USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1034 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 90 THR OG1 : rot -31:sc= 1.12 USER MOD Set 1.2: A 91 ASN : amide:sc= 1.05 K(o=2.2,f=1.1) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 1.07 USER MOD Set 2.2: A 86 LYS NZ :NH3+ 148:sc= 1.22 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= 1.16 (180deg=-0.715) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.04 K(o=-1,f=-1.8) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -131:sc= 1.69 (180deg=-2.34) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 59:sc= 0.953 USER MOD Single : A 40 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 47 CYS SG : rot 59:sc= -1.35! USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0389 (180deg=-0.239) USER MOD Single : A 52 LYS NZ :NH3+ -110:sc= 1.29 (180deg=-0.482) USER MOD Single : A 53 SER OG : rot 75:sc= 0.968 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.895 K(o=-0.89,f=-4.3!) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.0766 F(o=-0.46,f=0.077) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= 0.936 (180deg=0.327) USER MOD Single : A 64 LYS NZ :NH3+ 146:sc= 1.25 (180deg=-0.0957) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.375 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.399 F(o=-1.1,f=-0.4) USER MOD Single : A 77 LYS NZ :NH3+ -125:sc= 1.25 (180deg=-0.0803) USER MOD Single : A 80 ASN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 56:sc= 0.385 USER MOD Single : A 92 SER OG : rot 88:sc= 0.283 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= 0.259 K(o=0.26,f=-2.8!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.667 K(o=-0.67,f=-5.1!) USER MOD Single : A 106 SER OG : rot 71:sc= 0.109 USER MOD Single : A 109 TYR OH : rot 39:sc= -0.405 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 112 MET CE :methyl -120:sc= -0.68 (180deg=-5.03!) USER MOD Single : A 114 GLN : amide:sc= 0.358 X(o=0.36,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot -2:sc= 0.908 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -87:sc= 1.12 USER MOD Single : A 126 TYR OH : rot -41:sc= 0.392 USER MOD Single : A 130 MET CE :methyl 142:sc= -0.837 (180deg=-2.72) USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 -18.376 -10.370 -5.690 1.00 0.00 N ATOM 32 CA VAL A 3 -18.671 -10.489 -4.267 1.00 0.00 C ATOM 33 C VAL A 3 -20.121 -10.113 -3.962 1.00 0.00 C ATOM 34 O VAL A 3 -20.655 -9.146 -4.515 1.00 0.00 O ATOM 35 CB VAL A 3 -17.711 -9.615 -3.423 1.00 0.00 C ATOM 36 CG1 VAL A 3 -17.804 -8.144 -3.824 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.986 -9.793 -1.931 1.00 0.00 C ATOM 0 HA VAL A 3 -18.523 -11.534 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.693 -9.949 -3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.118 -7.556 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.537 -8.036 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.823 -7.788 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.300 -9.170 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.013 -9.499 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.842 -10.838 -1.657 1.00 0.00 H new ATOM 47 N SER A 4 -20.752 -10.897 -3.096 1.00 0.00 N ATOM 48 CA SER A 4 -22.115 -10.636 -2.650 1.00 0.00 C ATOM 49 C SER A 4 -22.130 -9.502 -1.618 1.00 0.00 C ATOM 50 O SER A 4 -21.149 -9.311 -0.891 1.00 0.00 O ATOM 51 CB SER A 4 -22.709 -11.917 -2.050 1.00 0.00 C ATOM 52 OG SER A 4 -22.605 -12.994 -2.966 1.00 0.00 O ATOM 0 H SER A 4 -20.334 -11.731 -2.684 1.00 0.00 H new ATOM 0 HA SER A 4 -22.720 -10.327 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.188 -12.167 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.755 -11.752 -1.792 1.00 0.00 H new ATOM 0 HG SER A 4 -22.987 -13.802 -2.565 1.00 0.00 H new ATOM 58 N PRO A 5 -23.244 -8.743 -1.532 1.00 0.00 N ATOM 59 CA PRO A 5 -23.357 -7.589 -0.624 1.00 0.00 C ATOM 60 C PRO A 5 -23.022 -7.945 0.826 1.00 0.00 C ATOM 61 O PRO A 5 -22.447 -7.134 1.552 1.00 0.00 O ATOM 62 CB PRO A 5 -24.830 -7.154 -0.753 1.00 0.00 C ATOM 63 CG PRO A 5 -25.521 -8.295 -1.430 1.00 0.00 C ATOM 64 CD PRO A 5 -24.483 -8.938 -2.305 1.00 0.00 C ATOM 0 HA PRO A 5 -22.650 -6.803 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -25.268 -6.953 0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.920 -6.238 -1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.912 -9.004 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -26.368 -7.945 -2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.693 -9.994 -2.474 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.428 -8.463 -3.285 1.00 0.00 H new ATOM 72 N GLU A 6 -23.377 -9.163 1.234 1.00 0.00 N ATOM 73 CA GLU A 6 -23.124 -9.624 2.600 1.00 0.00 C ATOM 74 C GLU A 6 -21.627 -9.618 2.911 1.00 0.00 C ATOM 75 O GLU A 6 -21.191 -9.030 3.900 1.00 0.00 O ATOM 76 CB GLU A 6 -23.699 -11.033 2.808 1.00 0.00 C ATOM 77 CG GLU A 6 -25.202 -11.126 2.565 1.00 0.00 C ATOM 78 CD GLU A 6 -25.986 -10.091 3.357 1.00 0.00 C ATOM 79 OE1 GLU A 6 -26.019 -10.186 4.605 1.00 0.00 O ATOM 80 OE2 GLU A 6 -26.564 -9.174 2.738 1.00 0.00 O ATOM 0 H GLU A 6 -23.841 -9.849 0.638 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.621 -8.936 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -23.189 -11.726 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -23.484 -11.356 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -25.404 -10.994 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -25.549 -12.124 2.834 1.00 0.00 H new ATOM 87 N GLU A 7 -20.847 -10.266 2.053 1.00 0.00 N ATOM 88 CA GLU A 7 -19.397 -10.312 2.215 1.00 0.00 C ATOM 89 C GLU A 7 -18.807 -8.912 2.056 1.00 0.00 C ATOM 90 O GLU A 7 -17.882 -8.535 2.773 1.00 0.00 O ATOM 91 CB GLU A 7 -18.783 -11.280 1.193 1.00 0.00 C ATOM 92 CG GLU A 7 -17.260 -11.384 1.247 1.00 0.00 C ATOM 93 CD GLU A 7 -16.737 -11.970 2.552 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.235 -13.028 2.977 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.795 -11.393 3.135 1.00 0.00 O ATOM 0 H GLU A 7 -21.195 -10.768 1.236 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.161 -10.673 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.207 -12.271 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.077 -10.964 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.916 -12.001 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.831 -10.392 1.105 1.00 0.00 H new ATOM 102 N ALA A 8 -19.371 -8.142 1.127 1.00 0.00 N ATOM 103 CA ALA A 8 -18.906 -6.784 0.857 1.00 0.00 C ATOM 104 C ALA A 8 -18.999 -5.908 2.107 1.00 0.00 C ATOM 105 O ALA A 8 -18.014 -5.300 2.521 1.00 0.00 O ATOM 106 CB ALA A 8 -19.702 -6.171 -0.290 1.00 0.00 C ATOM 0 H ALA A 8 -20.155 -8.438 0.546 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.857 -6.836 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.345 -5.159 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.572 -6.776 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.758 -6.139 -0.023 1.00 0.00 H new ATOM 112 N VAL A 9 -20.185 -5.859 2.714 1.00 0.00 N ATOM 113 CA VAL A 9 -20.399 -5.047 3.915 1.00 0.00 C ATOM 114 C VAL A 9 -19.600 -5.606 5.090 1.00 0.00 C ATOM 115 O VAL A 9 -19.228 -4.879 6.015 1.00 0.00 O ATOM 116 CB VAL A 9 -21.904 -4.972 4.313 1.00 0.00 C ATOM 117 CG1 VAL A 9 -22.751 -4.414 3.172 1.00 0.00 C ATOM 118 CG2 VAL A 9 -22.430 -6.337 4.755 1.00 0.00 C ATOM 0 H VAL A 9 -21.009 -6.369 2.397 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.057 -4.040 3.678 1.00 0.00 H new ATOM 0 HB VAL A 9 -21.983 -4.289 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.796 -4.374 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.408 -3.410 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -22.655 -5.059 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -23.482 -6.251 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -22.323 -7.050 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -21.861 -6.685 5.617 1.00 0.00 H new ATOM 128 N LYS A 10 -19.320 -6.902 5.028 1.00 0.00 N ATOM 129 CA LYS A 10 -18.648 -7.610 6.109 1.00 0.00 C ATOM 130 C LYS A 10 -17.146 -7.299 6.133 1.00 0.00 C ATOM 131 O LYS A 10 -16.449 -7.652 7.085 1.00 0.00 O ATOM 132 CB LYS A 10 -18.902 -9.115 5.952 1.00 0.00 C ATOM 133 CG LYS A 10 -18.392 -9.978 7.102 1.00 0.00 C ATOM 134 CD LYS A 10 -18.911 -11.410 6.992 1.00 0.00 C ATOM 135 CE LYS A 10 -18.554 -12.044 5.652 1.00 0.00 C ATOM 136 NZ LYS A 10 -19.191 -13.374 5.478 1.00 0.00 N ATOM 0 H LYS A 10 -19.552 -7.491 4.228 1.00 0.00 H new ATOM 0 HA LYS A 10 -19.053 -7.274 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -19.974 -9.278 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -18.433 -9.453 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.302 -9.983 7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -18.708 -9.546 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.493 -12.010 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -19.994 -11.414 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.867 -11.383 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.472 -12.148 5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.922 -13.769 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.873 -14.013 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.225 -13.272 5.523 1.00 0.00 H new ATOM 150 N TRP A 11 -16.653 -6.623 5.094 1.00 0.00 N ATOM 151 CA TRP A 11 -15.241 -6.229 5.034 1.00 0.00 C ATOM 152 C TRP A 11 -14.914 -5.190 6.105 1.00 0.00 C ATOM 153 O TRP A 11 -13.746 -4.996 6.451 1.00 0.00 O ATOM 154 CB TRP A 11 -14.883 -5.678 3.647 1.00 0.00 C ATOM 155 CG TRP A 11 -14.950 -6.703 2.554 1.00 0.00 C ATOM 156 CD1 TRP A 11 -14.824 -8.056 2.688 1.00 0.00 C ATOM 157 CD2 TRP A 11 -15.140 -6.456 1.158 1.00 0.00 C ATOM 158 NE1 TRP A 11 -14.940 -8.664 1.464 1.00 0.00 N ATOM 159 CE2 TRP A 11 -15.129 -7.704 0.510 1.00 0.00 C ATOM 160 CE3 TRP A 11 -15.324 -5.301 0.393 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -15.292 -7.830 -0.864 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -15.487 -5.428 -0.974 1.00 0.00 C ATOM 163 CH2 TRP A 11 -15.468 -6.686 -1.588 1.00 0.00 C ATOM 0 H TRP A 11 -17.206 -6.337 4.286 1.00 0.00 H new ATOM 0 HA TRP A 11 -14.644 -7.122 5.221 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -15.560 -4.858 3.406 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.876 -5.261 3.680 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -14.657 -8.572 3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -14.893 -9.669 1.294 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -15.339 -4.328 0.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -15.280 -8.798 -1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.631 -4.544 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -15.595 -6.753 -2.658 1.00 0.00 H new ATOM 174 N GLY A 12 -15.954 -4.546 6.634 1.00 0.00 N ATOM 175 CA GLY A 12 -15.786 -3.495 7.627 1.00 0.00 C ATOM 176 C GLY A 12 -15.457 -4.036 9.008 1.00 0.00 C ATOM 177 O GLY A 12 -16.210 -3.834 9.966 1.00 0.00 O ATOM 0 H GLY A 12 -16.925 -4.738 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.990 -2.823 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.700 -2.904 7.682 1.00 0.00 H new ATOM 181 N GLU A 13 -14.336 -4.735 9.104 1.00 0.00 N ATOM 182 CA GLU A 13 -13.841 -5.255 10.378 1.00 0.00 C ATOM 183 C GLU A 13 -12.317 -5.351 10.356 1.00 0.00 C ATOM 184 O GLU A 13 -11.646 -5.048 11.348 1.00 0.00 O ATOM 185 CB GLU A 13 -14.448 -6.634 10.690 1.00 0.00 C ATOM 186 CG GLU A 13 -14.120 -7.711 9.658 1.00 0.00 C ATOM 187 CD GLU A 13 -14.509 -9.108 10.121 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.676 -9.506 9.923 1.00 0.00 O ATOM 189 OE2 GLU A 13 -13.649 -9.810 10.694 1.00 0.00 O ATOM 0 H GLU A 13 -13.742 -4.959 8.306 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.145 -4.562 11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.092 -6.962 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.531 -6.534 10.762 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.638 -7.485 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.052 -7.689 9.443 1.00 0.00 H new ATOM 196 N SER A 14 -11.775 -5.766 9.216 1.00 0.00 N ATOM 197 CA SER A 14 -10.341 -5.974 9.072 1.00 0.00 C ATOM 198 C SER A 14 -9.868 -5.532 7.688 1.00 0.00 C ATOM 199 O SER A 14 -10.389 -5.987 6.664 1.00 0.00 O ATOM 200 CB SER A 14 -10.002 -7.452 9.300 1.00 0.00 C ATOM 201 OG SER A 14 -10.340 -7.864 10.615 1.00 0.00 O ATOM 0 H SER A 14 -12.313 -5.966 8.373 1.00 0.00 H new ATOM 0 HA SER A 14 -9.826 -5.370 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.538 -8.066 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.938 -7.613 9.129 1.00 0.00 H new ATOM 0 HG SER A 14 -10.114 -8.811 10.730 1.00 0.00 H new ATOM 207 N PHE A 15 -8.881 -4.644 7.672 1.00 0.00 N ATOM 208 CA PHE A 15 -8.292 -4.143 6.433 1.00 0.00 C ATOM 209 C PHE A 15 -7.720 -5.304 5.618 1.00 0.00 C ATOM 210 O PHE A 15 -7.868 -5.360 4.397 1.00 0.00 O ATOM 211 CB PHE A 15 -7.189 -3.129 6.770 1.00 0.00 C ATOM 212 CG PHE A 15 -6.708 -2.311 5.601 1.00 0.00 C ATOM 213 CD1 PHE A 15 -5.722 -2.789 4.754 1.00 0.00 C ATOM 214 CD2 PHE A 15 -7.239 -1.056 5.358 1.00 0.00 C ATOM 215 CE1 PHE A 15 -5.279 -2.030 3.690 1.00 0.00 C ATOM 216 CE2 PHE A 15 -6.799 -0.294 4.298 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.819 -0.782 3.463 1.00 0.00 C ATOM 0 H PHE A 15 -8.466 -4.250 8.516 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.060 -3.650 5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.559 -2.453 7.541 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.340 -3.664 7.195 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.295 -3.766 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.009 -0.669 6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.510 -2.413 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.222 0.684 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.473 -0.187 2.630 1.00 0.00 H new ATOM 227 N ASP A 16 -7.092 -6.244 6.318 1.00 0.00 N ATOM 228 CA ASP A 16 -6.501 -7.421 5.685 1.00 0.00 C ATOM 229 C ASP A 16 -7.581 -8.296 5.046 1.00 0.00 C ATOM 230 O ASP A 16 -7.327 -8.970 4.048 1.00 0.00 O ATOM 231 CB ASP A 16 -5.692 -8.234 6.706 1.00 0.00 C ATOM 232 CG ASP A 16 -6.534 -8.707 7.882 1.00 0.00 C ATOM 233 OD1 ASP A 16 -6.842 -7.878 8.762 1.00 0.00 O ATOM 234 OD2 ASP A 16 -6.891 -9.903 7.937 1.00 0.00 O ATOM 0 H ASP A 16 -6.978 -6.214 7.331 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.827 -7.079 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.252 -9.098 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.867 -7.626 7.077 1.00 0.00 H new ATOM 239 N LYS A 17 -8.786 -8.274 5.615 1.00 0.00 N ATOM 240 CA LYS A 17 -9.914 -9.017 5.051 1.00 0.00 C ATOM 241 C LYS A 17 -10.292 -8.432 3.692 1.00 0.00 C ATOM 242 O LYS A 17 -10.630 -9.161 2.754 1.00 0.00 O ATOM 243 CB LYS A 17 -11.121 -8.979 6.002 1.00 0.00 C ATOM 244 CG LYS A 17 -12.361 -9.692 5.462 1.00 0.00 C ATOM 245 CD LYS A 17 -13.529 -9.624 6.444 1.00 0.00 C ATOM 246 CE LYS A 17 -14.800 -10.227 5.858 1.00 0.00 C ATOM 247 NZ LYS A 17 -14.660 -11.680 5.570 1.00 0.00 N ATOM 0 H LYS A 17 -9.006 -7.752 6.463 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.616 -10.057 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.837 -9.434 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.374 -7.939 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.656 -9.240 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.120 -10.735 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.265 -10.153 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.713 -8.585 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.625 -10.076 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.058 -9.701 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.814 -11.849 4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.704 -11.995 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.364 -12.212 6.121 1.00 0.00 H new ATOM 261 N LEU A 18 -10.218 -7.108 3.600 1.00 0.00 N ATOM 262 CA LEU A 18 -10.472 -6.395 2.351 1.00 0.00 C ATOM 263 C LEU A 18 -9.486 -6.851 1.270 1.00 0.00 C ATOM 264 O LEU A 18 -9.885 -7.180 0.154 1.00 0.00 O ATOM 265 CB LEU A 18 -10.349 -4.880 2.589 1.00 0.00 C ATOM 266 CG LEU A 18 -10.646 -3.981 1.377 1.00 0.00 C ATOM 267 CD1 LEU A 18 -12.104 -4.111 0.949 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.302 -2.525 1.692 1.00 0.00 C ATOM 0 H LEU A 18 -9.981 -6.501 4.385 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.482 -6.619 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.027 -4.603 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.337 -4.668 2.935 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.020 -4.310 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.290 -3.466 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.313 -5.146 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.753 -3.814 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.519 -1.904 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.898 -2.185 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.243 -2.447 1.939 1.00 0.00 H new ATOM 280 N LEU A 19 -8.202 -6.891 1.627 1.00 0.00 N ATOM 281 CA LEU A 19 -7.144 -7.310 0.698 1.00 0.00 C ATOM 282 C LEU A 19 -7.192 -8.818 0.450 1.00 0.00 C ATOM 283 O LEU A 19 -6.740 -9.299 -0.592 1.00 0.00 O ATOM 284 CB LEU A 19 -5.760 -6.898 1.230 1.00 0.00 C ATOM 285 CG LEU A 19 -5.376 -5.420 1.021 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.259 -5.095 -0.467 1.00 0.00 C ATOM 287 CD2 LEU A 19 -6.380 -4.488 1.695 1.00 0.00 C ATOM 0 H LEU A 19 -7.865 -6.638 2.556 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.316 -6.805 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.722 -7.117 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.006 -7.522 0.749 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.403 -5.261 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.987 -4.047 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.491 -5.724 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.215 -5.282 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.083 -3.452 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.371 -4.653 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.405 -4.692 2.765 1.00 0.00 H new ATOM 299 N SER A 20 -7.737 -9.559 1.415 1.00 0.00 N ATOM 300 CA SER A 20 -7.920 -11.002 1.268 1.00 0.00 C ATOM 301 C SER A 20 -8.825 -11.284 0.068 1.00 0.00 C ATOM 302 O SER A 20 -8.722 -12.328 -0.582 1.00 0.00 O ATOM 303 CB SER A 20 -8.517 -11.598 2.554 1.00 0.00 C ATOM 304 OG SER A 20 -8.602 -13.010 2.481 1.00 0.00 O ATOM 0 H SER A 20 -8.059 -9.183 2.307 1.00 0.00 H new ATOM 0 HA SER A 20 -6.952 -11.472 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.902 -11.313 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.510 -11.181 2.723 1.00 0.00 H new ATOM 0 HG SER A 20 -8.984 -13.358 3.314 1.00 0.00 H new ATOM 310 N HIS A 21 -9.693 -10.323 -0.230 1.00 0.00 N ATOM 311 CA HIS A 21 -10.576 -10.390 -1.388 1.00 0.00 C ATOM 312 C HIS A 21 -10.004 -9.539 -2.514 1.00 0.00 C ATOM 313 O HIS A 21 -9.849 -8.332 -2.358 1.00 0.00 O ATOM 314 CB HIS A 21 -11.979 -9.884 -1.017 1.00 0.00 C ATOM 315 CG HIS A 21 -12.791 -10.858 -0.214 1.00 0.00 C ATOM 316 ND1 HIS A 21 -13.655 -11.767 -0.786 1.00 0.00 N ATOM 317 CD2 HIS A 21 -12.890 -11.043 1.123 1.00 0.00 C ATOM 318 CE1 HIS A 21 -14.246 -12.463 0.162 1.00 0.00 C ATOM 319 NE2 HIS A 21 -13.799 -12.046 1.330 1.00 0.00 N ATOM 0 H HIS A 21 -9.804 -9.475 0.326 1.00 0.00 H new ATOM 0 HA HIS A 21 -10.652 -11.426 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -11.881 -8.957 -0.452 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.520 -9.644 -1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -12.352 -10.500 1.886 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.975 -13.245 0.009 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -14.084 -12.411 2.239 1.00 0.00 H new ATOM 328 N ARG A 22 -9.695 -10.160 -3.646 1.00 0.00 N ATOM 329 CA ARG A 22 -9.148 -9.430 -4.789 1.00 0.00 C ATOM 330 C ARG A 22 -10.180 -8.433 -5.318 1.00 0.00 C ATOM 331 O ARG A 22 -9.826 -7.401 -5.893 1.00 0.00 O ATOM 332 CB ARG A 22 -8.711 -10.407 -5.888 1.00 0.00 C ATOM 333 CG ARG A 22 -7.620 -11.376 -5.432 1.00 0.00 C ATOM 334 CD ARG A 22 -7.138 -12.279 -6.560 1.00 0.00 C ATOM 335 NE ARG A 22 -6.087 -13.195 -6.111 1.00 0.00 N ATOM 336 CZ ARG A 22 -5.259 -13.848 -6.927 1.00 0.00 C ATOM 337 NH1 ARG A 22 -5.341 -13.682 -8.244 1.00 0.00 N ATOM 338 NH2 ARG A 22 -4.343 -14.664 -6.419 1.00 0.00 N ATOM 0 H ARG A 22 -9.812 -11.162 -3.799 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.269 -8.873 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.577 -10.977 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.350 -9.841 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.776 -10.810 -5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.001 -11.990 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.978 -12.853 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.761 -11.667 -7.380 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.981 -13.343 -5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.041 -13.052 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.704 -14.185 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.275 -14.789 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.707 -15.166 -7.039 1.00 0.00 H new ATOM 352 N ASP A 23 -11.455 -8.755 -5.106 1.00 0.00 N ATOM 353 CA ASP A 23 -12.555 -7.836 -5.406 1.00 0.00 C ATOM 354 C ASP A 23 -12.471 -6.611 -4.496 1.00 0.00 C ATOM 355 O ASP A 23 -12.676 -5.478 -4.933 1.00 0.00 O ATOM 356 CB ASP A 23 -13.912 -8.537 -5.217 1.00 0.00 C ATOM 357 CG ASP A 23 -14.125 -9.687 -6.191 1.00 0.00 C ATOM 358 OD1 ASP A 23 -13.519 -10.764 -5.988 1.00 0.00 O ATOM 359 OD2 ASP A 23 -14.886 -9.518 -7.165 1.00 0.00 O ATOM 0 H ASP A 23 -11.755 -9.652 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.470 -7.519 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.982 -8.914 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.713 -7.808 -5.343 1.00 0.00 H new ATOM 364 N GLY A 24 -12.154 -6.857 -3.227 1.00 0.00 N ATOM 365 CA GLY A 24 -12.008 -5.780 -2.261 1.00 0.00 C ATOM 366 C GLY A 24 -10.803 -4.916 -2.570 1.00 0.00 C ATOM 367 O GLY A 24 -10.880 -3.687 -2.551 1.00 0.00 O ATOM 0 H GLY A 24 -11.995 -7.791 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.908 -5.165 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.909 -6.199 -1.260 1.00 0.00 H new ATOM 371 N LEU A 25 -9.689 -5.582 -2.860 1.00 0.00 N ATOM 372 CA LEU A 25 -8.456 -4.923 -3.277 1.00 0.00 C ATOM 373 C LEU A 25 -8.725 -4.027 -4.484 1.00 0.00 C ATOM 374 O LEU A 25 -8.239 -2.895 -4.553 1.00 0.00 O ATOM 375 CB LEU A 25 -7.391 -5.998 -3.595 1.00 0.00 C ATOM 376 CG LEU A 25 -6.031 -5.497 -4.140 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.926 -6.505 -3.821 1.00 0.00 C ATOM 378 CD2 LEU A 25 -6.095 -5.266 -5.651 1.00 0.00 C ATOM 0 H LEU A 25 -9.616 -6.598 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.080 -4.289 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.203 -6.568 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.814 -6.690 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.806 -4.548 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.976 -6.139 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.851 -6.633 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.163 -7.463 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.126 -4.915 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.348 -6.201 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.856 -4.518 -5.873 1.00 0.00 H new ATOM 390 N GLU A 26 -9.514 -4.545 -5.423 1.00 0.00 N ATOM 391 CA GLU A 26 -9.887 -3.807 -6.626 1.00 0.00 C ATOM 392 C GLU A 26 -10.587 -2.504 -6.251 1.00 0.00 C ATOM 393 O GLU A 26 -10.179 -1.420 -6.671 1.00 0.00 O ATOM 394 CB GLU A 26 -10.812 -4.670 -7.496 1.00 0.00 C ATOM 395 CG GLU A 26 -11.175 -4.044 -8.840 1.00 0.00 C ATOM 396 CD GLU A 26 -9.979 -3.906 -9.768 1.00 0.00 C ATOM 397 OE1 GLU A 26 -9.303 -4.927 -10.027 1.00 0.00 O ATOM 398 OE2 GLU A 26 -9.724 -2.787 -10.271 1.00 0.00 O ATOM 0 H GLU A 26 -9.911 -5.483 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.985 -3.568 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.331 -5.632 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.729 -4.871 -6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.937 -4.653 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.613 -3.060 -8.671 1.00 0.00 H new ATOM 405 N ALA A 27 -11.631 -2.621 -5.438 1.00 0.00 N ATOM 406 CA ALA A 27 -12.422 -1.469 -5.026 1.00 0.00 C ATOM 407 C ALA A 27 -11.570 -0.457 -4.259 1.00 0.00 C ATOM 408 O ALA A 27 -11.701 0.755 -4.454 1.00 0.00 O ATOM 409 CB ALA A 27 -13.607 -1.924 -4.181 1.00 0.00 C ATOM 0 H ALA A 27 -11.950 -3.508 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.796 -0.974 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.192 -1.056 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.233 -2.598 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.244 -2.444 -3.295 1.00 0.00 H new ATOM 415 N PHE A 28 -10.685 -0.962 -3.400 1.00 0.00 N ATOM 416 CA PHE A 28 -9.861 -0.103 -2.558 1.00 0.00 C ATOM 417 C PHE A 28 -8.844 0.674 -3.390 1.00 0.00 C ATOM 418 O PHE A 28 -8.719 1.889 -3.241 1.00 0.00 O ATOM 419 CB PHE A 28 -9.139 -0.920 -1.478 1.00 0.00 C ATOM 420 CG PHE A 28 -8.301 -0.069 -0.552 1.00 0.00 C ATOM 421 CD1 PHE A 28 -8.905 0.767 0.376 1.00 0.00 C ATOM 422 CD2 PHE A 28 -6.913 -0.092 -0.623 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.146 1.558 1.217 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.151 0.698 0.214 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.767 1.524 1.135 1.00 0.00 C ATOM 0 H PHE A 28 -10.522 -1.961 -3.271 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.526 0.610 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.877 -1.467 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.500 -1.661 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.982 0.800 0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.425 -0.735 -1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.630 2.202 1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.073 0.671 0.149 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.171 2.142 1.790 1.00 0.00 H new ATOM 435 N THR A 29 -8.125 -0.023 -4.271 1.00 0.00 N ATOM 436 CA THR A 29 -7.086 0.614 -5.078 1.00 0.00 C ATOM 437 C THR A 29 -7.696 1.700 -5.971 1.00 0.00 C ATOM 438 O THR A 29 -7.083 2.743 -6.201 1.00 0.00 O ATOM 439 CB THR A 29 -6.296 -0.415 -5.935 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.164 0.215 -6.551 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.169 -1.046 -7.015 1.00 0.00 C ATOM 0 H THR A 29 -8.242 -1.022 -4.443 1.00 0.00 H new ATOM 0 HA THR A 29 -6.376 1.074 -4.390 1.00 0.00 H new ATOM 0 HB THR A 29 -5.961 -1.204 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.674 -0.444 -7.086 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.578 -1.758 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.008 -1.563 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.546 -0.268 -7.679 1.00 0.00 H new ATOM 449 N ARG A 30 -8.924 1.460 -6.437 1.00 0.00 N ATOM 450 CA ARG A 30 -9.650 2.441 -7.244 1.00 0.00 C ATOM 451 C ARG A 30 -9.832 3.740 -6.463 1.00 0.00 C ATOM 452 O ARG A 30 -9.481 4.823 -6.940 1.00 0.00 O ATOM 453 CB ARG A 30 -11.016 1.882 -7.670 1.00 0.00 C ATOM 454 CG ARG A 30 -10.923 0.741 -8.679 1.00 0.00 C ATOM 455 CD ARG A 30 -10.279 1.201 -9.978 1.00 0.00 C ATOM 456 NE ARG A 30 -10.144 0.111 -10.949 1.00 0.00 N ATOM 457 CZ ARG A 30 -9.978 0.299 -12.262 1.00 0.00 C ATOM 458 NH1 ARG A 30 -9.911 1.530 -12.755 1.00 0.00 N ATOM 459 NH2 ARG A 30 -9.870 -0.744 -13.075 1.00 0.00 N ATOM 0 H ARG A 30 -9.436 0.594 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.066 2.650 -8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.547 1.531 -6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.611 2.688 -8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.342 -0.077 -8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.920 0.352 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.877 2.001 -10.414 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.295 1.619 -9.765 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.179 -0.848 -10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.986 2.334 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.784 1.672 -13.757 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.914 -1.691 -12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.743 -0.599 -14.077 1.00 0.00 H new ATOM 473 N PHE A 31 -10.361 3.620 -5.248 1.00 0.00 N ATOM 474 CA PHE A 31 -10.571 4.776 -4.387 1.00 0.00 C ATOM 475 C PHE A 31 -9.237 5.416 -4.009 1.00 0.00 C ATOM 476 O PHE A 31 -9.096 6.638 -4.023 1.00 0.00 O ATOM 477 CB PHE A 31 -11.346 4.383 -3.120 1.00 0.00 C ATOM 478 CG PHE A 31 -11.447 5.498 -2.107 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.206 6.629 -2.374 1.00 0.00 C ATOM 480 CD2 PHE A 31 -10.769 5.424 -0.897 1.00 0.00 C ATOM 481 CE1 PHE A 31 -12.290 7.657 -1.457 1.00 0.00 C ATOM 482 CE2 PHE A 31 -10.850 6.451 0.024 1.00 0.00 C ATOM 483 CZ PHE A 31 -11.612 7.568 -0.257 1.00 0.00 C ATOM 0 H PHE A 31 -10.652 2.732 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.163 5.503 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.350 4.066 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.859 3.525 -2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -12.737 6.706 -3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.171 4.553 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.886 8.531 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.319 6.380 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.678 8.372 0.461 1.00 0.00 H new ATOM 493 N LEU A 32 -8.255 4.584 -3.694 1.00 0.00 N ATOM 494 CA LEU A 32 -6.961 5.071 -3.234 1.00 0.00 C ATOM 495 C LEU A 32 -6.250 5.845 -4.348 1.00 0.00 C ATOM 496 O LEU A 32 -5.448 6.742 -4.079 1.00 0.00 O ATOM 497 CB LEU A 32 -6.094 3.902 -2.740 1.00 0.00 C ATOM 498 CG LEU A 32 -4.969 4.293 -1.770 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.546 4.875 -0.481 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.073 3.097 -1.467 1.00 0.00 C ATOM 0 H LEU A 32 -8.329 3.568 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.123 5.753 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.739 3.173 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.652 3.406 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.360 5.060 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.733 5.145 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.134 5.762 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.183 4.133 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.284 3.399 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.667 2.303 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.627 2.733 -2.392 1.00 0.00 H new ATOM 512 N LYS A 33 -6.555 5.500 -5.602 1.00 0.00 N ATOM 513 CA LYS A 33 -5.988 6.209 -6.749 1.00 0.00 C ATOM 514 C LYS A 33 -6.653 7.573 -6.936 1.00 0.00 C ATOM 515 O LYS A 33 -5.967 8.569 -7.173 1.00 0.00 O ATOM 516 CB LYS A 33 -6.096 5.376 -8.038 1.00 0.00 C ATOM 517 CG LYS A 33 -5.068 4.250 -8.124 1.00 0.00 C ATOM 518 CD LYS A 33 -5.030 3.606 -9.508 1.00 0.00 C ATOM 519 CE LYS A 33 -3.847 2.651 -9.659 1.00 0.00 C ATOM 520 NZ LYS A 33 -2.538 3.342 -9.468 1.00 0.00 N ATOM 0 H LYS A 33 -7.188 4.738 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.930 6.368 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.097 4.949 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.974 6.035 -8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.081 4.643 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.301 3.490 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.959 3.063 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.968 4.384 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.939 1.843 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.874 2.195 -10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.898 3.096 -10.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.688 4.371 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.115 3.041 -8.567 1.00 0.00 H new ATOM 534 N THR A 34 -7.980 7.630 -6.825 1.00 0.00 N ATOM 535 CA THR A 34 -8.689 8.908 -6.937 1.00 0.00 C ATOM 536 C THR A 34 -8.425 9.769 -5.698 1.00 0.00 C ATOM 537 O THR A 34 -8.629 10.985 -5.716 1.00 0.00 O ATOM 538 CB THR A 34 -10.217 8.726 -7.153 1.00 0.00 C ATOM 539 OG1 THR A 34 -10.839 10.000 -7.379 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.879 8.050 -5.960 1.00 0.00 C ATOM 0 H THR A 34 -8.579 6.821 -6.660 1.00 0.00 H new ATOM 0 HA THR A 34 -8.301 9.414 -7.821 1.00 0.00 H new ATOM 0 HB THR A 34 -10.349 8.086 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.801 9.875 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.947 7.941 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.435 7.066 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.729 8.658 -5.068 1.00 0.00 H new ATOM 548 N GLU A 35 -7.959 9.123 -4.629 1.00 0.00 N ATOM 549 CA GLU A 35 -7.547 9.814 -3.408 1.00 0.00 C ATOM 550 C GLU A 35 -6.043 10.125 -3.473 1.00 0.00 C ATOM 551 O GLU A 35 -5.417 10.466 -2.469 1.00 0.00 O ATOM 552 CB GLU A 35 -7.877 8.933 -2.191 1.00 0.00 C ATOM 553 CG GLU A 35 -7.720 9.628 -0.841 1.00 0.00 C ATOM 554 CD GLU A 35 -8.591 10.870 -0.714 1.00 0.00 C ATOM 555 OE1 GLU A 35 -9.822 10.729 -0.543 1.00 0.00 O ATOM 556 OE2 GLU A 35 -8.047 11.994 -0.767 1.00 0.00 O ATOM 0 H GLU A 35 -7.857 8.109 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.086 10.756 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.903 8.577 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.232 8.054 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.974 8.928 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.676 9.906 -0.699 1.00 0.00 H new ATOM 563 N PHE A 36 -5.479 9.983 -4.683 1.00 0.00 N ATOM 564 CA PHE A 36 -4.060 10.264 -4.979 1.00 0.00 C ATOM 565 C PHE A 36 -3.103 9.655 -3.945 1.00 0.00 C ATOM 566 O PHE A 36 -1.953 10.080 -3.824 1.00 0.00 O ATOM 567 CB PHE A 36 -3.802 11.782 -5.161 1.00 0.00 C ATOM 568 CG PHE A 36 -4.156 12.655 -3.975 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.270 12.813 -2.918 1.00 0.00 C ATOM 570 CD2 PHE A 36 -5.375 13.320 -3.923 1.00 0.00 C ATOM 571 CE1 PHE A 36 -3.593 13.610 -1.837 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.701 14.117 -2.843 1.00 0.00 C ATOM 573 CZ PHE A 36 -4.809 14.262 -1.799 1.00 0.00 C ATOM 0 H PHE A 36 -6.003 9.665 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.845 9.772 -5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.747 11.927 -5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.369 12.127 -6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.316 12.307 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.076 13.212 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.894 13.723 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.653 14.626 -2.815 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.062 14.885 -0.954 1.00 0.00 H new ATOM 583 N SER A 37 -3.563 8.623 -3.243 1.00 0.00 N ATOM 584 CA SER A 37 -2.749 7.937 -2.241 1.00 0.00 C ATOM 585 C SER A 37 -2.333 6.555 -2.755 1.00 0.00 C ATOM 586 O SER A 37 -1.918 5.686 -1.983 1.00 0.00 O ATOM 587 CB SER A 37 -3.539 7.809 -0.932 1.00 0.00 C ATOM 588 OG SER A 37 -3.991 9.076 -0.481 1.00 0.00 O ATOM 0 H SER A 37 -4.502 8.240 -3.350 1.00 0.00 H new ATOM 0 HA SER A 37 -1.847 8.519 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.392 7.148 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.911 7.351 -0.168 1.00 0.00 H new ATOM 0 HG SER A 37 -4.559 9.484 -1.167 1.00 0.00 H new ATOM 594 N GLU A 38 -2.427 6.373 -4.075 1.00 0.00 N ATOM 595 CA GLU A 38 -2.102 5.097 -4.723 1.00 0.00 C ATOM 596 C GLU A 38 -0.697 4.617 -4.360 1.00 0.00 C ATOM 597 O GLU A 38 -0.381 3.433 -4.500 1.00 0.00 O ATOM 598 CB GLU A 38 -2.232 5.222 -6.246 1.00 0.00 C ATOM 599 CG GLU A 38 -1.386 6.336 -6.861 1.00 0.00 C ATOM 600 CD GLU A 38 -1.341 6.273 -8.384 1.00 0.00 C ATOM 601 OE1 GLU A 38 -2.402 6.049 -9.009 1.00 0.00 O ATOM 602 OE2 GLU A 38 -0.245 6.428 -8.962 1.00 0.00 O ATOM 0 H GLU A 38 -2.729 7.101 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.814 4.357 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.949 4.273 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.278 5.396 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.787 7.302 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.371 6.273 -6.469 1.00 0.00 H new ATOM 609 N GLU A 39 0.135 5.545 -3.900 1.00 0.00 N ATOM 610 CA GLU A 39 1.486 5.231 -3.451 1.00 0.00 C ATOM 611 C GLU A 39 1.476 4.062 -2.471 1.00 0.00 C ATOM 612 O GLU A 39 2.223 3.110 -2.641 1.00 0.00 O ATOM 613 CB GLU A 39 2.121 6.490 -2.816 1.00 0.00 C ATOM 614 CG GLU A 39 3.405 6.253 -2.008 1.00 0.00 C ATOM 615 CD GLU A 39 3.147 6.027 -0.515 1.00 0.00 C ATOM 616 OE1 GLU A 39 2.847 7.012 0.200 1.00 0.00 O ATOM 617 OE2 GLU A 39 3.246 4.872 -0.050 1.00 0.00 O ATOM 0 H GLU A 39 -0.107 6.533 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 39 2.087 4.928 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.340 7.204 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.383 6.956 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.928 5.387 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.066 7.111 -2.130 1.00 0.00 H new ATOM 624 N ASN A 40 0.589 4.122 -1.483 1.00 0.00 N ATOM 625 CA ASN A 40 0.560 3.139 -0.395 1.00 0.00 C ATOM 626 C ASN A 40 0.390 1.710 -0.921 1.00 0.00 C ATOM 627 O ASN A 40 1.263 0.845 -0.727 1.00 0.00 O ATOM 628 CB ASN A 40 -0.575 3.471 0.585 1.00 0.00 C ATOM 629 CG ASN A 40 -0.507 4.894 1.128 1.00 0.00 C ATOM 630 OD1 ASN A 40 -1.534 5.494 1.444 1.00 0.00 O ATOM 631 ND2 ASN A 40 0.691 5.446 1.241 1.00 0.00 N ATOM 0 H ASN A 40 -0.126 4.845 -1.410 1.00 0.00 H new ATOM 0 HA ASN A 40 1.519 3.192 0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.532 3.326 0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.542 2.770 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.783 6.397 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.522 4.921 0.970 1.00 0.00 H new ATOM 638 N ILE A 41 -0.736 1.476 -1.597 1.00 0.00 N ATOM 639 CA ILE A 41 -1.072 0.152 -2.116 1.00 0.00 C ATOM 640 C ILE A 41 0.046 -0.362 -3.030 1.00 0.00 C ATOM 641 O ILE A 41 0.519 -1.487 -2.873 1.00 0.00 O ATOM 642 CB ILE A 41 -2.439 0.171 -2.876 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.820 -1.231 -3.390 1.00 0.00 C ATOM 644 CG2 ILE A 41 -2.425 1.175 -4.027 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.206 -2.205 -2.297 1.00 0.00 C ATOM 0 H ILE A 41 -1.434 2.192 -1.798 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.171 -0.527 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.197 0.486 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.651 -1.137 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.979 -1.643 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.390 1.162 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.234 2.174 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.641 0.906 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.460 -3.168 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.369 -2.331 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.067 -1.818 -1.752 1.00 0.00 H new ATOM 657 N GLU A 42 0.504 0.497 -3.938 1.00 0.00 N ATOM 658 CA GLU A 42 1.512 0.117 -4.925 1.00 0.00 C ATOM 659 C GLU A 42 2.913 0.104 -4.315 1.00 0.00 C ATOM 660 O GLU A 42 3.856 -0.410 -4.924 1.00 0.00 O ATOM 661 CB GLU A 42 1.444 1.058 -6.138 1.00 0.00 C ATOM 662 CG GLU A 42 0.114 0.970 -6.877 1.00 0.00 C ATOM 663 CD GLU A 42 0.016 1.900 -8.076 1.00 0.00 C ATOM 664 OE1 GLU A 42 -0.389 3.066 -7.904 1.00 0.00 O ATOM 665 OE2 GLU A 42 0.319 1.461 -9.206 1.00 0.00 O ATOM 0 H GLU A 42 0.191 1.465 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 42 1.297 -0.898 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.603 2.084 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.254 0.816 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.038 -0.056 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.693 1.202 -6.182 1.00 0.00 H new ATOM 672 N PHE A 43 3.043 0.656 -3.108 1.00 0.00 N ATOM 673 CA PHE A 43 4.318 0.662 -2.399 1.00 0.00 C ATOM 674 C PHE A 43 4.667 -0.739 -1.930 1.00 0.00 C ATOM 675 O PHE A 43 5.636 -1.334 -2.409 1.00 0.00 O ATOM 676 CB PHE A 43 4.297 1.623 -1.200 1.00 0.00 C ATOM 677 CG PHE A 43 5.567 1.593 -0.385 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.743 2.122 -0.895 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.589 1.025 0.883 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.912 2.089 -0.159 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.755 0.988 1.621 1.00 0.00 C ATOM 682 CZ PHE A 43 7.918 1.521 1.099 1.00 0.00 C ATOM 0 H PHE A 43 2.279 1.104 -2.603 1.00 0.00 H new ATOM 0 HA PHE A 43 5.079 1.011 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.129 2.638 -1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.455 1.370 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.745 2.565 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.683 0.607 1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.820 2.507 -0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.758 0.543 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.831 1.493 1.675 1.00 0.00 H new ATOM 692 N TRP A 44 3.876 -1.286 -1.004 1.00 0.00 N ATOM 693 CA TRP A 44 4.200 -2.606 -0.466 1.00 0.00 C ATOM 694 C TRP A 44 3.909 -3.711 -1.481 1.00 0.00 C ATOM 695 O TRP A 44 4.461 -4.809 -1.386 1.00 0.00 O ATOM 696 CB TRP A 44 3.547 -2.878 0.901 1.00 0.00 C ATOM 697 CG TRP A 44 2.120 -2.439 1.065 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.689 -1.284 1.654 1.00 0.00 C ATOM 699 CD2 TRP A 44 0.942 -3.159 0.685 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.320 -1.245 1.671 1.00 0.00 N ATOM 701 CE2 TRP A 44 -0.165 -2.380 1.075 1.00 0.00 C ATOM 702 CE3 TRP A 44 0.715 -4.385 0.054 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.475 -2.789 0.854 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.587 -4.788 -0.167 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.668 -3.993 0.232 1.00 0.00 C ATOM 0 H TRP A 44 3.035 -0.853 -0.623 1.00 0.00 H new ATOM 0 HA TRP A 44 5.274 -2.610 -0.281 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.598 -3.949 1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.145 -2.386 1.668 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.334 -0.513 2.049 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.247 -0.493 2.064 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.543 -5.006 -0.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.311 -2.178 1.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.775 -5.733 -0.656 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.675 -4.337 0.045 1.00 0.00 H new ATOM 716 N ILE A 45 3.074 -3.412 -2.476 1.00 0.00 N ATOM 717 CA ILE A 45 2.936 -4.296 -3.634 1.00 0.00 C ATOM 718 C ILE A 45 4.289 -4.423 -4.343 1.00 0.00 C ATOM 719 O ILE A 45 4.707 -5.522 -4.725 1.00 0.00 O ATOM 720 CB ILE A 45 1.848 -3.782 -4.622 1.00 0.00 C ATOM 721 CG1 ILE A 45 0.446 -4.191 -4.130 1.00 0.00 C ATOM 722 CG2 ILE A 45 2.089 -4.278 -6.051 1.00 0.00 C ATOM 723 CD1 ILE A 45 -0.682 -3.746 -5.040 1.00 0.00 C ATOM 0 H ILE A 45 2.490 -2.576 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 45 2.616 -5.277 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 45 1.911 -2.694 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.410 -5.276 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.284 -3.772 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.306 -3.895 -6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.059 -3.924 -6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.073 -5.368 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.635 -4.072 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.675 -2.659 -5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.548 -4.186 -6.028 1.00 0.00 H new ATOM 735 N ALA A 46 4.982 -3.291 -4.481 1.00 0.00 N ATOM 736 CA ALA A 46 6.299 -3.258 -5.114 1.00 0.00 C ATOM 737 C ALA A 46 7.359 -3.875 -4.201 1.00 0.00 C ATOM 738 O ALA A 46 8.357 -4.421 -4.678 1.00 0.00 O ATOM 739 CB ALA A 46 6.685 -1.828 -5.472 1.00 0.00 C ATOM 0 H ALA A 46 4.650 -2.381 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 46 6.247 -3.848 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.668 -1.823 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.950 -1.415 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.713 -1.221 -4.567 1.00 0.00 H new ATOM 745 N CYS A 47 7.135 -3.785 -2.891 1.00 0.00 N ATOM 746 CA CYS A 47 8.061 -4.348 -1.909 1.00 0.00 C ATOM 747 C CYS A 47 8.096 -5.873 -2.008 1.00 0.00 C ATOM 748 O CYS A 47 9.150 -6.492 -1.854 1.00 0.00 O ATOM 749 CB CYS A 47 7.670 -3.913 -0.494 1.00 0.00 C ATOM 750 SG CYS A 47 7.708 -2.122 -0.247 1.00 0.00 S ATOM 0 H CYS A 47 6.319 -3.327 -2.484 1.00 0.00 H new ATOM 0 HA CYS A 47 9.060 -3.969 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.667 -4.280 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.345 -4.384 0.221 1.00 0.00 H new ATOM 0 HG CYS A 47 6.902 -1.550 -1.092 1.00 0.00 H new ATOM 756 N GLU A 48 6.942 -6.477 -2.274 1.00 0.00 N ATOM 757 CA GLU A 48 6.865 -7.923 -2.446 1.00 0.00 C ATOM 758 C GLU A 48 7.367 -8.333 -3.830 1.00 0.00 C ATOM 759 O GLU A 48 7.850 -9.454 -4.015 1.00 0.00 O ATOM 760 CB GLU A 48 5.439 -8.425 -2.194 1.00 0.00 C ATOM 761 CG GLU A 48 5.002 -8.281 -0.736 1.00 0.00 C ATOM 762 CD GLU A 48 5.877 -9.081 0.228 1.00 0.00 C ATOM 763 OE1 GLU A 48 6.945 -8.573 0.644 1.00 0.00 O ATOM 764 OE2 GLU A 48 5.503 -10.227 0.564 1.00 0.00 O ATOM 0 H GLU A 48 6.051 -5.990 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 48 7.516 -8.392 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.748 -7.873 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.372 -9.473 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.030 -7.228 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.967 -8.610 -0.638 1.00 0.00 H new ATOM 771 N ASP A 49 7.257 -7.425 -4.800 1.00 0.00 N ATOM 772 CA ASP A 49 7.902 -7.619 -6.102 1.00 0.00 C ATOM 773 C ASP A 49 9.412 -7.649 -5.914 1.00 0.00 C ATOM 774 O ASP A 49 10.125 -8.435 -6.541 1.00 0.00 O ATOM 775 CB ASP A 49 7.519 -6.505 -7.086 1.00 0.00 C ATOM 776 CG ASP A 49 8.359 -6.535 -8.361 1.00 0.00 C ATOM 777 OD1 ASP A 49 8.144 -7.428 -9.208 1.00 0.00 O ATOM 778 OD2 ASP A 49 9.248 -5.672 -8.518 1.00 0.00 O ATOM 0 H ASP A 49 6.732 -6.555 -4.712 1.00 0.00 H new ATOM 0 HA ASP A 49 7.560 -8.566 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.465 -6.602 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.639 -5.537 -6.599 1.00 0.00 H new ATOM 783 N PHE A 50 9.876 -6.780 -5.030 1.00 0.00 N ATOM 784 CA PHE A 50 11.273 -6.723 -4.631 1.00 0.00 C ATOM 785 C PHE A 50 11.684 -8.046 -3.981 1.00 0.00 C ATOM 786 O PHE A 50 12.730 -8.608 -4.299 1.00 0.00 O ATOM 787 CB PHE A 50 11.458 -5.547 -3.657 1.00 0.00 C ATOM 788 CG PHE A 50 12.847 -5.387 -3.097 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.838 -4.763 -3.834 1.00 0.00 C ATOM 790 CD2 PHE A 50 13.156 -5.847 -1.824 1.00 0.00 C ATOM 791 CE1 PHE A 50 15.105 -4.602 -3.318 1.00 0.00 C ATOM 792 CE2 PHE A 50 14.423 -5.686 -1.303 1.00 0.00 C ATOM 793 CZ PHE A 50 15.399 -5.063 -2.050 1.00 0.00 C ATOM 0 H PHE A 50 9.288 -6.088 -4.565 1.00 0.00 H new ATOM 0 HA PHE A 50 11.909 -6.568 -5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.182 -4.625 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.762 -5.671 -2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.615 -4.398 -4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.395 -6.337 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.869 -4.115 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.650 -6.048 -0.311 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.392 -4.936 -1.645 1.00 0.00 H new ATOM 803 N LYS A 51 10.819 -8.548 -3.100 1.00 0.00 N ATOM 804 CA LYS A 51 11.083 -9.780 -2.357 1.00 0.00 C ATOM 805 C LYS A 51 11.313 -10.972 -3.293 1.00 0.00 C ATOM 806 O LYS A 51 12.168 -11.820 -3.033 1.00 0.00 O ATOM 807 CB LYS A 51 9.913 -10.092 -1.409 1.00 0.00 C ATOM 808 CG LYS A 51 10.188 -11.251 -0.451 1.00 0.00 C ATOM 809 CD LYS A 51 8.950 -11.654 0.349 1.00 0.00 C ATOM 810 CE LYS A 51 7.869 -12.263 -0.539 1.00 0.00 C ATOM 811 NZ LYS A 51 8.325 -13.518 -1.200 1.00 0.00 N ATOM 0 H LYS A 51 9.921 -8.116 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 51 11.993 -9.621 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.681 -9.200 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.029 -10.325 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.546 -12.110 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.985 -10.969 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.234 -12.372 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.549 -10.779 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.983 -12.471 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.576 -11.539 -1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.505 -14.020 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.990 -13.286 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.799 -14.126 -0.502 1.00 0.00 H new ATOM 825 N LYS A 52 10.542 -11.041 -4.379 1.00 0.00 N ATOM 826 CA LYS A 52 10.628 -12.178 -5.300 1.00 0.00 C ATOM 827 C LYS A 52 11.761 -11.999 -6.314 1.00 0.00 C ATOM 828 O LYS A 52 11.978 -12.853 -7.173 1.00 0.00 O ATOM 829 CB LYS A 52 9.281 -12.419 -6.009 1.00 0.00 C ATOM 830 CG LYS A 52 8.770 -11.246 -6.843 1.00 0.00 C ATOM 831 CD LYS A 52 7.376 -11.529 -7.409 1.00 0.00 C ATOM 832 CE LYS A 52 6.813 -10.342 -8.188 1.00 0.00 C ATOM 833 NZ LYS A 52 7.597 -10.048 -9.416 1.00 0.00 N ATOM 0 H LYS A 52 9.858 -10.332 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 52 10.859 -13.062 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.380 -13.290 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.531 -12.664 -5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.739 -10.347 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.463 -11.049 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.422 -12.400 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.699 -11.778 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.778 -10.548 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.804 -9.461 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.113 -9.153 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.275 -10.818 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.953 -9.967 -10.228 1.00 0.00 H new ATOM 847 N SER A 53 12.496 -10.896 -6.195 1.00 0.00 N ATOM 848 CA SER A 53 13.670 -10.648 -7.030 1.00 0.00 C ATOM 849 C SER A 53 14.928 -10.916 -6.208 1.00 0.00 C ATOM 850 O SER A 53 15.835 -10.091 -6.126 1.00 0.00 O ATOM 851 CB SER A 53 13.647 -9.208 -7.541 1.00 0.00 C ATOM 852 OG SER A 53 12.392 -8.896 -8.130 1.00 0.00 O ATOM 0 H SER A 53 12.298 -10.154 -5.523 1.00 0.00 H new ATOM 0 HA SER A 53 13.663 -11.313 -7.894 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.846 -8.523 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.442 -9.066 -8.273 1.00 0.00 H new ATOM 0 HG SER A 53 11.722 -8.771 -7.426 1.00 0.00 H new ATOM 858 N LYS A 54 14.970 -12.118 -5.650 1.00 0.00 N ATOM 859 CA LYS A 54 15.935 -12.505 -4.615 1.00 0.00 C ATOM 860 C LYS A 54 17.397 -12.467 -5.085 1.00 0.00 C ATOM 861 O LYS A 54 18.304 -12.712 -4.285 1.00 0.00 O ATOM 862 CB LYS A 54 15.592 -13.912 -4.095 1.00 0.00 C ATOM 863 CG LYS A 54 16.011 -15.060 -5.019 1.00 0.00 C ATOM 864 CD LYS A 54 15.371 -14.992 -6.405 1.00 0.00 C ATOM 865 CE LYS A 54 15.870 -16.123 -7.301 1.00 0.00 C ATOM 866 NZ LYS A 54 15.271 -16.072 -8.660 1.00 0.00 N ATOM 0 H LYS A 54 14.327 -12.868 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 54 15.851 -11.765 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.070 -14.052 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.516 -13.971 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 54 17.096 -15.051 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.745 -16.008 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.287 -15.051 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.599 -14.031 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.956 -16.067 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.634 -17.081 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.640 -16.859 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.237 -16.152 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.517 -15.169 -9.114 1.00 0.00 H new ATOM 880 N GLY A 55 17.628 -12.193 -6.367 1.00 0.00 N ATOM 881 CA GLY A 55 18.991 -12.089 -6.867 1.00 0.00 C ATOM 882 C GLY A 55 19.749 -10.969 -6.172 1.00 0.00 C ATOM 883 O GLY A 55 19.373 -9.812 -6.310 1.00 0.00 O ATOM 0 H GLY A 55 16.901 -12.042 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.511 -13.034 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.974 -11.908 -7.942 1.00 0.00 H new ATOM 887 N PRO A 56 20.826 -11.282 -5.414 1.00 0.00 N ATOM 888 CA PRO A 56 21.554 -10.299 -4.594 1.00 0.00 C ATOM 889 C PRO A 56 21.821 -8.980 -5.330 1.00 0.00 C ATOM 890 O PRO A 56 21.566 -7.896 -4.796 1.00 0.00 O ATOM 891 CB PRO A 56 22.876 -11.017 -4.239 1.00 0.00 C ATOM 892 CG PRO A 56 22.867 -12.302 -5.009 1.00 0.00 C ATOM 893 CD PRO A 56 21.423 -12.618 -5.288 1.00 0.00 C ATOM 0 HA PRO A 56 20.974 -10.004 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 56 23.737 -10.406 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 56 22.943 -11.205 -3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.429 -12.203 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.336 -13.102 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.304 -13.204 -6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.969 -13.191 -4.480 1.00 0.00 H new ATOM 901 N GLN A 57 22.315 -9.080 -6.561 1.00 0.00 N ATOM 902 CA GLN A 57 22.586 -7.897 -7.377 1.00 0.00 C ATOM 903 C GLN A 57 21.281 -7.153 -7.662 1.00 0.00 C ATOM 904 O GLN A 57 21.170 -5.948 -7.420 1.00 0.00 O ATOM 905 CB GLN A 57 23.266 -8.305 -8.694 1.00 0.00 C ATOM 906 CG GLN A 57 24.591 -9.037 -8.502 1.00 0.00 C ATOM 907 CD GLN A 57 25.181 -9.537 -9.811 1.00 0.00 C ATOM 908 OE1 GLN A 57 24.899 -10.657 -10.247 1.00 0.00 O ATOM 909 NE2 GLN A 57 26.010 -8.722 -10.441 1.00 0.00 N ATOM 0 H GLN A 57 22.536 -9.966 -7.016 1.00 0.00 H new ATOM 0 HA GLN A 57 23.258 -7.235 -6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 57 22.588 -8.944 -9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 57 23.439 -7.412 -9.295 1.00 0.00 H new ATOM 0 HG2 GLN A 57 25.304 -8.369 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 57 24.440 -9.882 -7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 57 26.218 -7.804 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 57 26.441 -9.012 -11.319 1.00 0.00 H new ATOM 918 N GLN A 58 20.289 -7.905 -8.140 1.00 0.00 N ATOM 919 CA GLN A 58 18.971 -7.364 -8.472 1.00 0.00 C ATOM 920 C GLN A 58 18.360 -6.652 -7.261 1.00 0.00 C ATOM 921 O GLN A 58 17.723 -5.605 -7.398 1.00 0.00 O ATOM 922 CB GLN A 58 18.057 -8.509 -8.952 1.00 0.00 C ATOM 923 CG GLN A 58 16.669 -8.072 -9.420 1.00 0.00 C ATOM 924 CD GLN A 58 16.700 -7.089 -10.586 1.00 0.00 C ATOM 925 OE1 GLN A 58 15.814 -6.246 -10.725 1.00 0.00 O ATOM 926 NE2 GLN A 58 17.707 -7.195 -11.442 1.00 0.00 N ATOM 0 H GLN A 58 20.377 -8.907 -8.308 1.00 0.00 H new ATOM 0 HA GLN A 58 19.074 -6.630 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.553 -9.031 -9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.941 -9.227 -8.140 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.099 -8.954 -9.714 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.140 -7.615 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.426 -7.904 -11.299 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.763 -6.567 -12.244 1.00 0.00 H new ATOM 935 N ILE A 59 18.589 -7.220 -6.079 1.00 0.00 N ATOM 936 CA ILE A 59 18.114 -6.647 -4.823 1.00 0.00 C ATOM 937 C ILE A 59 18.651 -5.227 -4.639 1.00 0.00 C ATOM 938 O ILE A 59 17.885 -4.287 -4.431 1.00 0.00 O ATOM 939 CB ILE A 59 18.535 -7.535 -3.615 1.00 0.00 C ATOM 940 CG1 ILE A 59 17.742 -8.855 -3.606 1.00 0.00 C ATOM 941 CG2 ILE A 59 18.361 -6.795 -2.289 1.00 0.00 C ATOM 942 CD1 ILE A 59 16.253 -8.678 -3.382 1.00 0.00 C ATOM 0 H ILE A 59 19.109 -8.090 -5.966 1.00 0.00 H new ATOM 0 HA ILE A 59 17.025 -6.608 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 59 19.594 -7.767 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.898 -9.367 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 59 18.142 -9.502 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.664 -7.444 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.979 -5.897 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 59 17.315 -6.515 -2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.766 -9.653 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 59 16.085 -8.195 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 59 15.837 -8.058 -4.176 1.00 0.00 H new ATOM 954 N HIS A 60 19.968 -5.070 -4.746 1.00 0.00 N ATOM 955 CA HIS A 60 20.603 -3.764 -4.548 1.00 0.00 C ATOM 956 C HIS A 60 20.132 -2.769 -5.607 1.00 0.00 C ATOM 957 O HIS A 60 19.944 -1.585 -5.320 1.00 0.00 O ATOM 958 CB HIS A 60 22.135 -3.888 -4.571 1.00 0.00 C ATOM 959 CG HIS A 60 22.694 -4.592 -3.369 1.00 0.00 C ATOM 960 ND1 HIS A 60 22.350 -5.771 -2.802 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 23.725 -4.088 -2.599 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 23.163 -5.952 -1.713 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 23.983 -4.927 -1.613 1.00 0.00 N flip ATOM 0 H HIS A 60 20.616 -5.826 -4.968 1.00 0.00 H new ATOM 0 HA HIS A 60 20.306 -3.392 -3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.435 -4.426 -5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.572 -2.891 -4.635 1.00 0.00 H new ATOM 0 HD1 HIS A 60 21.621 -6.407 -3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 60 24.239 -3.155 -2.776 1.00 0.00 H new ATOM 0 HE1 HIS A 60 23.135 -6.800 -1.044 1.00 0.00 H new ATOM 972 N LEU A 61 19.925 -3.265 -6.824 1.00 0.00 N ATOM 973 CA LEU A 61 19.479 -2.431 -7.939 1.00 0.00 C ATOM 974 C LEU A 61 18.074 -1.880 -7.682 1.00 0.00 C ATOM 975 O LEU A 61 17.837 -0.673 -7.799 1.00 0.00 O ATOM 976 CB LEU A 61 19.501 -3.239 -9.244 1.00 0.00 C ATOM 977 CG LEU A 61 20.880 -3.790 -9.648 1.00 0.00 C ATOM 978 CD1 LEU A 61 20.770 -4.670 -10.891 1.00 0.00 C ATOM 979 CD2 LEU A 61 21.874 -2.651 -9.879 1.00 0.00 C ATOM 0 H LEU A 61 20.060 -4.247 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 61 20.164 -1.588 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.807 -4.074 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.129 -2.607 -10.051 1.00 0.00 H new ATOM 0 HG LEU A 61 21.251 -4.405 -8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.757 -5.048 -11.158 1.00 0.00 H new ATOM 0 HD12 LEU A 61 20.104 -5.508 -10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.371 -4.083 -11.718 1.00 0.00 H new ATOM 0 HD21 LEU A 61 22.842 -3.065 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 61 21.507 -2.004 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.983 -2.071 -8.962 1.00 0.00 H new ATOM 991 N LYS A 62 17.151 -2.768 -7.324 1.00 0.00 N ATOM 992 CA LYS A 62 15.762 -2.380 -7.086 1.00 0.00 C ATOM 993 C LYS A 62 15.641 -1.546 -5.815 1.00 0.00 C ATOM 994 O LYS A 62 14.844 -0.612 -5.753 1.00 0.00 O ATOM 995 CB LYS A 62 14.866 -3.620 -6.991 1.00 0.00 C ATOM 996 CG LYS A 62 14.830 -4.452 -8.268 1.00 0.00 C ATOM 997 CD LYS A 62 13.994 -5.720 -8.101 1.00 0.00 C ATOM 998 CE LYS A 62 12.519 -5.415 -7.862 1.00 0.00 C ATOM 999 NZ LYS A 62 11.891 -4.719 -9.018 1.00 0.00 N ATOM 0 H LYS A 62 17.339 -3.762 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 62 15.432 -1.773 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.214 -4.247 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.852 -3.306 -6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.420 -3.852 -9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.847 -4.723 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.095 -6.339 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.383 -6.301 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.985 -6.345 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.418 -4.797 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.876 -4.942 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.017 -3.692 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.341 -5.036 -9.900 1.00 0.00 H new ATOM 1013 N ALA A 63 16.440 -1.887 -4.808 1.00 0.00 N ATOM 1014 CA ALA A 63 16.431 -1.164 -3.539 1.00 0.00 C ATOM 1015 C ALA A 63 16.808 0.299 -3.750 1.00 0.00 C ATOM 1016 O ALA A 63 16.125 1.203 -3.268 1.00 0.00 O ATOM 1017 CB ALA A 63 17.385 -1.819 -2.546 1.00 0.00 C ATOM 0 H ALA A 63 17.103 -2.661 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 63 15.421 -1.204 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.366 -1.268 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.075 -2.849 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.396 -1.809 -2.952 1.00 0.00 H new ATOM 1023 N LYS A 64 17.892 0.519 -4.490 1.00 0.00 N ATOM 1024 CA LYS A 64 18.380 1.869 -4.762 1.00 0.00 C ATOM 1025 C LYS A 64 17.399 2.612 -5.672 1.00 0.00 C ATOM 1026 O LYS A 64 17.267 3.838 -5.599 1.00 0.00 O ATOM 1027 CB LYS A 64 19.781 1.798 -5.393 1.00 0.00 C ATOM 1028 CG LYS A 64 20.505 3.141 -5.494 1.00 0.00 C ATOM 1029 CD LYS A 64 20.530 3.883 -4.153 1.00 0.00 C ATOM 1030 CE LYS A 64 21.616 4.956 -4.108 1.00 0.00 C ATOM 1031 NZ LYS A 64 21.647 5.789 -5.342 1.00 0.00 N ATOM 0 H LYS A 64 18.451 -0.222 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 64 18.453 2.423 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.394 1.113 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.693 1.372 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.527 2.977 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.014 3.762 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.558 4.344 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.694 3.168 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.451 5.599 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.587 4.480 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.918 6.763 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.340 5.395 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.705 5.792 -5.783 1.00 0.00 H new ATOM 1045 N ALA A 65 16.702 1.857 -6.516 1.00 0.00 N ATOM 1046 CA ALA A 65 15.668 2.418 -7.378 1.00 0.00 C ATOM 1047 C ALA A 65 14.507 2.937 -6.534 1.00 0.00 C ATOM 1048 O ALA A 65 14.218 4.133 -6.532 1.00 0.00 O ATOM 1049 CB ALA A 65 15.182 1.375 -8.382 1.00 0.00 C ATOM 0 H ALA A 65 16.836 0.851 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 65 16.092 3.253 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.411 1.812 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.018 1.048 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.770 0.519 -7.847 1.00 0.00 H new ATOM 1055 N ILE A 66 13.874 2.027 -5.791 1.00 0.00 N ATOM 1056 CA ILE A 66 12.747 2.366 -4.923 1.00 0.00 C ATOM 1057 C ILE A 66 13.135 3.478 -3.948 1.00 0.00 C ATOM 1058 O ILE A 66 12.310 4.318 -3.585 1.00 0.00 O ATOM 1059 CB ILE A 66 12.252 1.125 -4.126 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.798 0.014 -5.091 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.119 1.504 -3.168 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.351 -1.260 -4.399 1.00 0.00 C ATOM 0 H ILE A 66 14.127 1.039 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 66 11.935 2.713 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 66 13.084 0.749 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.978 0.390 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.618 -0.222 -5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.791 0.618 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.475 2.253 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.282 1.910 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.047 -1.993 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.175 -1.663 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.509 -1.041 -3.742 1.00 0.00 H new ATOM 1074 N TYR A 67 14.402 3.480 -3.542 1.00 0.00 N ATOM 1075 CA TYR A 67 14.930 4.506 -2.650 1.00 0.00 C ATOM 1076 C TYR A 67 14.678 5.902 -3.228 1.00 0.00 C ATOM 1077 O TYR A 67 13.879 6.668 -2.691 1.00 0.00 O ATOM 1078 CB TYR A 67 16.435 4.278 -2.423 1.00 0.00 C ATOM 1079 CG TYR A 67 17.081 5.240 -1.440 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.008 5.020 -0.068 1.00 0.00 C ATOM 1081 CD2 TYR A 67 17.775 6.363 -1.883 1.00 0.00 C ATOM 1082 CE1 TYR A 67 17.604 5.889 0.827 1.00 0.00 C ATOM 1083 CE2 TYR A 67 18.372 7.236 -0.994 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.285 6.994 0.360 1.00 0.00 C ATOM 1085 OH TYR A 67 18.879 7.861 1.250 1.00 0.00 O ATOM 0 H TYR A 67 15.086 2.776 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 67 14.416 4.438 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.585 3.259 -2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 67 16.949 4.358 -3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.477 4.156 0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 67 17.848 6.556 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.537 5.703 1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.904 8.103 -1.358 1.00 0.00 H new ATOM 0 HH TYR A 67 19.318 8.586 0.757 1.00 0.00 H new ATOM 1095 N GLU A 68 15.325 6.197 -4.353 1.00 0.00 N ATOM 1096 CA GLU A 68 15.268 7.530 -4.962 1.00 0.00 C ATOM 1097 C GLU A 68 13.945 7.766 -5.699 1.00 0.00 C ATOM 1098 O GLU A 68 13.629 8.897 -6.080 1.00 0.00 O ATOM 1099 CB GLU A 68 16.447 7.703 -5.928 1.00 0.00 C ATOM 1100 CG GLU A 68 17.806 7.539 -5.256 1.00 0.00 C ATOM 1101 CD GLU A 68 18.963 7.554 -6.239 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.482 8.644 -6.545 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.370 6.467 -6.701 1.00 0.00 O ATOM 0 H GLU A 68 15.899 5.528 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 68 15.332 8.268 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.358 6.974 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.392 8.691 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.944 8.340 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.820 6.600 -4.702 1.00 0.00 H new ATOM 1110 N LYS A 69 13.181 6.698 -5.902 1.00 0.00 N ATOM 1111 CA LYS A 69 11.916 6.780 -6.632 1.00 0.00 C ATOM 1112 C LYS A 69 10.739 7.002 -5.679 1.00 0.00 C ATOM 1113 O LYS A 69 9.765 7.673 -6.032 1.00 0.00 O ATOM 1114 CB LYS A 69 11.696 5.491 -7.441 1.00 0.00 C ATOM 1115 CG LYS A 69 10.480 5.519 -8.368 1.00 0.00 C ATOM 1116 CD LYS A 69 10.670 6.490 -9.531 1.00 0.00 C ATOM 1117 CE LYS A 69 9.518 6.416 -10.531 1.00 0.00 C ATOM 1118 NZ LYS A 69 9.786 7.224 -11.752 1.00 0.00 N ATOM 0 H LYS A 69 13.415 5.762 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 69 11.970 7.632 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.587 5.296 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.588 4.657 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.298 4.517 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.596 5.805 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.751 7.506 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.607 6.267 -10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.350 5.377 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.603 6.769 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.979 7.146 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.921 8.220 -11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.645 6.871 -12.220 1.00 0.00 H new ATOM 1132 N PHE A 70 10.840 6.443 -4.472 1.00 0.00 N ATOM 1133 CA PHE A 70 9.724 6.448 -3.519 1.00 0.00 C ATOM 1134 C PHE A 70 10.167 6.860 -2.110 1.00 0.00 C ATOM 1135 O PHE A 70 9.547 7.722 -1.486 1.00 0.00 O ATOM 1136 CB PHE A 70 9.072 5.055 -3.456 1.00 0.00 C ATOM 1137 CG PHE A 70 8.435 4.602 -4.749 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.256 5.183 -5.197 1.00 0.00 C ATOM 1139 CD2 PHE A 70 9.004 3.588 -5.507 1.00 0.00 C ATOM 1140 CE1 PHE A 70 6.662 4.765 -6.373 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.414 3.168 -6.684 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.242 3.756 -7.117 1.00 0.00 C ATOM 0 H PHE A 70 11.682 5.981 -4.129 1.00 0.00 H new ATOM 0 HA PHE A 70 9.004 7.184 -3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.828 4.327 -3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.313 5.058 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.797 5.972 -4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.919 3.122 -5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.746 5.227 -6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.870 2.380 -7.265 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.780 3.427 -8.036 1.00 0.00 H new ATOM 1152 N ILE A 71 11.238 6.237 -1.613 1.00 0.00 N ATOM 1153 CA ILE A 71 11.650 6.407 -0.214 1.00 0.00 C ATOM 1154 C ILE A 71 12.140 7.830 0.045 1.00 0.00 C ATOM 1155 O ILE A 71 12.042 8.345 1.164 1.00 0.00 O ATOM 1156 CB ILE A 71 12.759 5.392 0.176 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.263 3.950 -0.035 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.214 5.597 1.624 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.060 3.580 0.812 1.00 0.00 C ATOM 0 H ILE A 71 11.835 5.612 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 71 10.773 6.218 0.405 1.00 0.00 H new ATOM 0 HB ILE A 71 13.618 5.566 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.009 3.814 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.077 3.261 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.991 4.872 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.610 6.606 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.366 5.459 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.772 2.549 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.313 3.681 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.229 4.243 0.573 1.00 0.00 H new ATOM 1171 N GLN A 72 12.665 8.458 -1.000 1.00 0.00 N ATOM 1172 CA GLN A 72 13.149 9.828 -0.915 1.00 0.00 C ATOM 1173 C GLN A 72 11.972 10.770 -0.640 1.00 0.00 C ATOM 1174 O GLN A 72 10.983 10.756 -1.371 1.00 0.00 O ATOM 1175 CB GLN A 72 13.855 10.224 -2.228 1.00 0.00 C ATOM 1176 CG GLN A 72 15.208 10.899 -2.037 1.00 0.00 C ATOM 1177 CD GLN A 72 15.154 12.068 -1.071 1.00 0.00 C ATOM 1178 OE1 GLN A 72 14.885 13.256 -1.591 1.00 0.00 O flip ATOM 1179 NE2 GLN A 72 15.344 11.901 0.135 1.00 0.00 N flip ATOM 0 H GLN A 72 12.766 8.035 -1.923 1.00 0.00 H new ATOM 0 HA GLN A 72 13.867 9.906 -0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.991 9.330 -2.837 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.204 10.895 -2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.926 10.165 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.573 11.249 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.549 10.969 0.495 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.297 12.695 0.774 1.00 0.00 H new ATOM 1188 N THR A 73 12.080 11.578 0.414 1.00 0.00 N ATOM 1189 CA THR A 73 11.019 12.520 0.766 1.00 0.00 C ATOM 1190 C THR A 73 10.746 13.478 -0.399 1.00 0.00 C ATOM 1191 O THR A 73 9.624 13.957 -0.585 1.00 0.00 O ATOM 1192 CB THR A 73 11.384 13.315 2.041 1.00 0.00 C ATOM 1193 OG1 THR A 73 11.774 12.401 3.079 1.00 0.00 O ATOM 1194 CG2 THR A 73 10.208 14.160 2.525 1.00 0.00 C ATOM 0 H THR A 73 12.888 11.599 1.036 1.00 0.00 H new ATOM 0 HA THR A 73 10.114 11.948 0.970 1.00 0.00 H new ATOM 0 HB THR A 73 12.209 13.985 1.800 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.007 12.904 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.498 14.706 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.923 14.867 1.746 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.363 13.511 2.752 1.00 0.00 H new ATOM 1202 N ASP A 74 11.787 13.749 -1.183 1.00 0.00 N ATOM 1203 CA ASP A 74 11.641 14.479 -2.440 1.00 0.00 C ATOM 1204 C ASP A 74 11.872 13.521 -3.604 1.00 0.00 C ATOM 1205 O ASP A 74 13.014 13.271 -4.006 1.00 0.00 O ATOM 1206 CB ASP A 74 12.613 15.668 -2.518 1.00 0.00 C ATOM 1207 CG ASP A 74 12.308 16.745 -1.485 1.00 0.00 C ATOM 1208 OD1 ASP A 74 11.253 17.401 -1.596 1.00 0.00 O ATOM 1209 OD2 ASP A 74 13.119 16.937 -0.552 1.00 0.00 O ATOM 0 H ASP A 74 12.745 13.472 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 74 10.631 14.885 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.632 15.309 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.568 16.104 -3.516 1.00 0.00 H new ATOM 1214 N ALA A 75 10.778 12.964 -4.110 1.00 0.00 N ATOM 1215 CA ALA A 75 10.815 11.964 -5.172 1.00 0.00 C ATOM 1216 C ALA A 75 9.520 12.022 -5.985 1.00 0.00 C ATOM 1217 O ALA A 75 8.547 12.633 -5.538 1.00 0.00 O ATOM 1218 CB ALA A 75 11.004 10.574 -4.565 1.00 0.00 C ATOM 0 H ALA A 75 9.836 13.194 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 75 11.653 12.173 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.031 9.830 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.941 10.544 -4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.175 10.355 -3.892 1.00 0.00 H new ATOM 1224 N PRO A 76 9.485 11.400 -7.190 1.00 0.00 N ATOM 1225 CA PRO A 76 8.279 11.371 -8.034 1.00 0.00 C ATOM 1226 C PRO A 76 7.023 11.002 -7.240 1.00 0.00 C ATOM 1227 O PRO A 76 5.973 11.639 -7.379 1.00 0.00 O ATOM 1228 CB PRO A 76 8.610 10.295 -9.074 1.00 0.00 C ATOM 1229 CG PRO A 76 10.095 10.357 -9.206 1.00 0.00 C ATOM 1230 CD PRO A 76 10.616 10.689 -7.831 1.00 0.00 C ATOM 0 HA PRO A 76 8.053 12.344 -8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.280 9.309 -8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.117 10.496 -10.025 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.496 9.406 -9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.392 11.115 -9.930 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.889 9.790 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.507 11.315 -7.881 1.00 0.00 H new ATOM 1238 N LYS A 77 7.141 9.973 -6.404 1.00 0.00 N ATOM 1239 CA LYS A 77 6.073 9.586 -5.488 1.00 0.00 C ATOM 1240 C LYS A 77 6.642 9.420 -4.084 1.00 0.00 C ATOM 1241 O LYS A 77 7.113 8.344 -3.713 1.00 0.00 O ATOM 1242 CB LYS A 77 5.382 8.293 -5.949 1.00 0.00 C ATOM 1243 CG LYS A 77 4.647 8.427 -7.282 1.00 0.00 C ATOM 1244 CD LYS A 77 3.886 7.153 -7.643 1.00 0.00 C ATOM 1245 CE LYS A 77 3.161 7.284 -8.978 1.00 0.00 C ATOM 1246 NZ LYS A 77 2.405 6.051 -9.321 1.00 0.00 N ATOM 0 H LYS A 77 7.974 9.388 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 77 5.319 10.373 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.129 7.504 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.672 7.979 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.950 9.264 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.364 8.658 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.581 6.315 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.164 6.926 -6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.476 8.131 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.885 7.497 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.701 5.712 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.598 5.317 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.386 6.261 -9.334 1.00 0.00 H new ATOM 1260 N GLU A 78 6.634 10.511 -3.328 1.00 0.00 N ATOM 1261 CA GLU A 78 7.161 10.515 -1.971 1.00 0.00 C ATOM 1262 C GLU A 78 6.273 9.677 -1.051 1.00 0.00 C ATOM 1263 O GLU A 78 5.092 9.979 -0.859 1.00 0.00 O ATOM 1264 CB GLU A 78 7.295 11.956 -1.431 1.00 0.00 C ATOM 1265 CG GLU A 78 5.989 12.762 -1.375 1.00 0.00 C ATOM 1266 CD GLU A 78 5.550 13.308 -2.728 1.00 0.00 C ATOM 1267 OE1 GLU A 78 5.960 14.435 -3.079 1.00 0.00 O ATOM 1268 OE2 GLU A 78 4.792 12.623 -3.448 1.00 0.00 O ATOM 0 H GLU A 78 6.265 11.411 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 78 8.156 10.071 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.718 11.912 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.008 12.495 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.198 12.128 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.114 13.593 -0.681 1.00 0.00 H new ATOM 1275 N VAL A 79 6.842 8.610 -0.502 1.00 0.00 N ATOM 1276 CA VAL A 79 6.114 7.741 0.412 1.00 0.00 C ATOM 1277 C VAL A 79 5.840 8.458 1.732 1.00 0.00 C ATOM 1278 O VAL A 79 6.705 9.157 2.267 1.00 0.00 O ATOM 1279 CB VAL A 79 6.887 6.424 0.684 1.00 0.00 C ATOM 1280 CG1 VAL A 79 6.136 5.537 1.675 1.00 0.00 C ATOM 1281 CG2 VAL A 79 7.137 5.674 -0.620 1.00 0.00 C ATOM 0 H VAL A 79 7.806 8.327 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 79 5.167 7.490 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 79 7.848 6.684 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.702 4.621 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.013 6.069 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.156 5.287 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.680 4.752 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.183 5.434 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.726 6.298 -1.292 1.00 0.00 H new ATOM 1291 N ASN A 80 4.636 8.269 2.259 1.00 0.00 N ATOM 1292 CA ASN A 80 4.220 8.886 3.523 1.00 0.00 C ATOM 1293 C ASN A 80 4.781 8.117 4.725 1.00 0.00 C ATOM 1294 O ASN A 80 4.187 8.107 5.805 1.00 0.00 O ATOM 1295 CB ASN A 80 2.683 8.945 3.597 1.00 0.00 C ATOM 1296 CG ASN A 80 2.086 9.903 2.579 1.00 0.00 C ATOM 1297 OD1 ASN A 80 1.894 11.087 2.864 1.00 0.00 O ATOM 1298 ND2 ASN A 80 1.803 9.407 1.384 1.00 0.00 N ATOM 0 H ASN A 80 3.919 7.686 1.827 1.00 0.00 H new ATOM 0 HA ASN A 80 4.620 9.899 3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.276 7.947 3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.382 9.251 4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.412 10.011 0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.976 8.421 1.187 1.00 0.00 H new ATOM 1305 N LEU A 81 5.950 7.514 4.538 1.00 0.00 N ATOM 1306 CA LEU A 81 6.576 6.671 5.549 1.00 0.00 C ATOM 1307 C LEU A 81 7.185 7.502 6.681 1.00 0.00 C ATOM 1308 O LEU A 81 7.683 8.608 6.459 1.00 0.00 O ATOM 1309 CB LEU A 81 7.646 5.792 4.884 1.00 0.00 C ATOM 1310 CG LEU A 81 8.558 5.007 5.832 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.764 3.936 6.566 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.730 4.396 5.068 1.00 0.00 C ATOM 0 H LEU A 81 6.492 7.597 3.678 1.00 0.00 H new ATOM 0 HA LEU A 81 5.809 6.038 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.146 5.083 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.270 6.427 4.256 1.00 0.00 H new ATOM 0 HG LEU A 81 8.964 5.695 6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.426 3.387 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.969 4.405 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.327 3.247 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.366 3.843 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.352 3.719 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.310 5.189 4.597 1.00 0.00 H new ATOM 1324 N ASP A 82 7.132 6.942 7.890 1.00 0.00 N ATOM 1325 CA ASP A 82 7.688 7.567 9.092 1.00 0.00 C ATOM 1326 C ASP A 82 9.155 7.970 8.905 1.00 0.00 C ATOM 1327 O ASP A 82 9.925 7.281 8.226 1.00 0.00 O ATOM 1328 CB ASP A 82 7.547 6.607 10.284 1.00 0.00 C ATOM 1329 CG ASP A 82 8.454 6.973 11.449 1.00 0.00 C ATOM 1330 OD1 ASP A 82 8.302 8.077 12.006 1.00 0.00 O ATOM 1331 OD2 ASP A 82 9.341 6.162 11.793 1.00 0.00 O ATOM 0 H ASP A 82 6.699 6.035 8.065 1.00 0.00 H new ATOM 0 HA ASP A 82 7.125 8.480 9.286 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.511 6.606 10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.776 5.593 9.956 1.00 0.00 H new ATOM 1336 N PHE A 83 9.531 9.079 9.543 1.00 0.00 N ATOM 1337 CA PHE A 83 10.869 9.650 9.413 1.00 0.00 C ATOM 1338 C PHE A 83 11.930 8.731 10.025 1.00 0.00 C ATOM 1339 O PHE A 83 13.018 8.571 9.470 1.00 0.00 O ATOM 1340 CB PHE A 83 10.924 11.049 10.058 1.00 0.00 C ATOM 1341 CG PHE A 83 10.449 11.099 11.493 1.00 0.00 C ATOM 1342 CD1 PHE A 83 11.334 10.896 12.545 1.00 0.00 C ATOM 1343 CD2 PHE A 83 9.116 11.357 11.790 1.00 0.00 C ATOM 1344 CE1 PHE A 83 10.900 10.950 13.856 1.00 0.00 C ATOM 1345 CE2 PHE A 83 8.679 11.412 13.100 1.00 0.00 C ATOM 1346 CZ PHE A 83 9.572 11.207 14.135 1.00 0.00 C ATOM 0 H PHE A 83 8.916 9.605 10.164 1.00 0.00 H new ATOM 0 HA PHE A 83 11.089 9.748 8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.950 11.414 10.016 1.00 0.00 H new ATOM 0 HB3 PHE A 83 10.317 11.733 9.464 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.374 10.694 12.335 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.412 11.517 10.986 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.600 10.791 14.663 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.640 11.615 13.315 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.232 11.248 15.159 1.00 0.00 H new ATOM 1356 N HIS A 84 11.603 8.111 11.155 1.00 0.00 N ATOM 1357 CA HIS A 84 12.542 7.214 11.828 1.00 0.00 C ATOM 1358 C HIS A 84 12.743 5.944 11.008 1.00 0.00 C ATOM 1359 O HIS A 84 13.840 5.386 10.967 1.00 0.00 O ATOM 1360 CB HIS A 84 12.051 6.862 13.241 1.00 0.00 C ATOM 1361 CG HIS A 84 12.886 5.818 13.926 1.00 0.00 C ATOM 1362 ND1 HIS A 84 14.093 6.090 14.531 1.00 0.00 N ATOM 1363 CD2 HIS A 84 12.683 4.487 14.089 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.594 4.978 15.034 1.00 0.00 C ATOM 1365 NE2 HIS A 84 13.758 3.991 14.780 1.00 0.00 N ATOM 0 H HIS A 84 10.702 8.211 11.623 1.00 0.00 H new ATOM 0 HA HIS A 84 13.498 7.731 11.918 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.044 7.766 13.850 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.021 6.510 13.181 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.832 3.922 13.739 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.531 4.891 15.564 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.890 3.017 15.053 1.00 0.00 H new ATOM 1374 N THR A 85 11.680 5.495 10.349 1.00 0.00 N ATOM 1375 CA THR A 85 11.745 4.287 9.540 1.00 0.00 C ATOM 1376 C THR A 85 12.587 4.521 8.283 1.00 0.00 C ATOM 1377 O THR A 85 13.450 3.705 7.945 1.00 0.00 O ATOM 1378 CB THR A 85 10.337 3.797 9.138 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.492 3.731 10.295 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.402 2.418 8.482 1.00 0.00 C ATOM 0 H THR A 85 10.767 5.949 10.360 1.00 0.00 H new ATOM 0 HA THR A 85 12.216 3.516 10.149 1.00 0.00 H new ATOM 0 HB THR A 85 9.926 4.507 8.420 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.470 4.607 10.734 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.397 2.097 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.022 2.470 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.834 1.702 9.182 1.00 0.00 H new ATOM 1388 N LYS A 86 12.351 5.647 7.600 1.00 0.00 N ATOM 1389 CA LYS A 86 13.117 5.976 6.397 1.00 0.00 C ATOM 1390 C LYS A 86 14.583 6.196 6.759 1.00 0.00 C ATOM 1391 O LYS A 86 15.477 5.908 5.964 1.00 0.00 O ATOM 1392 CB LYS A 86 12.544 7.212 5.673 1.00 0.00 C ATOM 1393 CG LYS A 86 12.684 8.521 6.448 1.00 0.00 C ATOM 1394 CD LYS A 86 12.204 9.730 5.640 1.00 0.00 C ATOM 1395 CE LYS A 86 10.729 9.624 5.262 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.251 10.842 4.554 1.00 0.00 N ATOM 0 H LYS A 86 11.645 6.337 7.857 1.00 0.00 H new ATOM 0 HA LYS A 86 13.040 5.135 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.045 7.319 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.488 7.039 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.112 8.455 7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.728 8.665 6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.364 10.639 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.804 9.820 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.579 8.751 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.133 9.469 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.513 10.579 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.859 11.514 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.046 11.286 4.052 1.00 0.00 H new ATOM 1410 N GLU A 87 14.820 6.691 7.976 1.00 0.00 N ATOM 1411 CA GLU A 87 16.177 6.878 8.486 1.00 0.00 C ATOM 1412 C GLU A 87 16.925 5.545 8.497 1.00 0.00 C ATOM 1413 O GLU A 87 18.063 5.452 8.035 1.00 0.00 O ATOM 1414 CB GLU A 87 16.146 7.477 9.903 1.00 0.00 C ATOM 1415 CG GLU A 87 17.528 7.719 10.509 1.00 0.00 C ATOM 1416 CD GLU A 87 18.309 8.820 9.800 1.00 0.00 C ATOM 1417 OE1 GLU A 87 18.733 8.614 8.645 1.00 0.00 O ATOM 1418 OE2 GLU A 87 18.501 9.901 10.395 1.00 0.00 O ATOM 0 H GLU A 87 14.086 6.970 8.627 1.00 0.00 H new ATOM 0 HA GLU A 87 16.699 7.572 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.603 8.422 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.587 6.808 10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.416 7.982 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.102 6.793 10.471 1.00 0.00 H new ATOM 1425 N VAL A 88 16.275 4.509 9.021 1.00 0.00 N ATOM 1426 CA VAL A 88 16.863 3.172 9.045 1.00 0.00 C ATOM 1427 C VAL A 88 17.187 2.709 7.622 1.00 0.00 C ATOM 1428 O VAL A 88 18.263 2.159 7.360 1.00 0.00 O ATOM 1429 CB VAL A 88 15.918 2.145 9.726 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.542 0.750 9.740 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.562 2.598 11.143 1.00 0.00 C ATOM 0 H VAL A 88 15.344 4.569 9.433 1.00 0.00 H new ATOM 0 HA VAL A 88 17.782 3.228 9.628 1.00 0.00 H new ATOM 0 HB VAL A 88 14.998 2.093 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.859 0.051 10.223 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.730 0.425 8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.482 0.777 10.291 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.899 1.865 11.603 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.472 2.687 11.736 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.060 3.565 11.101 1.00 0.00 H new ATOM 1441 N ILE A 89 16.254 2.962 6.707 1.00 0.00 N ATOM 1442 CA ILE A 89 16.413 2.572 5.310 1.00 0.00 C ATOM 1443 C ILE A 89 17.621 3.265 4.677 1.00 0.00 C ATOM 1444 O ILE A 89 18.439 2.617 4.032 1.00 0.00 O ATOM 1445 CB ILE A 89 15.139 2.890 4.480 1.00 0.00 C ATOM 1446 CG1 ILE A 89 13.929 2.122 5.041 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.356 2.552 3.002 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.636 2.383 4.294 1.00 0.00 C ATOM 0 H ILE A 89 15.375 3.438 6.911 1.00 0.00 H new ATOM 0 HA ILE A 89 16.575 1.494 5.299 1.00 0.00 H new ATOM 0 HB ILE A 89 14.936 3.958 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.144 1.054 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.793 2.392 6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.451 2.782 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.186 3.141 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.585 1.491 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.830 1.806 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.395 3.445 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.752 2.086 3.252 1.00 0.00 H new ATOM 1460 N THR A 90 17.745 4.574 4.888 1.00 0.00 N ATOM 1461 CA THR A 90 18.830 5.349 4.286 1.00 0.00 C ATOM 1462 C THR A 90 20.193 4.823 4.741 1.00 0.00 C ATOM 1463 O THR A 90 21.117 4.671 3.939 1.00 0.00 O ATOM 1464 CB THR A 90 18.722 6.857 4.629 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.787 7.046 6.050 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.423 7.454 4.096 1.00 0.00 C ATOM 0 H THR A 90 17.109 5.120 5.470 1.00 0.00 H new ATOM 0 HA THR A 90 18.738 5.234 3.206 1.00 0.00 H new ATOM 0 HB THR A 90 19.559 7.368 4.152 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.403 6.266 6.502 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.377 8.512 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.389 7.341 3.012 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.574 6.935 4.542 1.00 0.00 H new ATOM 1474 N ASN A 91 20.299 4.520 6.033 1.00 0.00 N ATOM 1475 CA ASN A 91 21.564 4.078 6.625 1.00 0.00 C ATOM 1476 C ASN A 91 21.797 2.579 6.434 1.00 0.00 C ATOM 1477 O ASN A 91 22.873 2.071 6.765 1.00 0.00 O ATOM 1478 CB ASN A 91 21.610 4.427 8.122 1.00 0.00 C ATOM 1479 CG ASN A 91 21.722 5.924 8.375 1.00 0.00 C ATOM 1480 OD1 ASN A 91 22.824 6.471 8.461 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.591 6.596 8.494 1.00 0.00 N ATOM 0 H ASN A 91 19.523 4.572 6.693 1.00 0.00 H new ATOM 0 HA ASN A 91 22.362 4.607 6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.711 4.047 8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.458 3.921 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.611 7.602 8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.698 6.109 8.417 1.00 0.00 H new ATOM 1488 N SER A 92 20.800 1.866 5.910 1.00 0.00 N ATOM 1489 CA SER A 92 20.929 0.424 5.681 1.00 0.00 C ATOM 1490 C SER A 92 20.658 0.048 4.220 1.00 0.00 C ATOM 1491 O SER A 92 20.639 -1.136 3.874 1.00 0.00 O ATOM 1492 CB SER A 92 19.975 -0.334 6.607 1.00 0.00 C ATOM 1493 OG SER A 92 20.199 0.024 7.963 1.00 0.00 O ATOM 0 H SER A 92 19.899 2.259 5.637 1.00 0.00 H new ATOM 0 HA SER A 92 21.958 0.142 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.943 -0.113 6.333 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.115 -1.408 6.481 1.00 0.00 H new ATOM 0 HG SER A 92 19.657 0.809 8.188 1.00 0.00 H new ATOM 1499 N ILE A 93 20.478 1.051 3.361 1.00 0.00 N ATOM 1500 CA ILE A 93 20.170 0.811 1.947 1.00 0.00 C ATOM 1501 C ILE A 93 21.365 0.169 1.241 1.00 0.00 C ATOM 1502 O ILE A 93 21.217 -0.473 0.199 1.00 0.00 O ATOM 1503 CB ILE A 93 19.763 2.124 1.211 1.00 0.00 C ATOM 1504 CG1 ILE A 93 19.180 1.822 -0.182 1.00 0.00 C ATOM 1505 CG2 ILE A 93 20.946 3.081 1.096 1.00 0.00 C ATOM 1506 CD1 ILE A 93 17.890 1.030 -0.146 1.00 0.00 C ATOM 0 H ILE A 93 20.540 2.037 3.617 1.00 0.00 H new ATOM 0 HA ILE A 93 19.320 0.129 1.912 1.00 0.00 H new ATOM 0 HB ILE A 93 18.990 2.607 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.003 2.763 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 93 19.919 1.269 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 93 20.632 3.987 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.304 3.338 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.748 2.602 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 93 17.541 0.857 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.064 0.073 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.135 1.590 0.406 1.00 0.00 H new ATOM 1518 N THR A 94 22.545 0.345 1.832 1.00 0.00 N ATOM 1519 CA THR A 94 23.778 -0.235 1.308 1.00 0.00 C ATOM 1520 C THR A 94 23.678 -1.764 1.221 1.00 0.00 C ATOM 1521 O THR A 94 24.183 -2.378 0.275 1.00 0.00 O ATOM 1522 CB THR A 94 24.996 0.165 2.185 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.203 -0.392 1.650 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.820 -0.289 3.632 1.00 0.00 C ATOM 0 H THR A 94 22.672 0.891 2.684 1.00 0.00 H new ATOM 0 HA THR A 94 23.924 0.161 0.303 1.00 0.00 H new ATOM 0 HB THR A 94 25.062 1.253 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.962 -0.130 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.692 0.008 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.927 0.174 4.052 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.716 -1.374 3.663 1.00 0.00 H new ATOM 1532 N GLN A 95 23.007 -2.372 2.201 1.00 0.00 N ATOM 1533 CA GLN A 95 22.846 -3.824 2.250 1.00 0.00 C ATOM 1534 C GLN A 95 21.445 -4.184 2.743 1.00 0.00 C ATOM 1535 O GLN A 95 21.231 -4.409 3.936 1.00 0.00 O ATOM 1536 CB GLN A 95 23.913 -4.468 3.156 1.00 0.00 C ATOM 1537 CG GLN A 95 25.347 -4.247 2.681 1.00 0.00 C ATOM 1538 CD GLN A 95 26.373 -4.921 3.574 1.00 0.00 C ATOM 1539 OE1 GLN A 95 26.162 -5.086 4.776 1.00 0.00 O ATOM 1540 NE2 GLN A 95 27.496 -5.312 2.993 1.00 0.00 N ATOM 0 H GLN A 95 22.564 -1.877 2.975 1.00 0.00 H new ATOM 0 HA GLN A 95 22.977 -4.215 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.809 -4.066 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.723 -5.539 3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 95 25.451 -4.627 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.552 -3.177 2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 95 27.634 -5.158 1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 95 28.223 -5.768 3.544 1.00 0.00 H new ATOM 1549 N PRO A 96 20.461 -4.199 1.828 1.00 0.00 N ATOM 1550 CA PRO A 96 19.079 -4.552 2.158 1.00 0.00 C ATOM 1551 C PRO A 96 18.863 -6.068 2.211 1.00 0.00 C ATOM 1552 O PRO A 96 19.623 -6.838 1.614 1.00 0.00 O ATOM 1553 CB PRO A 96 18.289 -3.924 1.006 1.00 0.00 C ATOM 1554 CG PRO A 96 19.217 -3.988 -0.162 1.00 0.00 C ATOM 1555 CD PRO A 96 20.616 -3.857 0.397 1.00 0.00 C ATOM 0 HA PRO A 96 18.779 -4.198 3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.367 -4.472 0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.006 -2.896 1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.100 -4.929 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.005 -3.187 -0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 96 21.311 -4.533 -0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 96 21.005 -2.847 0.267 1.00 0.00 H new ATOM 1563 N THR A 97 17.836 -6.487 2.945 1.00 0.00 N ATOM 1564 CA THR A 97 17.462 -7.893 3.032 1.00 0.00 C ATOM 1565 C THR A 97 16.513 -8.270 1.888 1.00 0.00 C ATOM 1566 O THR A 97 16.284 -7.461 0.983 1.00 0.00 O ATOM 1567 CB THR A 97 16.796 -8.192 4.396 1.00 0.00 C ATOM 1568 OG1 THR A 97 15.656 -7.340 4.588 1.00 0.00 O ATOM 1569 CG2 THR A 97 17.782 -7.987 5.543 1.00 0.00 C ATOM 0 H THR A 97 17.243 -5.864 3.493 1.00 0.00 H new ATOM 0 HA THR A 97 18.368 -8.493 2.945 1.00 0.00 H new ATOM 0 HB THR A 97 16.476 -9.234 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.241 -7.539 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 97 17.288 -8.204 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 97 18.633 -8.656 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 97 18.130 -6.954 5.543 1.00 0.00 H new ATOM 1577 N LEU A 98 15.957 -9.488 1.943 1.00 0.00 N ATOM 1578 CA LEU A 98 15.071 -9.999 0.891 1.00 0.00 C ATOM 1579 C LEU A 98 13.960 -8.994 0.579 1.00 0.00 C ATOM 1580 O LEU A 98 13.555 -8.829 -0.570 1.00 0.00 O ATOM 1581 CB LEU A 98 14.467 -11.346 1.319 1.00 0.00 C ATOM 1582 CG LEU A 98 13.672 -12.090 0.234 1.00 0.00 C ATOM 1583 CD1 LEU A 98 14.568 -12.439 -0.950 1.00 0.00 C ATOM 1584 CD2 LEU A 98 13.020 -13.346 0.807 1.00 0.00 C ATOM 0 H LEU A 98 16.108 -10.141 2.712 1.00 0.00 H new ATOM 0 HA LEU A 98 15.660 -10.146 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 98 15.274 -11.994 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 98 13.811 -11.175 2.173 1.00 0.00 H new ATOM 0 HG LEU A 98 12.882 -11.428 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 98 13.984 -12.965 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.977 -11.524 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.384 -13.078 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 98 12.463 -13.857 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.791 -14.011 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.340 -13.068 1.612 1.00 0.00 H new ATOM 1596 N HIS A 99 13.469 -8.331 1.622 1.00 0.00 N ATOM 1597 CA HIS A 99 12.552 -7.207 1.467 1.00 0.00 C ATOM 1598 C HIS A 99 12.699 -6.261 2.655 1.00 0.00 C ATOM 1599 O HIS A 99 11.885 -6.254 3.578 1.00 0.00 O ATOM 1600 CB HIS A 99 11.087 -7.662 1.259 1.00 0.00 C ATOM 1601 CG HIS A 99 10.475 -8.460 2.380 1.00 0.00 C ATOM 1602 ND1 HIS A 99 9.114 -8.660 2.494 1.00 0.00 N ATOM 1603 CD2 HIS A 99 11.034 -9.119 3.425 1.00 0.00 C ATOM 1604 CE1 HIS A 99 8.865 -9.398 3.558 1.00 0.00 C ATOM 1605 NE2 HIS A 99 10.012 -9.689 4.139 1.00 0.00 N ATOM 0 H HIS A 99 13.694 -8.556 2.591 1.00 0.00 H new ATOM 0 HA HIS A 99 12.820 -6.669 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.473 -6.777 1.093 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.039 -8.258 0.348 1.00 0.00 H new ATOM 0 HD1 HIS A 99 8.410 -8.293 1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.088 -9.183 3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.888 -9.711 3.896 1.00 0.00 H new ATOM 1614 N SER A 100 13.775 -5.477 2.625 1.00 0.00 N ATOM 1615 CA SER A 100 14.120 -4.563 3.717 1.00 0.00 C ATOM 1616 C SER A 100 13.001 -3.555 3.978 1.00 0.00 C ATOM 1617 O SER A 100 12.928 -2.959 5.055 1.00 0.00 O ATOM 1618 CB SER A 100 15.427 -3.824 3.390 1.00 0.00 C ATOM 1619 OG SER A 100 15.923 -3.117 4.516 1.00 0.00 O ATOM 0 H SER A 100 14.432 -5.456 1.845 1.00 0.00 H new ATOM 0 HA SER A 100 14.254 -5.156 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.175 -4.540 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.256 -3.128 2.569 1.00 0.00 H new ATOM 0 HG SER A 100 16.755 -2.660 4.274 1.00 0.00 H new ATOM 1625 N PHE A 101 12.126 -3.381 2.995 1.00 0.00 N ATOM 1626 CA PHE A 101 11.011 -2.443 3.102 1.00 0.00 C ATOM 1627 C PHE A 101 9.889 -3.026 3.964 1.00 0.00 C ATOM 1628 O PHE A 101 8.823 -2.433 4.080 1.00 0.00 O ATOM 1629 CB PHE A 101 10.490 -2.094 1.702 1.00 0.00 C ATOM 1630 CG PHE A 101 11.560 -1.552 0.783 1.00 0.00 C ATOM 1631 CD1 PHE A 101 11.981 -0.233 0.885 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.152 -2.364 -0.178 1.00 0.00 C ATOM 1633 CE1 PHE A 101 12.966 0.264 0.051 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.138 -1.871 -1.014 1.00 0.00 C ATOM 1635 CZ PHE A 101 13.545 -0.555 -0.898 1.00 0.00 C ATOM 0 H PHE A 101 12.167 -3.881 2.107 1.00 0.00 H new ATOM 0 HA PHE A 101 11.365 -1.533 3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.052 -2.985 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.692 -1.358 1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.533 0.413 1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.838 -3.393 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.282 1.293 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 101 13.589 -2.513 -1.756 1.00 0.00 H new ATOM 0 HZ PHE A 101 14.315 -0.168 -1.549 1.00 0.00 H new ATOM 1645 N ASP A 102 10.149 -4.188 4.564 1.00 0.00 N ATOM 1646 CA ASP A 102 9.198 -4.853 5.464 1.00 0.00 C ATOM 1647 C ASP A 102 8.714 -3.895 6.558 1.00 0.00 C ATOM 1648 O ASP A 102 7.508 -3.737 6.780 1.00 0.00 O ATOM 1649 CB ASP A 102 9.869 -6.083 6.097 1.00 0.00 C ATOM 1650 CG ASP A 102 8.989 -6.800 7.116 1.00 0.00 C ATOM 1651 OD1 ASP A 102 9.011 -6.411 8.303 1.00 0.00 O ATOM 1652 OD2 ASP A 102 8.296 -7.770 6.738 1.00 0.00 O ATOM 0 H ASP A 102 11.024 -4.697 4.442 1.00 0.00 H new ATOM 0 HA ASP A 102 8.330 -5.167 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.143 -6.784 5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.794 -5.773 6.583 1.00 0.00 H new ATOM 1657 N ALA A 103 9.666 -3.250 7.230 1.00 0.00 N ATOM 1658 CA ALA A 103 9.353 -2.293 8.290 1.00 0.00 C ATOM 1659 C ALA A 103 8.532 -1.131 7.737 1.00 0.00 C ATOM 1660 O ALA A 103 7.555 -0.693 8.353 1.00 0.00 O ATOM 1661 CB ALA A 103 10.635 -1.783 8.942 1.00 0.00 C ATOM 0 H ALA A 103 10.664 -3.373 7.058 1.00 0.00 H new ATOM 0 HA ALA A 103 8.759 -2.800 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.385 -1.072 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.183 -2.621 9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.254 -1.291 8.192 1.00 0.00 H new ATOM 1667 N ALA A 104 8.931 -0.654 6.561 1.00 0.00 N ATOM 1668 CA ALA A 104 8.239 0.441 5.890 1.00 0.00 C ATOM 1669 C ALA A 104 6.797 0.054 5.578 1.00 0.00 C ATOM 1670 O ALA A 104 5.872 0.840 5.787 1.00 0.00 O ATOM 1671 CB ALA A 104 8.978 0.835 4.616 1.00 0.00 C ATOM 0 H ALA A 104 9.737 -1.013 6.050 1.00 0.00 H new ATOM 0 HA ALA A 104 8.223 1.301 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.449 1.653 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.990 1.155 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.024 -0.021 3.943 1.00 0.00 H new ATOM 1677 N GLN A 105 6.626 -1.173 5.094 1.00 0.00 N ATOM 1678 CA GLN A 105 5.312 -1.728 4.784 1.00 0.00 C ATOM 1679 C GLN A 105 4.399 -1.639 5.999 1.00 0.00 C ATOM 1680 O GLN A 105 3.242 -1.239 5.890 1.00 0.00 O ATOM 1681 CB GLN A 105 5.463 -3.190 4.333 1.00 0.00 C ATOM 1682 CG GLN A 105 4.146 -3.956 4.227 1.00 0.00 C ATOM 1683 CD GLN A 105 4.334 -5.374 3.712 1.00 0.00 C ATOM 1684 OE1 GLN A 105 4.272 -5.624 2.513 1.00 0.00 O ATOM 1685 NE2 GLN A 105 4.577 -6.306 4.619 1.00 0.00 N ATOM 0 H GLN A 105 7.398 -1.813 4.905 1.00 0.00 H new ATOM 0 HA GLN A 105 4.863 -1.151 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.960 -3.209 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.116 -3.709 5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.670 -3.989 5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.470 -3.419 3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.621 -6.057 5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.721 -7.274 4.330 1.00 0.00 H new ATOM 1694 N SER A 106 4.942 -1.996 7.159 1.00 0.00 N ATOM 1695 CA SER A 106 4.192 -1.957 8.409 1.00 0.00 C ATOM 1696 C SER A 106 3.647 -0.549 8.664 1.00 0.00 C ATOM 1697 O SER A 106 2.467 -0.378 8.975 1.00 0.00 O ATOM 1698 CB SER A 106 5.085 -2.401 9.569 1.00 0.00 C ATOM 1699 OG SER A 106 5.634 -3.693 9.334 1.00 0.00 O ATOM 0 H SER A 106 5.905 -2.317 7.259 1.00 0.00 H new ATOM 0 HA SER A 106 3.348 -2.642 8.332 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.891 -1.680 9.706 1.00 0.00 H new ATOM 0 HB3 SER A 106 4.506 -2.412 10.493 1.00 0.00 H new ATOM 0 HG SER A 106 6.301 -3.640 8.618 1.00 0.00 H new ATOM 1705 N ARG A 107 4.514 0.455 8.508 1.00 0.00 N ATOM 1706 CA ARG A 107 4.116 1.851 8.691 1.00 0.00 C ATOM 1707 C ARG A 107 3.056 2.245 7.665 1.00 0.00 C ATOM 1708 O ARG A 107 1.916 2.535 8.022 1.00 0.00 O ATOM 1709 CB ARG A 107 5.325 2.799 8.583 1.00 0.00 C ATOM 1710 CG ARG A 107 6.173 2.917 9.851 1.00 0.00 C ATOM 1711 CD ARG A 107 6.846 1.605 10.235 1.00 0.00 C ATOM 1712 NE ARG A 107 7.803 1.785 11.325 1.00 0.00 N ATOM 1713 CZ ARG A 107 8.460 0.793 11.924 1.00 0.00 C ATOM 1714 NH1 ARG A 107 8.273 -0.465 11.545 1.00 0.00 N ATOM 1715 NH2 ARG A 107 9.315 1.067 12.898 1.00 0.00 N ATOM 0 H ARG A 107 5.494 0.326 8.256 1.00 0.00 H new ATOM 0 HA ARG A 107 3.697 1.944 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.963 2.457 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.966 3.792 8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.936 3.682 9.703 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.542 3.251 10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 107 6.088 0.881 10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.358 1.191 9.366 1.00 0.00 H new ATOM 0 HE ARG A 107 7.980 2.736 11.649 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.622 -0.679 10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.780 -1.218 12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 107 9.468 2.034 13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.821 0.311 13.360 1.00 0.00 H new ATOM 1729 N VAL A 108 3.443 2.219 6.393 1.00 0.00 N ATOM 1730 CA VAL A 108 2.580 2.671 5.300 1.00 0.00 C ATOM 1731 C VAL A 108 1.197 2.019 5.373 1.00 0.00 C ATOM 1732 O VAL A 108 0.177 2.688 5.190 1.00 0.00 O ATOM 1733 CB VAL A 108 3.226 2.373 3.923 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.322 2.822 2.778 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.597 3.043 3.823 1.00 0.00 C ATOM 0 H VAL A 108 4.358 1.886 6.089 1.00 0.00 H new ATOM 0 HA VAL A 108 2.461 3.749 5.410 1.00 0.00 H new ATOM 0 HB VAL A 108 3.357 1.294 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.803 2.599 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.371 2.293 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.145 3.895 2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.039 2.825 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.484 4.121 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.247 2.661 4.610 1.00 0.00 H new ATOM 1745 N TYR A 109 1.174 0.722 5.665 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.075 -0.028 5.786 1.00 0.00 C ATOM 1747 C TYR A 109 -0.996 0.599 6.839 1.00 0.00 C ATOM 1748 O TYR A 109 -2.109 1.021 6.525 1.00 0.00 O ATOM 1749 CB TYR A 109 0.227 -1.500 6.123 1.00 0.00 C ATOM 1750 CG TYR A 109 -0.980 -2.319 6.559 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.353 -2.386 7.900 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -1.747 -3.025 5.635 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.446 -3.123 8.304 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -2.844 -3.765 6.035 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.189 -3.811 7.371 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.288 -4.539 7.774 1.00 0.00 O ATOM 0 H TYR A 109 2.013 0.164 5.824 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.597 0.011 4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.672 -1.974 5.248 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.974 -1.530 6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.774 -1.850 8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -1.480 -2.994 4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -2.718 -3.161 9.348 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.429 -4.305 5.305 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.766 -4.048 8.475 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.519 0.681 8.081 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.353 1.159 9.187 1.00 0.00 C ATOM 1768 C GLN A 110 -1.615 2.662 9.081 1.00 0.00 C ATOM 1769 O GLN A 110 -2.576 3.173 9.660 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.717 0.813 10.542 1.00 0.00 C ATOM 1771 CG GLN A 110 0.655 1.436 10.773 1.00 0.00 C ATOM 1772 CD GLN A 110 1.256 1.065 12.121 1.00 0.00 C ATOM 1773 OE1 GLN A 110 0.929 -0.119 12.623 1.00 0.00 O flip ATOM 1774 NE2 GLN A 110 2.016 1.835 12.706 1.00 0.00 N flip ATOM 0 H GLN A 110 0.432 0.425 8.347 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.314 0.649 9.118 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.388 1.137 11.338 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.628 -0.270 10.622 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.331 1.117 9.980 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.572 2.521 10.704 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.246 2.738 12.291 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.416 1.571 13.606 1.00 0.00 H new ATOM 1783 N LEU A 111 -0.769 3.368 8.332 1.00 0.00 N ATOM 1784 CA LEU A 111 -0.938 4.806 8.138 1.00 0.00 C ATOM 1785 C LEU A 111 -2.164 5.102 7.275 1.00 0.00 C ATOM 1786 O LEU A 111 -2.920 6.029 7.564 1.00 0.00 O ATOM 1787 CB LEU A 111 0.323 5.431 7.517 1.00 0.00 C ATOM 1788 CG LEU A 111 1.545 5.502 8.449 1.00 0.00 C ATOM 1789 CD1 LEU A 111 2.756 6.065 7.713 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.230 6.334 9.693 1.00 0.00 C ATOM 0 H LEU A 111 0.037 2.969 7.851 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.094 5.257 9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.595 4.858 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.082 6.440 7.182 1.00 0.00 H new ATOM 0 HG LEU A 111 1.786 4.489 8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.608 6.106 8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.998 5.423 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.529 7.069 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.108 6.371 10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.956 7.346 9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.401 5.879 10.235 1.00 0.00 H new ATOM 1802 N MET A 112 -2.372 4.309 6.225 1.00 0.00 N ATOM 1803 CA MET A 112 -3.531 4.501 5.356 1.00 0.00 C ATOM 1804 C MET A 112 -4.709 3.658 5.831 1.00 0.00 C ATOM 1805 O MET A 112 -5.838 3.856 5.386 1.00 0.00 O ATOM 1806 CB MET A 112 -3.188 4.223 3.880 1.00 0.00 C ATOM 1807 CG MET A 112 -2.531 2.877 3.601 1.00 0.00 C ATOM 1808 SD MET A 112 -3.661 1.482 3.729 1.00 0.00 S ATOM 1809 CE MET A 112 -2.663 0.190 2.990 1.00 0.00 C ATOM 0 H MET A 112 -1.761 3.537 5.958 1.00 0.00 H new ATOM 0 HA MET A 112 -3.825 5.549 5.419 1.00 0.00 H new ATOM 0 HB2 MET A 112 -4.105 4.289 3.294 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.525 5.012 3.525 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.100 2.893 2.600 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.708 2.732 4.301 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.176 -0.211 2.116 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.700 0.602 2.688 1.00 0.00 H new ATOM 0 HE3 MET A 112 -2.505 -0.608 3.716 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.457 2.731 6.751 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.540 1.995 7.394 1.00 0.00 C ATOM 1821 C GLU A 113 -6.345 2.946 8.285 1.00 0.00 C ATOM 1822 O GLU A 113 -7.548 3.124 8.101 1.00 0.00 O ATOM 1823 CB GLU A 113 -4.996 0.821 8.228 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.085 0.002 8.922 1.00 0.00 C ATOM 1825 CD GLU A 113 -5.534 -1.102 9.817 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -5.118 -0.796 10.953 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -5.528 -2.281 9.394 1.00 0.00 O ATOM 0 H GLU A 113 -3.521 2.474 7.065 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.187 1.583 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.418 0.163 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.310 1.209 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.705 0.669 9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.732 -0.442 8.166 1.00 0.00 H new ATOM 1834 N GLN A 114 -5.655 3.590 9.221 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.295 4.470 10.203 1.00 0.00 C ATOM 1836 C GLN A 114 -7.074 5.612 9.538 1.00 0.00 C ATOM 1837 O GLN A 114 -7.987 6.180 10.143 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.237 5.036 11.161 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.144 5.839 10.465 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.035 6.263 11.409 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -3.088 7.333 12.013 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -2.022 5.422 11.547 1.00 0.00 N ATOM 0 H GLN A 114 -4.643 3.520 9.323 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.015 3.872 10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -5.729 5.672 11.897 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -4.778 4.213 11.708 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.719 5.242 9.658 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.585 6.725 10.009 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.014 4.544 11.029 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -1.249 5.652 12.172 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.715 5.950 8.302 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.389 7.026 7.569 1.00 0.00 C ATOM 1853 C ASP A 115 -8.204 6.470 6.403 1.00 0.00 C ATOM 1854 O ASP A 115 -9.436 6.462 6.437 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.367 8.052 7.044 1.00 0.00 C ATOM 1856 CG ASP A 115 -7.008 9.171 6.223 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.176 9.000 4.995 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -7.333 10.234 6.798 1.00 0.00 O ATOM 0 H ASP A 115 -5.962 5.496 7.785 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.067 7.522 8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.833 8.489 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.627 7.538 6.431 1.00 0.00 H new ATOM 1863 N SER A 116 -7.503 5.968 5.393 1.00 0.00 N ATOM 1864 CA SER A 116 -8.113 5.620 4.114 1.00 0.00 C ATOM 1865 C SER A 116 -9.038 4.398 4.205 1.00 0.00 C ATOM 1866 O SER A 116 -9.868 4.194 3.321 1.00 0.00 O ATOM 1867 CB SER A 116 -7.021 5.403 3.063 1.00 0.00 C ATOM 1868 OG SER A 116 -6.172 6.541 2.978 1.00 0.00 O ATOM 0 H SER A 116 -6.499 5.791 5.436 1.00 0.00 H new ATOM 0 HA SER A 116 -8.745 6.456 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.432 4.522 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.477 5.210 2.092 1.00 0.00 H new ATOM 0 HG SER A 116 -5.480 6.383 2.303 1.00 0.00 H new ATOM 1874 N TYR A 117 -8.914 3.592 5.263 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.796 2.431 5.436 1.00 0.00 C ATOM 1876 C TYR A 117 -11.223 2.885 5.727 1.00 0.00 C ATOM 1877 O TYR A 117 -12.144 2.590 4.967 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.290 1.519 6.559 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.163 0.304 6.834 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.604 -0.516 5.798 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.538 -0.026 8.134 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.392 -1.623 6.050 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.323 -1.133 8.391 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.747 -1.928 7.349 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.529 -3.030 7.603 1.00 0.00 O ATOM 0 H TYR A 117 -8.223 3.717 6.003 1.00 0.00 H new ATOM 0 HA TYR A 117 -9.791 1.862 4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.286 1.178 6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -9.207 2.105 7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.326 -0.283 4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.209 0.594 8.955 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.728 -2.246 5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.603 -1.375 9.406 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.768 -3.463 6.757 1.00 0.00 H new ATOM 1895 N THR A 118 -11.398 3.617 6.823 1.00 0.00 N ATOM 1896 CA THR A 118 -12.707 4.142 7.195 1.00 0.00 C ATOM 1897 C THR A 118 -13.185 5.157 6.157 1.00 0.00 C ATOM 1898 O THR A 118 -14.378 5.255 5.858 1.00 0.00 O ATOM 1899 CB THR A 118 -12.655 4.786 8.597 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.532 5.673 8.679 1.00 0.00 O ATOM 1901 CG2 THR A 118 -12.543 3.723 9.684 1.00 0.00 C ATOM 0 H THR A 118 -10.648 3.860 7.470 1.00 0.00 H new ATOM 0 HA THR A 118 -13.416 3.315 7.225 1.00 0.00 H new ATOM 0 HB THR A 118 -13.579 5.343 8.752 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.502 6.082 9.569 1.00 0.00 H new ATOM 0 HG21 THR A 118 -12.508 4.204 10.661 1.00 0.00 H new ATOM 0 HG22 THR A 118 -13.408 3.061 9.636 1.00 0.00 H new ATOM 0 HG23 THR A 118 -11.633 3.143 9.533 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.225 5.892 5.609 1.00 0.00 N ATOM 1910 CA ARG A 119 -12.466 6.811 4.501 1.00 0.00 C ATOM 1911 C ARG A 119 -13.119 6.053 3.342 1.00 0.00 C ATOM 1912 O ARG A 119 -14.123 6.490 2.769 1.00 0.00 O ATOM 1913 CB ARG A 119 -11.120 7.404 4.077 1.00 0.00 C ATOM 1914 CG ARG A 119 -11.190 8.635 3.188 1.00 0.00 C ATOM 1915 CD ARG A 119 -9.785 9.135 2.864 1.00 0.00 C ATOM 1916 NE ARG A 119 -9.790 10.452 2.228 1.00 0.00 N ATOM 1917 CZ ARG A 119 -9.102 11.502 2.685 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -8.333 11.382 3.764 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -9.164 12.663 2.045 1.00 0.00 N ATOM 0 H ARG A 119 -11.254 5.868 5.921 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.139 7.614 4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -10.558 7.659 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -10.553 6.633 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -11.720 8.396 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -11.757 9.421 3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.199 9.181 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.291 8.420 2.206 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.352 10.576 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.267 10.485 4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.810 12.186 4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.736 12.753 1.206 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.639 13.466 2.393 1.00 0.00 H new ATOM 1933 N PHE A 120 -12.548 4.894 3.030 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.073 4.023 1.988 1.00 0.00 C ATOM 1935 C PHE A 120 -14.445 3.487 2.386 1.00 0.00 C ATOM 1936 O PHE A 120 -15.358 3.445 1.568 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.096 2.866 1.722 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.589 1.852 0.716 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.870 2.226 -0.590 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -12.765 0.522 1.078 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.317 1.299 -1.511 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.211 -0.408 0.159 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.488 -0.020 -1.136 1.00 0.00 C ATOM 0 H PHE A 120 -11.712 4.535 3.491 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.184 4.601 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.150 3.279 1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -11.891 2.356 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.738 3.255 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -12.551 0.212 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.533 1.605 -2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.343 -1.439 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.838 -0.746 -1.855 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.594 3.110 3.652 1.00 0.00 N ATOM 1954 CA LEU A 121 -15.859 2.568 4.153 1.00 0.00 C ATOM 1955 C LEU A 121 -17.006 3.561 3.950 1.00 0.00 C ATOM 1956 O LEU A 121 -18.169 3.167 3.865 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.743 2.196 5.641 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.732 1.082 5.968 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.696 0.808 7.469 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.057 -0.196 5.193 1.00 0.00 C ATOM 0 H LEU A 121 -13.855 3.169 4.353 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.079 1.666 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.466 3.090 6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.726 1.888 5.998 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.744 1.423 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.975 0.017 7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.403 1.715 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.684 0.495 7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.328 -0.968 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.056 -0.540 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.019 0.008 4.123 1.00 0.00 H new ATOM 1972 N LYS A 122 -16.676 4.852 3.883 1.00 0.00 N ATOM 1973 CA LYS A 122 -17.682 5.897 3.671 1.00 0.00 C ATOM 1974 C LYS A 122 -17.509 6.595 2.321 1.00 0.00 C ATOM 1975 O LYS A 122 -18.177 7.594 2.045 1.00 0.00 O ATOM 1976 CB LYS A 122 -17.660 6.913 4.831 1.00 0.00 C ATOM 1977 CG LYS A 122 -18.715 6.636 5.903 1.00 0.00 C ATOM 1978 CD LYS A 122 -18.575 5.237 6.509 1.00 0.00 C ATOM 1979 CE LYS A 122 -19.805 4.843 7.319 1.00 0.00 C ATOM 1980 NZ LYS A 122 -19.674 3.483 7.910 1.00 0.00 N ATOM 0 H LYS A 122 -15.721 5.200 3.972 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.659 5.414 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.673 6.904 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -17.815 7.914 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -18.631 7.382 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.709 6.743 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -18.417 4.510 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -17.693 5.205 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -19.962 5.570 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.686 4.876 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -20.532 3.256 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -19.550 2.785 7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.848 3.457 8.542 1.00 0.00 H new ATOM 1994 N SER A 123 -16.617 6.075 1.480 1.00 0.00 N ATOM 1995 CA SER A 123 -16.511 6.549 0.102 1.00 0.00 C ATOM 1996 C SER A 123 -17.754 6.119 -0.677 1.00 0.00 C ATOM 1997 O SER A 123 -18.239 4.998 -0.495 1.00 0.00 O ATOM 1998 CB SER A 123 -15.260 5.982 -0.577 1.00 0.00 C ATOM 1999 OG SER A 123 -15.391 4.589 -0.817 1.00 0.00 O ATOM 0 H SER A 123 -15.963 5.332 1.726 1.00 0.00 H new ATOM 0 HA SER A 123 -16.434 7.636 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.088 6.501 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.388 6.165 0.051 1.00 0.00 H new ATOM 0 HG SER A 123 -15.102 4.092 -0.024 1.00 0.00 H new ATOM 2005 N ASP A 124 -18.256 6.994 -1.546 1.00 0.00 N ATOM 2006 CA ASP A 124 -19.453 6.696 -2.338 1.00 0.00 C ATOM 2007 C ASP A 124 -19.299 5.391 -3.117 1.00 0.00 C ATOM 2008 O ASP A 124 -20.272 4.665 -3.308 1.00 0.00 O ATOM 2009 CB ASP A 124 -19.768 7.843 -3.309 1.00 0.00 C ATOM 2010 CG ASP A 124 -20.147 9.131 -2.595 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -21.349 9.333 -2.315 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -19.240 9.942 -2.310 1.00 0.00 O ATOM 0 H ASP A 124 -17.855 7.915 -1.721 1.00 0.00 H new ATOM 0 HA ASP A 124 -20.281 6.584 -1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -18.900 8.026 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.584 7.543 -3.966 1.00 0.00 H new ATOM 2017 N ILE A 125 -18.075 5.088 -3.556 1.00 0.00 N ATOM 2018 CA ILE A 125 -17.829 3.875 -4.338 1.00 0.00 C ATOM 2019 C ILE A 125 -18.064 2.618 -3.487 1.00 0.00 C ATOM 2020 O ILE A 125 -18.654 1.639 -3.956 1.00 0.00 O ATOM 2021 CB ILE A 125 -16.400 3.858 -4.960 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -16.226 2.646 -5.895 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -15.316 3.863 -3.882 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -17.152 2.661 -7.097 1.00 0.00 C ATOM 0 H ILE A 125 -17.247 5.659 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 125 -18.542 3.876 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 125 -16.288 4.770 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -15.194 2.613 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -16.399 1.732 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -14.334 3.851 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -15.414 4.761 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -15.426 2.981 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -16.970 1.776 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -18.188 2.661 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -16.964 3.556 -7.690 1.00 0.00 H new ATOM 2036 N TYR A 126 -17.626 2.650 -2.229 1.00 0.00 N ATOM 2037 CA TYR A 126 -17.871 1.536 -1.316 1.00 0.00 C ATOM 2038 C TYR A 126 -19.343 1.507 -0.918 1.00 0.00 C ATOM 2039 O TYR A 126 -19.971 0.447 -0.892 1.00 0.00 O ATOM 2040 CB TYR A 126 -16.986 1.649 -0.071 1.00 0.00 C ATOM 2041 CG TYR A 126 -17.177 0.527 0.939 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -16.526 -0.693 0.786 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.004 0.690 2.048 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -16.692 -1.713 1.706 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -18.173 -0.324 2.970 1.00 0.00 C ATOM 2046 CZ TYR A 126 -17.516 -1.523 2.795 1.00 0.00 C ATOM 2047 OH TYR A 126 -17.682 -2.535 3.714 1.00 0.00 O ATOM 0 H TYR A 126 -17.105 3.427 -1.822 1.00 0.00 H new ATOM 0 HA TYR A 126 -17.621 0.606 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -15.942 1.667 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -17.189 2.601 0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -15.880 -0.847 -0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -18.523 1.627 2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.179 -2.654 1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -18.817 -0.178 3.825 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.766 -3.392 3.246 1.00 0.00 H new ATOM 2057 N LEU A 127 -19.891 2.686 -0.624 1.00 0.00 N ATOM 2058 CA LEU A 127 -21.305 2.817 -0.282 1.00 0.00 C ATOM 2059 C LEU A 127 -22.175 2.372 -1.456 1.00 0.00 C ATOM 2060 O LEU A 127 -23.327 1.979 -1.276 1.00 0.00 O ATOM 2061 CB LEU A 127 -21.637 4.261 0.128 1.00 0.00 C ATOM 2062 CG LEU A 127 -20.936 4.758 1.404 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -21.315 6.208 1.700 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -21.270 3.856 2.594 1.00 0.00 C ATOM 0 H LEU A 127 -19.375 3.566 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 127 -21.516 2.171 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -21.372 4.925 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -22.715 4.343 0.270 1.00 0.00 H new ATOM 0 HG LEU A 127 -19.860 4.715 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -20.808 6.539 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -21.014 6.840 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -22.393 6.281 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -20.763 4.227 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -22.347 3.859 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -20.938 2.839 2.384 1.00 0.00 H new ATOM 2076 N ASP A 128 -21.611 2.430 -2.657 1.00 0.00 N ATOM 2077 CA ASP A 128 -22.270 1.899 -3.845 1.00 0.00 C ATOM 2078 C ASP A 128 -22.343 0.378 -3.769 1.00 0.00 C ATOM 2079 O ASP A 128 -23.378 -0.220 -4.066 1.00 0.00 O ATOM 2080 CB ASP A 128 -21.534 2.330 -5.121 1.00 0.00 C ATOM 2081 CG ASP A 128 -22.140 1.719 -6.374 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -23.337 1.958 -6.638 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -21.427 0.989 -7.098 1.00 0.00 O ATOM 0 H ASP A 128 -20.695 2.841 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 128 -23.282 2.303 -3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -21.558 3.417 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -20.486 2.039 -5.049 1.00 0.00 H new ATOM 2088 N LEU A 129 -21.242 -0.242 -3.353 1.00 0.00 N ATOM 2089 CA LEU A 129 -21.205 -1.692 -3.160 1.00 0.00 C ATOM 2090 C LEU A 129 -22.212 -2.109 -2.086 1.00 0.00 C ATOM 2091 O LEU A 129 -22.742 -3.221 -2.112 1.00 0.00 O ATOM 2092 CB LEU A 129 -19.795 -2.156 -2.755 1.00 0.00 C ATOM 2093 CG LEU A 129 -18.671 -1.809 -3.746 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -17.309 -2.212 -3.182 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -18.915 -2.483 -5.096 1.00 0.00 C ATOM 0 H LEU A 129 -20.365 0.234 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 129 -21.469 -2.165 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -19.551 -1.716 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -19.813 -3.237 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 129 -18.672 -0.730 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -16.529 -1.958 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.130 -1.680 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -17.295 -3.286 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -18.109 -2.225 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -18.946 -3.564 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -19.865 -2.141 -5.507 1.00 0.00 H new ATOM 2107 N MET A 130 -22.464 -1.205 -1.140 1.00 0.00 N ATOM 2108 CA MET A 130 -23.397 -1.467 -0.043 1.00 0.00 C ATOM 2109 C MET A 130 -24.843 -1.286 -0.514 1.00 0.00 C ATOM 2110 O MET A 130 -25.627 -2.238 -0.579 1.00 0.00 O ATOM 2111 CB MET A 130 -23.143 -0.505 1.135 1.00 0.00 C ATOM 2112 CG MET A 130 -21.687 -0.371 1.584 1.00 0.00 C ATOM 2113 SD MET A 130 -21.005 -1.862 2.340 1.00 0.00 S ATOM 2114 CE MET A 130 -20.412 -2.767 0.908 1.00 0.00 C ATOM 0 H MET A 130 -22.033 -0.281 -1.111 1.00 0.00 H new ATOM 0 HA MET A 130 -23.239 -2.495 0.284 1.00 0.00 H new ATOM 0 HB2 MET A 130 -23.510 0.483 0.858 1.00 0.00 H new ATOM 0 HB3 MET A 130 -23.737 -0.839 1.986 1.00 0.00 H new ATOM 0 HG2 MET A 130 -21.076 -0.102 0.722 1.00 0.00 H new ATOM 0 HG3 MET A 130 -21.612 0.451 2.296 1.00 0.00 H new ATOM 0 HE1 MET A 130 -19.473 -3.263 1.154 1.00 0.00 H new ATOM 0 HE2 MET A 130 -21.151 -3.513 0.617 1.00 0.00 H new ATOM 0 HE3 MET A 130 -20.251 -2.075 0.081 1.00 0.00 H new