USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot -71:sc= -0.311 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.406 X(o=0.095,f=-0.12) USER MOD Set 2.1: A 39 SER OG : rot 53:sc= 0.415 USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.382 USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0.0299 USER MOD Set 3.2: A 40 SER OG : rot 102:sc= 1.88 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.13 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.0499 X(o=0.05,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00265) USER MOD Single : A 21 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -2.5 F(o=-3.4,f=-2.5) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 73:sc= 0.675 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 66 GLN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 67 MET CE :methyl -167:sc= -2.15 (180deg=-2.59) USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.472 (180deg=-1.38) USER MOD Single : A 77 CYS SG : rot 140:sc=-0.00995 USER MOD Single : A 78 SER OG : rot 180:sc= -0.137 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -18:sc= 1.44 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 88 HIS : no HE2:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 95 ASN : amide:sc= -3.22 K(o=-3.2,f=-4.5!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.307 -1.150 0.525 1.00 0.00 N ATOM 2 CA MET A 1 2.113 -0.303 -0.646 1.00 0.00 C ATOM 3 C MET A 1 1.548 -1.108 -1.812 1.00 0.00 C ATOM 4 O MET A 1 1.403 -2.326 -1.725 1.00 0.00 O ATOM 5 CB MET A 1 3.434 0.351 -1.054 1.00 0.00 C ATOM 6 CG MET A 1 3.900 1.433 -0.094 1.00 0.00 C ATOM 7 SD MET A 1 5.022 2.613 -0.868 1.00 0.00 S ATOM 8 CE MET A 1 3.857 3.752 -1.611 1.00 0.00 C ATOM 0 H1 MET A 1 1.659 -0.850 1.281 1.00 0.00 H new ATOM 0 H2 MET A 1 2.111 -2.140 0.274 1.00 0.00 H new ATOM 0 H3 MET A 1 3.289 -1.064 0.856 1.00 0.00 H new ATOM 0 HA MET A 1 1.397 0.476 -0.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.204 -0.417 -1.123 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.324 0.783 -2.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.032 1.965 0.296 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.398 0.968 0.757 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.401 4.542 -2.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.229 3.217 -2.323 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.232 4.191 -0.834 1.00 0.00 H new ATOM 18 N GLY A 2 1.231 -0.418 -2.903 1.00 0.00 N ATOM 19 CA GLY A 2 0.686 -1.085 -4.071 1.00 0.00 C ATOM 20 C GLY A 2 -0.814 -0.903 -4.195 1.00 0.00 C ATOM 21 O GLY A 2 -1.385 -1.108 -5.266 1.00 0.00 O ATOM 0 H GLY A 2 1.342 0.591 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.171 -0.697 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.917 -2.149 -4.019 1.00 0.00 H new ATOM 25 N VAL A 3 -1.455 -0.517 -3.096 1.00 0.00 N ATOM 26 CA VAL A 3 -2.898 -0.307 -3.087 1.00 0.00 C ATOM 27 C VAL A 3 -3.275 0.876 -2.203 1.00 0.00 C ATOM 28 O VAL A 3 -2.659 1.108 -1.164 1.00 0.00 O ATOM 29 CB VAL A 3 -3.644 -1.561 -2.593 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.127 -1.986 -1.227 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.143 -1.306 -2.549 1.00 0.00 C ATOM 0 H VAL A 3 -0.998 -0.343 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.194 -0.098 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.457 -2.374 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.666 -2.873 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.063 -2.212 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.282 -1.178 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.654 -2.202 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.352 -0.479 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.499 -1.053 -3.548 1.00 0.00 H new ATOM 41 N GLN A 4 -4.292 1.622 -2.624 1.00 0.00 N ATOM 42 CA GLN A 4 -4.751 2.782 -1.871 1.00 0.00 C ATOM 43 C GLN A 4 -6.266 2.750 -1.691 1.00 0.00 C ATOM 44 O GLN A 4 -7.006 2.458 -2.630 1.00 0.00 O ATOM 45 CB GLN A 4 -4.337 4.073 -2.579 1.00 0.00 C ATOM 46 CG GLN A 4 -3.265 4.856 -1.839 1.00 0.00 C ATOM 47 CD GLN A 4 -1.894 4.707 -2.469 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.368 5.646 -3.068 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.307 3.523 -2.337 1.00 0.00 N ATOM 0 H GLN A 4 -4.813 1.443 -3.482 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.286 2.751 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.973 3.829 -3.577 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.215 4.706 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.539 5.911 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.223 4.518 -0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.779 2.773 -1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.384 3.364 -2.740 1.00 0.00 H new ATOM 58 N VAL A 5 -6.719 3.052 -0.478 1.00 0.00 N ATOM 59 CA VAL A 5 -8.145 3.058 -0.176 1.00 0.00 C ATOM 60 C VAL A 5 -8.668 4.482 -0.022 1.00 0.00 C ATOM 61 O VAL A 5 -8.151 5.262 0.778 1.00 0.00 O ATOM 62 CB VAL A 5 -8.449 2.270 1.112 1.00 0.00 C ATOM 63 CG1 VAL A 5 -7.655 2.831 2.282 1.00 0.00 C ATOM 64 CG2 VAL A 5 -9.941 2.292 1.411 1.00 0.00 C ATOM 0 H VAL A 5 -6.119 3.295 0.310 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.648 2.577 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.147 1.234 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.883 2.261 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.589 2.758 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.923 3.876 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.137 1.730 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.271 3.323 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.485 1.839 0.582 1.00 0.00 H new ATOM 74 N VAL A 6 -9.698 4.815 -0.794 1.00 0.00 N ATOM 75 CA VAL A 6 -10.293 6.145 -0.743 1.00 0.00 C ATOM 76 C VAL A 6 -11.703 6.094 -0.165 1.00 0.00 C ATOM 77 O VAL A 6 -12.673 5.848 -0.882 1.00 0.00 O ATOM 78 CB VAL A 6 -10.347 6.790 -2.141 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.819 8.232 -2.046 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.986 6.709 -2.816 1.00 0.00 C ATOM 0 H VAL A 6 -10.137 4.182 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.659 6.751 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.063 6.239 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.851 8.671 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.815 8.260 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.130 8.800 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.041 7.169 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.248 7.235 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.692 5.664 -2.919 1.00 0.00 H new ATOM 90 N THR A 7 -11.811 6.330 1.139 1.00 0.00 N ATOM 91 CA THR A 7 -13.101 6.311 1.816 1.00 0.00 C ATOM 92 C THR A 7 -14.096 7.239 1.127 1.00 0.00 C ATOM 93 O THR A 7 -13.860 8.442 1.009 1.00 0.00 O ATOM 94 CB THR A 7 -12.968 6.726 3.293 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.768 6.177 3.849 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.168 6.252 4.099 1.00 0.00 C ATOM 0 H THR A 7 -11.019 6.537 1.748 1.00 0.00 H new ATOM 0 HA THR A 7 -13.468 5.286 1.767 1.00 0.00 H new ATOM 0 HB THR A 7 -12.926 7.814 3.339 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.689 6.447 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.051 6.557 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.077 6.693 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.236 5.165 4.045 1.00 0.00 H new ATOM 104 N LEU A 8 -15.210 6.673 0.676 1.00 0.00 N ATOM 105 CA LEU A 8 -16.243 7.450 -0.001 1.00 0.00 C ATOM 106 C LEU A 8 -17.415 7.729 0.935 1.00 0.00 C ATOM 107 O LEU A 8 -17.869 8.867 1.055 1.00 0.00 O ATOM 108 CB LEU A 8 -16.734 6.709 -1.245 1.00 0.00 C ATOM 109 CG LEU A 8 -15.674 6.392 -2.300 1.00 0.00 C ATOM 110 CD1 LEU A 8 -16.013 5.100 -3.027 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.544 7.543 -3.288 1.00 0.00 C ATOM 0 H LEU A 8 -15.421 5.679 0.767 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.807 8.403 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.193 5.773 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.517 7.306 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.716 6.261 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.247 4.891 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.055 4.280 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.981 5.202 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.785 7.300 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.500 7.706 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.253 8.449 -2.755 1.00 0.00 H new ATOM 123 N ALA A 9 -17.899 6.683 1.597 1.00 0.00 N ATOM 124 CA ALA A 9 -19.015 6.817 2.525 1.00 0.00 C ATOM 125 C ALA A 9 -18.855 5.876 3.715 1.00 0.00 C ATOM 126 O ALA A 9 -18.974 4.659 3.576 1.00 0.00 O ATOM 127 CB ALA A 9 -20.331 6.547 1.810 1.00 0.00 C ATOM 0 H ALA A 9 -17.536 5.734 1.508 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.022 7.840 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.156 6.650 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.457 7.262 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.324 5.535 1.405 1.00 0.00 H new ATOM 133 N ALA A 10 -18.583 6.448 4.883 1.00 0.00 N ATOM 134 CA ALA A 10 -18.408 5.661 6.097 1.00 0.00 C ATOM 135 C ALA A 10 -19.588 4.719 6.315 1.00 0.00 C ATOM 136 O ALA A 10 -20.712 5.013 5.912 1.00 0.00 O ATOM 137 CB ALA A 10 -18.232 6.576 7.299 1.00 0.00 C ATOM 0 H ALA A 10 -18.479 7.454 5.014 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.509 5.055 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.102 5.974 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.353 7.204 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.114 7.207 7.408 1.00 0.00 H new ATOM 143 N GLY A 11 -19.323 3.584 6.956 1.00 0.00 N ATOM 144 CA GLY A 11 -20.372 2.616 7.215 1.00 0.00 C ATOM 145 C GLY A 11 -20.501 2.282 8.688 1.00 0.00 C ATOM 146 O GLY A 11 -20.729 3.165 9.515 1.00 0.00 O ATOM 0 H GLY A 11 -18.400 3.318 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.322 3.007 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.167 1.704 6.655 1.00 0.00 H new ATOM 150 N ASP A 12 -20.357 1.003 9.017 1.00 0.00 N ATOM 151 CA ASP A 12 -20.459 0.554 10.401 1.00 0.00 C ATOM 152 C ASP A 12 -19.168 0.840 11.162 1.00 0.00 C ATOM 153 O ASP A 12 -19.196 1.164 12.349 1.00 0.00 O ATOM 154 CB ASP A 12 -20.774 -0.942 10.452 1.00 0.00 C ATOM 155 CG ASP A 12 -21.498 -1.339 11.723 1.00 0.00 C ATOM 156 OD1 ASP A 12 -21.484 -0.543 12.686 1.00 0.00 O ATOM 157 OD2 ASP A 12 -22.077 -2.445 11.757 1.00 0.00 O ATOM 0 H ASP A 12 -20.169 0.259 8.345 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.270 1.105 10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.385 -1.211 9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.846 -1.508 10.374 1.00 0.00 H new ATOM 162 N GLU A 13 -18.039 0.718 10.471 1.00 0.00 N ATOM 163 CA GLU A 13 -16.739 0.962 11.083 1.00 0.00 C ATOM 164 C GLU A 13 -16.585 0.160 12.372 1.00 0.00 C ATOM 165 O GLU A 13 -15.891 0.579 13.298 1.00 0.00 O ATOM 166 CB GLU A 13 -16.559 2.454 11.374 1.00 0.00 C ATOM 167 CG GLU A 13 -16.159 3.268 10.154 1.00 0.00 C ATOM 168 CD GLU A 13 -15.378 4.516 10.517 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.987 5.459 11.063 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.158 4.549 10.254 1.00 0.00 O ATOM 0 H GLU A 13 -17.999 0.452 9.487 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.970 0.640 10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.490 2.852 11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.800 2.576 12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.558 2.648 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.055 3.552 9.602 1.00 0.00 H new ATOM 177 N ALA A 14 -17.239 -0.996 12.424 1.00 0.00 N ATOM 178 CA ALA A 14 -17.174 -1.858 13.598 1.00 0.00 C ATOM 179 C ALA A 14 -17.030 -3.322 13.196 1.00 0.00 C ATOM 180 O ALA A 14 -16.272 -4.074 13.810 1.00 0.00 O ATOM 181 CB ALA A 14 -18.411 -1.665 14.463 1.00 0.00 C ATOM 0 H ALA A 14 -17.820 -1.357 11.667 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.293 -1.579 14.176 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.349 -2.315 15.336 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.470 -0.626 14.787 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.301 -1.916 13.886 1.00 0.00 H new ATOM 187 N THR A 15 -17.764 -3.722 12.162 1.00 0.00 N ATOM 188 CA THR A 15 -17.719 -5.097 11.680 1.00 0.00 C ATOM 189 C THR A 15 -16.777 -5.231 10.489 1.00 0.00 C ATOM 190 O THR A 15 -17.046 -4.703 9.410 1.00 0.00 O ATOM 191 CB THR A 15 -19.119 -5.595 11.272 1.00 0.00 C ATOM 192 OG1 THR A 15 -20.073 -5.259 12.286 1.00 0.00 O ATOM 193 CG2 THR A 15 -19.114 -7.100 11.050 1.00 0.00 C ATOM 0 H THR A 15 -18.396 -3.113 11.643 1.00 0.00 H new ATOM 0 HA THR A 15 -17.349 -5.709 12.503 1.00 0.00 H new ATOM 0 HB THR A 15 -19.397 -5.107 10.338 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.960 -5.577 12.019 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.113 -7.429 10.763 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.408 -7.349 10.257 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.817 -7.603 11.971 1.00 0.00 H new ATOM 201 N TYR A 16 -15.673 -5.942 10.692 1.00 0.00 N ATOM 202 CA TYR A 16 -14.690 -6.144 9.634 1.00 0.00 C ATOM 203 C TYR A 16 -14.530 -7.628 9.317 1.00 0.00 C ATOM 204 O TYR A 16 -14.776 -8.498 10.152 1.00 0.00 O ATOM 205 CB TYR A 16 -13.341 -5.550 10.043 1.00 0.00 C ATOM 206 CG TYR A 16 -13.380 -4.055 10.265 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.942 -3.519 11.418 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.857 -3.178 9.324 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.981 -2.154 11.626 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.890 -1.812 9.524 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.454 -1.305 10.676 1.00 0.00 C ATOM 212 OH TYR A 16 -13.490 0.056 10.878 1.00 0.00 O ATOM 0 H TYR A 16 -15.437 -6.388 11.579 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.047 -5.636 8.738 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -13.002 -6.036 10.958 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.605 -5.775 9.271 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.355 -4.181 12.164 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.417 -3.571 8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.422 -1.754 12.527 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.476 -1.144 8.783 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.077 0.511 10.115 1.00 0.00 H new ATOM 222 N PRO A 17 -14.106 -7.924 8.079 1.00 0.00 N ATOM 223 CA PRO A 17 -13.902 -9.302 7.621 1.00 0.00 C ATOM 224 C PRO A 17 -12.705 -9.965 8.295 1.00 0.00 C ATOM 225 O PRO A 17 -11.635 -9.368 8.412 1.00 0.00 O ATOM 226 CB PRO A 17 -13.649 -9.143 6.120 1.00 0.00 C ATOM 227 CG PRO A 17 -13.117 -7.759 5.970 1.00 0.00 C ATOM 228 CD PRO A 17 -13.794 -6.938 7.031 1.00 0.00 C ATOM 0 HA PRO A 17 -14.753 -9.941 7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.935 -9.883 5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.566 -9.279 5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.034 -7.742 6.095 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.330 -7.365 4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.143 -6.148 7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.695 -6.456 6.652 1.00 0.00 H new ATOM 236 N LYS A 18 -12.893 -11.204 8.737 1.00 0.00 N ATOM 237 CA LYS A 18 -11.829 -11.950 9.398 1.00 0.00 C ATOM 238 C LYS A 18 -10.936 -12.646 8.376 1.00 0.00 C ATOM 239 O LYS A 18 -11.415 -13.149 7.360 1.00 0.00 O ATOM 240 CB LYS A 18 -12.424 -12.983 10.359 1.00 0.00 C ATOM 241 CG LYS A 18 -11.483 -13.380 11.484 1.00 0.00 C ATOM 242 CD LYS A 18 -12.038 -14.541 12.291 1.00 0.00 C ATOM 243 CE LYS A 18 -11.314 -14.692 13.620 1.00 0.00 C ATOM 244 NZ LYS A 18 -9.889 -15.085 13.433 1.00 0.00 N ATOM 0 H LYS A 18 -13.773 -11.713 8.649 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.221 -11.244 9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.341 -12.581 10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.700 -13.874 9.796 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.513 -13.655 11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.318 -12.525 12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.102 -14.385 12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.943 -15.463 11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.363 -13.752 14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.821 -15.442 14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.439 -15.211 14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.842 -15.978 12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.390 -14.341 12.905 1.00 0.00 H new ATOM 258 N ALA A 19 -9.637 -12.673 8.653 1.00 0.00 N ATOM 259 CA ALA A 19 -8.678 -13.311 7.759 1.00 0.00 C ATOM 260 C ALA A 19 -9.001 -14.789 7.573 1.00 0.00 C ATOM 261 O ALA A 19 -8.921 -15.576 8.516 1.00 0.00 O ATOM 262 CB ALA A 19 -7.264 -13.140 8.294 1.00 0.00 C ATOM 0 H ALA A 19 -9.224 -12.260 9.489 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.747 -12.826 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.558 -13.621 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.029 -12.078 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.190 -13.598 9.280 1.00 0.00 H new ATOM 268 N GLY A 20 -9.367 -15.161 6.350 1.00 0.00 N ATOM 269 CA GLY A 20 -9.697 -16.545 6.063 1.00 0.00 C ATOM 270 C GLY A 20 -11.192 -16.781 5.988 1.00 0.00 C ATOM 271 O GLY A 20 -11.637 -17.850 5.572 1.00 0.00 O ATOM 0 H GLY A 20 -9.441 -14.529 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.239 -16.836 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.270 -17.185 6.835 1.00 0.00 H new ATOM 275 N GLN A 21 -11.968 -15.781 6.394 1.00 0.00 N ATOM 276 CA GLN A 21 -13.422 -15.887 6.373 1.00 0.00 C ATOM 277 C GLN A 21 -13.986 -15.383 5.048 1.00 0.00 C ATOM 278 O GLN A 21 -13.278 -14.760 4.257 1.00 0.00 O ATOM 279 CB GLN A 21 -14.029 -15.095 7.533 1.00 0.00 C ATOM 280 CG GLN A 21 -14.166 -15.901 8.814 1.00 0.00 C ATOM 281 CD GLN A 21 -15.337 -15.451 9.665 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.125 -16.270 10.139 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.457 -14.144 9.863 1.00 0.00 N ATOM 0 H GLN A 21 -11.615 -14.889 6.741 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.686 -16.939 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.409 -14.220 7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.012 -14.729 7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.287 -16.955 8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.247 -15.814 9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.780 -13.502 9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.226 -13.782 10.427 1.00 0.00 H new ATOM 292 N VAL A 22 -15.265 -15.658 4.812 1.00 0.00 N ATOM 293 CA VAL A 22 -15.924 -15.233 3.583 1.00 0.00 C ATOM 294 C VAL A 22 -16.634 -13.897 3.774 1.00 0.00 C ATOM 295 O VAL A 22 -17.537 -13.776 4.602 1.00 0.00 O ATOM 296 CB VAL A 22 -16.945 -16.281 3.102 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.613 -15.823 1.814 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.272 -17.632 2.912 1.00 0.00 C ATOM 0 H VAL A 22 -15.865 -16.173 5.456 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.146 -15.123 2.828 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.716 -16.389 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.331 -16.576 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.130 -14.879 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.857 -15.685 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.008 -18.361 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.480 -17.543 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.845 -17.962 3.859 1.00 0.00 H new ATOM 308 N ALA A 23 -16.220 -12.897 3.003 1.00 0.00 N ATOM 309 CA ALA A 23 -16.819 -11.571 3.086 1.00 0.00 C ATOM 310 C ALA A 23 -17.602 -11.242 1.820 1.00 0.00 C ATOM 311 O ALA A 23 -17.233 -11.661 0.723 1.00 0.00 O ATOM 312 CB ALA A 23 -15.744 -10.522 3.332 1.00 0.00 C ATOM 0 H ALA A 23 -15.472 -12.980 2.314 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.516 -11.565 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.205 -9.536 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.230 -10.740 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.026 -10.538 2.512 1.00 0.00 H new ATOM 318 N VAL A 24 -18.687 -10.490 1.979 1.00 0.00 N ATOM 319 CA VAL A 24 -19.523 -10.104 0.849 1.00 0.00 C ATOM 320 C VAL A 24 -19.473 -8.598 0.617 1.00 0.00 C ATOM 321 O VAL A 24 -19.789 -7.811 1.508 1.00 0.00 O ATOM 322 CB VAL A 24 -20.987 -10.532 1.062 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.796 -10.316 -0.208 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.058 -11.984 1.509 1.00 0.00 C ATOM 0 H VAL A 24 -19.007 -10.136 2.880 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.127 -10.616 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.418 -9.913 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.828 -10.624 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.772 -9.261 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.369 -10.909 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.100 -12.269 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.610 -12.622 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.515 -12.103 2.446 1.00 0.00 H new ATOM 334 N VAL A 25 -19.073 -8.204 -0.588 1.00 0.00 N ATOM 335 CA VAL A 25 -18.983 -6.792 -0.939 1.00 0.00 C ATOM 336 C VAL A 25 -19.333 -6.566 -2.406 1.00 0.00 C ATOM 337 O VAL A 25 -19.542 -7.518 -3.159 1.00 0.00 O ATOM 338 CB VAL A 25 -17.572 -6.235 -0.668 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.063 -6.706 0.685 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.616 -6.643 -1.779 1.00 0.00 C ATOM 0 H VAL A 25 -18.806 -8.843 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.701 -6.264 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.627 -5.147 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.065 -6.303 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.737 -6.358 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.022 -7.795 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.624 -6.241 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.563 -7.730 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.975 -6.250 -2.730 1.00 0.00 H new ATOM 350 N HIS A 26 -19.394 -5.300 -2.806 1.00 0.00 N ATOM 351 CA HIS A 26 -19.718 -4.949 -4.185 1.00 0.00 C ATOM 352 C HIS A 26 -18.540 -4.253 -4.859 1.00 0.00 C ATOM 353 O HIS A 26 -18.042 -3.240 -4.369 1.00 0.00 O ATOM 354 CB HIS A 26 -20.952 -4.046 -4.227 1.00 0.00 C ATOM 355 CG HIS A 26 -22.207 -4.765 -4.615 1.00 0.00 C ATOM 356 ND1 HIS A 26 -23.311 -5.072 -3.894 1.00 0.00 N flip ATOM 357 CD2 HIS A 26 -22.429 -5.261 -5.882 1.00 0.00 C flip ATOM 358 CE1 HIS A 26 -24.171 -5.739 -4.730 1.00 0.00 C flip ATOM 359 NE2 HIS A 26 -23.616 -5.840 -5.924 1.00 0.00 N flip ATOM 0 H HIS A 26 -19.224 -4.501 -2.196 1.00 0.00 H new ATOM 0 HA HIS A 26 -19.932 -5.869 -4.728 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.092 -3.590 -3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.775 -3.235 -4.933 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -23.473 -4.849 -2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -21.740 -5.188 -6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -25.144 -6.120 -4.456 1.00 0.00 H new ATOM 367 N TYR A 27 -18.100 -4.804 -5.985 1.00 0.00 N ATOM 368 CA TYR A 27 -16.979 -4.238 -6.725 1.00 0.00 C ATOM 369 C TYR A 27 -17.467 -3.450 -7.936 1.00 0.00 C ATOM 370 O TYR A 27 -18.429 -3.840 -8.600 1.00 0.00 O ATOM 371 CB TYR A 27 -16.025 -5.347 -7.175 1.00 0.00 C ATOM 372 CG TYR A 27 -16.648 -6.322 -8.148 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.754 -6.014 -9.499 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.129 -7.552 -7.717 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.322 -6.902 -10.392 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.697 -8.447 -8.603 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.792 -8.117 -9.939 1.00 0.00 C ATOM 378 OH TYR A 27 -18.358 -9.005 -10.826 1.00 0.00 O ATOM 0 H TYR A 27 -18.503 -5.642 -6.405 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.447 -3.557 -6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.148 -4.895 -7.638 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.677 -5.893 -6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.386 -5.064 -9.857 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.058 -7.813 -6.671 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.398 -6.646 -11.439 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.065 -9.400 -8.252 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.637 -9.813 -10.347 1.00 0.00 H new ATOM 388 N THR A 28 -16.797 -2.337 -8.220 1.00 0.00 N ATOM 389 CA THR A 28 -17.162 -1.493 -9.350 1.00 0.00 C ATOM 390 C THR A 28 -15.927 -1.053 -10.129 1.00 0.00 C ATOM 391 O THR A 28 -15.015 -0.442 -9.572 1.00 0.00 O ATOM 392 CB THR A 28 -17.937 -0.243 -8.891 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.241 -0.618 -8.431 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.063 0.762 -10.025 1.00 0.00 C ATOM 0 H THR A 28 -15.999 -2.000 -7.682 1.00 0.00 H new ATOM 0 HA THR A 28 -17.803 -2.092 -9.997 1.00 0.00 H new ATOM 0 HB THR A 28 -17.384 0.222 -8.075 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.727 0.181 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.614 1.636 -9.677 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.069 1.066 -10.353 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.596 0.305 -10.859 1.00 0.00 H new ATOM 402 N GLY A 29 -15.905 -1.366 -11.421 1.00 0.00 N ATOM 403 CA GLY A 29 -14.777 -0.995 -12.255 1.00 0.00 C ATOM 404 C GLY A 29 -14.639 0.507 -12.408 1.00 0.00 C ATOM 405 O GLY A 29 -15.636 1.227 -12.471 1.00 0.00 O ATOM 0 H GLY A 29 -16.648 -1.870 -11.905 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.861 -1.399 -11.823 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.892 -1.448 -13.239 1.00 0.00 H new ATOM 409 N THR A 30 -13.399 0.983 -12.466 1.00 0.00 N ATOM 410 CA THR A 30 -13.133 2.409 -12.609 1.00 0.00 C ATOM 411 C THR A 30 -11.655 2.669 -12.878 1.00 0.00 C ATOM 412 O THR A 30 -10.786 1.981 -12.340 1.00 0.00 O ATOM 413 CB THR A 30 -13.560 3.189 -11.351 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.067 2.285 -10.363 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.620 4.225 -11.691 1.00 0.00 C ATOM 0 H THR A 30 -12.563 0.401 -12.416 1.00 0.00 H new ATOM 0 HA THR A 30 -13.720 2.756 -13.459 1.00 0.00 H new ATOM 0 HB THR A 30 -12.685 3.705 -10.955 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.324 1.784 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.906 4.763 -10.787 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.220 4.929 -12.421 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.495 3.727 -12.109 1.00 0.00 H new ATOM 423 N LEU A 31 -11.376 3.665 -13.711 1.00 0.00 N ATOM 424 CA LEU A 31 -10.002 4.017 -14.051 1.00 0.00 C ATOM 425 C LEU A 31 -9.522 5.203 -13.220 1.00 0.00 C ATOM 426 O LEU A 31 -10.327 5.951 -12.667 1.00 0.00 O ATOM 427 CB LEU A 31 -9.892 4.345 -15.541 1.00 0.00 C ATOM 428 CG LEU A 31 -9.831 3.147 -16.489 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.754 3.614 -17.934 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.644 2.258 -16.150 1.00 0.00 C ATOM 0 H LEU A 31 -12.083 4.244 -14.164 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.367 3.160 -13.827 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.746 4.961 -15.821 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.999 4.950 -15.694 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.743 2.563 -16.365 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.711 2.748 -18.594 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.636 4.208 -18.172 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.859 4.221 -18.073 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.617 1.411 -16.835 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.722 2.831 -16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.742 1.895 -15.127 1.00 0.00 H new ATOM 442 N ALA A 32 -8.206 5.368 -13.139 1.00 0.00 N ATOM 443 CA ALA A 32 -7.619 6.465 -12.380 1.00 0.00 C ATOM 444 C ALA A 32 -8.102 7.814 -12.903 1.00 0.00 C ATOM 445 O ALA A 32 -8.055 8.819 -12.193 1.00 0.00 O ATOM 446 CB ALA A 32 -6.101 6.390 -12.432 1.00 0.00 C ATOM 0 H ALA A 32 -7.526 4.756 -13.590 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.941 6.370 -11.343 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.676 7.215 -11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.769 5.444 -12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.769 6.457 -13.468 1.00 0.00 H new ATOM 452 N ASP A 33 -8.563 7.830 -14.149 1.00 0.00 N ATOM 453 CA ASP A 33 -9.054 9.056 -14.767 1.00 0.00 C ATOM 454 C ASP A 33 -10.511 9.308 -14.391 1.00 0.00 C ATOM 455 O ASP A 33 -11.031 10.407 -14.580 1.00 0.00 O ATOM 456 CB ASP A 33 -8.912 8.978 -16.288 1.00 0.00 C ATOM 457 CG ASP A 33 -7.533 8.518 -16.718 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.537 9.042 -16.176 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.450 7.634 -17.595 1.00 0.00 O ATOM 0 H ASP A 33 -8.607 7.008 -14.751 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.453 9.887 -14.396 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.661 8.293 -16.685 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.116 9.958 -16.720 1.00 0.00 H new ATOM 464 N GLY A 34 -11.166 8.280 -13.860 1.00 0.00 N ATOM 465 CA GLY A 34 -12.558 8.410 -13.468 1.00 0.00 C ATOM 466 C GLY A 34 -13.487 7.604 -14.354 1.00 0.00 C ATOM 467 O GLY A 34 -14.647 7.380 -14.008 1.00 0.00 O ATOM 0 H GLY A 34 -10.758 7.360 -13.694 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.673 8.084 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.846 9.461 -13.505 1.00 0.00 H new ATOM 471 N LYS A 35 -12.979 7.169 -15.501 1.00 0.00 N ATOM 472 CA LYS A 35 -13.771 6.385 -16.441 1.00 0.00 C ATOM 473 C LYS A 35 -14.422 5.196 -15.743 1.00 0.00 C ATOM 474 O LYS A 35 -13.739 4.273 -15.298 1.00 0.00 O ATOM 475 CB LYS A 35 -12.892 5.894 -17.594 1.00 0.00 C ATOM 476 CG LYS A 35 -13.197 6.569 -18.921 1.00 0.00 C ATOM 477 CD LYS A 35 -12.181 7.651 -19.242 1.00 0.00 C ATOM 478 CE LYS A 35 -12.574 8.986 -18.627 1.00 0.00 C ATOM 479 NZ LYS A 35 -13.044 9.954 -19.656 1.00 0.00 N ATOM 0 H LYS A 35 -12.021 7.346 -15.803 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.558 7.026 -16.839 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.846 6.065 -17.341 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.021 4.817 -17.705 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.200 5.824 -19.717 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.196 7.005 -18.888 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.201 7.353 -18.870 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.093 7.759 -20.323 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.362 8.828 -17.890 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.720 9.407 -18.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.302 10.851 -19.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.284 10.124 -20.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.875 9.564 -20.146 1.00 0.00 H new ATOM 493 N VAL A 36 -15.748 5.223 -15.652 1.00 0.00 N ATOM 494 CA VAL A 36 -16.493 4.145 -15.010 1.00 0.00 C ATOM 495 C VAL A 36 -16.490 2.887 -15.871 1.00 0.00 C ATOM 496 O VAL A 36 -16.509 2.962 -17.100 1.00 0.00 O ATOM 497 CB VAL A 36 -17.950 4.559 -14.731 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.740 4.642 -16.028 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.602 3.586 -13.760 1.00 0.00 C ATOM 0 H VAL A 36 -16.329 5.979 -16.014 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.995 3.935 -14.063 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.948 5.548 -14.273 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.767 4.936 -15.810 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.283 5.381 -16.686 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.737 3.669 -16.519 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.631 3.893 -13.573 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.594 2.584 -14.189 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.048 3.583 -12.821 1.00 0.00 H new ATOM 509 N PHE A 37 -16.465 1.730 -15.217 1.00 0.00 N ATOM 510 CA PHE A 37 -16.459 0.454 -15.922 1.00 0.00 C ATOM 511 C PHE A 37 -17.548 -0.470 -15.384 1.00 0.00 C ATOM 512 O PHE A 37 -18.345 -0.077 -14.532 1.00 0.00 O ATOM 513 CB PHE A 37 -15.092 -0.220 -15.789 1.00 0.00 C ATOM 514 CG PHE A 37 -14.134 0.146 -16.886 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.532 1.394 -16.911 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.836 -0.757 -17.894 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.649 1.734 -17.919 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.954 -0.423 -18.904 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.361 0.824 -18.917 1.00 0.00 C ATOM 0 H PHE A 37 -16.449 1.650 -14.200 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.660 0.649 -16.976 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.654 0.052 -14.829 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.228 -1.301 -15.782 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.755 2.110 -16.134 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.298 -1.733 -17.890 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.185 2.709 -17.926 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.729 -1.137 -19.683 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.673 1.087 -19.707 1.00 0.00 H new ATOM 529 N ASP A 38 -17.576 -1.698 -15.889 1.00 0.00 N ATOM 530 CA ASP A 38 -18.566 -2.679 -15.460 1.00 0.00 C ATOM 531 C ASP A 38 -18.510 -2.884 -13.949 1.00 0.00 C ATOM 532 O ASP A 38 -17.431 -3.014 -13.371 1.00 0.00 O ATOM 533 CB ASP A 38 -18.340 -4.011 -16.176 1.00 0.00 C ATOM 534 CG ASP A 38 -19.620 -4.808 -16.335 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.704 -4.189 -16.371 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.537 -6.051 -16.423 1.00 0.00 O ATOM 0 H ASP A 38 -16.924 -2.038 -16.596 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.554 -2.298 -15.721 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.908 -3.823 -17.159 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.615 -4.602 -15.617 1.00 0.00 H new ATOM 541 N SER A 39 -19.678 -2.909 -13.316 1.00 0.00 N ATOM 542 CA SER A 39 -19.762 -3.093 -11.872 1.00 0.00 C ATOM 543 C SER A 39 -20.644 -4.289 -11.527 1.00 0.00 C ATOM 544 O SER A 39 -21.494 -4.696 -12.318 1.00 0.00 O ATOM 545 CB SER A 39 -20.311 -1.830 -11.207 1.00 0.00 C ATOM 546 OG SER A 39 -21.185 -1.133 -12.079 1.00 0.00 O ATOM 0 H SER A 39 -20.580 -2.804 -13.781 1.00 0.00 H new ATOM 0 HA SER A 39 -18.757 -3.285 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.841 -2.098 -10.293 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.486 -1.179 -10.918 1.00 0.00 H new ATOM 0 HG SER A 39 -21.879 -1.744 -12.404 1.00 0.00 H new ATOM 552 N SER A 40 -20.436 -4.846 -10.338 1.00 0.00 N ATOM 553 CA SER A 40 -21.209 -5.997 -9.887 1.00 0.00 C ATOM 554 C SER A 40 -22.593 -5.568 -9.408 1.00 0.00 C ATOM 555 O SER A 40 -23.501 -6.390 -9.285 1.00 0.00 O ATOM 556 CB SER A 40 -20.471 -6.726 -8.763 1.00 0.00 C ATOM 557 OG SER A 40 -20.568 -8.131 -8.917 1.00 0.00 O ATOM 0 H SER A 40 -19.738 -4.519 -9.670 1.00 0.00 H new ATOM 0 HA SER A 40 -21.330 -6.675 -10.732 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.422 -6.429 -8.760 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.888 -6.433 -7.800 1.00 0.00 H new ATOM 0 HG SER A 40 -19.731 -8.478 -9.292 1.00 0.00 H new ATOM 563 N ARG A 41 -22.744 -4.276 -9.138 1.00 0.00 N ATOM 564 CA ARG A 41 -24.016 -3.737 -8.670 1.00 0.00 C ATOM 565 C ARG A 41 -25.011 -3.615 -9.821 1.00 0.00 C ATOM 566 O ARG A 41 -26.223 -3.585 -9.607 1.00 0.00 O ATOM 567 CB ARG A 41 -23.805 -2.369 -8.018 1.00 0.00 C ATOM 568 CG ARG A 41 -23.048 -1.386 -8.895 1.00 0.00 C ATOM 569 CD ARG A 41 -23.424 0.052 -8.573 1.00 0.00 C ATOM 570 NE ARG A 41 -24.762 0.388 -9.053 1.00 0.00 N ATOM 571 CZ ARG A 41 -25.435 1.464 -8.660 1.00 0.00 C ATOM 572 NH1 ARG A 41 -24.897 2.303 -7.785 1.00 0.00 N ATOM 573 NH2 ARG A 41 -26.648 1.702 -9.142 1.00 0.00 N ATOM 0 H ARG A 41 -22.002 -3.583 -9.235 1.00 0.00 H new ATOM 0 HA ARG A 41 -24.424 -4.426 -7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -24.776 -1.943 -7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -23.261 -2.502 -7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -21.976 -1.523 -8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -23.262 -1.593 -9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -23.376 0.207 -7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -22.697 0.727 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 41 -25.204 -0.238 -9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -23.965 2.123 -7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -25.415 3.128 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -27.065 1.059 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -27.164 2.528 -8.840 1.00 0.00 H new ATOM 587 N THR A 42 -24.490 -3.545 -11.042 1.00 0.00 N ATOM 588 CA THR A 42 -25.331 -3.425 -12.226 1.00 0.00 C ATOM 589 C THR A 42 -26.327 -4.576 -12.312 1.00 0.00 C ATOM 590 O THR A 42 -27.373 -4.458 -12.951 1.00 0.00 O ATOM 591 CB THR A 42 -24.488 -3.394 -13.514 1.00 0.00 C ATOM 592 OG1 THR A 42 -23.539 -2.324 -13.453 1.00 0.00 O ATOM 593 CG2 THR A 42 -25.375 -3.223 -14.738 1.00 0.00 C ATOM 0 H THR A 42 -23.489 -3.569 -11.237 1.00 0.00 H new ATOM 0 HA THR A 42 -25.874 -2.484 -12.133 1.00 0.00 H new ATOM 0 HB THR A 42 -23.959 -4.343 -13.598 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.006 -2.312 -14.275 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.757 -3.204 -15.636 1.00 0.00 H new ATOM 0 HG22 THR A 42 -26.076 -4.055 -14.798 1.00 0.00 H new ATOM 0 HG23 THR A 42 -25.928 -2.287 -14.659 1.00 0.00 H new ATOM 601 N ARG A 43 -25.996 -5.688 -11.664 1.00 0.00 N ATOM 602 CA ARG A 43 -26.862 -6.861 -11.668 1.00 0.00 C ATOM 603 C ARG A 43 -27.530 -7.048 -10.309 1.00 0.00 C ATOM 604 O ARG A 43 -28.229 -8.034 -10.080 1.00 0.00 O ATOM 605 CB ARG A 43 -26.060 -8.112 -12.030 1.00 0.00 C ATOM 606 CG ARG A 43 -25.203 -7.947 -13.275 1.00 0.00 C ATOM 607 CD ARG A 43 -26.053 -7.909 -14.535 1.00 0.00 C ATOM 608 NE ARG A 43 -26.781 -9.158 -14.742 1.00 0.00 N ATOM 609 CZ ARG A 43 -27.735 -9.310 -15.654 1.00 0.00 C ATOM 610 NH1 ARG A 43 -28.073 -8.297 -16.440 1.00 0.00 N ATOM 611 NH2 ARG A 43 -28.352 -10.478 -15.782 1.00 0.00 N ATOM 0 H ARG A 43 -25.135 -5.801 -11.130 1.00 0.00 H new ATOM 0 HA ARG A 43 -27.638 -6.706 -12.417 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -25.418 -8.378 -11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -26.748 -8.944 -12.181 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -24.622 -7.028 -13.199 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -24.491 -8.770 -13.340 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -26.761 -7.083 -14.470 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -25.415 -7.714 -15.397 1.00 0.00 H new ATOM 0 HE ARG A 43 -26.544 -9.957 -14.154 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -27.600 -7.398 -16.345 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -28.806 -8.417 -17.139 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -28.094 -11.260 -15.180 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -29.084 -10.594 -16.482 1.00 0.00 H new ATOM 625 N GLY A 44 -27.309 -6.094 -9.409 1.00 0.00 N ATOM 626 CA GLY A 44 -27.895 -6.173 -8.084 1.00 0.00 C ATOM 627 C GLY A 44 -27.513 -7.446 -7.356 1.00 0.00 C ATOM 628 O GLY A 44 -28.346 -8.066 -6.694 1.00 0.00 O ATOM 0 H GLY A 44 -26.734 -5.268 -9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -27.575 -5.312 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.980 -6.117 -8.166 1.00 0.00 H new ATOM 632 N LYS A 45 -26.250 -7.839 -7.478 1.00 0.00 N ATOM 633 CA LYS A 45 -25.758 -9.047 -6.827 1.00 0.00 C ATOM 634 C LYS A 45 -24.332 -8.851 -6.321 1.00 0.00 C ATOM 635 O LYS A 45 -23.382 -8.741 -7.096 1.00 0.00 O ATOM 636 CB LYS A 45 -25.807 -10.230 -7.796 1.00 0.00 C ATOM 637 CG LYS A 45 -27.089 -11.040 -7.703 1.00 0.00 C ATOM 638 CD LYS A 45 -28.086 -10.630 -8.774 1.00 0.00 C ATOM 639 CE LYS A 45 -28.917 -11.814 -9.245 1.00 0.00 C ATOM 640 NZ LYS A 45 -29.833 -11.442 -10.358 1.00 0.00 N ATOM 0 H LYS A 45 -25.548 -7.338 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 45 -26.403 -9.257 -5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.695 -9.859 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.958 -10.885 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.859 -12.100 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.535 -10.905 -6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -28.745 -9.855 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -27.554 -10.198 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -28.254 -12.615 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -29.500 -12.204 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -30.381 -12.276 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -30.483 -10.695 -10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -29.276 -11.094 -11.164 1.00 0.00 H new ATOM 654 N PRO A 46 -24.177 -8.806 -4.989 1.00 0.00 N ATOM 655 CA PRO A 46 -22.870 -8.625 -4.350 1.00 0.00 C ATOM 656 C PRO A 46 -21.971 -9.845 -4.513 1.00 0.00 C ATOM 657 O PRO A 46 -22.447 -10.980 -4.542 1.00 0.00 O ATOM 658 CB PRO A 46 -23.222 -8.413 -2.876 1.00 0.00 C ATOM 659 CG PRO A 46 -24.536 -9.092 -2.699 1.00 0.00 C ATOM 660 CD PRO A 46 -25.265 -8.931 -4.005 1.00 0.00 C ATOM 0 HA PRO A 46 -22.311 -7.800 -4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -22.463 -8.843 -2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -23.289 -7.352 -2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -24.401 -10.146 -2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -25.099 -8.645 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -25.903 -9.789 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -25.907 -8.050 -4.001 1.00 0.00 H new ATOM 668 N PHE A 47 -20.668 -9.605 -4.619 1.00 0.00 N ATOM 669 CA PHE A 47 -19.702 -10.685 -4.779 1.00 0.00 C ATOM 670 C PHE A 47 -19.087 -11.070 -3.436 1.00 0.00 C ATOM 671 O PHE A 47 -18.589 -10.216 -2.703 1.00 0.00 O ATOM 672 CB PHE A 47 -18.600 -10.272 -5.757 1.00 0.00 C ATOM 673 CG PHE A 47 -17.936 -11.434 -6.439 1.00 0.00 C ATOM 674 CD1 PHE A 47 -18.604 -12.153 -7.417 1.00 0.00 C ATOM 675 CD2 PHE A 47 -16.645 -11.807 -6.102 1.00 0.00 C ATOM 676 CE1 PHE A 47 -17.996 -13.223 -8.047 1.00 0.00 C ATOM 677 CE2 PHE A 47 -16.033 -12.876 -6.729 1.00 0.00 C ATOM 678 CZ PHE A 47 -16.709 -13.585 -7.702 1.00 0.00 C ATOM 0 H PHE A 47 -20.257 -8.672 -4.597 1.00 0.00 H new ATOM 0 HA PHE A 47 -20.228 -11.552 -5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -19.025 -9.612 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.846 -9.697 -5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -19.611 -11.874 -7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.111 -11.257 -5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.527 -13.775 -8.808 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.026 -13.157 -6.458 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.232 -14.421 -8.192 1.00 0.00 H new ATOM 688 N ARG A 48 -19.127 -12.360 -3.122 1.00 0.00 N ATOM 689 CA ARG A 48 -18.577 -12.858 -1.867 1.00 0.00 C ATOM 690 C ARG A 48 -17.391 -13.783 -2.123 1.00 0.00 C ATOM 691 O ARG A 48 -17.354 -14.501 -3.122 1.00 0.00 O ATOM 692 CB ARG A 48 -19.653 -13.599 -1.072 1.00 0.00 C ATOM 693 CG ARG A 48 -20.179 -14.843 -1.770 1.00 0.00 C ATOM 694 CD ARG A 48 -20.343 -16.001 -0.799 1.00 0.00 C ATOM 695 NE ARG A 48 -20.544 -17.271 -1.490 1.00 0.00 N ATOM 696 CZ ARG A 48 -21.667 -17.594 -2.122 1.00 0.00 C ATOM 697 NH1 ARG A 48 -22.684 -16.744 -2.150 1.00 0.00 N ATOM 698 NH2 ARG A 48 -21.774 -18.770 -2.728 1.00 0.00 N ATOM 0 H ARG A 48 -19.534 -13.080 -3.719 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.231 -12.003 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.245 -13.882 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.485 -12.920 -0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.138 -14.621 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.494 -15.130 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.459 -16.070 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.192 -15.807 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.781 -17.947 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.605 -15.839 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.545 -16.995 -2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.994 -19.427 -2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.637 -19.017 -3.213 1.00 0.00 H new ATOM 712 N PHE A 49 -16.422 -13.759 -1.213 1.00 0.00 N ATOM 713 CA PHE A 49 -15.233 -14.594 -1.341 1.00 0.00 C ATOM 714 C PHE A 49 -14.473 -14.665 -0.020 1.00 0.00 C ATOM 715 O PHE A 49 -14.743 -13.899 0.907 1.00 0.00 O ATOM 716 CB PHE A 49 -14.318 -14.051 -2.440 1.00 0.00 C ATOM 717 CG PHE A 49 -13.776 -12.681 -2.147 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.610 -12.524 -1.415 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.433 -11.550 -2.603 1.00 0.00 C ATOM 720 CE1 PHE A 49 -12.111 -11.265 -1.143 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.938 -10.287 -2.334 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.775 -10.145 -1.604 1.00 0.00 C ATOM 0 H PHE A 49 -16.437 -13.171 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.554 -15.600 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.485 -14.740 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.870 -14.021 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.085 -13.396 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.343 -11.656 -3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.202 -11.156 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.460 -9.413 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.385 -9.160 -1.394 1.00 0.00 H new ATOM 732 N THR A 50 -13.521 -15.589 0.061 1.00 0.00 N ATOM 733 CA THR A 50 -12.723 -15.762 1.268 1.00 0.00 C ATOM 734 C THR A 50 -11.567 -14.770 1.309 1.00 0.00 C ATOM 735 O THR A 50 -10.588 -14.911 0.576 1.00 0.00 O ATOM 736 CB THR A 50 -12.161 -17.192 1.370 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.216 -18.146 1.204 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.479 -17.411 2.711 1.00 0.00 C ATOM 0 H THR A 50 -13.284 -16.230 -0.696 1.00 0.00 H new ATOM 0 HA THR A 50 -13.386 -15.579 2.114 1.00 0.00 H new ATOM 0 HB THR A 50 -11.423 -17.326 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.850 -19.053 1.268 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.090 -18.428 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.658 -16.703 2.822 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.200 -17.259 3.515 1.00 0.00 H new ATOM 746 N VAL A 51 -11.686 -13.765 2.171 1.00 0.00 N ATOM 747 CA VAL A 51 -10.649 -12.749 2.310 1.00 0.00 C ATOM 748 C VAL A 51 -9.340 -13.363 2.794 1.00 0.00 C ATOM 749 O VAL A 51 -9.182 -13.661 3.977 1.00 0.00 O ATOM 750 CB VAL A 51 -11.076 -11.640 3.289 1.00 0.00 C ATOM 751 CG1 VAL A 51 -10.071 -10.499 3.276 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.471 -11.137 2.948 1.00 0.00 C ATOM 0 H VAL A 51 -12.491 -13.633 2.784 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.500 -12.313 1.322 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.101 -12.058 4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.390 -9.725 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.091 -10.874 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.010 -10.079 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.757 -10.354 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.475 -10.736 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.181 -11.961 3.015 1.00 0.00 H new ATOM 762 N GLY A 52 -8.402 -13.548 1.869 1.00 0.00 N ATOM 763 CA GLY A 52 -7.118 -14.125 2.221 1.00 0.00 C ATOM 764 C GLY A 52 -6.778 -15.340 1.380 1.00 0.00 C ATOM 765 O GLY A 52 -5.619 -15.751 1.311 1.00 0.00 O ATOM 0 H GLY A 52 -8.509 -13.309 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.339 -13.372 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.126 -14.407 3.274 1.00 0.00 H new ATOM 769 N ARG A 53 -7.790 -15.917 0.741 1.00 0.00 N ATOM 770 CA ARG A 53 -7.593 -17.093 -0.097 1.00 0.00 C ATOM 771 C ARG A 53 -6.993 -16.706 -1.446 1.00 0.00 C ATOM 772 O ARG A 53 -6.816 -15.525 -1.742 1.00 0.00 O ATOM 773 CB ARG A 53 -8.920 -17.824 -0.308 1.00 0.00 C ATOM 774 CG ARG A 53 -9.282 -18.770 0.825 1.00 0.00 C ATOM 775 CD ARG A 53 -8.390 -20.001 0.828 1.00 0.00 C ATOM 776 NE ARG A 53 -8.718 -20.918 -0.260 1.00 0.00 N ATOM 777 CZ ARG A 53 -7.988 -21.984 -0.569 1.00 0.00 C ATOM 778 NH1 ARG A 53 -6.893 -22.265 0.125 1.00 0.00 N ATOM 779 NH2 ARG A 53 -8.351 -22.771 -1.573 1.00 0.00 N ATOM 0 H ARG A 53 -8.755 -15.589 0.788 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.897 -17.758 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.716 -17.088 -0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.870 -18.388 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.190 -18.250 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.324 -19.074 0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.348 -19.694 0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.491 -20.519 1.782 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.554 -20.730 -0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.610 -21.662 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.334 -23.084 -0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.192 -22.558 -2.109 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.789 -23.589 -1.809 1.00 0.00 H new ATOM 793 N GLY A 54 -6.681 -17.711 -2.259 1.00 0.00 N ATOM 794 CA GLY A 54 -6.104 -17.455 -3.566 1.00 0.00 C ATOM 795 C GLY A 54 -7.151 -17.388 -4.660 1.00 0.00 C ATOM 796 O GLY A 54 -6.833 -17.514 -5.841 1.00 0.00 O ATOM 0 H GLY A 54 -6.817 -18.697 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.552 -16.516 -3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.386 -18.240 -3.803 1.00 0.00 H new ATOM 800 N GLU A 55 -8.405 -17.189 -4.265 1.00 0.00 N ATOM 801 CA GLU A 55 -9.503 -17.108 -5.221 1.00 0.00 C ATOM 802 C GLU A 55 -9.642 -15.692 -5.771 1.00 0.00 C ATOM 803 O GLU A 55 -10.158 -15.488 -6.870 1.00 0.00 O ATOM 804 CB GLU A 55 -10.814 -17.543 -4.563 1.00 0.00 C ATOM 805 CG GLU A 55 -10.750 -18.923 -3.931 1.00 0.00 C ATOM 806 CD GLU A 55 -12.076 -19.355 -3.335 1.00 0.00 C ATOM 807 OE1 GLU A 55 -12.367 -18.962 -2.186 1.00 0.00 O ATOM 808 OE2 GLU A 55 -12.823 -20.085 -4.020 1.00 0.00 O ATOM 0 H GLU A 55 -8.685 -17.081 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.280 -17.780 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.086 -16.815 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.607 -17.532 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.441 -19.649 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.988 -18.927 -3.152 1.00 0.00 H new ATOM 815 N VAL A 56 -9.179 -14.715 -4.997 1.00 0.00 N ATOM 816 CA VAL A 56 -9.251 -13.317 -5.406 1.00 0.00 C ATOM 817 C VAL A 56 -7.858 -12.730 -5.602 1.00 0.00 C ATOM 818 O VAL A 56 -6.853 -13.426 -5.452 1.00 0.00 O ATOM 819 CB VAL A 56 -10.012 -12.468 -4.371 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.497 -12.798 -4.398 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.436 -12.681 -2.979 1.00 0.00 C ATOM 0 H VAL A 56 -8.750 -14.866 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.790 -13.292 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.892 -11.416 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.019 -12.188 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.898 -12.589 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.640 -13.853 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.986 -12.073 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.523 -13.733 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.386 -12.390 -2.971 1.00 0.00 H new ATOM 831 N ILE A 57 -7.805 -11.445 -5.938 1.00 0.00 N ATOM 832 CA ILE A 57 -6.535 -10.764 -6.153 1.00 0.00 C ATOM 833 C ILE A 57 -6.077 -10.043 -4.890 1.00 0.00 C ATOM 834 O ILE A 57 -6.879 -9.754 -4.002 1.00 0.00 O ATOM 835 CB ILE A 57 -6.630 -9.747 -7.305 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.788 -8.777 -7.064 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.803 -10.466 -8.635 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.506 -7.368 -7.539 1.00 0.00 C ATOM 0 H ILE A 57 -8.627 -10.855 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.806 -11.531 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.703 -9.175 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.677 -9.152 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.016 -8.754 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.869 -9.733 -9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.948 -11.120 -8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.716 -11.061 -8.611 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.370 -6.736 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.636 -6.974 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.308 -7.378 -8.611 1.00 0.00 H new ATOM 850 N ARG A 58 -4.782 -9.753 -4.817 1.00 0.00 N ATOM 851 CA ARG A 58 -4.216 -9.065 -3.663 1.00 0.00 C ATOM 852 C ARG A 58 -4.987 -7.783 -3.363 1.00 0.00 C ATOM 853 O ARG A 58 -5.315 -7.498 -2.212 1.00 0.00 O ATOM 854 CB ARG A 58 -2.742 -8.741 -3.908 1.00 0.00 C ATOM 855 CG ARG A 58 -1.872 -9.971 -4.108 1.00 0.00 C ATOM 856 CD ARG A 58 -1.371 -10.521 -2.781 1.00 0.00 C ATOM 857 NE ARG A 58 -0.162 -11.324 -2.944 1.00 0.00 N ATOM 858 CZ ARG A 58 0.332 -12.109 -1.992 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.276 -12.195 -0.817 1.00 0.00 N ATOM 860 NH2 ARG A 58 1.437 -12.809 -2.216 1.00 0.00 N ATOM 0 H ARG A 58 -4.105 -9.984 -5.544 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.296 -9.727 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.661 -8.102 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.359 -8.169 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.442 -10.740 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.022 -9.718 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.169 -9.695 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.151 -11.129 -2.323 1.00 0.00 H new ATOM 0 HE ARG A 58 0.330 -11.280 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.125 -11.658 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.105 -12.798 -0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.907 -12.745 -3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.816 -13.411 -1.485 1.00 0.00 H new ATOM 874 N GLY A 59 -5.274 -7.012 -4.408 1.00 0.00 N ATOM 875 CA GLY A 59 -6.003 -5.770 -4.236 1.00 0.00 C ATOM 876 C GLY A 59 -7.259 -5.945 -3.405 1.00 0.00 C ATOM 877 O GLY A 59 -7.420 -5.302 -2.368 1.00 0.00 O ATOM 0 H GLY A 59 -5.014 -7.226 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.355 -5.035 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.271 -5.371 -5.214 1.00 0.00 H new ATOM 881 N TRP A 60 -8.151 -6.816 -3.862 1.00 0.00 N ATOM 882 CA TRP A 60 -9.400 -7.072 -3.154 1.00 0.00 C ATOM 883 C TRP A 60 -9.132 -7.602 -1.750 1.00 0.00 C ATOM 884 O TRP A 60 -9.794 -7.207 -0.790 1.00 0.00 O ATOM 885 CB TRP A 60 -10.257 -8.071 -3.934 1.00 0.00 C ATOM 886 CG TRP A 60 -11.060 -7.436 -5.029 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.955 -6.153 -5.484 1.00 0.00 C ATOM 888 CD2 TRP A 60 -12.092 -8.056 -5.805 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.860 -5.938 -6.496 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.568 -7.090 -6.712 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.658 -9.334 -5.822 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.584 -7.363 -7.625 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -13.666 -9.603 -6.728 1.00 0.00 C ATOM 894 CH2 TRP A 60 -14.120 -8.622 -7.620 1.00 0.00 C ATOM 0 H TRP A 60 -8.033 -7.357 -4.719 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.940 -6.129 -3.069 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.610 -8.836 -4.364 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.933 -8.576 -3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.263 -5.416 -5.105 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.984 -5.062 -7.004 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -12.314 -10.097 -5.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.936 -6.608 -8.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -14.112 -10.586 -6.749 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.908 -8.864 -8.317 1.00 0.00 H new ATOM 905 N ASP A 61 -8.157 -8.497 -1.637 1.00 0.00 N ATOM 906 CA ASP A 61 -7.800 -9.080 -0.349 1.00 0.00 C ATOM 907 C ASP A 61 -7.593 -7.993 0.701 1.00 0.00 C ATOM 908 O ASP A 61 -8.326 -7.923 1.688 1.00 0.00 O ATOM 909 CB ASP A 61 -6.532 -9.926 -0.481 1.00 0.00 C ATOM 910 CG ASP A 61 -6.426 -10.983 0.600 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.263 -10.970 1.526 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.506 -11.824 0.519 1.00 0.00 O ATOM 0 H ASP A 61 -7.600 -8.835 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.622 -9.719 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.520 -10.408 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.658 -9.276 -0.436 1.00 0.00 H new ATOM 917 N GLU A 62 -6.591 -7.148 0.482 1.00 0.00 N ATOM 918 CA GLU A 62 -6.288 -6.065 1.411 1.00 0.00 C ATOM 919 C GLU A 62 -7.405 -5.026 1.419 1.00 0.00 C ATOM 920 O GLU A 62 -7.853 -4.588 2.477 1.00 0.00 O ATOM 921 CB GLU A 62 -4.961 -5.401 1.039 1.00 0.00 C ATOM 922 CG GLU A 62 -4.912 -4.899 -0.394 1.00 0.00 C ATOM 923 CD GLU A 62 -3.534 -5.035 -1.013 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.571 -5.301 -0.264 1.00 0.00 O ATOM 925 OE2 GLU A 62 -3.419 -4.876 -2.246 1.00 0.00 O ATOM 0 H GLU A 62 -5.975 -7.192 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.205 -6.491 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.781 -4.565 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.152 -6.115 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.632 -5.455 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.216 -3.852 -0.419 1.00 0.00 H new ATOM 932 N GLY A 63 -7.850 -4.635 0.228 1.00 0.00 N ATOM 933 CA GLY A 63 -8.910 -3.650 0.119 1.00 0.00 C ATOM 934 C GLY A 63 -10.094 -3.971 1.009 1.00 0.00 C ATOM 935 O GLY A 63 -10.487 -3.161 1.849 1.00 0.00 O ATOM 0 H GLY A 63 -7.495 -4.983 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.517 -2.668 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.243 -3.593 -0.917 1.00 0.00 H new ATOM 939 N VAL A 64 -10.665 -5.157 0.825 1.00 0.00 N ATOM 940 CA VAL A 64 -11.812 -5.584 1.618 1.00 0.00 C ATOM 941 C VAL A 64 -11.408 -5.873 3.059 1.00 0.00 C ATOM 942 O VAL A 64 -12.192 -5.677 3.986 1.00 0.00 O ATOM 943 CB VAL A 64 -12.472 -6.841 1.020 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.605 -8.067 1.264 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.864 -7.039 1.599 1.00 0.00 C ATOM 0 H VAL A 64 -10.352 -5.839 0.134 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.529 -4.763 1.602 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.568 -6.702 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.087 -8.945 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.631 -7.923 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.474 -8.213 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.315 -7.931 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.795 -7.156 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.481 -6.171 1.367 1.00 0.00 H new ATOM 955 N ALA A 65 -10.177 -6.341 3.240 1.00 0.00 N ATOM 956 CA ALA A 65 -9.666 -6.655 4.569 1.00 0.00 C ATOM 957 C ALA A 65 -9.724 -5.434 5.481 1.00 0.00 C ATOM 958 O ALA A 65 -9.984 -5.556 6.678 1.00 0.00 O ATOM 959 CB ALA A 65 -8.241 -7.180 4.476 1.00 0.00 C ATOM 0 H ALA A 65 -9.515 -6.511 2.483 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.299 -7.430 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.872 -7.410 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.225 -8.083 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.603 -6.423 4.020 1.00 0.00 H new ATOM 965 N GLN A 66 -9.480 -4.260 4.908 1.00 0.00 N ATOM 966 CA GLN A 66 -9.504 -3.019 5.672 1.00 0.00 C ATOM 967 C GLN A 66 -10.814 -2.270 5.453 1.00 0.00 C ATOM 968 O GLN A 66 -10.869 -1.046 5.573 1.00 0.00 O ATOM 969 CB GLN A 66 -8.323 -2.130 5.277 1.00 0.00 C ATOM 970 CG GLN A 66 -6.968 -2.769 5.534 1.00 0.00 C ATOM 971 CD GLN A 66 -5.860 -2.139 4.712 1.00 0.00 C ATOM 972 OE1 GLN A 66 -4.960 -1.496 5.252 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.921 -2.322 3.398 1.00 0.00 N ATOM 0 H GLN A 66 -9.264 -4.142 3.918 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.423 -3.271 6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.404 -1.882 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.384 -1.192 5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.724 -2.682 6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.024 -3.834 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.686 -2.862 2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.203 -1.922 2.794 1.00 0.00 H new ATOM 982 N MET A 67 -11.868 -3.013 5.132 1.00 0.00 N ATOM 983 CA MET A 67 -13.179 -2.419 4.898 1.00 0.00 C ATOM 984 C MET A 67 -14.160 -2.815 5.997 1.00 0.00 C ATOM 985 O MET A 67 -13.994 -3.847 6.648 1.00 0.00 O ATOM 986 CB MET A 67 -13.722 -2.850 3.534 1.00 0.00 C ATOM 987 CG MET A 67 -13.124 -2.078 2.370 1.00 0.00 C ATOM 988 SD MET A 67 -14.098 -0.628 1.924 1.00 0.00 S ATOM 989 CE MET A 67 -15.535 -1.400 1.184 1.00 0.00 C ATOM 0 H MET A 67 -11.840 -4.027 5.028 1.00 0.00 H new ATOM 0 HA MET A 67 -13.066 -1.335 4.910 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.526 -3.913 3.393 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.804 -2.722 3.526 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.112 -1.766 2.628 1.00 0.00 H new ATOM 0 HG3 MET A 67 -13.044 -2.737 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.120 -0.648 0.654 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.214 -2.170 0.483 1.00 0.00 H new ATOM 0 HE3 MET A 67 -16.147 -1.852 1.964 1.00 0.00 H new ATOM 999 N SER A 68 -15.181 -1.988 6.200 1.00 0.00 N ATOM 1000 CA SER A 68 -16.185 -2.250 7.223 1.00 0.00 C ATOM 1001 C SER A 68 -17.569 -2.408 6.599 1.00 0.00 C ATOM 1002 O SER A 68 -17.888 -1.766 5.598 1.00 0.00 O ATOM 1003 CB SER A 68 -16.204 -1.117 8.252 1.00 0.00 C ATOM 1004 OG SER A 68 -16.168 0.149 7.617 1.00 0.00 O ATOM 0 H SER A 68 -15.334 -1.131 5.669 1.00 0.00 H new ATOM 0 HA SER A 68 -15.922 -3.182 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.101 -1.194 8.866 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.350 -1.216 8.922 1.00 0.00 H new ATOM 0 HG SER A 68 -15.279 0.297 7.232 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.386 -3.268 7.198 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.736 -3.511 6.703 1.00 0.00 C ATOM 1012 C VAL A 69 -20.494 -2.203 6.509 1.00 0.00 C ATOM 1013 O VAL A 69 -20.623 -1.404 7.436 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.532 -4.415 7.663 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.961 -4.589 7.171 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.844 -5.763 7.817 1.00 0.00 C ATOM 0 H VAL A 69 -18.137 -3.808 8.027 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.634 -4.015 5.742 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.566 -3.936 8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.508 -5.231 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.448 -3.615 7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.952 -5.046 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.419 -6.389 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.777 -6.251 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.841 -5.616 8.218 1.00 0.00 H new ATOM 1026 N GLY A 70 -20.996 -1.990 5.296 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.736 -0.777 5.002 1.00 0.00 C ATOM 1028 C GLY A 70 -20.828 0.390 4.668 1.00 0.00 C ATOM 1029 O GLY A 70 -21.266 1.540 4.654 1.00 0.00 O ATOM 0 H GLY A 70 -20.903 -2.636 4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.410 -0.960 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.356 -0.517 5.860 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.560 0.093 4.401 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.588 1.128 4.069 1.00 0.00 C ATOM 1035 C GLN A 71 -18.230 1.083 2.587 1.00 0.00 C ATOM 1036 O GLN A 71 -17.995 0.012 2.028 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.325 0.962 4.916 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.533 2.248 5.085 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.034 2.019 5.049 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.414 1.730 6.072 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.444 2.147 3.866 1.00 0.00 N ATOM 0 H GLN A 71 -19.182 -0.854 4.408 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.038 2.097 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.604 0.585 5.900 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.685 0.209 4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.809 2.947 4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.803 2.715 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.997 2.388 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.438 2.004 3.780 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.192 2.252 1.957 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.865 2.346 0.539 1.00 0.00 C ATOM 1052 C ARG A 72 -16.597 3.168 0.327 1.00 0.00 C ATOM 1053 O ARG A 72 -16.421 4.224 0.934 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.027 2.972 -0.234 1.00 0.00 C ATOM 1055 CG ARG A 72 -19.038 2.614 -1.712 1.00 0.00 C ATOM 1056 CD ARG A 72 -20.439 2.700 -2.295 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.478 2.274 -3.691 1.00 0.00 N ATOM 1058 CZ ARG A 72 -21.481 2.551 -4.517 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -22.522 3.251 -4.088 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.443 2.129 -5.774 1.00 0.00 N ATOM 0 H ARG A 72 -18.384 3.148 2.406 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.690 1.337 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.967 2.651 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.978 4.056 -0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.375 3.287 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.648 1.605 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -21.115 2.079 -1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.801 3.725 -2.219 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.692 1.734 -4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -22.554 3.578 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -23.291 3.463 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.643 1.591 -6.107 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.214 2.342 -6.407 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.716 2.676 -0.538 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.466 3.366 -0.831 1.00 0.00 C ATOM 1076 C ALA A 73 -13.871 2.886 -2.150 1.00 0.00 C ATOM 1077 O ALA A 73 -14.275 1.854 -2.688 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.473 3.163 0.303 1.00 0.00 C ATOM 0 H ALA A 73 -15.845 1.802 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.680 4.431 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.544 3.684 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.891 3.561 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.272 2.099 0.424 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.907 3.640 -2.669 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.255 3.292 -3.925 1.00 0.00 C ATOM 1086 C LYS A 74 -10.983 2.488 -3.674 1.00 0.00 C ATOM 1087 O LYS A 74 -10.207 2.802 -2.770 1.00 0.00 O ATOM 1088 CB LYS A 74 -11.922 4.558 -4.718 1.00 0.00 C ATOM 1089 CG LYS A 74 -13.003 5.622 -4.648 1.00 0.00 C ATOM 1090 CD LYS A 74 -12.671 6.814 -5.530 1.00 0.00 C ATOM 1091 CE LYS A 74 -13.229 6.642 -6.934 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.257 5.966 -7.838 1.00 0.00 N ATOM 0 H LYS A 74 -12.560 4.497 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.944 2.677 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.988 4.976 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.755 4.290 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.957 5.194 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.122 5.954 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.078 7.722 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.590 6.941 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.150 6.060 -6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.488 7.618 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.489 6.190 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.295 6.299 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.307 4.937 -7.695 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.776 1.452 -4.478 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.597 0.603 -4.343 1.00 0.00 C ATOM 1108 C LEU A 75 -8.661 0.777 -5.535 1.00 0.00 C ATOM 1109 O LEU A 75 -8.831 0.132 -6.570 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.012 -0.864 -4.216 1.00 0.00 C ATOM 1111 CG LEU A 75 -8.959 -1.812 -3.642 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.639 -1.445 -2.201 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.434 -3.255 -3.734 1.00 0.00 C ATOM 0 H LEU A 75 -11.409 1.179 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.065 0.903 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.901 -0.916 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.299 -1.226 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.048 -1.712 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.888 -2.131 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.256 -0.425 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.544 -1.516 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.672 -3.916 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.359 -3.370 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.611 -3.514 -4.778 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.672 1.652 -5.382 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.707 1.909 -6.444 1.00 0.00 C ATOM 1127 C VAL A 76 -5.396 1.175 -6.185 1.00 0.00 C ATOM 1128 O VAL A 76 -4.580 1.609 -5.372 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.419 3.415 -6.589 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.087 4.028 -5.237 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.290 3.648 -7.582 1.00 0.00 C ATOM 0 H VAL A 76 -7.518 2.195 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.150 1.541 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.315 3.904 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.886 5.092 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.930 3.893 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.206 3.538 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.100 4.717 -7.672 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.388 3.147 -7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.573 3.246 -8.555 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.201 0.060 -6.882 1.00 0.00 N ATOM 1142 CA CYS A 77 -3.989 -0.736 -6.727 1.00 0.00 C ATOM 1143 C CYS A 77 -3.330 -0.990 -8.079 1.00 0.00 C ATOM 1144 O CYS A 77 -3.953 -0.821 -9.126 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.311 -2.066 -6.044 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.657 -2.988 -6.823 1.00 0.00 S ATOM 0 H CYS A 77 -5.867 -0.312 -7.559 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.293 -0.176 -6.103 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.415 -2.686 -6.040 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.571 -1.874 -5.003 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.364 -4.254 -6.838 1.00 0.00 H new ATOM 1152 N SER A 78 -2.064 -1.396 -8.047 1.00 0.00 N ATOM 1153 CA SER A 78 -1.318 -1.668 -9.270 1.00 0.00 C ATOM 1154 C SER A 78 -1.739 -3.003 -9.877 1.00 0.00 C ATOM 1155 O SER A 78 -2.415 -3.816 -9.246 1.00 0.00 O ATOM 1156 CB SER A 78 0.185 -1.676 -8.984 1.00 0.00 C ATOM 1157 OG SER A 78 0.816 -0.535 -9.539 1.00 0.00 O ATOM 0 H SER A 78 -1.534 -1.544 -7.188 1.00 0.00 H new ATOM 0 HA SER A 78 -1.540 -0.877 -9.986 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.353 -1.701 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.632 -2.580 -9.397 1.00 0.00 H new ATOM 0 HG SER A 78 1.775 -0.563 -9.341 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.330 -3.236 -11.133 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.652 -4.471 -11.854 1.00 0.00 C ATOM 1165 C PRO A 79 -0.919 -5.681 -11.287 1.00 0.00 C ATOM 1166 O PRO A 79 -1.365 -6.818 -11.442 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.181 -4.181 -13.282 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.117 -3.149 -13.127 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.521 -2.312 -11.946 1.00 0.00 C ATOM 0 HA PRO A 79 -2.711 -4.721 -11.782 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.794 -5.080 -13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.999 -3.816 -13.903 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.855 -3.613 -12.962 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.031 -2.539 -14.026 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.347 -1.948 -11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.095 -1.437 -12.251 1.00 0.00 H new ATOM 1177 N ASP A 80 0.208 -5.430 -10.629 1.00 0.00 N ATOM 1178 CA ASP A 80 1.002 -6.500 -10.037 1.00 0.00 C ATOM 1179 C ASP A 80 0.217 -7.219 -8.944 1.00 0.00 C ATOM 1180 O ASP A 80 0.473 -8.386 -8.647 1.00 0.00 O ATOM 1181 CB ASP A 80 2.304 -5.939 -9.462 1.00 0.00 C ATOM 1182 CG ASP A 80 3.107 -5.168 -10.491 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.452 -5.757 -11.537 1.00 0.00 O ATOM 1184 OD2 ASP A 80 3.389 -3.976 -10.250 1.00 0.00 O ATOM 0 H ASP A 80 0.592 -4.495 -10.492 1.00 0.00 H new ATOM 0 HA ASP A 80 1.240 -7.219 -10.821 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.074 -5.285 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.909 -6.758 -9.073 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.739 -6.514 -8.348 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.559 -7.084 -7.286 1.00 0.00 C ATOM 1191 C TYR A 81 -2.964 -7.398 -7.791 1.00 0.00 C ATOM 1192 O TYR A 81 -3.875 -7.656 -7.006 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.635 -6.121 -6.100 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.501 -6.285 -5.113 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.778 -6.618 -5.543 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.707 -6.105 -3.751 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.816 -6.770 -4.646 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.326 -6.253 -2.846 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.586 -6.586 -3.298 1.00 0.00 C ATOM 1200 OH TYR A 81 2.618 -6.734 -2.401 1.00 0.00 O ATOM 0 H TYR A 81 -0.965 -5.547 -8.583 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.093 -8.014 -6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.635 -5.097 -6.474 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.582 -6.271 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.963 -6.760 -6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.692 -5.845 -3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.803 -7.032 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.148 -6.109 -1.791 1.00 0.00 H new ATOM 0 HH TYR A 81 2.288 -6.569 -1.493 1.00 0.00 H new ATOM 1210 N ALA A 82 -3.130 -7.374 -9.110 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.422 -7.658 -9.722 1.00 0.00 C ATOM 1212 C ALA A 82 -4.250 -8.264 -11.111 1.00 0.00 C ATOM 1213 O ALA A 82 -3.157 -8.694 -11.480 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.261 -6.392 -9.796 1.00 0.00 C ATOM 0 H ALA A 82 -2.386 -7.161 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.939 -8.387 -9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.223 -6.619 -10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.422 -6.003 -8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.740 -5.645 -10.395 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.336 -8.295 -11.876 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.305 -8.850 -13.224 1.00 0.00 C ATOM 1222 C TYR A 83 -5.022 -7.763 -14.255 1.00 0.00 C ATOM 1223 O TYR A 83 -5.251 -7.949 -15.450 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.633 -9.539 -13.544 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.846 -8.743 -13.119 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.096 -7.484 -13.650 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.743 -9.251 -12.187 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.203 -6.753 -13.265 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.854 -8.527 -11.797 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.079 -7.279 -12.338 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.183 -6.554 -11.952 1.00 0.00 O ATOM 0 H TYR A 83 -6.248 -7.942 -11.586 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.501 -9.585 -13.269 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.688 -9.724 -14.617 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.656 -10.511 -13.052 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.413 -7.069 -14.377 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.569 -10.228 -11.760 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.382 -5.775 -13.687 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.542 -8.937 -11.072 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.054 -5.612 -12.188 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.522 -6.625 -13.784 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.214 -5.523 -14.677 1.00 0.00 C ATOM 1243 C GLY A 84 -3.039 -5.824 -15.585 1.00 0.00 C ATOM 1244 O GLY A 84 -2.904 -5.230 -16.655 1.00 0.00 O ATOM 0 H GLY A 84 -4.325 -6.446 -12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.090 -5.296 -15.285 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.995 -4.632 -14.088 1.00 0.00 H new ATOM 1248 N SER A 85 -2.183 -6.747 -15.158 1.00 0.00 N ATOM 1249 CA SER A 85 -1.010 -7.122 -15.938 1.00 0.00 C ATOM 1250 C SER A 85 -1.390 -7.412 -17.387 1.00 0.00 C ATOM 1251 O SER A 85 -1.071 -6.639 -18.290 1.00 0.00 O ATOM 1252 CB SER A 85 -0.332 -8.347 -15.322 1.00 0.00 C ATOM 1253 OG SER A 85 -1.277 -9.183 -14.677 1.00 0.00 O ATOM 0 H SER A 85 -2.280 -7.249 -14.275 1.00 0.00 H new ATOM 0 HA SER A 85 -0.313 -6.284 -15.924 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.185 -8.910 -16.099 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.424 -8.026 -14.605 1.00 0.00 H new ATOM 0 HG SER A 85 -0.819 -9.959 -14.293 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.075 -8.531 -17.600 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.498 -8.924 -18.938 1.00 0.00 C ATOM 1261 C ARG A 86 -3.562 -7.971 -19.474 1.00 0.00 C ATOM 1262 O ARG A 86 -3.377 -7.341 -20.514 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.040 -10.355 -18.924 1.00 0.00 C ATOM 1264 CG ARG A 86 -2.948 -11.054 -20.271 1.00 0.00 C ATOM 1265 CD ARG A 86 -4.142 -10.724 -21.153 1.00 0.00 C ATOM 1266 NE ARG A 86 -4.084 -11.421 -22.435 1.00 0.00 N ATOM 1267 CZ ARG A 86 -3.234 -11.104 -23.405 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -2.375 -10.107 -23.239 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -3.242 -11.784 -24.544 1.00 0.00 N ATOM 0 H ARG A 86 -2.349 -9.181 -16.863 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.630 -8.877 -19.595 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.489 -10.936 -18.184 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.082 -10.337 -18.604 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.029 -10.756 -20.775 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.893 -12.132 -20.120 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.062 -10.995 -20.634 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.179 -9.648 -21.326 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.731 -12.193 -22.594 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.366 -9.582 -22.365 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.723 -9.866 -23.986 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.901 -12.551 -24.675 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.589 -11.540 -25.288 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.676 -7.871 -18.756 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.753 -6.993 -19.175 1.00 0.00 C ATOM 1285 C GLY A 87 -6.387 -7.436 -20.479 1.00 0.00 C ATOM 1286 O GLY A 87 -6.131 -8.540 -20.959 1.00 0.00 O ATOM 0 H GLY A 87 -4.852 -8.382 -17.891 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.515 -6.961 -18.396 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.369 -5.979 -19.287 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.219 -6.573 -21.054 1.00 0.00 N ATOM 1291 CA HIS A 88 -7.893 -6.881 -22.310 1.00 0.00 C ATOM 1292 C HIS A 88 -8.168 -5.609 -23.106 1.00 0.00 C ATOM 1293 O HIS A 88 -8.229 -4.507 -22.559 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.204 -7.622 -22.041 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.105 -9.104 -22.237 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.531 -9.948 -21.311 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.513 -9.891 -23.260 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.588 -11.191 -21.756 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.181 -11.183 -22.937 1.00 0.00 N ATOM 0 H HIS A 88 -7.442 -5.655 -20.670 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.236 -7.521 -22.899 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.523 -7.419 -21.019 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.977 -7.227 -22.700 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.125 -9.658 -20.421 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.008 -9.563 -24.162 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.214 -12.064 -21.242 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.338 -5.762 -24.427 1.00 0.00 N ATOM 1308 CA PRO A 89 -8.609 -4.636 -25.326 1.00 0.00 C ATOM 1309 C PRO A 89 -10.001 -4.048 -25.116 1.00 0.00 C ATOM 1310 O PRO A 89 -11.008 -4.720 -25.334 1.00 0.00 O ATOM 1311 CB PRO A 89 -8.497 -5.260 -26.719 1.00 0.00 C ATOM 1312 CG PRO A 89 -8.801 -6.703 -26.514 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.280 -7.046 -25.146 1.00 0.00 C ATOM 0 HA PRO A 89 -7.922 -3.806 -25.159 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.200 -4.803 -27.415 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.499 -5.121 -27.136 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.873 -6.889 -26.581 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.322 -7.315 -27.279 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.893 -7.806 -24.661 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.263 -7.437 -25.189 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.048 -2.789 -24.691 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.322 -2.133 -24.459 1.00 0.00 C ATOM 1323 C GLY A 90 -11.900 -2.455 -23.096 1.00 0.00 C ATOM 1324 O GLY A 90 -13.031 -2.076 -22.787 1.00 0.00 O ATOM 0 H GLY A 90 -9.228 -2.212 -24.503 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.194 -1.054 -24.550 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.029 -2.436 -25.231 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.125 -3.158 -22.276 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.567 -3.532 -20.938 1.00 0.00 C ATOM 1330 C VAL A 91 -10.527 -3.153 -19.890 1.00 0.00 C ATOM 1331 O VAL A 91 -10.807 -2.376 -18.976 1.00 0.00 O ATOM 1332 CB VAL A 91 -11.850 -5.043 -20.843 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.405 -5.397 -19.471 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -12.807 -5.476 -21.943 1.00 0.00 C ATOM 0 H VAL A 91 -10.187 -3.480 -22.515 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.489 -2.985 -20.744 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.911 -5.580 -20.978 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.599 -6.469 -19.422 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.680 -5.124 -18.704 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.334 -4.852 -19.303 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.996 -6.546 -21.861 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.747 -4.933 -21.842 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.365 -5.259 -22.916 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.327 -3.707 -20.027 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.245 -3.426 -19.093 1.00 0.00 C ATOM 1346 C ILE A 92 -6.943 -3.132 -19.831 1.00 0.00 C ATOM 1347 O ILE A 92 -6.556 -3.838 -20.762 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.018 -4.601 -18.124 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.288 -4.878 -17.317 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.849 -4.305 -17.196 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.161 -6.055 -16.375 1.00 0.00 C ATOM 0 H ILE A 92 -9.080 -4.353 -20.776 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.543 -2.547 -18.522 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.778 -5.491 -18.706 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.544 -3.988 -16.742 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.113 -5.061 -18.005 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.701 -5.145 -16.517 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.945 -4.152 -17.786 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.062 -3.405 -16.619 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.098 -6.193 -15.836 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.935 -6.955 -16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.358 -5.866 -15.663 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.250 -2.065 -19.406 1.00 0.00 N ATOM 1364 CA PRO A 93 -4.980 -1.654 -20.012 1.00 0.00 C ATOM 1365 C PRO A 93 -3.850 -2.632 -19.708 1.00 0.00 C ATOM 1366 O PRO A 93 -3.911 -3.413 -18.759 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.701 -0.296 -19.363 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.427 -0.340 -18.063 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.653 -1.178 -18.302 1.00 0.00 C ATOM 0 HA PRO A 93 -5.040 -1.618 -21.100 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.632 -0.141 -19.214 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.058 0.522 -19.988 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.803 -0.775 -17.282 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.698 0.663 -17.733 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.932 -1.744 -17.413 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.512 -0.565 -18.573 1.00 0.00 H new ATOM 1377 N PRO A 94 -2.792 -2.589 -20.532 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.627 -3.464 -20.370 1.00 0.00 C ATOM 1379 C PRO A 94 -0.804 -3.112 -19.135 1.00 0.00 C ATOM 1380 O PRO A 94 -0.027 -2.159 -19.147 1.00 0.00 O ATOM 1381 CB PRO A 94 -0.815 -3.213 -21.643 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.210 -1.844 -22.080 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.651 -1.682 -21.683 1.00 0.00 C ATOM 0 HA PRO A 94 -1.916 -4.506 -20.231 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.256 -3.273 -21.448 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.041 -3.954 -22.410 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.587 -1.087 -21.604 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.086 -1.727 -23.157 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.880 -0.651 -21.413 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.325 -1.956 -22.495 1.00 0.00 H new ATOM 1391 N ASN A 95 -0.981 -3.889 -18.071 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.254 -3.658 -16.828 1.00 0.00 C ATOM 1393 C ASN A 95 -0.338 -2.193 -16.412 1.00 0.00 C ATOM 1394 O ASN A 95 0.673 -1.492 -16.362 1.00 0.00 O ATOM 1395 CB ASN A 95 1.211 -4.072 -16.985 1.00 0.00 C ATOM 1396 CG ASN A 95 1.376 -5.287 -17.877 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.436 -6.420 -17.397 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.450 -5.057 -19.183 1.00 0.00 N ATOM 0 H ASN A 95 -1.621 -4.683 -18.045 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.715 -4.265 -16.049 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.778 -3.239 -17.401 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.633 -4.286 -16.003 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.561 -5.836 -19.832 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.396 -4.102 -19.536 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.550 -1.736 -16.115 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.766 -0.355 -15.701 1.00 0.00 C ATOM 1407 C ALA A 96 -2.586 -0.289 -14.417 1.00 0.00 C ATOM 1408 O ALA A 96 -3.409 -1.164 -14.147 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.454 0.426 -16.810 1.00 0.00 C ATOM 0 H ALA A 96 -2.398 -2.302 -16.153 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.794 0.096 -15.503 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.609 1.456 -16.488 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.830 0.416 -17.703 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.417 -0.033 -17.035 1.00 0.00 H new ATOM 1415 N THR A 97 -2.356 0.755 -13.626 1.00 0.00 N ATOM 1416 CA THR A 97 -3.072 0.934 -12.369 1.00 0.00 C ATOM 1417 C THR A 97 -4.580 0.913 -12.588 1.00 0.00 C ATOM 1418 O THR A 97 -5.078 1.409 -13.600 1.00 0.00 O ATOM 1419 CB THR A 97 -2.682 2.258 -11.685 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.324 2.588 -11.994 1.00 0.00 O ATOM 1421 CG2 THR A 97 -2.856 2.159 -10.177 1.00 0.00 C ATOM 0 H THR A 97 -1.679 1.489 -13.834 1.00 0.00 H new ATOM 0 HA THR A 97 -2.790 0.103 -11.723 1.00 0.00 H new ATOM 0 HB THR A 97 -3.339 3.043 -12.060 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.085 3.432 -11.557 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.575 3.105 -9.715 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.898 1.937 -9.945 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.221 1.363 -9.789 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.303 0.337 -11.634 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.757 0.251 -11.722 1.00 0.00 C ATOM 1431 C LEU A 98 -7.407 0.651 -10.401 1.00 0.00 C ATOM 1432 O LEU A 98 -6.866 0.390 -9.326 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.182 -1.168 -12.104 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.365 -1.839 -13.208 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.696 -3.321 -13.291 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.614 -1.159 -14.546 1.00 0.00 C ATOM 0 H LEU A 98 -4.906 -0.077 -10.791 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.091 0.944 -12.495 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.133 -1.793 -11.212 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.226 -1.141 -12.417 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.308 -1.737 -12.963 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.105 -3.782 -14.082 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.464 -3.799 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.756 -3.445 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.024 -1.651 -15.319 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.672 -1.228 -14.798 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.325 -0.110 -14.481 1.00 0.00 H new ATOM 1448 N THR A 99 -8.572 1.285 -10.489 1.00 0.00 N ATOM 1449 CA THR A 99 -9.297 1.720 -9.302 1.00 0.00 C ATOM 1450 C THR A 99 -10.700 1.125 -9.265 1.00 0.00 C ATOM 1451 O THR A 99 -11.602 1.593 -9.959 1.00 0.00 O ATOM 1452 CB THR A 99 -9.401 3.255 -9.238 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.116 3.844 -9.465 1.00 0.00 O ATOM 1454 CG2 THR A 99 -9.940 3.706 -7.889 1.00 0.00 C ATOM 0 H THR A 99 -9.034 1.509 -11.371 1.00 0.00 H new ATOM 0 HA THR A 99 -8.732 1.365 -8.440 1.00 0.00 H new ATOM 0 HB THR A 99 -10.092 3.582 -10.015 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.192 4.820 -9.424 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.004 4.794 -7.868 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.931 3.281 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.271 3.367 -7.098 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.877 0.090 -8.450 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.171 -0.570 -8.323 1.00 0.00 C ATOM 1464 C PHE A 100 -12.855 -0.181 -7.016 1.00 0.00 C ATOM 1465 O PHE A 100 -12.309 -0.388 -5.932 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.001 -2.090 -8.390 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.833 -2.613 -9.788 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.794 -2.166 -10.589 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.713 -3.552 -10.301 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -10.636 -2.646 -11.875 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -12.560 -4.036 -11.587 1.00 0.00 C ATOM 1472 CZ PHE A 100 -11.520 -3.581 -12.375 1.00 0.00 C ATOM 0 H PHE A 100 -10.141 -0.309 -7.868 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.799 -0.244 -9.152 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.133 -2.377 -7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -12.870 -2.565 -7.935 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.100 -1.434 -10.203 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.528 -3.910 -9.689 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -9.822 -2.290 -12.488 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -13.252 -4.769 -11.975 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.399 -3.956 -13.380 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.051 0.385 -7.127 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.811 0.804 -5.954 1.00 0.00 C ATOM 1484 C ASP A 101 -15.393 -0.403 -5.225 1.00 0.00 C ATOM 1485 O ASP A 101 -16.103 -1.216 -5.816 1.00 0.00 O ATOM 1486 CB ASP A 101 -15.933 1.759 -6.362 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.550 3.215 -6.179 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -14.407 3.575 -6.530 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.392 3.993 -5.683 1.00 0.00 O ATOM 0 H ASP A 101 -14.516 0.565 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.132 1.322 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.194 1.583 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.823 1.543 -5.770 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.086 -0.513 -3.936 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.579 -1.620 -3.125 1.00 0.00 C ATOM 1496 C VAL A 102 -16.608 -1.140 -2.107 1.00 0.00 C ATOM 1497 O VAL A 102 -16.448 -0.082 -1.501 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.429 -2.327 -2.382 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -13.730 -3.318 -3.299 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.442 -1.306 -1.835 1.00 0.00 C ATOM 0 H VAL A 102 -14.498 0.151 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.050 -2.327 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 102 -14.848 -2.880 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.921 -3.807 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -14.445 -4.068 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -13.322 -2.791 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.636 -1.822 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.027 -0.724 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.955 -0.639 -1.142 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.664 -1.927 -1.926 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.720 -1.582 -0.981 1.00 0.00 C ATOM 1512 C GLU A 103 -19.098 -2.787 -0.124 1.00 0.00 C ATOM 1513 O GLU A 103 -19.740 -3.724 -0.600 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.952 -1.064 -1.726 1.00 0.00 C ATOM 1515 CG GLU A 103 -21.222 -1.090 -0.893 1.00 0.00 C ATOM 1516 CD GLU A 103 -21.042 -0.440 0.465 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -20.132 0.404 0.604 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -21.812 -0.776 1.390 1.00 0.00 O ATOM 0 H GLU A 103 -17.811 -2.807 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.344 -0.796 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.764 -0.042 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.103 -1.665 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -22.018 -0.578 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.542 -2.123 -0.758 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.696 -2.754 1.142 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.993 -3.843 2.066 1.00 0.00 C ATOM 1527 C LEU A 104 -20.495 -3.971 2.294 1.00 0.00 C ATOM 1528 O LEU A 104 -21.175 -2.988 2.591 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.281 -3.613 3.401 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.831 -4.869 4.147 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.931 -5.919 4.137 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.555 -5.426 3.533 1.00 0.00 C ATOM 0 H LEU A 104 -18.164 -1.986 1.552 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.632 -4.771 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.406 -2.989 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.947 -3.047 4.052 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.624 -4.598 5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.592 -6.806 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.820 -5.519 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.170 -6.186 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.250 -6.320 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.735 -5.681 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.765 -4.677 3.593 1.00 0.00 H new ATOM 1544 N LEU A 105 -21.008 -5.188 2.154 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.431 -5.446 2.346 1.00 0.00 C ATOM 1546 C LEU A 105 -22.664 -6.332 3.566 1.00 0.00 C ATOM 1547 O LEU A 105 -23.524 -6.046 4.398 1.00 0.00 O ATOM 1548 CB LEU A 105 -23.023 -6.108 1.101 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.941 -5.232 0.247 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -25.081 -4.677 1.087 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -23.152 -4.102 -0.398 1.00 0.00 C ATOM 0 H LEU A 105 -20.460 -6.012 1.908 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.928 -4.491 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.202 -6.458 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.583 -6.989 1.414 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.367 -5.849 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.724 -4.056 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -25.663 -5.501 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.674 -4.076 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -23.821 -3.489 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -22.698 -3.486 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -22.371 -4.520 -1.033 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.890 -7.408 3.666 1.00 0.00 N ATOM 1564 CA ARG A 106 -22.011 -8.335 4.785 1.00 0.00 C ATOM 1565 C ARG A 106 -20.685 -9.041 5.052 1.00 0.00 C ATOM 1566 O ARG A 106 -19.752 -8.957 4.252 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.103 -9.368 4.503 1.00 0.00 C ATOM 1568 CG ARG A 106 -24.500 -8.773 4.429 1.00 0.00 C ATOM 1569 CD ARG A 106 -25.535 -9.824 4.061 1.00 0.00 C ATOM 1570 NE ARG A 106 -26.152 -10.421 5.242 1.00 0.00 N ATOM 1571 CZ ARG A 106 -27.189 -11.250 5.190 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -27.721 -11.579 4.021 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -27.695 -11.752 6.309 1.00 0.00 N ATOM 0 H ARG A 106 -21.173 -7.659 2.986 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.283 -7.762 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -22.881 -9.871 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -23.082 -10.129 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -24.758 -8.328 5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -24.516 -7.971 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -26.307 -9.371 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -25.063 -10.605 3.465 1.00 0.00 H new ATOM 0 HE ARG A 106 -25.766 -10.189 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -27.334 -11.195 3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -28.517 -12.216 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -27.288 -11.502 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -28.491 -12.388 6.268 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.608 -9.737 6.182 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.396 -10.458 6.554 1.00 0.00 C ATOM 1589 C VAL A 107 -19.730 -11.817 7.158 1.00 0.00 C ATOM 1590 O VAL A 107 -20.635 -11.935 7.984 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.552 -9.655 7.561 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -17.335 -10.456 7.997 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -18.135 -8.320 6.961 1.00 0.00 C ATOM 0 H VAL A 107 -21.370 -9.817 6.855 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.819 -10.601 5.640 1.00 0.00 H new ATOM 0 HB VAL A 107 -19.161 -9.457 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.751 -9.872 8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.660 -11.383 8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.721 -10.687 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.539 -7.765 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.543 -8.494 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -19.023 -7.743 6.704 1.00 0.00 H new ATOM 1603 N GLU A 108 -18.993 -12.842 6.740 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.212 -14.194 7.241 1.00 0.00 C ATOM 1605 C GLU A 108 -17.885 -14.917 7.452 1.00 0.00 C ATOM 1606 O GLU A 108 -17.399 -15.615 6.563 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.088 -14.986 6.267 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.511 -14.464 6.166 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.443 -15.111 7.173 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -21.943 -15.812 8.077 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.670 -14.916 7.056 1.00 0.00 O ATOM 0 H GLU A 108 -18.240 -12.762 6.057 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.723 -14.121 8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.630 -14.962 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.114 -16.029 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.510 -13.385 6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.889 -14.643 5.159 1.00 0.00 H new TER 1618 GLU A 108