new ATOM 1446 N PRO A 92 -2.846 -17.554 4.373 1.00 0.89 N ATOM 1447 CA PRO A 92 -3.462 -16.812 5.467 1.00 0.99 C ATOM 1448 C PRO A 92 -2.372 -16.170 6.336 1.00 1.05 C ATOM 1449 O PRO A 92 -1.220 -16.615 6.349 1.00 1.45 O ATOM 1450 CB PRO A 92 -4.280 -17.843 6.245 1.00 1.16 C ATOM 1451 CG PRO A 92 -3.459 -19.122 6.071 1.00 1.18 C ATOM 1452 CD PRO A 92 -2.868 -18.980 4.666 1.00 1.02 C ATOM 0 HA PRO A 92 -4.098 -15.998 5.121 1.00 0.99 H new ATOM 0 HB2 PRO A 92 -4.385 -17.569 7.295 1.00 1.16 H new ATOM 0 HB3 PRO A 92 -5.287 -17.950 5.841 1.00 1.16 H new ATOM 0 HG2 PRO A 92 -2.679 -19.204 6.828 1.00 1.18 H new ATOM 0 HG3 PRO A 92 -4.081 -20.013 6.156 1.00 1.18 H new ATOM 0 HD2 PRO A 92 -1.864 -19.401 4.623 1.00 1.02 H new ATOM 0 HD3 PRO A 92 -3.471 -19.518 3.934 1.00 1.02 H new ATOM 1460 N LEU A 93 -2.737 -15.099 7.044 1.00 1.21 N ATOM 1461 CA LEU A 93 -1.801 -14.221 7.755 1.00 1.26 C ATOM 1462 C LEU A 93 -1.673 -14.598 9.247 1.00 1.54 C ATOM 1463 O LEU A 93 -2.510 -15.293 9.817 1.00 2.55 O ATOM 1464 CB LEU A 93 -2.265 -12.760 7.543 1.00 1.94 C ATOM 1465 CG LEU A 93 -2.070 -12.149 6.123 1.00 1.47 C ATOM 1466 CD1 LEU A 93 -0.705 -11.470 6.025 1.00 1.83 C ATOM 1467 CD2 LEU A 93 -2.193 -13.087 4.913 1.00 1.58 C ATOM 0 H LEU A 93 -3.711 -14.811 7.142 1.00 1.21 H new ATOM 0 HA LEU A 93 -0.796 -14.340 7.350 1.00 1.26 H new ATOM 0 HB2 LEU A 93 -3.324 -12.703 7.793 1.00 1.94 H new ATOM 0 HB3 LEU A 93 -1.735 -12.130 8.257 1.00 1.94 H new ATOM 0 HG LEU A 93 -2.915 -11.464 6.050 1.00 1.47 H new ATOM 0 HD11 LEU A 93 -0.580 -11.047 5.028 1.00 1.83 H new ATOM 0 HD12 LEU A 93 -0.640 -10.675 6.768 1.00 1.83 H new ATOM 0 HD13 LEU A 93 0.080 -12.203 6.209 1.00 1.83 H new ATOM 0 HD21 LEU A 93 -2.033 -12.520 3.996 1.00 1.58 H new ATOM 0 HD22 LEU A 93 -1.445 -13.876 4.987 1.00 1.58 H new ATOM 0 HD23 LEU A 93 -3.188 -13.531 4.896 1.00 1.58 H new ATOM 1479 N LYS A 94 -0.593 -14.123 9.877 1.00 1.12 N ATOM 1480 CA LYS A 94 -0.277 -14.249 11.310 1.00 1.48 C ATOM 1481 C LYS A 94 0.158 -12.894 11.890 1.00 1.15 C ATOM 1482 O LYS A 94 0.190 -11.896 11.183 1.00 1.58 O ATOM 1483 CB LYS A 94 0.875 -15.255 11.463 1.00 2.21 C ATOM 1484 CG LYS A 94 0.628 -16.648 10.859 1.00 2.11 C ATOM 1485 CD LYS A 94 1.953 -17.409 10.911 1.00 3.15 C ATOM 1486 CE LYS A 94 1.971 -18.642 10.003 1.00 3.54 C ATOM 1487 NZ LYS A 94 3.368 -19.045 9.702 1.00 4.61 N ATOM 0 H LYS A 94 0.129 -13.609 9.373 1.00 1.12 H new ATOM 0 HA LYS A 94 -1.163 -14.588 11.847 1.00 1.48 H new ATOM 0 HB2 LYS A 94 1.767 -14.832 11.001 1.00 2.21 H new ATOM 0 HB3 LYS A 94 1.092 -15.373 12.525 1.00 2.21 H new ATOM 0 HG2 LYS A 94 -0.142 -17.179 11.419 1.00 2.11 H new ATOM 0 HG3 LYS A 94 0.274 -16.564 9.832 1.00 2.11 H new ATOM 0 HD2 LYS A 94 2.762 -16.739 10.621 1.00 3.15 H new ATOM 0 HD3 LYS A 94 2.148 -17.718 11.938 1.00 3.15 H new ATOM 0 HE2 LYS A 94 1.445 -19.465 10.487 1.00 3.54 H new ATOM 0 HE3 LYS A 94 1.441 -18.426 9.076 1.00 3.54 H new ATOM 0 HZ1 LYS A 94 3.431 -19.367 8.715 1.00 4.61 H new ATOM 0 HZ2 LYS A 94 4.002 -18.232 9.843 1.00 4.61 H new ATOM 0 HZ3 LYS A 94 3.651 -19.818 10.337 1.00 4.61 H new ATOM 1501 N ALA A 95 0.542 -12.882 13.157 1.00 1.58 N ATOM 1502 CA ALA A 95 1.419 -11.867 13.723 1.00 1.50 C ATOM 1503 C ALA A 95 2.816 -12.483 13.902 1.00 1.48 C ATOM 1504 O ALA A 95 2.923 -13.703 14.081 1.00 1.65 O ATOM 1505 CB ALA A 95 0.781 -11.432 15.040 1.00 1.73 C ATOM 0 H ALA A 95 0.249 -13.588 13.832 1.00 1.58 H new ATOM 0 HA ALA A 95 1.539 -10.990 13.086 1.00 1.50 H new ATOM 0 HB1 ALA A 95 1.400 -10.668 15.509 1.00 1.73 H new ATOM 0 HB2 ALA A 95 -0.212 -11.026 14.847 1.00 1.73 H new ATOM 0 HB3 ALA A 95 0.698 -12.291 15.706 1.00 1.73 H new ATOM 1511 N GLY A 96 3.869 -11.670 13.820 1.00 1.44 N ATOM 1512 CA GLY A 96 5.252 -12.113 14.038 1.00 1.52 C ATOM 1513 C GLY A 96 5.850 -12.915 12.877 1.00 1.58 C ATOM 1514 O GLY A 96 6.606 -13.856 13.098 1.00 1.77 O ATOM 0 H GLY A 96 3.789 -10.677 13.599 1.00 1.44 H new ATOM 0 HA2 GLY A 96 5.877 -11.238 14.219 1.00 1.52 H new ATOM 0 HA3 GLY A 96 5.287 -12.722 14.941 1.00 1.52 H new ATOM 1518 N GLU A 97 5.515 -12.547 11.640 1.00 1.61 N ATOM 1519 CA GLU A 97 6.262 -12.916 10.427 1.00 1.70 C ATOM 1520 C GLU A 97 6.697 -11.654 9.675 1.00 1.40 C ATOM 1521 O GLU A 97 6.375 -10.541 10.080 1.00 1.20 O ATOM 1522 CB GLU A 97 5.420 -13.783 9.477 1.00 1.92 C ATOM 1523 CG GLU A 97 5.013 -15.121 10.086 1.00 2.44 C ATOM 1524 CD GLU A 97 4.632 -16.142 9.007 1.00 2.33 C ATOM 1525 OE1 GLU A 97 3.638 -15.955 8.274 1.00 2.15 O ATOM 1526 OE2 GLU A 97 5.228 -17.239 8.959 1.00 3.34 O ATOM 0 H GLU A 97 4.697 -11.970 11.444 1.00 1.61 H new ATOM 0 HA GLU A 97 7.131 -13.491 10.747 1.00 1.70 H new ATOM 0 HB2 GLU A 97 4.523 -13.233 9.193 1.00 1.92 H new ATOM 0 HB3 GLU A 97 5.986 -13.964 8.563 1.00 1.92 H new ATOM 0 HG2 GLU A 97 5.835 -15.514 10.685 1.00 2.44 H new ATOM 0 HG3 GLU A 97 4.170 -14.973 10.761 1.00 2.44 H new ATOM 1533 N GLU A 98 7.351 -11.831 8.530 1.00 1.41 N ATOM 1534 CA GLU A 98 7.852 -10.817 7.627 1.00 1.28 C ATOM 1535 C GLU A 98 7.556 -11.348 6.223 1.00 1.30 C ATOM 1536 O GLU A 98 7.692 -12.542 5.949 1.00 1.62 O ATOM 1537 CB GLU A 98 9.355 -10.593 7.847 1.00 1.39 C ATOM 1538 CG GLU A 98 9.650 -9.888 9.184 1.00 2.21 C ATOM 1539 CD GLU A 98 11.138 -9.855 9.538 1.00 2.65 C ATOM 1540 OE1 GLU A 98 11.965 -10.113 8.636 1.00 2.99 O ATOM 1541 OE2 GLU A 98 11.427 -9.558 10.718 1.00 3.63 O ATOM 0 H GLU A 98 7.558 -12.769 8.188 1.00 1.41 H new ATOM 0 HA GLU A 98 7.380 -9.848 7.789 1.00 1.28 H new ATOM 0 HB2 GLU A 98 9.871 -11.553 7.823 1.00 1.39 H new ATOM 0 HB3 GLU A 98 9.755 -9.996 7.028 1.00 1.39 H new ATOM 0 HG2 GLU A 98 9.272 -8.867 9.139 1.00 2.21 H new ATOM 0 HG3 GLU A 98 9.106 -10.394 9.981 1.00 2.21 H new ATOM 1548 N VAL A 99 7.051 -10.464 5.374 1.00 1.00 N ATOM 1549 CA VAL A 99 6.512 -10.747 4.030 1.00 0.97 C ATOM 1550 C VAL A 99 6.878 -9.609 3.071 1.00 0.67 C ATOM 1551 O VAL A 99 7.012 -8.451 3.466 1.00 0.67 O ATOM 1552 CB VAL A 99 4.976 -10.977 4.071 1.00 1.24 C ATOM 1553 CG1 VAL A 99 4.317 -11.087 2.683 1.00 1.32 C ATOM 1554 CG2 VAL A 99 4.632 -12.274 4.828 1.00 1.68 C ATOM 0 H VAL A 99 6.999 -9.472 5.607 1.00 1.00 H new ATOM 0 HA VAL A 99 6.963 -11.670 3.665 1.00 0.97 H new ATOM 0 HB VAL A 99 4.586 -10.093 4.575 1.00 1.24 H new ATOM 0 HG11 VAL A 99 3.245 -11.247 2.801 1.00 1.32 H new ATOM 0 HG12 VAL A 99 4.487 -10.166 2.125 1.00 1.32 H new ATOM 0 HG13 VAL A 99 4.751 -11.926 2.139 1.00 1.32 H new ATOM 0 HG21 VAL A 99 3.551 -12.411 4.842 1.00 1.68 H new ATOM 0 HG22 VAL A 99 5.099 -13.122 4.327 1.00 1.68 H new ATOM 0 HG23 VAL A 99 5.003 -12.207 5.851 1.00 1.68 H new ATOM 1564 N GLU A 100 7.051 -9.965 1.800 1.00 0.63 N ATOM 1565 CA GLU A 100 7.530 -9.085 0.738 1.00 0.55 C ATOM 1566 C GLU A 100 6.417 -8.536 -0.172 1.00 0.56 C ATOM 1567 O GLU A 100 5.414 -9.203 -0.452 1.00 0.66 O ATOM 1568 CB GLU A 100 8.617 -9.794 -0.089 1.00 0.68 C ATOM 1569 CG GLU A 100 8.253 -11.233 -0.483 1.00 1.51 C ATOM 1570 CD GLU A 100 9.064 -11.690 -1.687 1.00 1.58 C ATOM 1571 OE1 GLU A 100 10.291 -11.480 -1.718 1.00 1.95 O ATOM 1572 OE2 GLU A 100 8.449 -12.141 -2.673 1.00 2.55 O ATOM 0 H GLU A 100 6.854 -10.910 1.470 1.00 0.63 H new ATOM 0 HA GLU A 100 7.956 -8.213 1.233 1.00 0.55 H new ATOM 0 HB2 GLU A 100 8.808 -9.216 -0.993 1.00 0.68 H new ATOM 0 HB3 GLU A 100 9.545 -9.807 0.482 1.00 0.68 H new ATOM 0 HG2 GLU A 100 8.436 -11.902 0.358 1.00 1.51 H new ATOM 0 HG3 GLU A 100 7.189 -11.293 -0.712 1.00 1.51 H new ATOM 1579 N LEU A 101 6.660 -7.317 -0.670 1.00 0.55 N ATOM 1580 CA LEU A 101 5.939 -6.643 -1.751 1.00 0.53 C ATOM 1581 C LEU A 101 6.928 -6.165 -2.830 1.00 0.51 C ATOM 1582 O LEU A 101 8.112 -5.961 -2.567 1.00 0.73 O ATOM 1583 CB LEU A 101 5.134 -5.438 -1.204 1.00 0.56 C ATOM 1584 CG LEU A 101 3.620 -5.679 -1.034 1.00 0.82 C ATOM 1585 CD1 LEU A 101 3.273 -6.537 0.191 1.00 1.60 C ATOM 1586 CD2 LEU A 101 2.889 -4.333 -0.909 1.00 1.67 C ATOM 0 H LEU A 101 7.416 -6.739 -0.302 1.00 0.55 H new ATOM 0 HA LEU A 101 5.242 -7.354 -2.194 1.00 0.53 H new ATOM 0 HB2 LEU A 101 5.550 -5.152 -0.238 1.00 0.56 H new ATOM 0 HB3 LEU A 101 5.277 -4.592 -1.876 1.00 0.56 H new ATOM 0 HG LEU A 101 3.297 -6.225 -1.921 1.00 0.82 H new ATOM 0 HD11 LEU A 101 2.192 -6.667 0.250 1.00 1.60 H new ATOM 0 HD12 LEU A 101 3.751 -7.512 0.099 1.00 1.60 H new ATOM 0 HD13 LEU A 101 3.629 -6.042 1.095 1.00 1.60 H new ATOM 0 HD21 LEU A 101 1.820 -4.509 -0.789 1.00 1.67 H new ATOM 0 HD22 LEU A 101 3.267 -3.793 -0.041 1.00 1.67 H new ATOM 0 HD23 LEU A 101 3.061 -3.741 -1.808 1.00 1.67 H new ATOM 1598 N ASP A 102 6.421 -5.936 -4.041 1.00 0.55 N ATOM 1599 CA ASP A 102 7.189 -5.625 -5.253 1.00 0.54 C ATOM 1600 C ASP A 102 6.587 -4.412 -5.984 1.00 0.69 C ATOM 1601 O ASP A 102 5.636 -4.539 -6.752 1.00 1.33 O ATOM 1602 CB ASP A 102 7.180 -6.882 -6.136 1.00 0.96 C ATOM 1603 CG ASP A 102 8.074 -7.979 -5.556 1.00 1.49 C ATOM 1604 OD1 ASP A 102 7.574 -8.799 -4.753 1.00 2.79 O ATOM 1605 OD2 ASP A 102 9.273 -8.016 -5.903 1.00 2.04 O ATOM 0 H ASP A 102 5.416 -5.963 -4.215 1.00 0.55 H new ATOM 0 HA ASP A 102 8.215 -5.355 -5.003 1.00 0.54 H new ATOM 0 HB2 ASP A 102 6.160 -7.254 -6.231 1.00 0.96 H new ATOM 0 HB3 ASP A 102 7.520 -6.626 -7.139 1.00 0.96 H new ATOM 1610 N LEU A 103 7.099 -3.210 -5.718 1.00 0.53 N ATOM 1611 CA LEU A 103 6.491 -1.944 -6.128 1.00 0.53 C ATOM 1612 C LEU A 103 6.767 -1.648 -7.604 1.00 0.48 C ATOM 1613 O LEU A 103 7.897 -1.773 -8.068 1.00 0.58 O ATOM 1614 CB LEU A 103 7.030 -0.802 -5.251 1.00 0.61 C ATOM 1615 CG LEU A 103 6.362 -0.673 -3.871 1.00 0.81 C ATOM 1616 CD1 LEU A 103 6.469 -1.931 -3.002 1.00 1.24 C ATOM 1617 CD2 LEU A 103 7.000 0.512 -3.142 1.00 0.97 C ATOM 0 H LEU A 103 7.969 -3.087 -5.199 1.00 0.53 H new ATOM 0 HA LEU A 103 5.412 -2.025 -5.998 1.00 0.53 H new ATOM 0 HB2 LEU A 103 8.101 -0.948 -5.108 1.00 0.61 H new ATOM 0 HB3 LEU A 103 6.906 0.138 -5.788 1.00 0.61 H new ATOM 0 HG LEU A 103 5.296 -0.522 -4.040 1.00 0.81 H new ATOM 0 HD11 LEU A 103 5.973 -1.757 -2.047 1.00 1.24 H new ATOM 0 HD12 LEU A 103 5.991 -2.767 -3.512 1.00 1.24 H new ATOM 0 HD13 LEU A 103 7.519 -2.165 -2.828 1.00 1.24 H new ATOM 0 HD21 LEU A 103 6.542 0.624 -2.159 1.00 0.97 H new ATOM 0 HD22 LEU A 103 8.069 0.335 -3.026 1.00 0.97 H new ATOM 0 HD23 LEU A 103 6.844 1.422 -3.721 1.00 0.97 H new ATOM 1629 N LEU A 104 5.725 -1.203 -8.313 1.00 0.37 N ATOM 1630 CA LEU A 104 5.718 -0.919 -9.747 1.00 0.37 C ATOM 1631 C LEU A 104 5.696 0.600 -9.984 1.00 0.41 C ATOM 1632 O LEU A 104 4.769 1.304 -9.570 1.00 0.48 O ATOM 1633 CB LEU A 104 4.487 -1.610 -10.379 1.00 0.40 C ATOM 1634 CG LEU A 104 4.341 -3.122 -10.087 1.00 0.46 C ATOM 1635 CD1 LEU A 104 3.072 -3.660 -10.766 1.00 0.69 C ATOM 1636 CD2 LEU A 104 5.559 -3.933 -10.550 1.00 0.54 C ATOM 0 H LEU A 104 4.820 -1.023 -7.879 1.00 0.37 H new ATOM 0 HA LEU A 104 6.622 -1.308 -10.216 1.00 0.37 H new ATOM 0 HB2 LEU A 104 3.589 -1.103 -10.027 1.00 0.40 H new ATOM 0 HB3 LEU A 104 4.530 -1.470 -11.459 1.00 0.40 H new ATOM 0 HG LEU A 104 4.269 -3.237 -9.005 1.00 0.46 H new ATOM 0 HD11 LEU A 104 2.972 -4.725 -10.558 1.00 0.69 H new ATOM 0 HD12 LEU A 104 2.201 -3.132 -10.379 1.00 0.69 H new ATOM 0 HD13 LEU A 104 3.142 -3.505 -11.843 1.00 0.69 H new ATOM 0 HD21 LEU A 104 5.403 -4.987 -10.320 1.00 0.54 H new ATOM 0 HD22 LEU A 104 5.690 -3.811 -11.625 1.00 0.54 H new ATOM 0 HD23 LEU A 104 6.451 -3.577 -10.034 1.00 0.54 H new ATOM 1648 N PHE A 105 6.723 1.114 -10.657 1.00 0.47 N ATOM 1649 CA PHE A 105 6.970 2.544 -10.860 1.00 0.51 C ATOM 1650 C PHE A 105 6.951 2.901 -12.360 1.00 0.54 C ATOM 1651 O PHE A 105 7.382 2.122 -13.213 1.00 0.71 O ATOM 1652 CB PHE A 105 8.322 2.881 -10.227 1.00 0.60 C ATOM 1653 CG PHE A 105 8.327 2.922 -8.712 1.00 0.60 C ATOM 1654 CD1 PHE A 105 7.888 4.075 -8.033 1.00 1.84 C ATOM 1655 CD2 PHE A 105 8.828 1.828 -7.977 1.00 1.87 C ATOM 1656 CE1 PHE A 105 8.010 4.160 -6.636 1.00 1.92 C ATOM 1657 CE2 PHE A 105 8.951 1.921 -6.582 1.00 1.81 C ATOM 1658 CZ PHE A 105 8.563 3.092 -5.914 1.00 0.70 C ATOM 0 H PHE A 105 7.434 0.526 -11.093 1.00 0.47 H new ATOM 0 HA PHE A 105 6.182 3.132 -10.388 1.00 0.51 H new ATOM 0 HB2 PHE A 105 9.055 2.145 -10.558 1.00 0.60 H new ATOM 0 HB3 PHE A 105 8.651 3.850 -10.603 1.00 0.60 H new ATOM 0 HD1 PHE A 105 7.457 4.895 -8.587 1.00 1.84 H new ATOM 0 HD2 PHE A 105 9.116 0.920 -8.486 1.00 1.87 H new ATOM 0 HE1 PHE A 105 7.678 5.048 -6.118 1.00 1.92 H new ATOM 0 HE2 PHE A 105 9.346 1.087 -6.020 1.00 1.81 H new ATOM 0 HZ PHE A 105 8.690 3.171 -4.844 1.00 0.70 H new ATOM 1668 N ALA A 106 6.461 4.101 -12.695 1.00 0.64 N ATOM 1669 CA ALA A 106 6.177 4.505 -14.076 1.00 0.62 C ATOM 1670 C ALA A 106 7.406 4.454 -15.008 1.00 1.38 C ATOM 1671 O ALA A 106 8.452 5.059 -14.747 1.00 2.19 O ATOM 1672 CB ALA A 106 5.524 5.893 -14.070 1.00 1.24 C ATOM 0 H ALA A 106 6.249 4.825 -12.008 1.00 0.64 H new ATOM 0 HA ALA A 106 5.485 3.774 -14.495 1.00 0.62 H new ATOM 0 HB1 ALA A 106 5.310 6.199 -15.094 1.00 1.24 H new ATOM 0 HB2 ALA A 106 4.595 5.856 -13.501 1.00 1.24 H new ATOM 0 HB3 ALA A 106 6.202 6.612 -13.610 1.00 1.24 H new ATOM 1678 N GLY A 107 7.252 3.739 -16.129 1.00 2.03 N ATOM 1679 CA GLY A 107 8.282 3.557 -17.156 1.00 2.95 C ATOM 1680 C GLY A 107 9.322 2.509 -16.762 1.00 2.56 C ATOM 1681 O GLY A 107 10.477 2.861 -16.539 1.00 3.59 O ATOM 0 H GLY A 107 6.381 3.257 -16.352 1.00 2.03 H new ATOM 0 HA2 GLY A 107 7.809 3.261 -18.092 1.00 2.95 H new ATOM 0 HA3 GLY A 107 8.781 4.509 -17.338 1.00 2.95 H new ATOM 1685 N GLY A 108 8.909 1.235 -16.704 1.00 1.43 N ATOM 1686 CA GLY A 108 9.812 0.072 -16.688 1.00 1.42 C ATOM 1687 C GLY A 108 10.572 -0.178 -15.383 1.00 1.21 C ATOM 1688 O GLY A 108 11.603 -0.841 -15.416 1.00 1.54 O ATOM 0 H GLY A 108 7.923 0.978 -16.666 1.00 1.43 H new ATOM 0 HA2 GLY A 108 9.227 -0.818 -16.920 1.00 1.42 H new ATOM 0 HA3 GLY A 108 10.540 0.193 -17.490 1.00 1.42 H new ATOM 1692 N LYS A 109 10.117 0.352 -14.243 1.00 0.84 N ATOM 1693 CA LYS A 109 10.852 0.282 -12.973 1.00 0.73 C ATOM 1694 C LYS A 109 10.127 -0.593 -11.946 1.00 0.65 C ATOM 1695 O LYS A 109 8.915 -0.470 -11.788 1.00 0.85 O ATOM 1696 CB LYS A 109 11.009 1.711 -12.436 1.00 0.81 C ATOM 1697 CG LYS A 109 11.972 2.539 -13.293 1.00 1.18 C ATOM 1698 CD LYS A 109 11.519 4.007 -13.352 1.00 1.71 C ATOM 1699 CE LYS A 109 12.074 4.711 -14.596 1.00 2.48 C ATOM 1700 NZ LYS A 109 11.190 5.827 -15.007 1.00 3.60 N ATOM 0 H LYS A 109 9.226 0.843 -14.173 1.00 0.84 H new ATOM 0 HA LYS A 109 11.827 -0.174 -13.147 1.00 0.73 H new ATOM 0 HB2 LYS A 109 10.034 2.199 -12.410 1.00 0.81 H new ATOM 0 HB3 LYS A 109 11.375 1.675 -11.410 1.00 0.81 H new ATOM 0 HG2 LYS A 109 12.978 2.480 -12.879 1.00 1.18 H new ATOM 0 HG3 LYS A 109 12.017 2.126 -14.301 1.00 1.18 H new ATOM 0 HD2 LYS A 109 10.430 4.054 -13.360 1.00 1.71 H new ATOM 0 HD3 LYS A 109 11.854 4.530 -12.456 1.00 1.71 H new ATOM 0 HE2 LYS A 109 13.074 5.091 -14.389 1.00 2.48 H new ATOM 0 HE3 LYS A 109 12.168 3.996 -15.413 1.00 2.48 H new ATOM 0 HZ1 LYS A 109 11.398 6.090 -15.991 1.00 3.60 H new ATOM 0 HZ2 LYS A 109 10.197 5.529 -14.931 1.00 3.60 H new ATOM 0 HZ3 LYS A 109 11.354 6.646 -14.387 1.00 3.60 H new ATOM 1714 N VAL A 110 10.888 -1.407 -11.216 1.00 0.65 N ATOM 1715 CA VAL A 110 10.378 -2.295 -10.160 1.00 0.62 C ATOM 1716 C VAL A 110 11.344 -2.291 -8.972 1.00 0.65 C ATOM 1717 O VAL A 110 12.554 -2.179 -9.178 1.00 0.75 O ATOM 1718 CB VAL A 110 10.134 -3.744 -10.668 1.00 0.66 C ATOM 1719 CG1 VAL A 110 9.550 -4.674 -9.583 1.00 1.85 C ATOM 1720 CG2 VAL A 110 9.194 -3.776 -11.887 1.00 1.79 C ATOM 0 H VAL A 110 11.898 -1.473 -11.341 1.00 0.65 H new ATOM 0 HA VAL A 110 9.409 -1.910 -9.843 1.00 0.62 H new ATOM 0 HB VAL A 110 11.121 -4.110 -10.950 1.00 0.66 H new ATOM 0 HG11 VAL A 110 9.402 -5.671 -9.999 1.00 1.85 H new ATOM 0 HG12 VAL A 110 10.241 -4.731 -8.742 1.00 1.85 H new ATOM 0 HG13 VAL A 110 8.594 -4.278 -9.241 1.00 1.85 H new ATOM 0 HG21 VAL A 110 9.051 -4.807 -12.209 1.00 1.79 H new ATOM 0 HG22 VAL A 110 8.231 -3.344 -11.615 1.00 1.79 H new ATOM 0 HG23 VAL A 110 9.634 -3.199 -12.701 1.00 1.79 H new ATOM 1730 N LEU A 111 10.812 -2.410 -7.748 1.00 0.63 N ATOM 1731 CA LEU A 111 11.582 -2.451 -6.502 1.00 0.65 C ATOM 1732 C LEU A 111 10.920 -3.376 -5.469 1.00 0.63 C ATOM 1733 O LEU A 111 9.806 -3.120 -5.017 1.00 0.86 O ATOM 1734 CB LEU A 111 11.704 -1.011 -5.969 1.00 0.79 C ATOM 1735 CG LEU A 111 12.448 -0.857 -4.624 1.00 1.27 C ATOM 1736 CD1 LEU A 111 13.896 -1.357 -4.707 1.00 2.14 C ATOM 1737 CD2 LEU A 111 12.430 0.620 -4.203 1.00 1.73 C ATOM 0 H LEU A 111 9.806 -2.482 -7.595 1.00 0.63 H new ATOM 0 HA LEU A 111 12.575 -2.859 -6.692 1.00 0.65 H new ATOM 0 HB2 LEU A 111 12.217 -0.408 -6.718 1.00 0.79 H new ATOM 0 HB3 LEU A 111 10.702 -0.598 -5.858 1.00 0.79 H new ATOM 0 HG LEU A 111 11.934 -1.468 -3.882 1.00 1.27 H new ATOM 0 HD11 LEU A 111 14.381 -1.230 -3.739 1.00 2.14 H new ATOM 0 HD12 LEU A 111 13.901 -2.412 -4.979 1.00 2.14 H new ATOM 0 HD13 LEU A 111 14.436 -0.785 -5.461 1.00 2.14 H new ATOM 0 HD21 LEU A 111 12.954 0.734 -3.254 1.00 1.73 H new ATOM 0 HD22 LEU A 111 12.925 1.222 -4.965 1.00 1.73 H new ATOM 0 HD23 LEU A 111 11.398 0.954 -4.090 1.00 1.73 H new ATOM 1749 N LYS A 112 11.631 -4.412 -5.025 1.00 0.73 N ATOM 1750 CA LYS A 112 11.162 -5.282 -3.940 1.00 0.78 C ATOM 1751 C LYS A 112 11.386 -4.625 -2.564 1.00 0.76 C ATOM 1752 O LYS A 112 12.444 -4.051 -2.305 1.00 0.98 O ATOM 1753 CB LYS A 112 11.839 -6.656 -4.072 1.00 1.07 C ATOM 1754 CG LYS A 112 11.293 -7.674 -3.055 1.00 1.42 C ATOM 1755 CD LYS A 112 11.899 -9.069 -3.268 1.00 1.73 C ATOM 1756 CE LYS A 112 11.308 -9.839 -4.461 1.00 1.70 C ATOM 1757 NZ LYS A 112 9.910 -10.271 -4.222 1.00 2.47 N ATOM 0 H LYS A 112 12.542 -4.673 -5.402 1.00 0.73 H new ATOM 0 HA LYS A 112 10.085 -5.431 -4.021 1.00 0.78 H new ATOM 0 HB2 LYS A 112 11.688 -7.038 -5.082 1.00 1.07 H new ATOM 0 HB3 LYS A 112 12.914 -6.544 -3.930 1.00 1.07 H new ATOM 0 HG2 LYS A 112 11.513 -7.332 -2.044 1.00 1.42 H new ATOM 0 HG3 LYS A 112 10.208 -7.731 -3.143 1.00 1.42 H new ATOM 0 HD2 LYS A 112 12.975 -8.967 -3.413 1.00 1.73 H new ATOM 0 HD3 LYS A 112 11.754 -9.658 -2.362 1.00 1.73 H new ATOM 0 HE2 LYS A 112 11.343 -9.209 -5.349 1.00 1.70 H new ATOM 0 HE3 LYS A 112 11.925 -10.714 -4.666 1.00 1.70 H new ATOM 0 HZ1 LYS A 112 9.347 -10.116 -5.082 1.00 2.47 H new ATOM 0 HZ2 LYS A 112 9.896 -11.282 -3.977 1.00 2.47 H new ATOM 0 HZ3 LYS A 112 9.505 -9.719 -3.439 1.00 2.47 H new ATOM 1771 N VAL A 113 10.395 -4.743 -1.678 1.00 0.72 N ATOM 1772 CA VAL A 113 10.415 -4.324 -0.268 1.00 0.82 C ATOM 1773 C VAL A 113 10.024 -5.503 0.637 1.00 0.70 C ATOM 1774 O VAL A 113 9.423 -6.468 0.163 1.00 0.73 O ATOM 1775 CB VAL A 113 9.480 -3.118 -0.014 1.00 1.11 C ATOM 1776 CG1 VAL A 113 9.900 -1.892 -0.842 1.00 2.45 C ATOM 1777 CG2 VAL A 113 7.994 -3.428 -0.233 1.00 2.77 C ATOM 0 H VAL A 113 9.501 -5.159 -1.938 1.00 0.72 H new ATOM 0 HA VAL A 113 11.430 -4.007 -0.029 1.00 0.82 H new ATOM 0 HB VAL A 113 9.594 -2.887 1.045 1.00 1.11 H new ATOM 0 HG11 VAL A 113 9.220 -1.065 -0.638 1.00 2.45 H new ATOM 0 HG12 VAL A 113 10.916 -1.602 -0.573 1.00 2.45 H new ATOM 0 HG13 VAL A 113 9.862 -2.139 -1.903 1.00 2.45 H new ATOM 0 HG21 VAL A 113 7.403 -2.534 -0.036 1.00 2.77 H new ATOM 0 HG22 VAL A 113 7.837 -3.747 -1.263 1.00 2.77 H new ATOM 0 HG23 VAL A 113 7.685 -4.224 0.444 1.00 2.77 H new ATOM 1787 N VAL A 114 10.349 -5.419 1.932 1.00 0.76 N ATOM 1788 CA VAL A 114 10.022 -6.423 2.961 1.00 0.69 C ATOM 1789 C VAL A 114 9.520 -5.706 4.219 1.00 0.71 C ATOM 1790 O VAL A 114 10.088 -4.692 4.621 1.00 0.88 O ATOM 1791 CB VAL A 114 11.235 -7.321 3.314 1.00 0.89 C ATOM 1792 CG1 VAL A 114 10.822 -8.459 4.267 1.00 1.57 C ATOM 1793 CG2 VAL A 114 11.876 -7.948 2.063 1.00 1.87 C ATOM 0 H VAL A 114 10.865 -4.624 2.309 1.00 0.76 H new ATOM 0 HA VAL A 114 9.247 -7.075 2.559 1.00 0.69 H new ATOM 0 HB VAL A 114 11.963 -6.670 3.798 1.00 0.89 H new ATOM 0 HG11 VAL A 114 11.692 -9.074 4.498 1.00 1.57 H new ATOM 0 HG12 VAL A 114 10.422 -8.035 5.188 1.00 1.57 H new ATOM 0 HG13 VAL A 114 10.059 -9.075 3.790 1.00 1.57 H new ATOM 0 HG21 VAL A 114 12.722 -8.569 2.360 1.00 1.87 H new ATOM 0 HG22 VAL A 114 11.139 -8.562 1.546 1.00 1.87 H new ATOM 0 HG23 VAL A 114 12.222 -7.158 1.397 1.00 1.87 H new ATOM 1803 N LEU A 115 8.441 -6.227 4.814 1.00 0.71 N ATOM 1804 CA LEU A 115 7.708 -5.635 5.942 1.00 0.87 C ATOM 1805 C LEU A 115 7.146 -6.730 6.888 1.00 0.80 C ATOM 1806 O LEU A 115 6.787 -7.815 6.415 1.00 0.81 O ATOM 1807 CB LEU A 115 6.589 -4.692 5.445 1.00 1.13 C ATOM 1808 CG LEU A 115 5.709 -5.193 4.277 1.00 1.33 C ATOM 1809 CD1 LEU A 115 4.306 -4.584 4.368 1.00 2.39 C ATOM 1810 CD2 LEU A 115 6.307 -4.791 2.919 1.00 1.73 C ATOM 0 H LEU A 115 8.036 -7.112 4.510 1.00 0.71 H new ATOM 0 HA LEU A 115 8.414 -5.037 6.518 1.00 0.87 H new ATOM 0 HB2 LEU A 115 5.936 -4.469 6.289 1.00 1.13 H new ATOM 0 HB3 LEU A 115 7.050 -3.752 5.142 1.00 1.13 H new ATOM 0 HG LEU A 115 5.662 -6.279 4.353 1.00 1.33 H new ATOM 0 HD11 LEU A 115 3.698 -4.946 3.539 1.00 2.39 H new ATOM 0 HD12 LEU A 115 3.844 -4.875 5.311 1.00 2.39 H new ATOM 0 HD13 LEU A 115 4.377 -3.497 4.319 1.00 2.39 H new ATOM 0 HD21 LEU A 115 5.666 -5.157 2.117 1.00 1.73 H new ATOM 0 HD22 LEU A 115 6.378 -3.705 2.860 1.00 1.73 H new ATOM 0 HD23 LEU A 115 7.301 -5.226 2.816 1.00 1.73 H new ATOM 1822 N PRO A 116 7.038 -6.463 8.204 1.00 0.81 N ATOM 1823 CA PRO A 116 6.432 -7.380 9.162 1.00 0.84 C ATOM 1824 C PRO A 116 4.928 -7.574 8.945 1.00 0.84 C ATOM 1825 O PRO A 116 4.207 -6.684 8.476 1.00 0.86 O ATOM 1826 CB PRO A 116 6.740 -6.810 10.552 1.00 0.90 C ATOM 1827 CG PRO A 116 6.919 -5.316 10.280 1.00 0.87 C ATOM 1828 CD PRO A 116 7.588 -5.316 8.910 1.00 0.89 C ATOM 0 HA PRO A 116 6.850 -8.379 9.039 1.00 0.84 H new ATOM 0 HB2 PRO A 116 5.928 -6.998 11.254 1.00 0.90 H new ATOM 0 HB3 PRO A 116 7.640 -7.253 10.979 1.00 0.90 H new ATOM 0 HG2 PRO A 116 5.966 -4.787 10.268 1.00 0.87 H new ATOM 0 HG3 PRO A 116 7.540 -4.836 11.036 1.00 0.87 H new ATOM 0 HD2 PRO A 116 7.382 -4.390 8.373 1.00 0.89 H new ATOM 0 HD3 PRO A 116 8.671 -5.396 9.003 1.00 0.89 H new ATOM 1836 N VAL A 117 4.453 -8.751 9.344 1.00 0.97 N ATOM 1837 CA VAL A 117 3.034 -9.088 9.384 1.00 1.14 C ATOM 1838 C VAL A 117 2.520 -8.832 10.792 1.00 1.12 C ATOM 1839 O VAL A 117 2.991 -9.464 11.733 1.00 1.12 O ATOM 1840 CB VAL A 117 2.768 -10.559 9.013 1.00 1.36 C ATOM 1841 CG1 VAL A 117 1.276 -10.692 8.701 1.00 1.50 C ATOM 1842 CG2 VAL A 117 3.529 -11.006 7.755 1.00 1.59 C ATOM 0 H VAL A 117 5.057 -9.512 9.655 1.00 0.97 H new ATOM 0 HA VAL A 117 2.519 -8.468 8.650 1.00 1.14 H new ATOM 0 HB VAL A 117 3.097 -11.176 9.849 1.00 1.36 H new ATOM 0 HG11 VAL A 117 1.051 -11.724 8.433 1.00 1.50 H new ATOM 0 HG12 VAL A 117 0.694 -10.409 9.578 1.00 1.50 H new ATOM 0 HG13 VAL A 117 1.019 -10.037 7.869 1.00 1.50 H new ATOM 0 HG21 VAL A 117 3.301 -12.051 7.544 1.00 1.59 H new ATOM 0 HG22 VAL A 117 3.225 -10.390 6.908 1.00 1.59 H new ATOM 0 HG23 VAL A 117 4.601 -10.894 7.919 1.00 1.59 H new ATOM 1852 N GLU A 118 1.554 -7.925 10.922 1.00 1.22 N ATOM 1853 CA GLU A 118 0.896 -7.561 12.178 1.00 1.28 C ATOM 1854 C GLU A 118 -0.563 -7.178 11.894 1.00 1.36 C ATOM 1855 O GLU A 118 -1.017 -7.253 10.750 1.00 2.00 O ATOM 1856 CB GLU A 118 1.671 -6.424 12.887 1.00 1.54 C ATOM 1857 CG GLU A 118 2.951 -6.887 13.604 1.00 2.36 C ATOM 1858 CD GLU A 118 2.712 -8.040 14.590 1.00 4.13 C ATOM 1859 OE1 GLU A 118 1.653 -8.020 15.257 1.00 4.75 O ATOM 1860 OE2 GLU A 118 3.565 -8.953 14.636 1.00 5.59 O ATOM 0 H GLU A 118 1.193 -7.402 10.124 1.00 1.22 H new ATOM 0 HA GLU A 118 0.896 -8.414 12.857 1.00 1.28 H new ATOM 0 HB2 GLU A 118 1.935 -5.665 12.151 1.00 1.54 H new ATOM 0 HB3 GLU A 118 1.012 -5.948 13.614 1.00 1.54 H new ATOM 0 HG2 GLU A 118 3.683 -7.201 12.860 1.00 2.36 H new ATOM 0 HG3 GLU A 118 3.384 -6.043 14.141 1.00 2.36 H new