USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0674) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -119:sc= 0.103 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= -0.213 (180deg=-1.76!) USER MOD Single : A 16 MET CE :methyl -139:sc= -0.245 (180deg=-1.18) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.336 K(o=0.34,f=-4.4!) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc=-0.00488 (180deg=-0.191) USER MOD Single : A 34 GLN :FLIP amide:sc= 0.101 F(o=-1.3,f=0.1) USER MOD Single : A 36 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -0.0267 (180deg=-0.479) USER MOD Single : A 45 TYR OH : rot -167:sc= 0.0184 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.123 K(o=-0.12,f=-1) USER MOD Single : A 53 SER OG : rot 46:sc= 0.366 USER MOD Single : A 61 TYR OH : rot 169:sc= 0.231 USER MOD Single : A 66 SER OG : rot -11:sc= 0.613 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.945 X(o=-0.95,f=-0.93) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.121) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -38.559 -25.311 16.455 1.00 0.00 N ATOM 2 CA GLY A -1 -37.134 -24.971 16.306 1.00 0.00 C ATOM 3 C GLY A -1 -36.433 -25.871 15.292 1.00 0.00 C ATOM 4 O GLY A -1 -37.057 -26.767 14.728 1.00 0.00 O ATOM 0 H1 GLY A -1 -39.141 -24.493 16.185 1.00 0.00 H new ATOM 0 H2 GLY A -1 -38.790 -26.118 15.840 1.00 0.00 H new ATOM 0 H3 GLY A -1 -38.754 -25.563 17.445 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -37.040 -23.931 15.993 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -36.638 -25.059 17.272 1.00 0.00 H new ATOM 10 N SER A 0 -35.137 -25.624 15.064 1.00 0.00 N ATOM 11 CA SER A 0 -34.317 -26.411 14.151 1.00 0.00 C ATOM 12 C SER A 0 -33.884 -27.728 14.800 1.00 0.00 C ATOM 13 O SER A 0 -33.987 -27.893 16.015 1.00 0.00 O ATOM 14 CB SER A 0 -33.100 -25.586 13.710 1.00 0.00 C ATOM 15 OG SER A 0 -32.270 -25.277 14.811 1.00 0.00 O ATOM 0 H SER A 0 -34.629 -24.864 15.515 1.00 0.00 H new ATOM 0 HA SER A 0 -34.909 -26.661 13.271 1.00 0.00 H new ATOM 0 HB2 SER A 0 -32.530 -26.142 12.966 1.00 0.00 H new ATOM 0 HB3 SER A 0 -33.435 -24.665 13.233 1.00 0.00 H new ATOM 0 HG SER A 0 -31.501 -24.753 14.504 1.00 0.00 H new ATOM 21 N MET A 1 -33.393 -28.657 13.971 1.00 0.00 N ATOM 22 CA MET A 1 -32.810 -29.924 14.391 1.00 0.00 C ATOM 23 C MET A 1 -31.457 -30.077 13.699 1.00 0.00 C ATOM 24 O MET A 1 -30.430 -30.200 14.364 1.00 0.00 O ATOM 25 CB MET A 1 -33.743 -31.102 14.064 1.00 0.00 C ATOM 26 CG MET A 1 -35.116 -30.989 14.739 1.00 0.00 C ATOM 27 SD MET A 1 -36.325 -29.957 13.862 1.00 0.00 S ATOM 28 CE MET A 1 -37.655 -29.939 15.086 1.00 0.00 C ATOM 0 H MET A 1 -33.394 -28.538 12.958 1.00 0.00 H new ATOM 0 HA MET A 1 -32.673 -29.928 15.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 -33.880 -31.160 12.984 1.00 0.00 H new ATOM 0 HB3 MET A 1 -33.267 -32.032 14.376 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.531 -31.990 14.852 1.00 0.00 H new ATOM 0 HG3 MET A 1 -34.978 -30.586 15.742 1.00 0.00 H new ATOM 0 HE1 MET A 1 -38.488 -29.345 14.710 1.00 0.00 H new ATOM 0 HE2 MET A 1 -37.992 -30.959 15.272 1.00 0.00 H new ATOM 0 HE3 MET A 1 -37.288 -29.503 16.015 1.00 0.00 H new ATOM 38 N LYS A 2 -31.458 -30.033 12.360 1.00 0.00 N ATOM 39 CA LYS A 2 -30.242 -30.008 11.560 1.00 0.00 C ATOM 40 C LYS A 2 -29.488 -28.691 11.769 1.00 0.00 C ATOM 41 O LYS A 2 -30.082 -27.681 12.149 1.00 0.00 O ATOM 42 CB LYS A 2 -30.570 -30.248 10.078 1.00 0.00 C ATOM 43 CG LYS A 2 -31.438 -29.142 9.459 1.00 0.00 C ATOM 44 CD LYS A 2 -31.675 -29.432 7.971 1.00 0.00 C ATOM 45 CE LYS A 2 -32.491 -28.326 7.289 1.00 0.00 C ATOM 46 NZ LYS A 2 -33.848 -28.289 7.805 1.00 0.00 N ATOM 0 H LYS A 2 -32.313 -30.014 11.804 1.00 0.00 H new ATOM 0 HA LYS A 2 -29.587 -30.816 11.888 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -29.640 -30.327 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -31.085 -31.203 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -32.392 -29.081 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -30.948 -28.175 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -30.715 -29.537 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -32.197 -30.383 7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -32.010 -27.361 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -32.512 -28.495 6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -34.417 -27.629 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -34.266 -29.240 7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -33.834 -27.972 8.795 1.00 0.00 H new ATOM 59 N LYS A 3 -28.174 -28.712 11.517 1.00 0.00 N ATOM 60 CA LYS A 3 -27.281 -27.576 11.692 1.00 0.00 C ATOM 61 C LYS A 3 -26.042 -27.804 10.823 1.00 0.00 C ATOM 62 O LYS A 3 -25.755 -28.943 10.458 1.00 0.00 O ATOM 63 CB LYS A 3 -26.943 -27.434 13.186 1.00 0.00 C ATOM 64 CG LYS A 3 -26.172 -26.146 13.510 1.00 0.00 C ATOM 65 CD LYS A 3 -26.059 -25.892 15.019 1.00 0.00 C ATOM 66 CE LYS A 3 -27.396 -25.488 15.657 1.00 0.00 C ATOM 67 NZ LYS A 3 -27.184 -25.094 17.036 1.00 0.00 N ATOM 0 H LYS A 3 -27.696 -29.546 11.176 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.745 -26.642 11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -27.867 -27.453 13.765 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.352 -28.293 13.502 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -25.173 -26.207 13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.671 -25.299 13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -25.686 -26.792 15.507 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.325 -25.106 15.196 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -27.842 -24.665 15.099 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.098 -26.321 15.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -28.092 -24.822 17.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.778 -25.891 17.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.530 -24.286 17.070 1.00 0.00 H new ATOM 80 N TRP A 4 -25.315 -26.724 10.505 1.00 0.00 N ATOM 81 CA TRP A 4 -24.047 -26.757 9.791 1.00 0.00 C ATOM 82 C TRP A 4 -23.313 -25.440 10.052 1.00 0.00 C ATOM 83 O TRP A 4 -23.932 -24.435 10.398 1.00 0.00 O ATOM 84 CB TRP A 4 -24.246 -26.937 8.276 1.00 0.00 C ATOM 85 CG TRP A 4 -24.780 -28.256 7.812 1.00 0.00 C ATOM 86 CD1 TRP A 4 -25.963 -28.458 7.190 1.00 0.00 C ATOM 87 CD2 TRP A 4 -24.173 -29.573 7.948 1.00 0.00 C ATOM 88 NE1 TRP A 4 -26.133 -29.803 6.931 1.00 0.00 N ATOM 89 CE2 TRP A 4 -25.059 -30.539 7.385 1.00 0.00 C ATOM 90 CE3 TRP A 4 -22.969 -30.053 8.507 1.00 0.00 C ATOM 91 CZ2 TRP A 4 -24.761 -31.910 7.372 1.00 0.00 C ATOM 92 CZ3 TRP A 4 -22.669 -31.428 8.513 1.00 0.00 C ATOM 93 CH2 TRP A 4 -23.557 -32.355 7.942 1.00 0.00 C ATOM 0 H TRP A 4 -25.609 -25.778 10.748 1.00 0.00 H new ATOM 0 HA TRP A 4 -23.469 -27.608 10.150 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -24.923 -26.156 7.928 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -23.287 -26.769 7.786 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -26.670 -27.683 6.934 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -26.948 -30.201 6.464 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -22.267 -29.354 8.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -25.449 -32.615 6.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -21.749 -31.773 8.960 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -23.314 -33.407 7.941 1.00 0.00 H new ATOM 104 N SER A 5 -21.985 -25.469 9.883 1.00 0.00 N ATOM 105 CA SER A 5 -21.086 -24.326 9.991 1.00 0.00 C ATOM 106 C SER A 5 -20.299 -24.180 8.686 1.00 0.00 C ATOM 107 O SER A 5 -20.206 -25.131 7.910 1.00 0.00 O ATOM 108 CB SER A 5 -20.153 -24.522 11.192 1.00 0.00 C ATOM 109 OG SER A 5 -19.413 -25.717 11.067 1.00 0.00 O ATOM 0 H SER A 5 -21.491 -26.332 9.657 1.00 0.00 H new ATOM 0 HA SER A 5 -21.654 -23.410 10.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.472 -23.675 11.270 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.738 -24.547 12.111 1.00 0.00 H new ATOM 0 HG SER A 5 -18.824 -25.820 11.843 1.00 0.00 H new ATOM 115 N ASP A 6 -19.746 -22.986 8.438 1.00 0.00 N ATOM 116 CA ASP A 6 -19.030 -22.659 7.216 1.00 0.00 C ATOM 117 C ASP A 6 -18.196 -21.391 7.429 1.00 0.00 C ATOM 118 O ASP A 6 -18.470 -20.620 8.347 1.00 0.00 O ATOM 119 CB ASP A 6 -20.040 -22.474 6.069 1.00 0.00 C ATOM 120 CG ASP A 6 -19.380 -22.209 4.717 1.00 0.00 C ATOM 121 OD1 ASP A 6 -18.327 -22.774 4.431 1.00 0.00 O ATOM 122 OD2 ASP A 6 -20.031 -21.332 3.900 1.00 0.00 O ATOM 0 H ASP A 6 -19.789 -22.211 9.099 1.00 0.00 H new ATOM 0 HA ASP A 6 -18.351 -23.470 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -20.660 -23.367 5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -20.704 -21.644 6.310 1.00 0.00 H new ATOM 128 N THR A 7 -17.194 -21.190 6.563 1.00 0.00 N ATOM 129 CA THR A 7 -16.368 -19.991 6.465 1.00 0.00 C ATOM 130 C THR A 7 -15.442 -19.850 7.675 1.00 0.00 C ATOM 131 O THR A 7 -15.843 -19.334 8.717 1.00 0.00 O ATOM 132 CB THR A 7 -17.228 -18.737 6.217 1.00 0.00 C ATOM 133 OG1 THR A 7 -18.113 -18.978 5.141 1.00 0.00 O ATOM 134 CG2 THR A 7 -16.350 -17.532 5.862 1.00 0.00 C ATOM 0 H THR A 7 -16.928 -21.899 5.879 1.00 0.00 H new ATOM 0 HA THR A 7 -15.720 -20.096 5.595 1.00 0.00 H new ATOM 0 HB THR A 7 -17.782 -18.519 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 7 -18.662 -18.181 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 7 -16.981 -16.660 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.663 -17.328 6.683 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.781 -17.750 4.958 1.00 0.00 H new ATOM 142 N GLU A 8 -14.187 -20.287 7.517 1.00 0.00 N ATOM 143 CA GLU A 8 -13.140 -20.175 8.520 1.00 0.00 C ATOM 144 C GLU A 8 -11.801 -20.014 7.800 1.00 0.00 C ATOM 145 O GLU A 8 -11.602 -20.596 6.735 1.00 0.00 O ATOM 146 CB GLU A 8 -13.166 -21.421 9.417 1.00 0.00 C ATOM 147 CG GLU A 8 -12.147 -21.337 10.558 1.00 0.00 C ATOM 148 CD GLU A 8 -12.284 -22.524 11.506 1.00 0.00 C ATOM 149 OE1 GLU A 8 -12.781 -22.356 12.617 1.00 0.00 O ATOM 150 OE2 GLU A 8 -11.829 -23.719 11.035 1.00 0.00 O ATOM 0 H GLU A 8 -13.870 -20.740 6.660 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.294 -19.306 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.165 -21.545 9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.960 -22.305 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.138 -21.311 10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.291 -20.408 11.110 1.00 0.00 H new ATOM 158 N VAL A 9 -10.894 -19.214 8.373 1.00 0.00 N ATOM 159 CA VAL A 9 -9.573 -18.978 7.809 1.00 0.00 C ATOM 160 C VAL A 9 -8.749 -20.268 7.873 1.00 0.00 C ATOM 161 O VAL A 9 -8.688 -20.920 8.914 1.00 0.00 O ATOM 162 CB VAL A 9 -8.900 -17.782 8.508 1.00 0.00 C ATOM 163 CG1 VAL A 9 -8.555 -18.042 9.980 1.00 0.00 C ATOM 164 CG2 VAL A 9 -7.640 -17.345 7.751 1.00 0.00 C ATOM 0 H VAL A 9 -11.063 -18.713 9.245 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.653 -18.707 6.756 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.639 -16.981 8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.084 -17.156 10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.467 -18.269 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.869 -18.886 10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.182 -16.499 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.932 -18.173 7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.909 -17.052 6.736 1.00 0.00 H new ATOM 174 N PHE A 10 -8.164 -20.653 6.733 1.00 0.00 N ATOM 175 CA PHE A 10 -7.485 -21.924 6.535 1.00 0.00 C ATOM 176 C PHE A 10 -6.183 -21.711 5.757 1.00 0.00 C ATOM 177 O PHE A 10 -5.179 -21.325 6.353 1.00 0.00 O ATOM 178 CB PHE A 10 -8.449 -22.961 5.917 1.00 0.00 C ATOM 179 CG PHE A 10 -9.516 -22.511 4.918 1.00 0.00 C ATOM 180 CD1 PHE A 10 -9.343 -21.407 4.054 1.00 0.00 C ATOM 181 CD2 PHE A 10 -10.713 -23.252 4.842 1.00 0.00 C ATOM 182 CE1 PHE A 10 -10.356 -21.041 3.152 1.00 0.00 C ATOM 183 CE2 PHE A 10 -11.726 -22.885 3.941 1.00 0.00 C ATOM 184 CZ PHE A 10 -11.550 -21.777 3.097 1.00 0.00 C ATOM 0 H PHE A 10 -8.154 -20.064 5.900 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.186 -22.348 7.494 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.839 -23.716 5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.964 -23.456 6.740 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.425 -20.840 4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.852 -24.110 5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.216 -20.192 2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.642 -23.456 3.897 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.331 -21.492 2.408 1.00 0.00 H new ATOM 194 N GLU A 11 -6.197 -21.962 4.444 1.00 0.00 N ATOM 195 CA GLU A 11 -5.077 -21.795 3.532 1.00 0.00 C ATOM 196 C GLU A 11 -5.463 -20.843 2.397 1.00 0.00 C ATOM 197 O GLU A 11 -6.640 -20.538 2.209 1.00 0.00 O ATOM 198 CB GLU A 11 -4.660 -23.168 2.977 1.00 0.00 C ATOM 199 CG GLU A 11 -5.774 -23.879 2.207 1.00 0.00 C ATOM 200 CD GLU A 11 -5.273 -25.175 1.575 1.00 0.00 C ATOM 201 OE1 GLU A 11 -5.181 -25.255 0.352 1.00 0.00 O ATOM 202 OE2 GLU A 11 -4.952 -26.177 2.441 1.00 0.00 O ATOM 0 H GLU A 11 -7.034 -22.304 3.972 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.232 -21.361 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.800 -23.039 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.338 -23.802 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.602 -24.097 2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.160 -23.219 1.430 1.00 0.00 H new ATOM 210 N MET A 12 -4.452 -20.423 1.626 1.00 0.00 N ATOM 211 CA MET A 12 -4.572 -19.666 0.383 1.00 0.00 C ATOM 212 C MET A 12 -5.133 -18.257 0.576 1.00 0.00 C ATOM 213 O MET A 12 -5.634 -17.915 1.640 1.00 0.00 O ATOM 214 CB MET A 12 -5.396 -20.442 -0.655 1.00 0.00 C ATOM 215 CG MET A 12 -4.624 -21.667 -1.158 1.00 0.00 C ATOM 216 SD MET A 12 -5.469 -22.598 -2.463 1.00 0.00 S ATOM 217 CE MET A 12 -4.147 -23.760 -2.890 1.00 0.00 C ATOM 0 H MET A 12 -3.480 -20.614 1.869 1.00 0.00 H new ATOM 0 HA MET A 12 -3.556 -19.540 0.010 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.341 -20.758 -0.213 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.639 -19.790 -1.494 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.653 -21.342 -1.531 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.435 -22.334 -0.316 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.488 -24.422 -3.686 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.271 -23.206 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.886 -24.352 -2.013 1.00 0.00 H new ATOM 227 N LEU A 13 -5.041 -17.436 -0.478 1.00 0.00 N ATOM 228 CA LEU A 13 -5.586 -16.089 -0.524 1.00 0.00 C ATOM 229 C LEU A 13 -5.483 -15.528 -1.943 1.00 0.00 C ATOM 230 O LEU A 13 -4.641 -15.963 -2.724 1.00 0.00 O ATOM 231 CB LEU A 13 -4.939 -15.179 0.528 1.00 0.00 C ATOM 232 CG LEU A 13 -3.403 -15.188 0.582 1.00 0.00 C ATOM 233 CD1 LEU A 13 -2.834 -14.118 -0.344 1.00 0.00 C ATOM 234 CD2 LEU A 13 -2.966 -14.874 2.014 1.00 0.00 C ATOM 0 H LEU A 13 -4.571 -17.706 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.644 -16.130 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.269 -14.156 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.318 -15.466 1.509 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.038 -16.166 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.745 -14.136 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.155 -14.314 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.195 -13.138 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.877 -14.876 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.342 -13.893 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.366 -15.629 2.690 1.00 0.00 H new ATOM 246 N LYS A 14 -6.376 -14.587 -2.269 1.00 0.00 N ATOM 247 CA LYS A 14 -6.577 -14.032 -3.599 1.00 0.00 C ATOM 248 C LYS A 14 -5.880 -12.678 -3.710 1.00 0.00 C ATOM 249 O LYS A 14 -5.918 -11.891 -2.768 1.00 0.00 O ATOM 250 CB LYS A 14 -8.091 -13.911 -3.828 1.00 0.00 C ATOM 251 CG LYS A 14 -8.460 -13.199 -5.136 1.00 0.00 C ATOM 252 CD LYS A 14 -8.691 -11.688 -4.982 1.00 0.00 C ATOM 253 CE LYS A 14 -10.015 -11.373 -4.278 1.00 0.00 C ATOM 254 NZ LYS A 14 -10.340 -9.970 -4.458 1.00 0.00 N ATOM 0 H LYS A 14 -7.003 -14.178 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.145 -14.677 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.530 -14.909 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.534 -13.370 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.665 -13.362 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.363 -13.654 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.868 -11.252 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.684 -11.219 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.812 -11.996 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.938 -11.606 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.488 -9.526 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.557 -9.493 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.208 -9.885 -5.025 1.00 0.00 H new ATOM 267 N ARG A 15 -5.283 -12.390 -4.873 1.00 0.00 N ATOM 268 CA ARG A 15 -4.653 -11.119 -5.173 1.00 0.00 C ATOM 269 C ARG A 15 -5.707 -10.120 -5.646 1.00 0.00 C ATOM 270 O ARG A 15 -6.259 -10.260 -6.738 1.00 0.00 O ATOM 271 CB ARG A 15 -3.557 -11.334 -6.215 1.00 0.00 C ATOM 272 CG ARG A 15 -2.970 -10.013 -6.704 1.00 0.00 C ATOM 273 CD ARG A 15 -1.776 -10.262 -7.633 1.00 0.00 C ATOM 274 NE ARG A 15 -1.738 -9.273 -8.718 1.00 0.00 N ATOM 275 CZ ARG A 15 -2.521 -9.308 -9.813 1.00 0.00 C ATOM 276 NH1 ARG A 15 -3.367 -10.327 -10.030 1.00 0.00 N ATOM 277 NH2 ARG A 15 -2.456 -8.307 -10.701 1.00 0.00 N ATOM 0 H ARG A 15 -5.229 -13.057 -5.643 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.189 -10.705 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.764 -11.947 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.965 -11.886 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.735 -9.442 -7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.655 -9.412 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.849 -10.215 -7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.841 -11.266 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.071 -8.505 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.425 -11.093 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.952 -10.335 -10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.817 -7.527 -10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.045 -8.325 -11.533 1.00 0.00 H new ATOM 291 N MET A 16 -5.957 -9.105 -4.817 1.00 0.00 N ATOM 292 CA MET A 16 -6.822 -7.984 -5.125 1.00 0.00 C ATOM 293 C MET A 16 -5.965 -6.863 -5.718 1.00 0.00 C ATOM 294 O MET A 16 -5.275 -6.141 -4.999 1.00 0.00 O ATOM 295 CB MET A 16 -7.574 -7.540 -3.869 1.00 0.00 C ATOM 296 CG MET A 16 -6.733 -7.500 -2.594 1.00 0.00 C ATOM 297 SD MET A 16 -7.465 -6.630 -1.205 1.00 0.00 S ATOM 298 CE MET A 16 -7.567 -4.948 -1.876 1.00 0.00 C ATOM 0 H MET A 16 -5.546 -9.046 -3.885 1.00 0.00 H new ATOM 0 HA MET A 16 -7.577 -8.267 -5.858 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.989 -6.547 -4.044 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.416 -8.214 -3.710 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.523 -8.525 -2.287 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.775 -7.034 -2.827 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.286 -4.231 -1.105 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.889 -4.853 -2.724 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.587 -4.748 -2.203 1.00 0.00 H new ATOM 308 N TYR A 17 -6.019 -6.707 -7.042 1.00 0.00 N ATOM 309 CA TYR A 17 -5.403 -5.570 -7.705 1.00 0.00 C ATOM 310 C TYR A 17 -6.274 -4.354 -7.408 1.00 0.00 C ATOM 311 O TYR A 17 -7.484 -4.414 -7.604 1.00 0.00 O ATOM 312 CB TYR A 17 -5.283 -5.840 -9.209 1.00 0.00 C ATOM 313 CG TYR A 17 -4.654 -4.711 -10.006 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.257 -4.646 -10.150 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.466 -3.773 -10.672 1.00 0.00 C ATOM 316 CE1 TYR A 17 -2.673 -3.666 -10.971 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.885 -2.825 -11.533 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.488 -2.768 -11.680 1.00 0.00 C ATOM 319 OH TYR A 17 -2.922 -1.849 -12.516 1.00 0.00 O ATOM 0 H TYR A 17 -6.486 -7.359 -7.673 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.391 -5.392 -7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.692 -6.744 -9.356 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.277 -6.040 -9.609 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.629 -5.353 -9.627 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.535 -3.782 -10.522 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.598 -3.603 -11.057 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.513 -2.139 -12.082 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.625 -1.306 -12.930 1.00 0.00 H new ATOM 329 N ALA A 18 -5.678 -3.271 -6.904 1.00 0.00 N ATOM 330 CA ALA A 18 -6.396 -2.051 -6.576 1.00 0.00 C ATOM 331 C ALA A 18 -5.652 -0.851 -7.137 1.00 0.00 C ATOM 332 O ALA A 18 -4.609 -0.443 -6.631 1.00 0.00 O ATOM 333 CB ALA A 18 -6.645 -1.945 -5.078 1.00 0.00 C ATOM 0 H ALA A 18 -4.677 -3.222 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.381 -2.075 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.184 -1.022 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.238 -2.797 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.691 -1.940 -4.550 1.00 0.00 H new ATOM 339 N ARG A 19 -6.220 -0.311 -8.213 1.00 0.00 N ATOM 340 CA ARG A 19 -5.690 0.784 -8.990 1.00 0.00 C ATOM 341 C ARG A 19 -6.296 2.072 -8.438 1.00 0.00 C ATOM 342 O ARG A 19 -7.467 2.355 -8.687 1.00 0.00 O ATOM 343 CB ARG A 19 -6.062 0.554 -10.467 1.00 0.00 C ATOM 344 CG ARG A 19 -4.908 0.863 -11.417 1.00 0.00 C ATOM 345 CD ARG A 19 -4.329 2.259 -11.178 1.00 0.00 C ATOM 346 NE ARG A 19 -3.786 2.828 -12.414 1.00 0.00 N ATOM 347 CZ ARG A 19 -2.720 2.378 -13.098 1.00 0.00 C ATOM 348 NH1 ARG A 19 -2.012 1.327 -12.661 1.00 0.00 N ATOM 349 NH2 ARG A 19 -2.363 2.986 -14.238 1.00 0.00 N ATOM 0 H ARG A 19 -7.110 -0.651 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.604 0.853 -8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.372 -0.482 -10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.917 1.179 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.123 0.118 -11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.256 0.786 -12.447 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.105 2.915 -10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.544 2.205 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.264 3.646 -12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.280 0.856 -11.797 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.206 0.999 -13.193 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.899 3.784 -14.580 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.555 2.651 -14.763 1.00 0.00 H new ATOM 363 N VAL A 20 -5.513 2.830 -7.661 1.00 0.00 N ATOM 364 CA VAL A 20 -5.989 4.034 -6.995 1.00 0.00 C ATOM 365 C VAL A 20 -5.478 5.260 -7.756 1.00 0.00 C ATOM 366 O VAL A 20 -4.274 5.504 -7.825 1.00 0.00 O ATOM 367 CB VAL A 20 -5.600 4.025 -5.507 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.322 5.159 -4.766 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.973 2.681 -4.862 1.00 0.00 C ATOM 0 H VAL A 20 -4.531 2.620 -7.480 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.078 4.072 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.522 4.170 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.040 5.144 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.040 6.117 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.400 5.023 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.691 2.692 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.048 2.522 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.445 1.874 -5.371 1.00 0.00 H new ATOM 379 N TYR A 21 -6.413 6.008 -8.349 1.00 0.00 N ATOM 380 CA TYR A 21 -6.155 7.189 -9.160 1.00 0.00 C ATOM 381 C TYR A 21 -6.402 8.452 -8.336 1.00 0.00 C ATOM 382 O TYR A 21 -7.234 8.444 -7.431 1.00 0.00 O ATOM 383 CB TYR A 21 -7.100 7.178 -10.367 1.00 0.00 C ATOM 384 CG TYR A 21 -6.852 6.066 -11.367 1.00 0.00 C ATOM 385 CD1 TYR A 21 -7.391 4.785 -11.146 1.00 0.00 C ATOM 386 CD2 TYR A 21 -6.192 6.342 -12.580 1.00 0.00 C ATOM 387 CE1 TYR A 21 -7.344 3.814 -12.159 1.00 0.00 C ATOM 388 CE2 TYR A 21 -6.105 5.354 -13.575 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.692 4.093 -13.370 1.00 0.00 C ATOM 390 OH TYR A 21 -6.616 3.134 -14.338 1.00 0.00 O ATOM 0 H TYR A 21 -7.407 5.794 -8.271 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.118 7.180 -9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.125 7.099 -10.006 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.017 8.135 -10.883 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.842 4.548 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.752 7.314 -12.746 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.810 2.852 -12.006 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.586 5.563 -14.499 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.133 3.489 -15.113 1.00 0.00 H new ATOM 400 N GLY A 22 -5.720 9.545 -8.699 1.00 0.00 N ATOM 401 CA GLY A 22 -5.969 10.882 -8.181 1.00 0.00 C ATOM 402 C GLY A 22 -4.749 11.443 -7.464 1.00 0.00 C ATOM 403 O GLY A 22 -3.638 10.956 -7.650 1.00 0.00 O ATOM 0 H GLY A 22 -4.961 9.516 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.246 11.544 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.815 10.855 -7.494 1.00 0.00 H new ATOM 407 N LEU A 23 -4.962 12.465 -6.627 1.00 0.00 N ATOM 408 CA LEU A 23 -3.883 13.172 -5.942 1.00 0.00 C ATOM 409 C LEU A 23 -3.443 12.432 -4.668 1.00 0.00 C ATOM 410 O LEU A 23 -2.928 13.047 -3.738 1.00 0.00 O ATOM 411 CB LEU A 23 -4.327 14.618 -5.673 1.00 0.00 C ATOM 412 CG LEU A 23 -3.169 15.620 -5.500 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.503 15.960 -6.841 1.00 0.00 C ATOM 414 CD2 LEU A 23 -3.704 16.914 -4.878 1.00 0.00 C ATOM 0 H LEU A 23 -5.892 12.823 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.999 13.201 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.958 14.950 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.942 14.634 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.425 15.156 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.692 16.669 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.104 15.051 -7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.240 16.402 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.886 17.624 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.463 17.345 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.144 16.695 -3.905 1.00 0.00 H new ATOM 426 N VAL A 24 -3.639 11.107 -4.624 1.00 0.00 N ATOM 427 CA VAL A 24 -3.295 10.261 -3.483 1.00 0.00 C ATOM 428 C VAL A 24 -1.781 10.102 -3.286 1.00 0.00 C ATOM 429 O VAL A 24 -1.346 9.619 -2.241 1.00 0.00 O ATOM 430 CB VAL A 24 -4.030 8.915 -3.572 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.551 9.120 -3.568 1.00 0.00 C ATOM 432 CG2 VAL A 24 -3.608 8.121 -4.811 1.00 0.00 C ATOM 0 H VAL A 24 -4.050 10.587 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.640 10.769 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.751 8.337 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.049 8.152 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.848 9.621 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.838 9.733 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.149 7.175 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.837 8.697 -5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.537 7.925 -4.770 1.00 0.00 H new ATOM 442 N GLN A 25 -0.984 10.544 -4.264 1.00 0.00 N ATOM 443 CA GLN A 25 0.453 10.729 -4.139 1.00 0.00 C ATOM 444 C GLN A 25 0.759 11.697 -2.992 1.00 0.00 C ATOM 445 O GLN A 25 -0.050 12.565 -2.666 1.00 0.00 O ATOM 446 CB GLN A 25 1.015 11.258 -5.465 1.00 0.00 C ATOM 447 CG GLN A 25 1.511 10.128 -6.375 1.00 0.00 C ATOM 448 CD GLN A 25 0.444 9.145 -6.857 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.751 9.386 -6.732 1.00 0.00 O ATOM 450 NE2 GLN A 25 0.885 8.027 -7.434 1.00 0.00 N ATOM 0 H GLN A 25 -1.338 10.788 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 25 0.927 9.774 -3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.244 11.828 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.836 11.945 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.989 10.573 -7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.279 9.568 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.887 7.859 -7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.220 7.339 -7.788 1.00 0.00 H new ATOM 459 N GLY A 26 1.936 11.541 -2.379 1.00 0.00 N ATOM 460 CA GLY A 26 2.401 12.403 -1.305 1.00 0.00 C ATOM 461 C GLY A 26 1.820 11.980 0.043 1.00 0.00 C ATOM 462 O GLY A 26 2.575 11.617 0.945 1.00 0.00 O ATOM 0 H GLY A 26 2.595 10.802 -2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.490 12.373 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.119 13.434 -1.517 1.00 0.00 H new ATOM 466 N VAL A 27 0.489 12.037 0.188 1.00 0.00 N ATOM 467 CA VAL A 27 -0.181 11.735 1.451 1.00 0.00 C ATOM 468 C VAL A 27 -0.030 10.254 1.820 1.00 0.00 C ATOM 469 O VAL A 27 0.330 9.425 0.982 1.00 0.00 O ATOM 470 CB VAL A 27 -1.658 12.176 1.431 1.00 0.00 C ATOM 471 CG1 VAL A 27 -1.797 13.667 1.090 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.533 11.362 0.471 1.00 0.00 C ATOM 0 H VAL A 27 -0.148 12.293 -0.567 1.00 0.00 H new ATOM 0 HA VAL A 27 0.311 12.315 2.232 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.018 11.990 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.852 13.942 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.270 14.262 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.368 13.857 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.558 11.730 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.151 11.464 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.513 10.312 0.762 1.00 0.00 H new ATOM 482 N GLY A 28 -0.326 9.920 3.083 1.00 0.00 N ATOM 483 CA GLY A 28 -0.188 8.573 3.622 1.00 0.00 C ATOM 484 C GLY A 28 -1.365 7.669 3.246 1.00 0.00 C ATOM 485 O GLY A 28 -1.900 6.966 4.100 1.00 0.00 O ATOM 0 H GLY A 28 -0.673 10.594 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.738 8.131 3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.107 8.626 4.708 1.00 0.00 H new ATOM 489 N PHE A 29 -1.739 7.660 1.963 1.00 0.00 N ATOM 490 CA PHE A 29 -2.737 6.764 1.400 1.00 0.00 C ATOM 491 C PHE A 29 -2.232 5.326 1.513 1.00 0.00 C ATOM 492 O PHE A 29 -2.852 4.492 2.171 1.00 0.00 O ATOM 493 CB PHE A 29 -3.010 7.164 -0.063 1.00 0.00 C ATOM 494 CG PHE A 29 -3.395 6.018 -0.984 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.534 5.238 -0.701 1.00 0.00 C ATOM 496 CD2 PHE A 29 -2.481 5.584 -1.964 1.00 0.00 C ATOM 497 CE1 PHE A 29 -4.742 4.025 -1.376 1.00 0.00 C ATOM 498 CE2 PHE A 29 -2.668 4.347 -2.602 1.00 0.00 C ATOM 499 CZ PHE A 29 -3.789 3.560 -2.295 1.00 0.00 C ATOM 0 H PHE A 29 -1.341 8.297 1.273 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.677 6.837 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.809 7.905 -0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.119 7.648 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.248 5.574 0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.636 6.203 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.636 3.449 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.949 4.001 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.918 2.597 -2.766 1.00 0.00 H new ATOM 509 N ARG A 30 -1.095 5.047 0.871 1.00 0.00 N ATOM 510 CA ARG A 30 -0.482 3.729 0.852 1.00 0.00 C ATOM 511 C ARG A 30 -0.092 3.256 2.254 1.00 0.00 C ATOM 512 O ARG A 30 -0.036 2.051 2.493 1.00 0.00 O ATOM 513 CB ARG A 30 0.710 3.738 -0.107 1.00 0.00 C ATOM 514 CG ARG A 30 1.874 4.629 0.346 1.00 0.00 C ATOM 515 CD ARG A 30 2.813 4.814 -0.849 1.00 0.00 C ATOM 516 NE ARG A 30 4.156 5.259 -0.465 1.00 0.00 N ATOM 517 CZ ARG A 30 4.518 6.502 -0.112 1.00 0.00 C ATOM 518 NH1 ARG A 30 3.610 7.476 0.047 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.818 6.757 0.074 1.00 0.00 N ATOM 0 H ARG A 30 -0.571 5.745 0.344 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.214 3.007 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.073 2.717 -0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.371 4.073 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.504 5.593 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.404 4.170 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.891 3.871 -1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.379 5.541 -1.535 1.00 0.00 H new ATOM 0 HE ARG A 30 4.891 4.551 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.620 7.279 -0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.909 8.413 0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.506 6.015 -0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.121 7.693 0.343 1.00 0.00 H new ATOM 533 N LYS A 31 0.149 4.202 3.172 1.00 0.00 N ATOM 534 CA LYS A 31 0.411 3.934 4.573 1.00 0.00 C ATOM 535 C LYS A 31 -0.884 3.465 5.256 1.00 0.00 C ATOM 536 O LYS A 31 -0.878 2.447 5.940 1.00 0.00 O ATOM 537 CB LYS A 31 1.001 5.187 5.241 1.00 0.00 C ATOM 538 CG LYS A 31 2.047 4.875 6.319 1.00 0.00 C ATOM 539 CD LYS A 31 1.519 3.983 7.452 1.00 0.00 C ATOM 540 CE LYS A 31 2.548 3.838 8.578 1.00 0.00 C ATOM 541 NZ LYS A 31 2.676 5.078 9.320 1.00 0.00 N ATOM 0 H LYS A 31 0.165 5.196 2.944 1.00 0.00 H new ATOM 0 HA LYS A 31 1.146 3.135 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.457 5.816 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.192 5.765 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.902 4.386 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.408 5.811 6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.598 4.408 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.270 2.998 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.247 3.035 9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.515 3.557 8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.186 4.900 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.203 5.770 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.730 5.454 9.534 1.00 0.00 H new ATOM 554 N PHE A 32 -2.000 4.184 5.065 1.00 0.00 N ATOM 555 CA PHE A 32 -3.297 3.825 5.636 1.00 0.00 C ATOM 556 C PHE A 32 -3.722 2.416 5.203 1.00 0.00 C ATOM 557 O PHE A 32 -4.126 1.598 6.030 1.00 0.00 O ATOM 558 CB PHE A 32 -4.339 4.867 5.203 1.00 0.00 C ATOM 559 CG PHE A 32 -5.731 4.784 5.813 1.00 0.00 C ATOM 560 CD1 PHE A 32 -6.030 3.949 6.912 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.738 5.619 5.292 1.00 0.00 C ATOM 562 CE1 PHE A 32 -7.323 3.932 7.458 1.00 0.00 C ATOM 563 CE2 PHE A 32 -8.019 5.631 5.866 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.315 4.786 6.949 1.00 0.00 C ATOM 0 H PHE A 32 -2.023 5.036 4.505 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.219 3.819 6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.936 5.855 5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.445 4.803 4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.260 3.320 7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.523 6.254 4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.556 3.261 8.271 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.779 6.291 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.302 4.793 7.388 1.00 0.00 H new ATOM 574 N VAL A 33 -3.593 2.128 3.902 1.00 0.00 N ATOM 575 CA VAL A 33 -3.789 0.785 3.364 1.00 0.00 C ATOM 576 C VAL A 33 -2.878 -0.217 4.072 1.00 0.00 C ATOM 577 O VAL A 33 -3.300 -1.340 4.341 1.00 0.00 O ATOM 578 CB VAL A 33 -3.584 0.776 1.838 1.00 0.00 C ATOM 579 CG1 VAL A 33 -3.682 -0.644 1.262 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.641 1.646 1.148 1.00 0.00 C ATOM 0 H VAL A 33 -3.350 2.823 3.196 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.817 0.477 3.554 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.586 1.172 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.532 -0.610 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.917 -1.274 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.667 -1.057 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.480 1.628 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.635 1.259 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.561 2.671 1.509 1.00 0.00 H new ATOM 590 N GLN A 34 -1.655 0.205 4.410 1.00 0.00 N ATOM 591 CA GLN A 34 -0.701 -0.614 5.137 1.00 0.00 C ATOM 592 C GLN A 34 -1.235 -0.976 6.517 1.00 0.00 C ATOM 593 O GLN A 34 -1.341 -2.160 6.795 1.00 0.00 O ATOM 594 CB GLN A 34 0.683 0.060 5.192 1.00 0.00 C ATOM 595 CG GLN A 34 1.822 -0.881 4.793 1.00 0.00 C ATOM 596 CD GLN A 34 1.571 -1.582 3.458 1.00 0.00 C ATOM 597 OE1 GLN A 34 0.980 -0.892 2.480 1.00 0.00 O flip ATOM 598 NE2 GLN A 34 1.875 -2.760 3.324 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.304 1.135 4.181 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.567 -1.551 4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.686 0.926 4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.861 0.430 6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.751 -0.314 4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.957 -1.631 5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.326 -3.261 4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.678 -3.241 2.446 1.00 0.00 H new ATOM 607 N ILE A 35 -1.582 -0.002 7.369 1.00 0.00 N ATOM 608 CA ILE A 35 -2.050 -0.267 8.731 1.00 0.00 C ATOM 609 C ILE A 35 -3.057 -1.413 8.767 1.00 0.00 C ATOM 610 O ILE A 35 -2.843 -2.385 9.486 1.00 0.00 O ATOM 611 CB ILE A 35 -2.680 0.995 9.357 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.715 2.190 9.458 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.287 0.675 10.736 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.474 1.927 10.312 1.00 0.00 C ATOM 0 H ILE A 35 -1.545 0.989 7.132 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.177 -0.556 9.315 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.471 1.302 8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.398 2.471 8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.253 3.042 9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.726 1.579 11.159 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.060 -0.086 10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.506 0.305 11.400 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.151 2.820 10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.778 1.677 11.328 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.091 1.097 9.887 1.00 0.00 H new ATOM 626 N HIS A 36 -4.141 -1.302 7.996 1.00 0.00 N ATOM 627 CA HIS A 36 -5.204 -2.291 8.016 1.00 0.00 C ATOM 628 C HIS A 36 -4.714 -3.611 7.423 1.00 0.00 C ATOM 629 O HIS A 36 -4.913 -4.658 8.031 1.00 0.00 O ATOM 630 CB HIS A 36 -6.453 -1.745 7.321 1.00 0.00 C ATOM 631 CG HIS A 36 -7.257 -0.832 8.216 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.566 -1.151 8.576 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.907 0.347 8.831 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.957 -0.161 9.382 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.996 0.760 9.569 1.00 0.00 N ATOM 0 H HIS A 36 -4.300 -0.530 7.349 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.489 -2.500 9.047 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.158 -1.202 6.423 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.079 -2.577 6.999 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.957 0.854 8.751 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.937 -0.106 9.834 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.060 1.600 10.144 1.00 0.00 H new ATOM 643 N ALA A 37 -4.050 -3.566 6.263 1.00 0.00 N ATOM 644 CA ALA A 37 -3.485 -4.750 5.629 1.00 0.00 C ATOM 645 C ALA A 37 -2.623 -5.579 6.585 1.00 0.00 C ATOM 646 O ALA A 37 -2.809 -6.786 6.721 1.00 0.00 O ATOM 647 CB ALA A 37 -2.653 -4.310 4.421 1.00 0.00 C ATOM 0 H ALA A 37 -3.892 -2.704 5.741 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.310 -5.391 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.224 -5.187 3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.291 -3.780 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.852 -3.650 4.752 1.00 0.00 H new ATOM 653 N ILE A 38 -1.688 -4.908 7.252 1.00 0.00 N ATOM 654 CA ILE A 38 -0.783 -5.473 8.234 1.00 0.00 C ATOM 655 C ILE A 38 -1.599 -6.026 9.404 1.00 0.00 C ATOM 656 O ILE A 38 -1.384 -7.168 9.804 1.00 0.00 O ATOM 657 CB ILE A 38 0.269 -4.406 8.608 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.483 -4.486 7.663 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.749 -4.485 10.062 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.138 -4.371 6.172 1.00 0.00 C ATOM 0 H ILE A 38 -1.538 -3.909 7.112 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.221 -6.322 7.845 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.238 -3.447 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.183 -3.692 7.923 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.997 -5.432 7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.486 -3.703 10.245 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.099 -4.349 10.733 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.202 -5.460 10.243 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.051 -4.437 5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.464 -5.180 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.653 -3.413 5.984 1.00 0.00 H new ATOM 672 N ARG A 39 -2.558 -5.244 9.917 1.00 0.00 N ATOM 673 CA ARG A 39 -3.395 -5.640 11.040 1.00 0.00 C ATOM 674 C ARG A 39 -4.107 -6.965 10.758 1.00 0.00 C ATOM 675 O ARG A 39 -4.236 -7.810 11.641 1.00 0.00 O ATOM 676 CB ARG A 39 -4.377 -4.497 11.337 1.00 0.00 C ATOM 677 CG ARG A 39 -5.045 -4.614 12.707 1.00 0.00 C ATOM 678 CD ARG A 39 -6.413 -5.294 12.635 1.00 0.00 C ATOM 679 NE ARG A 39 -6.939 -5.538 13.985 1.00 0.00 N ATOM 680 CZ ARG A 39 -7.990 -6.323 14.278 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.691 -6.923 13.307 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.338 -6.507 15.559 1.00 0.00 N ATOM 0 H ARG A 39 -2.770 -4.314 9.557 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.781 -5.814 11.924 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.846 -3.547 11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.147 -4.479 10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.397 -5.179 13.377 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.159 -3.619 13.138 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.108 -4.668 12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.329 -6.237 12.095 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.469 -5.074 14.762 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.429 -6.787 12.331 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.486 -7.516 13.544 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.807 -6.053 16.302 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.134 -7.101 15.791 1.00 0.00 H new ATOM 696 N LEU A 40 -4.562 -7.122 9.511 1.00 0.00 N ATOM 697 CA LEU A 40 -5.374 -8.235 9.041 1.00 0.00 C ATOM 698 C LEU A 40 -4.547 -9.364 8.410 1.00 0.00 C ATOM 699 O LEU A 40 -5.125 -10.367 7.992 1.00 0.00 O ATOM 700 CB LEU A 40 -6.401 -7.686 8.049 1.00 0.00 C ATOM 701 CG LEU A 40 -7.331 -6.649 8.703 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.048 -5.893 7.590 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.348 -7.300 9.647 1.00 0.00 C ATOM 0 H LEU A 40 -4.363 -6.445 8.775 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.870 -8.687 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.883 -7.229 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.996 -8.507 7.650 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.734 -5.969 9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.715 -5.150 8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.314 -5.394 6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.628 -6.594 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.983 -6.530 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.965 -8.004 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.821 -7.830 10.440 1.00 0.00 H new ATOM 715 N GLY A 41 -3.215 -9.230 8.337 1.00 0.00 N ATOM 716 CA GLY A 41 -2.338 -10.253 7.781 1.00 0.00 C ATOM 717 C GLY A 41 -2.532 -10.406 6.271 1.00 0.00 C ATOM 718 O GLY A 41 -2.917 -11.472 5.796 1.00 0.00 O ATOM 0 H GLY A 41 -2.720 -8.401 8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.300 -9.995 7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.534 -11.206 8.271 1.00 0.00 H new ATOM 722 N ILE A 42 -2.249 -9.329 5.530 1.00 0.00 N ATOM 723 CA ILE A 42 -2.354 -9.228 4.081 1.00 0.00 C ATOM 724 C ILE A 42 -0.948 -9.012 3.525 1.00 0.00 C ATOM 725 O ILE A 42 -0.144 -8.294 4.119 1.00 0.00 O ATOM 726 CB ILE A 42 -3.287 -8.054 3.733 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.698 -8.242 4.303 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.369 -7.668 2.251 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.473 -9.441 3.756 1.00 0.00 C ATOM 0 H ILE A 42 -1.923 -8.460 5.954 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.773 -10.133 3.642 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.798 -7.212 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.623 -8.343 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.274 -7.338 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.056 -6.830 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.380 -7.380 1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.730 -8.519 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.457 -9.482 4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.588 -9.338 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.927 -10.358 3.977 1.00 0.00 H new ATOM 741 N LYS A 43 -0.670 -9.638 2.380 1.00 0.00 N ATOM 742 CA LYS A 43 0.593 -9.530 1.657 1.00 0.00 C ATOM 743 C LYS A 43 0.383 -8.618 0.448 1.00 0.00 C ATOM 744 O LYS A 43 -0.758 -8.330 0.095 1.00 0.00 O ATOM 745 CB LYS A 43 1.064 -10.914 1.204 1.00 0.00 C ATOM 746 CG LYS A 43 1.120 -11.911 2.370 1.00 0.00 C ATOM 747 CD LYS A 43 1.563 -13.296 1.885 1.00 0.00 C ATOM 748 CE LYS A 43 1.742 -14.281 3.046 1.00 0.00 C ATOM 749 NZ LYS A 43 0.472 -14.557 3.693 1.00 0.00 N ATOM 0 H LYS A 43 -1.340 -10.253 1.918 1.00 0.00 H new ATOM 0 HA LYS A 43 1.359 -9.109 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.391 -11.293 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.052 -10.831 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.812 -11.549 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.139 -11.982 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.824 -13.689 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.502 -13.206 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.176 -15.210 2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.443 -13.869 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.512 -14.244 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.288 -14.047 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.281 -15.579 3.660 1.00 0.00 H new ATOM 762 N GLY A 44 1.463 -8.180 -0.207 1.00 0.00 N ATOM 763 CA GLY A 44 1.353 -7.409 -1.439 1.00 0.00 C ATOM 764 C GLY A 44 2.503 -6.431 -1.637 1.00 0.00 C ATOM 765 O GLY A 44 3.630 -6.699 -1.230 1.00 0.00 O ATOM 0 H GLY A 44 2.421 -8.349 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.316 -8.093 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.413 -6.858 -1.433 1.00 0.00 H new ATOM 769 N TYR A 45 2.195 -5.288 -2.265 1.00 0.00 N ATOM 770 CA TYR A 45 3.092 -4.150 -2.409 1.00 0.00 C ATOM 771 C TYR A 45 2.314 -2.959 -2.976 1.00 0.00 C ATOM 772 O TYR A 45 1.461 -3.134 -3.843 1.00 0.00 O ATOM 773 CB TYR A 45 4.268 -4.491 -3.322 1.00 0.00 C ATOM 774 CG TYR A 45 5.447 -3.540 -3.274 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.280 -3.527 -2.140 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.854 -2.873 -4.441 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.492 -2.817 -2.159 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.079 -2.188 -4.470 1.00 0.00 C ATOM 779 CZ TYR A 45 7.903 -2.166 -3.331 1.00 0.00 C ATOM 780 OH TYR A 45 9.110 -1.531 -3.361 1.00 0.00 O ATOM 0 H TYR A 45 1.285 -5.132 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 45 3.492 -3.894 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.622 -5.490 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.904 -4.535 -4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.986 -4.065 -1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.223 -2.887 -5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.107 -2.773 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.389 -1.677 -5.369 1.00 0.00 H new ATOM 0 HH TYR A 45 9.160 -0.962 -4.157 1.00 0.00 H new ATOM 790 N ALA A 46 2.600 -1.760 -2.459 1.00 0.00 N ATOM 791 CA ALA A 46 1.888 -0.527 -2.788 1.00 0.00 C ATOM 792 C ALA A 46 2.822 0.376 -3.574 1.00 0.00 C ATOM 793 O ALA A 46 3.554 1.175 -2.991 1.00 0.00 O ATOM 794 CB ALA A 46 1.392 0.166 -1.514 1.00 0.00 C ATOM 0 H ALA A 46 3.352 -1.619 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 46 1.011 -0.756 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.864 1.082 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.716 -0.500 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.243 0.409 -0.877 1.00 0.00 H new ATOM 800 N LYS A 47 2.820 0.220 -4.897 1.00 0.00 N ATOM 801 CA LYS A 47 3.864 0.753 -5.746 1.00 0.00 C ATOM 802 C LYS A 47 3.440 2.137 -6.242 1.00 0.00 C ATOM 803 O LYS A 47 2.986 2.293 -7.375 1.00 0.00 O ATOM 804 CB LYS A 47 4.104 -0.260 -6.863 1.00 0.00 C ATOM 805 CG LYS A 47 5.343 0.056 -7.708 1.00 0.00 C ATOM 806 CD LYS A 47 5.461 -0.855 -8.935 1.00 0.00 C ATOM 807 CE LYS A 47 5.622 -2.334 -8.557 1.00 0.00 C ATOM 808 NZ LYS A 47 5.872 -3.126 -9.746 1.00 0.00 N ATOM 0 H LYS A 47 2.090 -0.281 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 47 4.808 0.896 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.213 -1.253 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.228 -0.291 -7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.302 1.096 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.236 -0.051 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.574 -0.737 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.315 -0.542 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.446 -2.450 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.722 -2.690 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.980 -4.126 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.073 -3.026 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.743 -2.794 -10.207 1.00 0.00 H new ATOM 821 N ASN A 48 3.574 3.136 -5.364 1.00 0.00 N ATOM 822 CA ASN A 48 3.250 4.532 -5.612 1.00 0.00 C ATOM 823 C ASN A 48 4.276 5.184 -6.538 1.00 0.00 C ATOM 824 O ASN A 48 5.075 6.012 -6.108 1.00 0.00 O ATOM 825 CB ASN A 48 3.117 5.247 -4.260 1.00 0.00 C ATOM 826 CG ASN A 48 2.576 6.674 -4.378 1.00 0.00 C ATOM 827 OD1 ASN A 48 3.340 7.631 -4.460 1.00 0.00 O ATOM 828 ND2 ASN A 48 1.251 6.825 -4.350 1.00 0.00 N ATOM 0 H ASN A 48 3.928 2.979 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 48 2.298 4.612 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.456 4.668 -3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.093 5.275 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.843 7.759 -4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.646 6.007 -4.281 1.00 0.00 H new ATOM 835 N LEU A 49 4.208 4.841 -7.830 1.00 0.00 N ATOM 836 CA LEU A 49 4.874 5.567 -8.890 1.00 0.00 C ATOM 837 C LEU A 49 4.301 6.986 -8.850 1.00 0.00 C ATOM 838 O LEU A 49 3.079 7.123 -8.890 1.00 0.00 O ATOM 839 CB LEU A 49 4.618 4.933 -10.272 1.00 0.00 C ATOM 840 CG LEU A 49 4.266 3.436 -10.296 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.738 3.259 -10.294 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.826 2.773 -11.559 1.00 0.00 C ATOM 0 H LEU A 49 3.677 4.036 -8.162 1.00 0.00 H new ATOM 0 HA LEU A 49 5.954 5.552 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.806 5.480 -10.751 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.508 5.082 -10.884 1.00 0.00 H new ATOM 0 HG LEU A 49 4.703 2.970 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.495 2.197 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.320 3.712 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.315 3.742 -11.174 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.567 1.714 -11.559 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.399 3.251 -12.441 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.910 2.882 -11.577 1.00 0.00 H new ATOM 854 N PRO A 50 5.124 8.034 -8.717 1.00 0.00 N ATOM 855 CA PRO A 50 4.645 9.388 -8.493 1.00 0.00 C ATOM 856 C PRO A 50 4.103 9.994 -9.792 1.00 0.00 C ATOM 857 O PRO A 50 4.763 10.811 -10.432 1.00 0.00 O ATOM 858 CB PRO A 50 5.847 10.136 -7.914 1.00 0.00 C ATOM 859 CG PRO A 50 7.041 9.420 -8.548 1.00 0.00 C ATOM 860 CD PRO A 50 6.568 7.967 -8.606 1.00 0.00 C ATOM 0 HA PRO A 50 3.802 9.440 -7.804 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.827 11.194 -8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.873 10.076 -6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.269 9.812 -9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.944 9.528 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.003 7.446 -9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.868 7.421 -7.712 1.00 0.00 H new ATOM 868 N ASP A 51 2.890 9.578 -10.177 1.00 0.00 N ATOM 869 CA ASP A 51 2.235 9.971 -11.420 1.00 0.00 C ATOM 870 C ASP A 51 0.707 9.960 -11.292 1.00 0.00 C ATOM 871 O ASP A 51 0.010 9.760 -12.287 1.00 0.00 O ATOM 872 CB ASP A 51 2.718 9.049 -12.554 1.00 0.00 C ATOM 873 CG ASP A 51 2.361 7.570 -12.362 1.00 0.00 C ATOM 874 OD1 ASP A 51 1.596 7.220 -11.465 1.00 0.00 O ATOM 875 OD2 ASP A 51 2.950 6.709 -13.239 1.00 0.00 O ATOM 0 H ASP A 51 2.326 8.942 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 51 2.510 11.000 -11.654 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.289 9.395 -13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.800 9.140 -12.644 1.00 0.00 H new ATOM 881 N GLY A 52 0.173 10.150 -10.078 1.00 0.00 N ATOM 882 CA GLY A 52 -1.261 10.136 -9.816 1.00 0.00 C ATOM 883 C GLY A 52 -1.818 8.712 -9.695 1.00 0.00 C ATOM 884 O GLY A 52 -2.563 8.408 -8.766 1.00 0.00 O ATOM 0 H GLY A 52 0.736 10.319 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.465 10.683 -8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.780 10.659 -10.619 1.00 0.00 H new ATOM 888 N SER A 53 -1.478 7.846 -10.655 1.00 0.00 N ATOM 889 CA SER A 53 -1.991 6.492 -10.769 1.00 0.00 C ATOM 890 C SER A 53 -1.088 5.502 -10.027 1.00 0.00 C ATOM 891 O SER A 53 -0.157 4.954 -10.614 1.00 0.00 O ATOM 892 CB SER A 53 -2.114 6.156 -12.256 1.00 0.00 C ATOM 893 OG SER A 53 -0.893 6.390 -12.930 1.00 0.00 O ATOM 0 H SER A 53 -0.816 8.083 -11.394 1.00 0.00 H new ATOM 0 HA SER A 53 -2.973 6.417 -10.303 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.405 5.112 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.903 6.759 -12.705 1.00 0.00 H new ATOM 0 HG SER A 53 -0.154 6.014 -12.408 1.00 0.00 H new ATOM 899 N VAL A 54 -1.390 5.251 -8.747 1.00 0.00 N ATOM 900 CA VAL A 54 -0.687 4.277 -7.915 1.00 0.00 C ATOM 901 C VAL A 54 -1.422 2.938 -7.948 1.00 0.00 C ATOM 902 O VAL A 54 -2.612 2.873 -7.644 1.00 0.00 O ATOM 903 CB VAL A 54 -0.486 4.792 -6.477 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.680 5.560 -5.909 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.133 3.640 -5.519 1.00 0.00 C ATOM 0 H VAL A 54 -2.144 5.730 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 54 0.311 4.128 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 54 0.342 5.497 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.453 5.886 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.883 6.430 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.556 4.912 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.003 4.033 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.941 2.908 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.789 3.162 -5.849 1.00 0.00 H new ATOM 915 N GLU A 55 -0.695 1.867 -8.290 1.00 0.00 N ATOM 916 CA GLU A 55 -1.218 0.513 -8.276 1.00 0.00 C ATOM 917 C GLU A 55 -0.850 -0.162 -6.957 1.00 0.00 C ATOM 918 O GLU A 55 0.251 0.037 -6.442 1.00 0.00 O ATOM 919 CB GLU A 55 -0.701 -0.262 -9.499 1.00 0.00 C ATOM 920 CG GLU A 55 0.778 -0.677 -9.441 1.00 0.00 C ATOM 921 CD GLU A 55 0.962 -2.099 -8.904 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.660 -3.049 -9.623 1.00 0.00 O ATOM 923 OE2 GLU A 55 1.468 -2.227 -7.646 1.00 0.00 O ATOM 0 H GLU A 55 0.280 1.926 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.306 0.529 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.308 -1.159 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.854 0.351 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.212 -0.609 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.325 0.022 -8.808 1.00 0.00 H new ATOM 931 N VAL A 56 -1.777 -0.956 -6.419 1.00 0.00 N ATOM 932 CA VAL A 56 -1.561 -1.778 -5.237 1.00 0.00 C ATOM 933 C VAL A 56 -1.876 -3.226 -5.609 1.00 0.00 C ATOM 934 O VAL A 56 -2.867 -3.475 -6.293 1.00 0.00 O ATOM 935 CB VAL A 56 -2.443 -1.276 -4.082 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.154 -2.058 -2.796 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.207 0.217 -3.808 1.00 0.00 C ATOM 0 H VAL A 56 -2.717 -1.044 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.527 -1.715 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.479 -1.429 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.790 -1.685 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.359 -3.116 -2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.107 -1.930 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.845 0.541 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.162 0.377 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.446 0.793 -4.702 1.00 0.00 H new ATOM 947 N VAL A 57 -1.041 -4.173 -5.167 1.00 0.00 N ATOM 948 CA VAL A 57 -1.252 -5.603 -5.370 1.00 0.00 C ATOM 949 C VAL A 57 -1.385 -6.294 -4.015 1.00 0.00 C ATOM 950 O VAL A 57 -0.612 -7.187 -3.681 1.00 0.00 O ATOM 951 CB VAL A 57 -0.150 -6.201 -6.267 1.00 0.00 C ATOM 952 CG1 VAL A 57 -0.394 -5.787 -7.721 1.00 0.00 C ATOM 953 CG2 VAL A 57 1.269 -5.790 -5.852 1.00 0.00 C ATOM 0 H VAL A 57 -0.188 -3.960 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.185 -5.771 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.209 -7.283 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.385 -6.210 -8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.367 -6.156 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.374 -4.700 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.992 -6.247 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.363 -4.705 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.461 -6.125 -4.833 1.00 0.00 H new ATOM 963 N ALA A 58 -2.407 -5.884 -3.257 1.00 0.00 N ATOM 964 CA ALA A 58 -2.769 -6.465 -1.971 1.00 0.00 C ATOM 965 C ALA A 58 -3.339 -7.870 -2.169 1.00 0.00 C ATOM 966 O ALA A 58 -3.801 -8.186 -3.264 1.00 0.00 O ATOM 967 CB ALA A 58 -3.808 -5.566 -1.299 1.00 0.00 C ATOM 0 H ALA A 58 -3.019 -5.117 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.884 -6.540 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.087 -5.991 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.387 -4.572 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.692 -5.494 -1.933 1.00 0.00 H new ATOM 973 N GLU A 59 -3.268 -8.720 -1.133 1.00 0.00 N ATOM 974 CA GLU A 59 -3.612 -10.128 -1.279 1.00 0.00 C ATOM 975 C GLU A 59 -4.319 -10.652 -0.024 1.00 0.00 C ATOM 976 O GLU A 59 -3.675 -10.753 1.020 1.00 0.00 O ATOM 977 CB GLU A 59 -2.336 -10.943 -1.550 1.00 0.00 C ATOM 978 CG GLU A 59 -1.470 -10.379 -2.680 1.00 0.00 C ATOM 979 CD GLU A 59 -0.319 -11.315 -3.023 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.625 -11.418 -2.242 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.422 -11.983 -4.209 1.00 0.00 O ATOM 0 H GLU A 59 -2.976 -8.451 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.297 -10.235 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.743 -10.985 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.616 -11.967 -1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.085 -10.218 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.074 -9.407 -2.386 1.00 0.00 H new ATOM 989 N GLY A 60 -5.612 -10.994 -0.112 1.00 0.00 N ATOM 990 CA GLY A 60 -6.422 -11.354 1.049 1.00 0.00 C ATOM 991 C GLY A 60 -7.308 -12.580 0.833 1.00 0.00 C ATOM 992 O GLY A 60 -7.637 -12.936 -0.295 1.00 0.00 O ATOM 0 H GLY A 60 -6.122 -11.027 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.762 -11.540 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.052 -10.506 1.317 1.00 0.00 H new ATOM 996 N TYR A 61 -7.674 -13.219 1.952 1.00 0.00 N ATOM 997 CA TYR A 61 -8.465 -14.437 2.022 1.00 0.00 C ATOM 998 C TYR A 61 -9.927 -14.144 1.655 1.00 0.00 C ATOM 999 O TYR A 61 -10.300 -14.225 0.487 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.344 -15.030 3.439 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.197 -15.981 3.705 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -5.944 -15.468 4.084 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -7.461 -17.356 3.863 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -4.985 -16.306 4.678 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -6.510 -18.190 4.473 1.00 0.00 C ATOM 1006 CZ TYR A 61 -5.266 -17.670 4.869 1.00 0.00 C ATOM 1007 OH TYR A 61 -4.335 -18.489 5.437 1.00 0.00 O ATOM 0 H TYR A 61 -7.409 -12.876 2.875 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.091 -15.167 1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.265 -14.202 4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.273 -15.553 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.718 -14.425 3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.396 -17.769 3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.032 -15.902 4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.735 -19.233 4.638 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.748 -19.350 5.658 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.756 -13.855 2.666 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.210 -13.842 2.588 1.00 0.00 C ATOM 1019 C GLU A 62 -12.717 -12.893 3.672 1.00 0.00 C ATOM 1020 O GLU A 62 -13.019 -11.738 3.394 1.00 0.00 O ATOM 1021 CB GLU A 62 -12.747 -15.257 2.834 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.551 -16.223 1.659 1.00 0.00 C ATOM 1023 CD GLU A 62 -13.162 -17.586 1.974 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -12.424 -18.536 2.225 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.523 -17.648 1.963 1.00 0.00 O ATOM 0 H GLU A 62 -10.411 -13.615 3.596 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.547 -13.512 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.255 -15.671 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.811 -15.194 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.012 -15.811 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.488 -16.336 1.448 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.783 -13.367 4.922 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.022 -12.528 6.079 1.00 0.00 C ATOM 1035 C GLU A 63 -12.022 -11.368 6.094 1.00 0.00 C ATOM 1036 O GLU A 63 -12.417 -10.206 6.124 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.979 -13.404 7.343 1.00 0.00 C ATOM 1038 CG GLU A 63 -11.698 -14.229 7.548 1.00 0.00 C ATOM 1039 CD GLU A 63 -11.873 -15.232 8.686 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -11.341 -15.014 9.772 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -12.625 -16.334 8.401 1.00 0.00 O ATOM 0 H GLU A 63 -12.670 -14.355 5.150 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.011 -12.071 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.116 -12.760 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.827 -14.088 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.449 -14.757 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.863 -13.564 7.769 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.725 -11.683 5.986 1.00 0.00 N ATOM 1050 CA ALA A 64 -9.668 -10.684 5.942 1.00 0.00 C ATOM 1051 C ALA A 64 -9.731 -9.846 4.664 1.00 0.00 C ATOM 1052 O ALA A 64 -9.337 -8.680 4.684 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.306 -11.366 6.085 1.00 0.00 C ATOM 0 H ALA A 64 -10.386 -12.643 5.927 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.812 -9.998 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.517 -10.614 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.262 -11.896 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.167 -12.075 5.269 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.246 -10.426 3.570 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.445 -9.690 2.330 1.00 0.00 C ATOM 1061 C LEU A 65 -11.493 -8.600 2.558 1.00 0.00 C ATOM 1062 O LEU A 65 -11.156 -7.421 2.525 1.00 0.00 O ATOM 1063 CB LEU A 65 -10.802 -10.650 1.196 1.00 0.00 C ATOM 1064 CG LEU A 65 -10.938 -9.957 -0.158 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.583 -9.556 -0.753 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.646 -10.932 -1.088 1.00 0.00 C ATOM 0 H LEU A 65 -10.530 -11.405 3.527 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.524 -9.194 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.035 -11.421 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.739 -11.153 1.435 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.502 -9.032 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.738 -9.068 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.077 -8.869 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.969 -10.446 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.765 -10.476 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.054 -11.843 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.627 -11.176 -0.680 1.00 0.00 H new ATOM 1078 N SER A 66 -12.745 -8.996 2.816 1.00 0.00 N ATOM 1079 CA SER A 66 -13.867 -8.114 3.107 1.00 0.00 C ATOM 1080 C SER A 66 -13.524 -7.032 4.126 1.00 0.00 C ATOM 1081 O SER A 66 -13.891 -5.887 3.901 1.00 0.00 O ATOM 1082 CB SER A 66 -15.074 -8.950 3.548 1.00 0.00 C ATOM 1083 OG SER A 66 -14.790 -9.690 4.715 1.00 0.00 O ATOM 0 H SER A 66 -13.008 -9.981 2.827 1.00 0.00 H new ATOM 0 HA SER A 66 -14.119 -7.579 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.926 -8.294 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.360 -9.630 2.745 1.00 0.00 H new ATOM 0 HG SER A 66 -13.828 -9.656 4.898 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.801 -7.355 5.207 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.349 -6.336 6.148 1.00 0.00 C ATOM 1091 C LYS A 67 -11.507 -5.278 5.419 1.00 0.00 C ATOM 1092 O LYS A 67 -11.907 -4.116 5.368 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.610 -6.961 7.344 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.520 -7.166 8.565 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.547 -8.287 8.377 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.504 -8.347 9.571 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.445 -9.436 9.392 1.00 0.00 N ATOM 0 H LYS A 67 -12.522 -8.307 5.445 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.221 -5.831 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.190 -7.921 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.774 -6.320 7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.903 -7.391 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.045 -6.235 8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.112 -8.120 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.034 -9.243 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.941 -8.489 10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.040 -7.403 9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.092 -9.473 10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.992 -9.283 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.927 -10.335 9.322 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.363 -5.672 4.842 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.453 -4.754 4.160 1.00 0.00 C ATOM 1112 C LEU A 68 -10.146 -3.989 3.017 1.00 0.00 C ATOM 1113 O LEU A 68 -9.872 -2.810 2.809 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.229 -5.565 3.704 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.024 -4.791 3.131 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.100 -4.697 1.613 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.760 -3.401 3.712 1.00 0.00 C ATOM 0 H LEU A 68 -10.046 -6.641 4.838 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.124 -3.969 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.878 -6.148 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.561 -6.275 2.947 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.174 -5.396 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.237 -4.146 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.103 -5.700 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.014 -4.178 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.888 -2.963 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.628 -2.764 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.576 -3.483 4.783 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.077 -4.629 2.298 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.871 -4.001 1.251 1.00 0.00 C ATOM 1131 C LEU A 69 -12.770 -2.917 1.839 1.00 0.00 C ATOM 1132 O LEU A 69 -12.623 -1.746 1.496 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.696 -5.059 0.497 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.078 -5.516 -0.831 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.175 -4.432 -1.911 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.629 -5.966 -0.663 1.00 0.00 C ATOM 0 H LEU A 69 -11.298 -5.615 2.435 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.197 -3.527 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.826 -5.928 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.690 -4.656 0.302 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.663 -6.375 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.726 -4.797 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.222 -4.188 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.646 -3.539 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.232 -6.281 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.033 -5.138 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.586 -6.801 0.037 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.700 -3.316 2.712 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.679 -2.446 3.348 1.00 0.00 C ATOM 1150 C GLU A 70 -14.012 -1.239 4.016 1.00 0.00 C ATOM 1151 O GLU A 70 -14.549 -0.138 3.935 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.507 -3.267 4.345 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.495 -4.195 3.624 1.00 0.00 C ATOM 1154 CD GLU A 70 -17.260 -5.068 4.614 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -18.470 -4.904 4.753 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.527 -5.996 5.292 1.00 0.00 O ATOM 0 H GLU A 70 -13.790 -4.290 3.002 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.346 -2.041 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.841 -3.859 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.054 -2.595 5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.198 -3.599 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.955 -4.828 2.920 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.829 -1.432 4.618 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.966 -0.360 5.105 1.00 0.00 C ATOM 1166 C ARG A 71 -11.780 0.726 4.040 1.00 0.00 C ATOM 1167 O ARG A 71 -12.090 1.885 4.307 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.637 -0.951 5.617 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.385 -0.093 5.387 1.00 0.00 C ATOM 1170 CD ARG A 71 -9.442 1.302 6.024 1.00 0.00 C ATOM 1171 NE ARG A 71 -9.222 2.394 5.056 1.00 0.00 N ATOM 1172 CZ ARG A 71 -8.162 2.561 4.243 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -7.152 1.683 4.216 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -8.121 3.606 3.408 1.00 0.00 N ATOM 0 H ARG A 71 -12.442 -2.362 4.781 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.442 0.136 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.734 -1.138 6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.484 -1.918 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.519 -0.624 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.228 0.018 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.413 1.437 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.690 1.366 6.811 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.955 3.101 4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.173 0.862 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.361 1.835 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.892 4.274 3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.319 3.735 2.791 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.235 0.375 2.869 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.697 1.375 1.955 1.00 0.00 C ATOM 1190 C ILE A 72 -11.788 2.333 1.478 1.00 0.00 C ATOM 1191 O ILE A 72 -11.715 3.529 1.745 1.00 0.00 O ATOM 1192 CB ILE A 72 -9.896 0.735 0.810 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.715 -0.088 1.352 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.295 1.842 -0.069 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.364 -1.222 0.391 1.00 0.00 C ATOM 0 H ILE A 72 -11.158 -0.587 2.539 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.979 1.983 2.505 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.576 0.093 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.849 0.558 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.969 -0.498 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.726 1.392 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.097 2.454 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.635 2.467 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.526 -1.793 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.226 -1.878 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.089 -0.806 -0.578 1.00 0.00 H new ATOM 1207 N LYS A 73 -12.797 1.797 0.787 1.00 0.00 N ATOM 1208 CA LYS A 73 -13.938 2.554 0.295 1.00 0.00 C ATOM 1209 C LYS A 73 -14.621 3.388 1.384 1.00 0.00 C ATOM 1210 O LYS A 73 -14.875 4.571 1.170 1.00 0.00 O ATOM 1211 CB LYS A 73 -14.917 1.600 -0.398 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.278 0.329 0.393 1.00 0.00 C ATOM 1213 CD LYS A 73 -15.543 -0.822 -0.584 1.00 0.00 C ATOM 1214 CE LYS A 73 -14.251 -1.377 -1.215 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.513 -1.814 -2.574 1.00 0.00 N ATOM 0 H LYS A 73 -12.839 0.805 0.552 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.573 3.281 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.836 2.145 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.490 1.302 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.465 0.066 1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.160 0.509 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.061 -1.626 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.209 -0.476 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.477 -0.610 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.875 -2.211 -0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.638 -2.187 -2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.238 -2.560 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.852 -1.009 -3.138 1.00 0.00 H new ATOM 1228 N GLN A 74 -14.909 2.777 2.540 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.555 3.451 3.663 1.00 0.00 C ATOM 1230 C GLN A 74 -14.731 4.654 4.127 1.00 0.00 C ATOM 1231 O GLN A 74 -15.270 5.750 4.261 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.795 2.449 4.801 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.541 3.035 6.008 1.00 0.00 C ATOM 1234 CD GLN A 74 -15.622 3.800 6.960 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -14.722 3.218 7.559 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -15.842 5.108 7.109 1.00 0.00 N ATOM 0 H GLN A 74 -14.697 1.795 2.719 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.522 3.836 3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.363 1.604 4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.834 2.060 5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.327 3.703 5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -17.030 2.228 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.599 5.560 6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.253 5.656 7.736 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.438 4.433 4.390 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.507 5.429 4.889 1.00 0.00 C ATOM 1247 C GLY A 75 -11.532 5.830 3.781 1.00 0.00 C ATOM 1248 O GLY A 75 -10.453 5.242 3.708 1.00 0.00 O ATOM 0 H GLY A 75 -13.004 3.520 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.052 6.305 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.958 5.031 5.742 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.875 6.805 2.918 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.025 7.230 1.811 1.00 0.00 C ATOM 1254 C PRO A 76 -9.738 7.891 2.321 1.00 0.00 C ATOM 1255 O PRO A 76 -9.661 8.272 3.489 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.882 8.211 0.999 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.842 8.785 2.036 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.103 7.583 2.938 1.00 0.00 C ATOM 0 HA PRO A 76 -10.698 6.387 1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.274 8.990 0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.416 7.707 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.399 9.616 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.759 9.157 1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.350 7.900 3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.945 6.995 2.574 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.715 8.033 1.461 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.458 8.668 1.825 1.00 0.00 C ATOM 1268 C PRO A 77 -7.639 10.170 2.036 1.00 0.00 C ATOM 1269 O PRO A 77 -8.636 10.752 1.611 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.514 8.398 0.654 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.460 8.275 -0.539 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.694 7.610 0.068 1.00 0.00 C ATOM 0 HA PRO A 77 -7.068 8.273 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.799 9.209 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.936 7.486 0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.696 9.248 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.027 7.671 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.602 7.919 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.635 6.525 -0.012 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.638 10.802 2.661 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.615 12.235 2.913 1.00 0.00 C ATOM 1282 C ALA A 78 -6.153 13.007 1.670 1.00 0.00 C ATOM 1283 O ALA A 78 -5.357 13.937 1.779 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.714 12.506 4.123 1.00 0.00 C ATOM 0 H ALA A 78 -5.811 10.317 3.009 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.622 12.587 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.687 13.577 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.108 11.983 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.705 12.151 3.912 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.655 12.625 0.489 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.353 13.251 -0.785 1.00 0.00 C ATOM 1292 C ALA A 79 -7.551 13.098 -1.720 1.00 0.00 C ATOM 1293 O ALA A 79 -8.465 12.316 -1.455 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.131 12.587 -1.402 1.00 0.00 C ATOM 0 H ALA A 79 -7.304 11.843 0.401 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.146 14.310 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.905 13.058 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.279 12.699 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.333 11.527 -1.558 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.519 13.835 -2.832 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.539 13.812 -3.865 1.00 0.00 C ATOM 1302 C GLU A 80 -8.380 12.550 -4.714 1.00 0.00 C ATOM 1303 O GLU A 80 -7.832 12.598 -5.815 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.458 15.087 -4.722 1.00 0.00 C ATOM 1305 CG GLU A 80 -8.820 16.369 -3.953 1.00 0.00 C ATOM 1306 CD GLU A 80 -7.772 16.810 -2.930 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -6.594 16.494 -3.085 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -8.239 17.543 -1.881 1.00 0.00 O ATOM 0 H GLU A 80 -6.757 14.481 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.527 13.790 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.448 15.184 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.128 14.984 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.973 17.176 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.769 16.214 -3.439 1.00 0.00 H new ATOM 1316 N VAL A 81 -8.892 11.426 -4.198 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.049 10.186 -4.942 1.00 0.00 C ATOM 1318 C VAL A 81 -10.019 10.429 -6.100 1.00 0.00 C ATOM 1319 O VAL A 81 -11.151 10.864 -5.897 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.457 9.047 -3.990 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.829 9.232 -3.330 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.406 7.692 -4.705 1.00 0.00 C ATOM 0 H VAL A 81 -9.213 11.359 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.107 9.863 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.723 9.076 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.036 8.384 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.830 10.151 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.598 9.292 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.698 6.903 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.091 7.702 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.392 7.506 -5.060 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.525 10.216 -7.321 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.180 10.615 -8.552 1.00 0.00 C ATOM 1334 C GLU A 82 -11.138 9.523 -9.023 1.00 0.00 C ATOM 1335 O GLU A 82 -12.290 9.818 -9.332 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.093 10.940 -9.587 1.00 0.00 C ATOM 1337 CG GLU A 82 -9.653 11.400 -10.940 1.00 0.00 C ATOM 1338 CD GLU A 82 -10.439 12.703 -10.826 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -11.660 12.686 -10.954 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -9.700 13.823 -10.585 1.00 0.00 O ATOM 0 H GLU A 82 -8.633 9.747 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.789 11.506 -8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.444 11.719 -9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.473 10.057 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.832 11.533 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.299 10.622 -11.347 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.660 8.273 -9.090 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.438 7.162 -9.629 1.00 0.00 C ATOM 1350 C LYS A 83 -10.809 5.813 -9.282 1.00 0.00 C ATOM 1351 O LYS A 83 -10.283 5.113 -10.141 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.671 7.323 -11.140 1.00 0.00 C ATOM 1353 CG LYS A 83 -10.388 7.521 -11.961 1.00 0.00 C ATOM 1354 CD LYS A 83 -10.731 7.767 -13.433 1.00 0.00 C ATOM 1355 CE LYS A 83 -9.447 7.873 -14.261 1.00 0.00 C ATOM 1356 NZ LYS A 83 -9.773 8.077 -15.659 1.00 0.00 N ATOM 0 H LYS A 83 -9.727 8.010 -8.772 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.418 7.183 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.193 6.441 -11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.329 8.176 -11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.822 8.365 -11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.751 6.641 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.351 6.954 -13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.313 8.683 -13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.837 8.700 -13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.855 6.965 -14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.896 8.148 -16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.337 7.275 -16.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.320 8.955 -15.763 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.901 5.439 -8.006 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.368 4.180 -7.497 1.00 0.00 C ATOM 1371 C VAL A 84 -11.113 2.981 -8.098 1.00 0.00 C ATOM 1372 O VAL A 84 -12.159 2.566 -7.603 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.307 4.181 -5.958 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.612 4.567 -5.245 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.820 2.817 -5.456 1.00 0.00 C ATOM 0 H VAL A 84 -11.353 6.009 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.334 4.075 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.601 4.971 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.460 4.536 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.904 5.574 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.399 3.865 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.779 2.824 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.508 2.040 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.826 2.616 -5.855 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.557 2.434 -9.186 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.153 1.382 -9.988 1.00 0.00 C ATOM 1387 C ASP A 85 -10.394 0.089 -9.709 1.00 0.00 C ATOM 1388 O ASP A 85 -9.472 -0.257 -10.447 1.00 0.00 O ATOM 1389 CB ASP A 85 -11.060 1.782 -11.468 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.601 0.700 -12.402 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.558 0.013 -12.050 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -10.956 0.570 -13.596 1.00 0.00 O ATOM 0 H ASP A 85 -9.646 2.730 -9.537 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.204 1.233 -9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.616 2.706 -11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.020 1.989 -11.721 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.763 -0.612 -8.631 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.093 -1.854 -8.280 1.00 0.00 C ATOM 1400 C TYR A 86 -10.578 -3.001 -9.172 1.00 0.00 C ATOM 1401 O TYR A 86 -11.617 -2.898 -9.823 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.244 -2.171 -6.783 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.546 -2.841 -6.387 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.704 -2.073 -6.165 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.594 -4.241 -6.235 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.902 -2.702 -5.785 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.791 -4.867 -5.850 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.943 -4.098 -5.614 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.099 -4.708 -5.219 1.00 0.00 O ATOM 0 H TYR A 86 -11.514 -0.339 -7.997 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.025 -1.731 -8.463 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.418 -2.814 -6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.148 -1.242 -6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.672 -1.000 -6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.709 -4.834 -6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.793 -2.113 -5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.826 -5.940 -5.735 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.952 -5.675 -5.151 1.00 0.00 H new ATOM 1419 N SER A 87 -9.811 -4.094 -9.188 1.00 0.00 N ATOM 1420 CA SER A 87 -10.086 -5.296 -9.954 1.00 0.00 C ATOM 1421 C SER A 87 -9.761 -6.530 -9.110 1.00 0.00 C ATOM 1422 O SER A 87 -8.598 -6.835 -8.860 1.00 0.00 O ATOM 1423 CB SER A 87 -9.278 -5.290 -11.257 1.00 0.00 C ATOM 1424 OG SER A 87 -9.533 -4.110 -11.992 1.00 0.00 O ATOM 0 H SER A 87 -8.950 -4.161 -8.645 1.00 0.00 H new ATOM 0 HA SER A 87 -11.144 -5.325 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.214 -5.363 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.537 -6.162 -11.857 1.00 0.00 H new ATOM 0 HG SER A 87 -9.009 -4.121 -12.820 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.806 -7.258 -8.706 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.694 -8.605 -8.164 1.00 0.00 C ATOM 1432 C PHE A 88 -10.053 -9.496 -9.237 1.00 0.00 C ATOM 1433 O PHE A 88 -10.583 -9.608 -10.342 1.00 0.00 O ATOM 1434 CB PHE A 88 -12.101 -9.082 -7.740 1.00 0.00 C ATOM 1435 CG PHE A 88 -12.441 -10.547 -7.966 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.603 -11.560 -7.469 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -13.613 -10.900 -8.663 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.925 -12.913 -7.671 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -13.936 -12.252 -8.867 1.00 0.00 C ATOM 1440 CZ PHE A 88 -13.093 -13.260 -8.369 1.00 0.00 C ATOM 0 H PHE A 88 -11.767 -6.918 -8.749 1.00 0.00 H new ATOM 0 HA PHE A 88 -10.060 -8.645 -7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.224 -8.868 -6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.836 -8.479 -8.274 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.706 -11.297 -6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -14.266 -10.128 -9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.274 -13.686 -7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.833 -12.517 -9.407 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.343 -14.299 -8.523 1.00 0.00 H new ATOM 1450 N SER A 89 -8.902 -10.099 -8.910 1.00 0.00 N ATOM 1451 CA SER A 89 -8.137 -10.965 -9.795 1.00 0.00 C ATOM 1452 C SER A 89 -7.855 -12.291 -9.079 1.00 0.00 C ATOM 1453 O SER A 89 -8.621 -12.689 -8.204 1.00 0.00 O ATOM 1454 CB SER A 89 -6.854 -10.240 -10.228 1.00 0.00 C ATOM 1455 OG SER A 89 -7.143 -8.936 -10.690 1.00 0.00 O ATOM 0 H SER A 89 -8.471 -9.989 -7.992 1.00 0.00 H new ATOM 0 HA SER A 89 -8.700 -11.195 -10.699 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.160 -10.187 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.359 -10.808 -11.016 1.00 0.00 H new ATOM 0 HG SER A 89 -6.312 -8.492 -10.959 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.756 -12.968 -9.431 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.237 -14.124 -8.717 1.00 0.00 C ATOM 1463 C GLU A 90 -4.729 -13.968 -8.538 1.00 0.00 C ATOM 1464 O GLU A 90 -4.077 -13.239 -9.288 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.598 -15.434 -9.434 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.855 -15.658 -10.758 1.00 0.00 C ATOM 1467 CD GLU A 90 -6.255 -14.652 -11.834 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -5.563 -13.651 -12.015 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -7.394 -14.940 -12.524 1.00 0.00 O ATOM 0 H GLU A 90 -6.193 -12.714 -10.243 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.701 -14.176 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.386 -16.269 -8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.671 -15.445 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.781 -15.590 -10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.056 -16.667 -11.117 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.186 -14.640 -7.520 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.780 -14.607 -7.188 1.00 0.00 C ATOM 1479 C TYR A 91 -1.992 -15.565 -8.082 1.00 0.00 C ATOM 1480 O TYR A 91 -2.286 -16.757 -8.139 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.617 -14.900 -5.690 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.636 -16.357 -5.270 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.833 -17.098 -5.300 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.455 -16.964 -4.804 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.853 -18.428 -4.849 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.476 -18.293 -4.350 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.677 -19.025 -4.366 1.00 0.00 C ATOM 1488 OH TYR A 91 -2.703 -20.310 -3.912 1.00 0.00 O ATOM 0 H TYR A 91 -4.734 -15.233 -6.896 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.366 -13.617 -7.378 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.674 -14.464 -5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.413 -14.382 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.739 -16.642 -5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.530 -16.406 -4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.774 -18.992 -4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.569 -18.754 -3.988 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.806 -20.570 -3.615 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.980 -15.032 -8.774 1.00 0.00 N ATOM 1499 CA LYS A 92 0.029 -15.837 -9.444 1.00 0.00 C ATOM 1500 C LYS A 92 0.955 -16.425 -8.380 1.00 0.00 C ATOM 1501 O LYS A 92 1.257 -17.617 -8.401 1.00 0.00 O ATOM 1502 CB LYS A 92 0.799 -14.959 -10.438 1.00 0.00 C ATOM 1503 CG LYS A 92 1.926 -15.701 -11.170 1.00 0.00 C ATOM 1504 CD LYS A 92 1.388 -16.803 -12.095 1.00 0.00 C ATOM 1505 CE LYS A 92 2.496 -17.449 -12.936 1.00 0.00 C ATOM 1506 NZ LYS A 92 3.007 -16.522 -13.929 1.00 0.00 N ATOM 0 H LYS A 92 -0.843 -14.027 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.427 -16.653 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.101 -14.560 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.222 -14.107 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.507 -14.989 -11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.604 -16.141 -10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.896 -17.569 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.631 -16.382 -12.757 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.308 -17.774 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.109 -18.340 -13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.602 -17.036 -14.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.212 -16.077 -14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.574 -15.788 -13.459 1.00 0.00 H new ATOM 1519 N GLY A 93 1.393 -15.573 -7.446 1.00 0.00 N ATOM 1520 CA GLY A 93 2.240 -15.926 -6.328 1.00 0.00 C ATOM 1521 C GLY A 93 2.047 -14.900 -5.213 1.00 0.00 C ATOM 1522 O GLY A 93 1.485 -13.824 -5.432 1.00 0.00 O ATOM 0 H GLY A 93 1.151 -14.582 -7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.991 -16.924 -5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.284 -15.951 -6.640 1.00 0.00 H new ATOM 1526 N GLU A 94 2.503 -15.250 -4.007 1.00 0.00 N ATOM 1527 CA GLU A 94 2.417 -14.421 -2.824 1.00 0.00 C ATOM 1528 C GLU A 94 3.666 -13.548 -2.729 1.00 0.00 C ATOM 1529 O GLU A 94 4.791 -14.016 -2.906 1.00 0.00 O ATOM 1530 CB GLU A 94 2.193 -15.279 -1.572 1.00 0.00 C ATOM 1531 CG GLU A 94 3.335 -16.255 -1.260 1.00 0.00 C ATOM 1532 CD GLU A 94 3.029 -17.077 -0.014 1.00 0.00 C ATOM 1533 OE1 GLU A 94 3.615 -16.826 1.036 1.00 0.00 O ATOM 1534 OE2 GLU A 94 2.102 -18.067 -0.165 1.00 0.00 O ATOM 0 H GLU A 94 2.954 -16.148 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 94 1.554 -13.760 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.050 -14.620 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.270 -15.846 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.491 -16.920 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.262 -15.700 -1.115 1.00 0.00 H new ATOM 1542 N PHE A 95 3.443 -12.267 -2.448 1.00 0.00 N ATOM 1543 CA PHE A 95 4.479 -11.285 -2.182 1.00 0.00 C ATOM 1544 C PHE A 95 5.062 -11.520 -0.789 1.00 0.00 C ATOM 1545 O PHE A 95 4.347 -11.918 0.128 1.00 0.00 O ATOM 1546 CB PHE A 95 3.878 -9.880 -2.278 1.00 0.00 C ATOM 1547 CG PHE A 95 3.752 -9.339 -3.691 1.00 0.00 C ATOM 1548 CD1 PHE A 95 2.817 -9.891 -4.586 1.00 0.00 C ATOM 1549 CD2 PHE A 95 4.614 -8.315 -4.130 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.754 -9.436 -5.914 1.00 0.00 C ATOM 1551 CE2 PHE A 95 4.550 -7.858 -5.457 1.00 0.00 C ATOM 1552 CZ PHE A 95 3.631 -8.430 -6.354 1.00 0.00 C ATOM 0 H PHE A 95 2.503 -11.875 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 95 5.279 -11.382 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.890 -9.890 -1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.494 -9.195 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.145 -10.667 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.326 -7.880 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.032 -9.859 -6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.207 -7.067 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.599 -8.096 -7.381 1.00 0.00 H new ATOM 1562 N GLU A 96 6.363 -11.261 -0.633 1.00 0.00 N ATOM 1563 CA GLU A 96 7.060 -11.343 0.637 1.00 0.00 C ATOM 1564 C GLU A 96 6.635 -10.185 1.547 1.00 0.00 C ATOM 1565 O GLU A 96 7.266 -9.131 1.553 1.00 0.00 O ATOM 1566 CB GLU A 96 8.583 -11.431 0.427 1.00 0.00 C ATOM 1567 CG GLU A 96 9.180 -10.403 -0.550 1.00 0.00 C ATOM 1568 CD GLU A 96 10.705 -10.467 -0.542 1.00 0.00 C ATOM 1569 OE1 GLU A 96 11.347 -9.539 -0.056 1.00 0.00 O ATOM 1570 OE2 GLU A 96 11.257 -11.584 -1.094 1.00 0.00 O ATOM 0 H GLU A 96 6.967 -10.983 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 96 6.778 -12.264 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.072 -11.313 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.825 -12.431 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.809 -10.594 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.852 -9.401 -0.275 1.00 0.00 H new ATOM 1578 N ASP A 97 5.548 -10.386 2.305 1.00 0.00 N ATOM 1579 CA ASP A 97 4.923 -9.365 3.141 1.00 0.00 C ATOM 1580 C ASP A 97 4.329 -8.268 2.254 1.00 0.00 C ATOM 1581 O ASP A 97 4.067 -8.504 1.075 1.00 0.00 O ATOM 1582 CB ASP A 97 5.888 -8.846 4.225 1.00 0.00 C ATOM 1583 CG ASP A 97 6.515 -9.986 5.023 1.00 0.00 C ATOM 1584 OD1 ASP A 97 5.906 -10.457 5.981 1.00 0.00 O ATOM 1585 OD2 ASP A 97 7.742 -10.411 4.604 1.00 0.00 O ATOM 0 H ASP A 97 5.071 -11.287 2.351 1.00 0.00 H new ATOM 0 HA ASP A 97 4.096 -9.805 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.675 -8.255 3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.350 -8.182 4.902 1.00 0.00 H new ATOM 1591 N PHE A 98 4.084 -7.088 2.833 1.00 0.00 N ATOM 1592 CA PHE A 98 3.454 -5.961 2.160 1.00 0.00 C ATOM 1593 C PHE A 98 4.186 -4.672 2.540 1.00 0.00 C ATOM 1594 O PHE A 98 4.157 -4.279 3.705 1.00 0.00 O ATOM 1595 CB PHE A 98 1.972 -5.926 2.563 1.00 0.00 C ATOM 1596 CG PHE A 98 0.995 -5.174 1.676 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.404 -4.184 0.761 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.376 -5.409 1.866 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.445 -3.432 0.061 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.334 -4.649 1.176 1.00 0.00 C ATOM 1601 CZ PHE A 98 -0.923 -3.648 0.282 1.00 0.00 C ATOM 0 H PHE A 98 4.326 -6.891 3.804 1.00 0.00 H new ATOM 0 HA PHE A 98 3.514 -6.062 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.625 -6.957 2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.911 -5.495 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.456 -4.003 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.697 -6.181 2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.763 -2.684 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.386 -4.834 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.657 -3.047 -0.234 1.00 0.00 H new ATOM 1611 N GLU A 99 4.859 -4.036 1.568 1.00 0.00 N ATOM 1612 CA GLU A 99 5.579 -2.781 1.770 1.00 0.00 C ATOM 1613 C GLU A 99 5.122 -1.723 0.765 1.00 0.00 C ATOM 1614 O GLU A 99 4.483 -2.042 -0.234 1.00 0.00 O ATOM 1615 CB GLU A 99 7.083 -3.055 1.640 1.00 0.00 C ATOM 1616 CG GLU A 99 7.933 -1.837 2.024 1.00 0.00 C ATOM 1617 CD GLU A 99 9.400 -2.216 2.192 1.00 0.00 C ATOM 1618 OE1 GLU A 99 9.894 -2.238 3.317 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.074 -2.509 1.044 1.00 0.00 O ATOM 0 H GLU A 99 4.916 -4.387 0.612 1.00 0.00 H new ATOM 0 HA GLU A 99 5.366 -2.390 2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.353 -3.898 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.310 -3.344 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.839 -1.069 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.558 -1.407 2.953 1.00 0.00 H new ATOM 1627 N THR A 100 5.457 -0.458 1.034 1.00 0.00 N ATOM 1628 CA THR A 100 5.092 0.682 0.207 1.00 0.00 C ATOM 1629 C THR A 100 6.326 1.235 -0.516 1.00 0.00 C ATOM 1630 O THR A 100 7.414 1.261 0.057 1.00 0.00 O ATOM 1631 CB THR A 100 4.360 1.747 1.056 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.165 2.880 1.310 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.867 1.209 2.408 1.00 0.00 C ATOM 0 H THR A 100 6.003 -0.198 1.855 1.00 0.00 H new ATOM 0 HA THR A 100 4.394 0.363 -0.567 1.00 0.00 H new ATOM 0 HB THR A 100 3.500 2.029 0.448 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.661 3.526 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.362 2.006 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.171 0.387 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.717 0.852 2.989 1.00 0.00 H new ATOM 1641 N TYR A 101 6.149 1.692 -1.762 1.00 0.00 N ATOM 1642 CA TYR A 101 7.162 2.464 -2.486 1.00 0.00 C ATOM 1643 C TYR A 101 7.585 3.705 -1.689 1.00 0.00 C ATOM 1644 O TYR A 101 8.794 4.020 -1.728 1.00 0.00 O ATOM 1645 CB TYR A 101 6.612 2.881 -3.863 1.00 0.00 C ATOM 1646 CG TYR A 101 7.418 2.485 -5.088 1.00 0.00 C ATOM 1647 CD1 TYR A 101 7.968 1.195 -5.186 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.455 3.333 -6.211 1.00 0.00 C ATOM 1649 CE1 TYR A 101 8.676 0.808 -6.338 1.00 0.00 C ATOM 1650 CE2 TYR A 101 8.115 2.930 -7.385 1.00 0.00 C ATOM 1651 CZ TYR A 101 8.735 1.671 -7.446 1.00 0.00 C ATOM 1652 OH TYR A 101 9.379 1.284 -8.584 1.00 0.00 O ATOM 1653 OXT TYR A 101 6.696 4.329 -1.070 1.00 0.00 O ATOM 0 H TYR A 101 5.295 1.535 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 101 8.042 1.835 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.612 2.460 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.503 3.966 -3.868 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.846 0.497 -4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.974 4.299 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.173 -0.150 -6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 101 8.145 3.589 -8.240 1.00 0.00 H new ATOM 0 HH TYR A 101 9.323 2.000 -9.251 1.00 0.00 H new TER 1663 TYR A 101