USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -0.664 K(o=-0.025,f=-1.8!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.639 USER MOD Set 2.1: A 79 ASN : amide:sc= -0.951 X(o=-0.94,f=-0.97) USER MOD Set 2.2: A 103 TYR OH : rot 92:sc= 0.0156 USER MOD Set 3.1: A 73 SER OG : rot 141:sc= 0.056 USER MOD Set 3.2: A 82 HIS : no HE2:sc= -1.03! C(o=-0.98!,f=-7.9!) USER MOD Single : A 11 SER OG : rot -15:sc= 0.714! USER MOD Single : A 17 ASN :FLIP amide:sc= -0.194 F(o=-0.82,f=-0.19) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 67:sc= -0.775 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 33 TYR OH : rot 165:sc= -2.88 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.13) USER MOD Single : A 37 SER OG : rot 44:sc= 0.00512 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -4.11! C(o=-5.4!,f=-4.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= -0.111 (180deg=-0.124) USER MOD Single : A 47 SER OG : rot -65:sc= -2.18! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.9!) USER MOD Single : A 68 SER OG : rot 9:sc= -3.69! USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.158 (180deg=-0.484) USER MOD Single : A 72 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.92) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 62:sc= 0.523 USER MOD Single : A 97 TYR OH : rot 62:sc= -3.62 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -6.32! C(o=-6.3!,f=-6.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.983 X(o=-0.98,f=-0.57) USER MOD Single : A 109 SER OG : rot 169:sc= -6! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 -31.801 1.288 1.982 1.00 0.00 N ATOM 26 CA ARG A 8 -30.350 1.302 1.834 1.00 0.00 C ATOM 27 C ARG A 8 -29.752 -0.065 2.148 1.00 0.00 C ATOM 28 O ARG A 8 -30.437 -0.958 2.648 1.00 0.00 O ATOM 29 CB ARG A 8 -29.722 2.363 2.747 1.00 0.00 C ATOM 30 CG ARG A 8 -30.648 3.524 3.080 1.00 0.00 C ATOM 31 CD ARG A 8 -29.923 4.858 3.002 1.00 0.00 C ATOM 32 NE ARG A 8 -30.720 5.873 2.319 1.00 0.00 N ATOM 33 CZ ARG A 8 -30.311 7.123 2.124 1.00 0.00 C ATOM 34 NH1 ARG A 8 -31.095 7.987 1.493 1.00 0.00 N ATOM 35 NH2 ARG A 8 -29.120 7.508 2.559 1.00 0.00 N ATOM 0 HA ARG A 8 -30.128 1.549 0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -29.406 1.887 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.825 2.754 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -31.492 3.527 2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -31.056 3.389 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -29.685 5.201 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -28.977 4.726 2.478 1.00 0.00 H new ATOM 0 HE ARG A 8 -31.642 5.608 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -32.012 7.693 1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -30.781 8.946 1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.515 6.845 3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -28.808 8.467 2.409 1.00 0.00 H new ATOM 49 N CYS A 9 -28.468 -0.217 1.848 1.00 0.00 N ATOM 50 CA CYS A 9 -27.759 -1.464 2.097 1.00 0.00 C ATOM 51 C CYS A 9 -27.328 -1.560 3.556 1.00 0.00 C ATOM 52 O CYS A 9 -27.258 -0.550 4.258 1.00 0.00 O ATOM 53 CB CYS A 9 -26.529 -1.552 1.195 1.00 0.00 C ATOM 54 SG CYS A 9 -26.898 -1.985 -0.536 1.00 0.00 S ATOM 0 H CYS A 9 -27.894 0.514 1.429 1.00 0.00 H new ATOM 0 HA CYS A 9 -28.434 -2.291 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -26.009 -0.594 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.845 -2.295 1.605 1.00 0.00 H new ATOM 59 N PRO A 10 -27.018 -2.777 4.033 1.00 0.00 N ATOM 60 CA PRO A 10 -26.567 -2.987 5.408 1.00 0.00 C ATOM 61 C PRO A 10 -25.173 -2.416 5.627 1.00 0.00 C ATOM 62 O PRO A 10 -24.519 -1.984 4.678 1.00 0.00 O ATOM 63 CB PRO A 10 -26.565 -4.506 5.561 1.00 0.00 C ATOM 64 CG PRO A 10 -26.390 -5.025 4.177 1.00 0.00 C ATOM 65 CD PRO A 10 -27.057 -4.033 3.264 1.00 0.00 C ATOM 0 HA PRO A 10 -27.205 -2.488 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.757 -4.837 6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.496 -4.861 6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.333 -5.129 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.840 -6.012 4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.526 -3.940 2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -28.080 -4.328 3.029 1.00 0.00 H new ATOM 73 N SER A 11 -24.715 -2.407 6.874 1.00 0.00 N ATOM 74 CA SER A 11 -23.403 -1.866 7.184 1.00 0.00 C ATOM 75 C SER A 11 -22.334 -2.470 6.272 1.00 0.00 C ATOM 76 O SER A 11 -22.114 -3.680 6.282 1.00 0.00 O ATOM 77 CB SER A 11 -23.047 -2.121 8.644 1.00 0.00 C ATOM 78 OG SER A 11 -22.360 -3.351 8.799 1.00 0.00 O ATOM 0 H SER A 11 -25.230 -2.766 7.678 1.00 0.00 H new ATOM 0 HA SER A 11 -23.437 -0.790 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.427 -1.306 9.017 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.956 -2.131 9.246 1.00 0.00 H new ATOM 0 HG SER A 11 -22.470 -3.891 7.989 1.00 0.00 H new ATOM 84 N PRO A 12 -21.666 -1.636 5.455 1.00 0.00 N ATOM 85 CA PRO A 12 -20.623 -2.096 4.535 1.00 0.00 C ATOM 86 C PRO A 12 -19.478 -2.792 5.259 1.00 0.00 C ATOM 87 O PRO A 12 -19.313 -2.643 6.469 1.00 0.00 O ATOM 88 CB PRO A 12 -20.128 -0.806 3.870 1.00 0.00 C ATOM 89 CG PRO A 12 -20.581 0.291 4.764 1.00 0.00 C ATOM 90 CD PRO A 12 -21.858 -0.181 5.374 1.00 0.00 C ATOM 0 HA PRO A 12 -21.006 -2.833 3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.043 -0.807 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -20.543 -0.695 2.868 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.836 0.503 5.531 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.733 1.214 4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -22.023 0.260 6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.720 0.079 4.759 1.00 0.00 H new ATOM 98 N ARG A 13 -18.695 -3.559 4.510 1.00 0.00 N ATOM 99 CA ARG A 13 -17.550 -4.257 5.077 1.00 0.00 C ATOM 100 C ARG A 13 -16.552 -3.258 5.630 1.00 0.00 C ATOM 101 O ARG A 13 -16.773 -2.051 5.569 1.00 0.00 O ATOM 102 CB ARG A 13 -16.881 -5.138 4.019 1.00 0.00 C ATOM 103 CG ARG A 13 -16.382 -6.467 4.564 1.00 0.00 C ATOM 104 CD ARG A 13 -17.055 -7.641 3.873 1.00 0.00 C ATOM 105 NE ARG A 13 -17.392 -8.708 4.811 1.00 0.00 N ATOM 106 CZ ARG A 13 -18.303 -8.584 5.771 1.00 0.00 C ATOM 107 NH1 ARG A 13 -18.554 -9.599 6.586 1.00 0.00 N ATOM 108 NH2 ARG A 13 -18.963 -7.443 5.918 1.00 0.00 N ATOM 0 H ARG A 13 -18.832 -3.713 3.511 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.900 -4.895 5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.591 -5.328 3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.042 -4.595 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.302 -6.534 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -16.573 -6.516 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -17.961 -7.297 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.395 -8.033 3.100 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.901 -9.598 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -18.048 -10.478 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -19.254 -9.501 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.772 -6.659 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.662 -7.349 6.655 1.00 0.00 H new ATOM 122 N ASP A 14 -15.461 -3.763 6.178 1.00 0.00 N ATOM 123 CA ASP A 14 -14.438 -2.901 6.747 1.00 0.00 C ATOM 124 C ASP A 14 -13.042 -3.348 6.330 1.00 0.00 C ATOM 125 O ASP A 14 -12.884 -4.218 5.474 1.00 0.00 O ATOM 126 CB ASP A 14 -14.548 -2.885 8.271 1.00 0.00 C ATOM 127 CG ASP A 14 -14.577 -1.479 8.836 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.412 -0.672 8.377 1.00 0.00 O ATOM 129 OD2 ASP A 14 -13.765 -1.185 9.739 1.00 0.00 O ATOM 0 H ASP A 14 -15.260 -4.761 6.241 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.599 -1.893 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.453 -3.413 8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.705 -3.428 8.699 1.00 0.00 H new ATOM 134 N ILE A 15 -12.033 -2.740 6.944 1.00 0.00 N ATOM 135 CA ILE A 15 -10.644 -3.062 6.642 1.00 0.00 C ATOM 136 C ILE A 15 -9.750 -2.789 7.848 1.00 0.00 C ATOM 137 O ILE A 15 -10.039 -1.910 8.660 1.00 0.00 O ATOM 138 CB ILE A 15 -10.132 -2.250 5.439 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.710 -2.678 5.071 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.180 -0.761 5.744 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.349 -2.394 3.630 1.00 0.00 C ATOM 0 H ILE A 15 -12.152 -2.019 7.656 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.605 -4.123 6.395 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.782 -2.448 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.004 -2.163 5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.599 -3.746 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.815 -0.201 4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.207 -0.467 5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.553 -0.546 6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.327 -2.723 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.032 -2.930 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.427 -1.324 3.440 1.00 0.00 H new ATOM 153 N ASP A 16 -8.668 -3.553 7.965 1.00 0.00 N ATOM 154 CA ASP A 16 -7.741 -3.397 9.079 1.00 0.00 C ATOM 155 C ASP A 16 -6.569 -2.497 8.697 1.00 0.00 C ATOM 156 O ASP A 16 -6.265 -1.529 9.394 1.00 0.00 O ATOM 157 CB ASP A 16 -7.223 -4.764 9.531 1.00 0.00 C ATOM 158 CG ASP A 16 -6.619 -4.725 10.921 1.00 0.00 C ATOM 159 OD1 ASP A 16 -6.825 -5.691 11.685 1.00 0.00 O ATOM 160 OD2 ASP A 16 -5.938 -3.729 11.244 1.00 0.00 O ATOM 0 H ASP A 16 -8.413 -4.285 7.302 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.279 -2.927 9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.042 -5.483 9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.474 -5.118 8.823 1.00 0.00 H new ATOM 165 N ASN A 17 -5.915 -2.824 7.587 1.00 0.00 N ATOM 166 CA ASN A 17 -4.774 -2.046 7.115 1.00 0.00 C ATOM 167 C ASN A 17 -5.215 -0.999 6.102 1.00 0.00 C ATOM 168 O ASN A 17 -4.557 -0.781 5.085 1.00 0.00 O ATOM 169 CB ASN A 17 -3.720 -2.969 6.497 1.00 0.00 C ATOM 170 CG ASN A 17 -3.592 -4.281 7.246 1.00 0.00 C ATOM 171 OD1 ASN A 17 -3.768 -4.230 8.562 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 -3.352 -5.330 6.649 1.00 0.00 N flip ATOM 0 H ASN A 17 -6.155 -3.621 6.998 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.335 -1.532 7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.981 -3.171 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.755 -2.462 6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.224 -5.323 5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.281 -6.206 7.166 1.00 0.00 H new ATOM 179 N GLY A 18 -6.336 -0.351 6.395 1.00 0.00 N ATOM 180 CA GLY A 18 -6.860 0.674 5.512 1.00 0.00 C ATOM 181 C GLY A 18 -7.995 1.456 6.143 1.00 0.00 C ATOM 182 O GLY A 18 -8.251 1.332 7.341 1.00 0.00 O ATOM 0 H GLY A 18 -6.894 -0.518 7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.058 1.360 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.210 0.211 4.590 1.00 0.00 H new ATOM 186 N GLN A 19 -8.675 2.269 5.340 1.00 0.00 N ATOM 187 CA GLN A 19 -9.784 3.083 5.835 1.00 0.00 C ATOM 188 C GLN A 19 -10.836 3.281 4.750 1.00 0.00 C ATOM 189 O GLN A 19 -10.516 3.680 3.631 1.00 0.00 O ATOM 190 CB GLN A 19 -9.286 4.451 6.320 1.00 0.00 C ATOM 191 CG GLN A 19 -7.812 4.485 6.701 1.00 0.00 C ATOM 192 CD GLN A 19 -7.461 5.679 7.566 1.00 0.00 C ATOM 193 OE1 GLN A 19 -7.707 5.681 8.772 1.00 0.00 O ATOM 194 NE2 GLN A 19 -6.884 6.705 6.951 1.00 0.00 N ATOM 0 H GLN A 19 -8.479 2.383 4.345 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.233 2.552 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.463 5.187 5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.879 4.755 7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.557 3.568 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.207 4.507 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.699 6.660 5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.626 7.538 7.481 1.00 0.00 H new ATOM 203 N LEU A 20 -12.096 3.023 5.091 1.00 0.00 N ATOM 204 CA LEU A 20 -13.184 3.169 4.139 1.00 0.00 C ATOM 205 C LEU A 20 -13.587 4.627 3.963 1.00 0.00 C ATOM 206 O LEU A 20 -13.306 5.474 4.810 1.00 0.00 O ATOM 207 CB LEU A 20 -14.393 2.368 4.602 1.00 0.00 C ATOM 208 CG LEU A 20 -14.341 0.882 4.272 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.591 0.198 4.780 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.102 0.243 4.875 1.00 0.00 C ATOM 0 H LEU A 20 -12.384 2.713 6.019 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.831 2.793 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.495 2.483 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.288 2.795 4.150 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.290 0.765 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.547 -0.864 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.661 0.324 5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.467 0.641 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.083 -0.818 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.211 0.725 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.121 0.363 5.958 1.00 0.00 H new ATOM 222 N ASP A 21 -14.278 4.895 2.865 1.00 0.00 N ATOM 223 CA ASP A 21 -14.786 6.226 2.570 1.00 0.00 C ATOM 224 C ASP A 21 -16.249 6.126 2.160 1.00 0.00 C ATOM 225 O ASP A 21 -16.583 6.199 0.978 1.00 0.00 O ATOM 226 CB ASP A 21 -13.964 6.881 1.458 1.00 0.00 C ATOM 227 CG ASP A 21 -13.458 8.256 1.847 1.00 0.00 C ATOM 228 OD1 ASP A 21 -14.295 9.147 2.100 1.00 0.00 O ATOM 229 OD2 ASP A 21 -12.224 8.440 1.900 1.00 0.00 O ATOM 0 H ASP A 21 -14.502 4.198 2.155 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.702 6.847 3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.117 6.241 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.574 6.962 0.559 1.00 0.00 H new ATOM 234 N ILE A 22 -17.107 5.887 3.146 1.00 0.00 N ATOM 235 CA ILE A 22 -18.532 5.697 2.897 1.00 0.00 C ATOM 236 C ILE A 22 -19.260 7.024 2.728 1.00 0.00 C ATOM 237 O ILE A 22 -19.493 7.746 3.697 1.00 0.00 O ATOM 238 CB ILE A 22 -19.222 4.898 4.030 1.00 0.00 C ATOM 239 CG1 ILE A 22 -18.223 3.987 4.761 1.00 0.00 C ATOM 240 CG2 ILE A 22 -20.372 4.081 3.465 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.872 2.988 5.696 1.00 0.00 C ATOM 0 H ILE A 22 -16.840 5.820 4.128 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.594 5.128 1.969 1.00 0.00 H new ATOM 0 HB ILE A 22 -19.614 5.609 4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.632 3.447 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.531 4.607 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.851 3.523 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -21.100 4.748 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.991 3.385 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.101 2.383 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.440 3.520 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.542 2.341 5.129 1.00 0.00 H new ATOM 253 N GLY A 23 -19.647 7.320 1.493 1.00 0.00 N ATOM 254 CA GLY A 23 -20.396 8.530 1.221 1.00 0.00 C ATOM 255 C GLY A 23 -21.877 8.251 1.028 1.00 0.00 C ATOM 256 O GLY A 23 -22.614 9.100 0.526 1.00 0.00 O ATOM 0 H GLY A 23 -19.455 6.742 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -20.264 9.231 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -19.998 9.010 0.327 1.00 0.00 H new ATOM 260 N GLY A 24 -22.312 7.055 1.423 1.00 0.00 N ATOM 261 CA GLY A 24 -23.707 6.684 1.276 1.00 0.00 C ATOM 262 C GLY A 24 -23.903 5.180 1.287 1.00 0.00 C ATOM 263 O GLY A 24 -22.985 4.428 0.963 1.00 0.00 O ATOM 0 H GLY A 24 -21.721 6.337 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -24.287 7.130 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -24.094 7.092 0.342 1.00 0.00 H new ATOM 267 N VAL A 25 -25.099 4.739 1.665 1.00 0.00 N ATOM 268 CA VAL A 25 -25.399 3.313 1.724 1.00 0.00 C ATOM 269 C VAL A 25 -26.732 2.980 1.054 1.00 0.00 C ATOM 270 O VAL A 25 -27.207 1.849 1.143 1.00 0.00 O ATOM 271 CB VAL A 25 -25.436 2.809 3.180 1.00 0.00 C ATOM 272 CG1 VAL A 25 -24.100 3.052 3.864 1.00 0.00 C ATOM 273 CG2 VAL A 25 -26.565 3.478 3.948 1.00 0.00 C ATOM 0 H VAL A 25 -25.873 5.346 1.934 1.00 0.00 H new ATOM 0 HA VAL A 25 -24.597 2.810 1.183 1.00 0.00 H new ATOM 0 HB VAL A 25 -25.622 1.735 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -24.146 2.690 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -23.314 2.521 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -23.881 4.120 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -26.575 3.110 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -26.413 4.557 3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -27.517 3.247 3.470 1.00 0.00 H new ATOM 283 N ASP A 26 -27.331 3.957 0.379 1.00 0.00 N ATOM 284 CA ASP A 26 -28.609 3.738 -0.294 1.00 0.00 C ATOM 285 C ASP A 26 -28.430 2.879 -1.541 1.00 0.00 C ATOM 286 O ASP A 26 -27.351 2.843 -2.132 1.00 0.00 O ATOM 287 CB ASP A 26 -29.265 5.069 -0.667 1.00 0.00 C ATOM 288 CG ASP A 26 -28.277 6.079 -1.218 1.00 0.00 C ATOM 289 OD1 ASP A 26 -27.772 5.865 -2.339 1.00 0.00 O ATOM 290 OD2 ASP A 26 -28.007 7.083 -0.525 1.00 0.00 O ATOM 0 H ASP A 26 -26.956 4.901 0.283 1.00 0.00 H new ATOM 0 HA ASP A 26 -29.261 3.210 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -30.044 4.889 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -29.752 5.488 0.214 1.00 0.00 H new ATOM 295 N PHE A 27 -29.496 2.187 -1.937 1.00 0.00 N ATOM 296 CA PHE A 27 -29.453 1.327 -3.115 1.00 0.00 C ATOM 297 C PHE A 27 -28.884 2.075 -4.312 1.00 0.00 C ATOM 298 O PHE A 27 -29.612 2.742 -5.047 1.00 0.00 O ATOM 299 CB PHE A 27 -30.850 0.799 -3.445 1.00 0.00 C ATOM 300 CG PHE A 27 -30.876 -0.152 -4.610 1.00 0.00 C ATOM 301 CD1 PHE A 27 -31.992 -0.234 -5.426 1.00 0.00 C ATOM 302 CD2 PHE A 27 -29.787 -0.966 -4.886 1.00 0.00 C ATOM 303 CE1 PHE A 27 -32.022 -1.108 -6.497 1.00 0.00 C ATOM 304 CE2 PHE A 27 -29.812 -1.841 -5.956 1.00 0.00 C ATOM 305 CZ PHE A 27 -30.931 -1.911 -6.762 1.00 0.00 C ATOM 0 H PHE A 27 -30.397 2.205 -1.460 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.800 0.483 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -31.256 0.296 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -31.506 1.642 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -32.849 0.392 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -28.910 -0.916 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -32.898 -1.162 -7.126 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -28.958 -2.469 -6.161 1.00 0.00 H new ATOM 0 HZ PHE A 27 -30.953 -2.593 -7.599 1.00 0.00 H new ATOM 315 N GLY A 28 -27.575 1.960 -4.497 1.00 0.00 N ATOM 316 CA GLY A 28 -26.921 2.632 -5.600 1.00 0.00 C ATOM 317 C GLY A 28 -25.725 3.460 -5.159 1.00 0.00 C ATOM 318 O GLY A 28 -25.013 4.017 -5.994 1.00 0.00 O ATOM 0 H GLY A 28 -26.955 1.412 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -26.595 1.891 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -27.640 3.279 -6.103 1.00 0.00 H new ATOM 322 N SER A 29 -25.503 3.548 -3.848 1.00 0.00 N ATOM 323 CA SER A 29 -24.383 4.315 -3.318 1.00 0.00 C ATOM 324 C SER A 29 -23.057 3.648 -3.667 1.00 0.00 C ATOM 325 O SER A 29 -23.024 2.647 -4.381 1.00 0.00 O ATOM 326 CB SER A 29 -24.510 4.459 -1.800 1.00 0.00 C ATOM 327 OG SER A 29 -24.787 5.800 -1.435 1.00 0.00 O ATOM 0 H SER A 29 -26.082 3.099 -3.139 1.00 0.00 H new ATOM 0 HA SER A 29 -24.404 5.305 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 29 -25.305 3.808 -1.435 1.00 0.00 H new ATOM 0 HB3 SER A 29 -23.586 4.132 -1.322 1.00 0.00 H new ATOM 0 HG SER A 29 -25.680 6.048 -1.754 1.00 0.00 H new ATOM 333 N SER A 30 -21.966 4.208 -3.157 1.00 0.00 N ATOM 334 CA SER A 30 -20.640 3.662 -3.413 1.00 0.00 C ATOM 335 C SER A 30 -19.653 4.091 -2.335 1.00 0.00 C ATOM 336 O SER A 30 -19.670 5.236 -1.881 1.00 0.00 O ATOM 337 CB SER A 30 -20.138 4.107 -4.788 1.00 0.00 C ATOM 338 OG SER A 30 -20.648 5.385 -5.128 1.00 0.00 O ATOM 0 H SER A 30 -21.974 5.038 -2.565 1.00 0.00 H new ATOM 0 HA SER A 30 -20.716 2.575 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.048 4.135 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.439 3.379 -5.542 1.00 0.00 H new ATOM 0 HG SER A 30 -20.311 5.648 -6.010 1.00 0.00 H new ATOM 344 N ILE A 31 -18.797 3.162 -1.930 1.00 0.00 N ATOM 345 CA ILE A 31 -17.798 3.435 -0.901 1.00 0.00 C ATOM 346 C ILE A 31 -16.406 3.525 -1.519 1.00 0.00 C ATOM 347 O ILE A 31 -16.218 3.192 -2.688 1.00 0.00 O ATOM 348 CB ILE A 31 -17.781 2.351 0.207 1.00 0.00 C ATOM 349 CG1 ILE A 31 -19.077 1.530 0.218 1.00 0.00 C ATOM 350 CG2 ILE A 31 -17.565 2.994 1.565 1.00 0.00 C ATOM 351 CD1 ILE A 31 -19.136 0.512 1.335 1.00 0.00 C ATOM 0 H ILE A 31 -18.773 2.211 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 31 -18.073 4.387 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.956 1.672 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.926 2.207 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.180 1.016 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.555 2.223 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.612 3.524 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.372 3.698 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.079 -0.032 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.307 -0.188 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.064 1.022 2.296 1.00 0.00 H new ATOM 363 N THR A 32 -15.433 3.968 -0.729 1.00 0.00 N ATOM 364 CA THR A 32 -14.060 4.087 -1.210 1.00 0.00 C ATOM 365 C THR A 32 -13.075 3.517 -0.196 1.00 0.00 C ATOM 366 O THR A 32 -12.946 4.028 0.915 1.00 0.00 O ATOM 367 CB THR A 32 -13.722 5.550 -1.503 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.898 6.341 -1.520 1.00 0.00 O ATOM 369 CG2 THR A 32 -13.014 5.748 -2.825 1.00 0.00 C ATOM 0 H THR A 32 -15.568 4.249 0.242 1.00 0.00 H new ATOM 0 HA THR A 32 -13.976 3.512 -2.132 1.00 0.00 H new ATOM 0 HB THR A 32 -13.050 5.858 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.662 7.274 -1.707 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.804 6.808 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.078 5.189 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.649 5.390 -3.635 1.00 0.00 H new ATOM 377 N TYR A 33 -12.379 2.455 -0.586 1.00 0.00 N ATOM 378 CA TYR A 33 -11.420 1.806 0.300 1.00 0.00 C ATOM 379 C TYR A 33 -10.012 2.359 0.096 1.00 0.00 C ATOM 380 O TYR A 33 -9.578 2.581 -1.034 1.00 0.00 O ATOM 381 CB TYR A 33 -11.430 0.296 0.063 1.00 0.00 C ATOM 382 CG TYR A 33 -12.497 -0.429 0.849 1.00 0.00 C ATOM 383 CD1 TYR A 33 -12.182 -1.087 2.029 1.00 0.00 C ATOM 384 CD2 TYR A 33 -13.819 -0.451 0.416 1.00 0.00 C ATOM 385 CE1 TYR A 33 -13.148 -1.757 2.753 1.00 0.00 C ATOM 386 CE2 TYR A 33 -14.793 -1.114 1.138 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.452 -1.767 2.305 1.00 0.00 C ATOM 388 OH TYR A 33 -15.418 -2.431 3.025 1.00 0.00 O ATOM 0 H TYR A 33 -12.461 2.026 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.716 2.013 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.579 0.104 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.454 -0.112 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -11.163 -1.075 2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.088 0.058 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.884 -2.271 3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.816 -1.121 0.791 1.00 0.00 H new ATOM 0 HH TYR A 33 -16.305 -2.149 2.719 1.00 0.00 H new ATOM 398 N SER A 34 -9.303 2.577 1.202 1.00 0.00 N ATOM 399 CA SER A 34 -7.941 3.101 1.152 1.00 0.00 C ATOM 400 C SER A 34 -7.073 2.457 2.230 1.00 0.00 C ATOM 401 O SER A 34 -7.578 1.758 3.108 1.00 0.00 O ATOM 402 CB SER A 34 -7.951 4.621 1.330 1.00 0.00 C ATOM 403 OG SER A 34 -6.952 5.235 0.533 1.00 0.00 O ATOM 0 H SER A 34 -9.650 2.398 2.144 1.00 0.00 H new ATOM 0 HA SER A 34 -7.519 2.859 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.930 5.016 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.787 4.869 2.379 1.00 0.00 H new ATOM 0 HG SER A 34 -6.980 6.206 0.663 1.00 0.00 H new ATOM 409 N CYS A 35 -5.766 2.697 2.161 1.00 0.00 N ATOM 410 CA CYS A 35 -4.834 2.132 3.128 1.00 0.00 C ATOM 411 C CYS A 35 -4.628 3.074 4.311 1.00 0.00 C ATOM 412 O CYS A 35 -4.957 4.258 4.240 1.00 0.00 O ATOM 413 CB CYS A 35 -3.492 1.842 2.455 1.00 0.00 C ATOM 414 SG CYS A 35 -3.489 0.349 1.411 1.00 0.00 S ATOM 0 H CYS A 35 -5.330 3.279 1.445 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.260 1.201 3.503 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.212 2.700 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.728 1.735 3.225 1.00 0.00 H new ATOM 419 N ASN A 36 -4.084 2.536 5.398 1.00 0.00 N ATOM 420 CA ASN A 36 -3.838 3.320 6.603 1.00 0.00 C ATOM 421 C ASN A 36 -2.840 4.443 6.338 1.00 0.00 C ATOM 422 O ASN A 36 -3.226 5.590 6.113 1.00 0.00 O ATOM 423 CB ASN A 36 -3.317 2.418 7.724 1.00 0.00 C ATOM 424 CG ASN A 36 -4.322 2.251 8.847 1.00 0.00 C ATOM 425 OD1 ASN A 36 -4.836 3.231 9.386 1.00 0.00 O ATOM 426 ND2 ASN A 36 -4.605 1.004 9.206 1.00 0.00 N ATOM 0 H ASN A 36 -3.805 1.558 5.469 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.784 3.767 6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.069 1.439 7.313 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.395 2.838 8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.273 0.829 9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.155 0.222 8.731 1.00 0.00 H new ATOM 433 N SER A 37 -1.554 4.107 6.380 1.00 0.00 N ATOM 434 CA SER A 37 -0.498 5.087 6.151 1.00 0.00 C ATOM 435 C SER A 37 0.775 4.408 5.659 1.00 0.00 C ATOM 436 O SER A 37 1.178 3.368 6.180 1.00 0.00 O ATOM 437 CB SER A 37 -0.210 5.865 7.437 1.00 0.00 C ATOM 438 OG SER A 37 -0.762 7.169 7.380 1.00 0.00 O ATOM 0 H SER A 37 -1.218 3.163 6.571 1.00 0.00 H new ATOM 0 HA SER A 37 -0.839 5.781 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.624 5.329 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.867 5.929 7.593 1.00 0.00 H new ATOM 0 HG SER A 37 -1.666 7.125 7.004 1.00 0.00 H new ATOM 444 N GLY A 38 1.407 5.005 4.655 1.00 0.00 N ATOM 445 CA GLY A 38 2.622 4.437 4.101 1.00 0.00 C ATOM 446 C GLY A 38 2.386 3.071 3.491 1.00 0.00 C ATOM 447 O GLY A 38 3.310 2.268 3.367 1.00 0.00 O ATOM 0 H GLY A 38 1.100 5.872 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.022 5.109 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.375 4.358 4.885 1.00 0.00 H new ATOM 451 N TYR A 39 1.139 2.806 3.117 1.00 0.00 N ATOM 452 CA TYR A 39 0.769 1.526 2.531 1.00 0.00 C ATOM 453 C TYR A 39 0.276 1.699 1.100 1.00 0.00 C ATOM 454 O TYR A 39 0.106 2.820 0.620 1.00 0.00 O ATOM 455 CB TYR A 39 -0.331 0.868 3.365 1.00 0.00 C ATOM 456 CG TYR A 39 0.185 -0.057 4.442 1.00 0.00 C ATOM 457 CD1 TYR A 39 -0.533 -1.186 4.813 1.00 0.00 C ATOM 458 CD2 TYR A 39 1.384 0.202 5.092 1.00 0.00 C ATOM 459 CE1 TYR A 39 -0.068 -2.035 5.798 1.00 0.00 C ATOM 460 CE2 TYR A 39 1.857 -0.643 6.078 1.00 0.00 C ATOM 461 CZ TYR A 39 1.128 -1.760 6.427 1.00 0.00 C ATOM 462 OH TYR A 39 1.595 -2.604 7.408 1.00 0.00 O ATOM 0 H TYR A 39 0.366 3.465 3.210 1.00 0.00 H new ATOM 0 HA TYR A 39 1.656 0.893 2.521 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.936 1.647 3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.988 0.306 2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.471 -1.404 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.956 1.078 4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.638 -2.910 6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.793 -0.429 6.573 1.00 0.00 H new ATOM 0 HH TYR A 39 2.450 -2.268 7.749 1.00 0.00 H new ATOM 472 N HIS A 40 0.025 0.579 0.434 1.00 0.00 N ATOM 473 CA HIS A 40 -0.503 0.597 -0.922 1.00 0.00 C ATOM 474 C HIS A 40 -1.637 -0.416 -1.054 1.00 0.00 C ATOM 475 O HIS A 40 -1.474 -1.591 -0.726 1.00 0.00 O ATOM 476 CB HIS A 40 0.607 0.321 -1.946 1.00 0.00 C ATOM 477 CG HIS A 40 0.995 -1.121 -2.065 1.00 0.00 C ATOM 478 ND1 HIS A 40 1.160 -2.076 -1.120 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 1.273 -1.728 -3.272 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 1.526 -3.230 -1.768 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 1.589 -2.994 -3.064 1.00 0.00 N flip ATOM 0 H HIS A 40 0.179 -0.355 0.813 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.901 1.590 -1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.281 0.679 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.489 0.901 -1.673 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.036 -1.960 -0.114 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.238 -1.244 -4.237 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.730 -4.178 -1.293 1.00 0.00 H new ATOM 490 N LEU A 41 -2.801 0.063 -1.475 1.00 0.00 N ATOM 491 CA LEU A 41 -3.974 -0.788 -1.615 1.00 0.00 C ATOM 492 C LEU A 41 -3.920 -1.573 -2.914 1.00 0.00 C ATOM 493 O LEU A 41 -3.445 -1.073 -3.933 1.00 0.00 O ATOM 494 CB LEU A 41 -5.248 0.057 -1.570 1.00 0.00 C ATOM 495 CG LEU A 41 -6.554 -0.740 -1.585 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.639 0.006 -0.825 1.00 0.00 C ATOM 497 CD2 LEU A 41 -6.993 -1.020 -3.014 1.00 0.00 C ATOM 0 H LEU A 41 -2.957 1.039 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.983 -1.494 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.226 0.673 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.245 0.737 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.382 -1.695 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.562 -0.574 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.325 0.152 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.810 0.976 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.923 -1.588 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.149 -0.077 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.222 -1.596 -3.525 1.00 0.00 H new ATOM 509 N ILE A 42 -4.410 -2.805 -2.873 1.00 0.00 N ATOM 510 CA ILE A 42 -4.411 -3.656 -4.054 1.00 0.00 C ATOM 511 C ILE A 42 -5.814 -4.157 -4.362 1.00 0.00 C ATOM 512 O ILE A 42 -6.651 -4.286 -3.468 1.00 0.00 O ATOM 513 CB ILE A 42 -3.463 -4.864 -3.908 1.00 0.00 C ATOM 514 CG1 ILE A 42 -2.294 -4.532 -2.979 1.00 0.00 C ATOM 515 CG2 ILE A 42 -2.940 -5.275 -5.272 1.00 0.00 C ATOM 516 CD1 ILE A 42 -1.498 -3.333 -3.440 1.00 0.00 C ATOM 0 H ILE A 42 -4.810 -3.235 -2.039 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.052 -3.038 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.023 -5.690 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.676 -4.344 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.633 -5.396 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.271 -6.129 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.776 -5.549 -5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.396 -4.443 -5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.683 -3.147 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.089 -3.527 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.148 -2.459 -3.481 1.00 0.00 H new ATOM 528 N GLY A 43 -6.066 -4.428 -5.634 1.00 0.00 N ATOM 529 CA GLY A 43 -7.377 -4.895 -6.044 1.00 0.00 C ATOM 530 C GLY A 43 -8.347 -3.751 -6.257 1.00 0.00 C ATOM 531 O GLY A 43 -8.047 -2.803 -6.983 1.00 0.00 O ATOM 0 H GLY A 43 -5.388 -4.333 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.285 -5.469 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.774 -5.571 -5.286 1.00 0.00 H new ATOM 535 N GLU A 44 -9.507 -3.829 -5.613 1.00 0.00 N ATOM 536 CA GLU A 44 -10.507 -2.776 -5.723 1.00 0.00 C ATOM 537 C GLU A 44 -10.228 -1.666 -4.718 1.00 0.00 C ATOM 538 O GLU A 44 -9.415 -1.827 -3.813 1.00 0.00 O ATOM 539 CB GLU A 44 -11.911 -3.344 -5.494 1.00 0.00 C ATOM 540 CG GLU A 44 -11.990 -4.335 -4.343 1.00 0.00 C ATOM 541 CD GLU A 44 -11.820 -5.771 -4.798 1.00 0.00 C ATOM 542 OE1 GLU A 44 -12.329 -6.678 -4.106 1.00 0.00 O ATOM 543 OE2 GLU A 44 -11.178 -5.990 -5.847 1.00 0.00 O ATOM 0 H GLU A 44 -9.776 -4.608 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.454 -2.361 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.599 -2.521 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.248 -3.834 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.220 -4.097 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.952 -4.228 -3.842 1.00 0.00 H new ATOM 550 N SER A 45 -10.911 -0.543 -4.883 1.00 0.00 N ATOM 551 CA SER A 45 -10.752 0.595 -3.994 1.00 0.00 C ATOM 552 C SER A 45 -12.039 1.406 -3.914 1.00 0.00 C ATOM 553 O SER A 45 -12.023 2.584 -3.558 1.00 0.00 O ATOM 554 CB SER A 45 -9.627 1.482 -4.498 1.00 0.00 C ATOM 555 OG SER A 45 -9.689 1.637 -5.905 1.00 0.00 O ATOM 0 H SER A 45 -11.587 -0.396 -5.633 1.00 0.00 H new ATOM 0 HA SER A 45 -10.513 0.223 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.688 2.459 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.666 1.049 -4.219 1.00 0.00 H new ATOM 0 HG SER A 45 -8.955 2.214 -6.203 1.00 0.00 H new ATOM 561 N LYS A 46 -13.146 0.769 -4.259 1.00 0.00 N ATOM 562 CA LYS A 46 -14.442 1.419 -4.246 1.00 0.00 C ATOM 563 C LYS A 46 -15.554 0.380 -4.296 1.00 0.00 C ATOM 564 O LYS A 46 -15.583 -0.469 -5.187 1.00 0.00 O ATOM 565 CB LYS A 46 -14.558 2.371 -5.433 1.00 0.00 C ATOM 566 CG LYS A 46 -14.403 3.830 -5.056 1.00 0.00 C ATOM 567 CD LYS A 46 -15.641 4.634 -5.420 1.00 0.00 C ATOM 568 CE LYS A 46 -15.551 5.186 -6.834 1.00 0.00 C ATOM 569 NZ LYS A 46 -15.882 4.154 -7.856 1.00 0.00 N ATOM 0 H LYS A 46 -13.170 -0.207 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.541 1.990 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.799 2.112 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.528 2.228 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.216 3.912 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.534 4.248 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.525 4.003 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.763 5.456 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.232 6.031 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.544 5.564 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.760 4.556 -8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.249 3.337 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.868 3.848 -7.734 1.00 0.00 H new ATOM 583 N SER A 47 -16.448 0.433 -3.321 1.00 0.00 N ATOM 584 CA SER A 47 -17.550 -0.513 -3.246 1.00 0.00 C ATOM 585 C SER A 47 -18.834 0.124 -3.733 1.00 0.00 C ATOM 586 O SER A 47 -18.963 1.347 -3.735 1.00 0.00 O ATOM 587 CB SER A 47 -17.712 -1.006 -1.811 1.00 0.00 C ATOM 588 OG SER A 47 -16.881 -0.273 -0.929 1.00 0.00 O ATOM 0 H SER A 47 -16.432 1.122 -2.569 1.00 0.00 H new ATOM 0 HA SER A 47 -17.327 -1.363 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 47 -18.753 -0.907 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 47 -17.463 -2.066 -1.756 1.00 0.00 H new ATOM 0 HG SER A 47 -15.941 -0.446 -1.145 1.00 0.00 H new ATOM 594 N TYR A 48 -19.776 -0.699 -4.175 1.00 0.00 N ATOM 595 CA TYR A 48 -21.034 -0.157 -4.701 1.00 0.00 C ATOM 596 C TYR A 48 -22.254 -0.859 -4.129 1.00 0.00 C ATOM 597 O TYR A 48 -22.415 -2.069 -4.263 1.00 0.00 O ATOM 598 CB TYR A 48 -21.064 -0.220 -6.231 1.00 0.00 C ATOM 599 CG TYR A 48 -19.700 -0.087 -6.860 1.00 0.00 C ATOM 600 CD1 TYR A 48 -18.929 1.040 -6.628 1.00 0.00 C ATOM 601 CD2 TYR A 48 -19.174 -1.096 -7.654 1.00 0.00 C ATOM 602 CE1 TYR A 48 -17.672 1.169 -7.186 1.00 0.00 C ATOM 603 CE2 TYR A 48 -17.920 -0.977 -8.217 1.00 0.00 C ATOM 604 CZ TYR A 48 -17.171 0.158 -7.980 1.00 0.00 C ATOM 605 OH TYR A 48 -15.920 0.281 -8.539 1.00 0.00 O ATOM 0 H TYR A 48 -19.704 -1.716 -4.183 1.00 0.00 H new ATOM 0 HA TYR A 48 -21.076 0.886 -4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -21.508 -1.166 -6.540 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -21.709 0.574 -6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.316 1.830 -6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.755 -1.988 -7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.085 2.056 -7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.527 -1.767 -8.839 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.718 -0.519 -9.068 1.00 0.00 H new ATOM 615 N CYS A 49 -23.135 -0.069 -3.531 1.00 0.00 N ATOM 616 CA CYS A 49 -24.371 -0.593 -2.967 1.00 0.00 C ATOM 617 C CYS A 49 -25.314 -1.032 -4.075 1.00 0.00 C ATOM 618 O CYS A 49 -26.042 -0.220 -4.645 1.00 0.00 O ATOM 619 CB CYS A 49 -25.049 0.462 -2.095 1.00 0.00 C ATOM 620 SG CYS A 49 -26.691 -0.026 -1.481 1.00 0.00 S ATOM 0 H CYS A 49 -23.016 0.938 -3.424 1.00 0.00 H new ATOM 0 HA CYS A 49 -24.127 -1.457 -2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -24.405 0.683 -1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -25.146 1.384 -2.668 1.00 0.00 H new ATOM 625 N GLU A 50 -25.280 -2.318 -4.389 1.00 0.00 N ATOM 626 CA GLU A 50 -26.123 -2.860 -5.450 1.00 0.00 C ATOM 627 C GLU A 50 -26.916 -4.065 -4.957 1.00 0.00 C ATOM 628 O GLU A 50 -26.711 -4.560 -3.849 1.00 0.00 O ATOM 629 CB GLU A 50 -25.261 -3.204 -6.686 1.00 0.00 C ATOM 630 CG GLU A 50 -25.690 -4.424 -7.498 1.00 0.00 C ATOM 631 CD GLU A 50 -24.632 -4.867 -8.489 1.00 0.00 C ATOM 632 OE1 GLU A 50 -23.640 -4.129 -8.667 1.00 0.00 O ATOM 633 OE2 GLU A 50 -24.796 -5.950 -9.089 1.00 0.00 O ATOM 0 H GLU A 50 -24.682 -3.005 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.849 -2.103 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -25.254 -2.339 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -24.235 -3.359 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.914 -5.247 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -26.611 -4.193 -8.034 1.00 0.00 H new ATOM 640 N LEU A 51 -27.837 -4.504 -5.796 1.00 0.00 N ATOM 641 CA LEU A 51 -28.690 -5.642 -5.487 1.00 0.00 C ATOM 642 C LEU A 51 -27.882 -6.928 -5.380 1.00 0.00 C ATOM 643 O LEU A 51 -26.758 -7.015 -5.875 1.00 0.00 O ATOM 644 CB LEU A 51 -29.765 -5.798 -6.561 1.00 0.00 C ATOM 645 CG LEU A 51 -31.130 -5.228 -6.186 1.00 0.00 C ATOM 646 CD1 LEU A 51 -31.901 -4.825 -7.434 1.00 0.00 C ATOM 647 CD2 LEU A 51 -31.923 -6.236 -5.369 1.00 0.00 C ATOM 0 H LEU A 51 -28.016 -4.085 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 51 -29.161 -5.454 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -29.421 -5.310 -7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -29.879 -6.858 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 51 -30.976 -4.338 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -32.872 -4.421 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -31.339 -4.067 -7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -32.045 -5.698 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -32.893 -5.812 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -32.068 -7.145 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -31.377 -6.475 -4.456 1.00 0.00 H new ATOM 709 N MET A 57 -30.314 -6.212 -1.035 1.00 0.00 N ATOM 710 CA MET A 57 -29.284 -5.197 -1.209 1.00 0.00 C ATOM 711 C MET A 57 -27.933 -5.694 -0.705 1.00 0.00 C ATOM 712 O MET A 57 -27.802 -6.115 0.445 1.00 0.00 O ATOM 713 CB MET A 57 -29.672 -3.912 -0.473 1.00 0.00 C ATOM 714 CG MET A 57 -31.172 -3.674 -0.399 1.00 0.00 C ATOM 715 SD MET A 57 -31.910 -4.335 1.107 1.00 0.00 S ATOM 716 CE MET A 57 -33.491 -3.492 1.104 1.00 0.00 C ATOM 0 HA MET A 57 -29.198 -4.987 -2.275 1.00 0.00 H new ATOM 0 HB2 MET A 57 -29.269 -3.949 0.539 1.00 0.00 H new ATOM 0 HB3 MET A 57 -29.203 -3.064 -0.972 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.369 -2.603 -0.455 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.651 -4.132 -1.264 1.00 0.00 H new ATOM 0 HE1 MET A 57 -34.067 -3.797 1.978 1.00 0.00 H new ATOM 0 HE2 MET A 57 -33.329 -2.415 1.134 1.00 0.00 H new ATOM 0 HE3 MET A 57 -34.040 -3.751 0.199 1.00 0.00 H new ATOM 726 N VAL A 58 -26.932 -5.636 -1.575 1.00 0.00 N ATOM 727 CA VAL A 58 -25.583 -6.066 -1.228 1.00 0.00 C ATOM 728 C VAL A 58 -24.573 -4.957 -1.514 1.00 0.00 C ATOM 729 O VAL A 58 -24.953 -3.821 -1.800 1.00 0.00 O ATOM 730 CB VAL A 58 -25.183 -7.339 -1.999 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.200 -8.445 -1.761 1.00 0.00 C ATOM 732 CG2 VAL A 58 -25.045 -7.041 -3.481 1.00 0.00 C ATOM 0 H VAL A 58 -27.030 -5.294 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.578 -6.291 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.216 -7.680 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -25.903 -9.337 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -26.245 -8.675 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.181 -8.117 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -24.762 -7.951 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -25.996 -6.676 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.277 -6.281 -3.629 1.00 0.00 H new ATOM 742 N TRP A 59 -23.288 -5.291 -1.452 1.00 0.00 N ATOM 743 CA TRP A 59 -22.240 -4.307 -1.690 1.00 0.00 C ATOM 744 C TRP A 59 -21.206 -4.811 -2.692 1.00 0.00 C ATOM 745 O TRP A 59 -20.670 -5.910 -2.550 1.00 0.00 O ATOM 746 CB TRP A 59 -21.544 -3.955 -0.375 1.00 0.00 C ATOM 747 CG TRP A 59 -22.302 -2.968 0.456 1.00 0.00 C ATOM 748 CD1 TRP A 59 -23.145 -3.249 1.490 1.00 0.00 C ATOM 749 CD2 TRP A 59 -22.276 -1.543 0.331 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.647 -2.084 2.019 1.00 0.00 N ATOM 751 CE2 TRP A 59 -23.130 -1.022 1.321 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.614 -0.656 -0.523 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -23.338 0.346 1.477 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.822 0.700 -0.366 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.676 1.189 0.625 1.00 0.00 C ATOM 0 H TRP A 59 -22.949 -6.230 -1.240 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.714 -3.419 -2.110 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.395 -4.867 0.204 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.555 -3.551 -0.593 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.383 -4.242 1.842 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -24.297 -2.020 2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.952 -1.025 -1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.997 0.728 2.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.316 1.394 -1.021 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.817 2.255 0.721 1.00 0.00 H new ATOM 766 N ASN A 60 -20.909 -3.981 -3.687 1.00 0.00 N ATOM 767 CA ASN A 60 -19.897 -4.304 -4.683 1.00 0.00 C ATOM 768 C ASN A 60 -18.516 -4.107 -4.084 1.00 0.00 C ATOM 769 O ASN A 60 -18.402 -3.521 -3.011 1.00 0.00 O ATOM 770 CB ASN A 60 -20.067 -3.424 -5.913 1.00 0.00 C ATOM 771 CG ASN A 60 -20.924 -4.079 -6.978 1.00 0.00 C ATOM 772 OD1 ASN A 60 -20.666 -3.938 -8.174 1.00 0.00 O ATOM 773 ND2 ASN A 60 -21.947 -4.809 -6.548 1.00 0.00 N ATOM 0 H ASN A 60 -21.358 -3.076 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 60 -20.012 -5.345 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.519 -2.477 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.087 -3.194 -6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.555 -5.280 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.124 -4.899 -5.548 1.00 0.00 H new ATOM 780 N PRO A 61 -17.463 -4.612 -4.766 1.00 0.00 N ATOM 781 CA PRO A 61 -16.072 -4.552 -4.344 1.00 0.00 C ATOM 782 C PRO A 61 -15.787 -3.616 -3.172 1.00 0.00 C ATOM 783 O PRO A 61 -15.572 -2.419 -3.343 1.00 0.00 O ATOM 784 CB PRO A 61 -15.410 -4.095 -5.636 1.00 0.00 C ATOM 785 CG PRO A 61 -16.232 -4.746 -6.724 1.00 0.00 C ATOM 786 CD PRO A 61 -17.510 -5.258 -6.076 1.00 0.00 C ATOM 0 HA PRO A 61 -15.709 -5.498 -3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -15.419 -3.009 -5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.367 -4.410 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -16.461 -4.030 -7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -15.680 -5.565 -7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.397 -4.972 -6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.520 -6.345 -5.995 1.00 0.00 H new ATOM 794 N GLU A 62 -15.745 -4.206 -1.979 1.00 0.00 N ATOM 795 CA GLU A 62 -15.524 -3.459 -0.746 1.00 0.00 C ATOM 796 C GLU A 62 -14.073 -3.572 -0.259 1.00 0.00 C ATOM 797 O GLU A 62 -13.206 -2.839 -0.729 1.00 0.00 O ATOM 798 CB GLU A 62 -16.494 -3.943 0.337 1.00 0.00 C ATOM 799 CG GLU A 62 -17.892 -3.378 0.210 1.00 0.00 C ATOM 800 CD GLU A 62 -18.877 -4.038 1.155 1.00 0.00 C ATOM 801 OE1 GLU A 62 -19.531 -3.311 1.933 1.00 0.00 O ATOM 802 OE2 GLU A 62 -18.993 -5.281 1.119 1.00 0.00 O ATOM 0 H GLU A 62 -15.863 -5.210 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.712 -2.406 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.549 -5.031 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.093 -3.676 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.866 -2.307 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.239 -3.504 -0.816 1.00 0.00 H new ATOM 809 N ALA A 63 -13.822 -4.467 0.704 1.00 0.00 N ATOM 810 CA ALA A 63 -12.497 -4.618 1.304 1.00 0.00 C ATOM 811 C ALA A 63 -11.485 -5.245 0.346 1.00 0.00 C ATOM 812 O ALA A 63 -11.501 -6.455 0.122 1.00 0.00 O ATOM 813 CB ALA A 63 -12.596 -5.456 2.569 1.00 0.00 C ATOM 0 H ALA A 63 -14.526 -5.100 1.084 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.137 -3.617 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.606 -5.565 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.259 -4.964 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.994 -6.440 2.323 1.00 0.00 H new ATOM 819 N PRO A 64 -10.537 -4.441 -0.173 1.00 0.00 N ATOM 820 CA PRO A 64 -9.481 -4.911 -1.060 1.00 0.00 C ATOM 821 C PRO A 64 -8.255 -5.356 -0.271 1.00 0.00 C ATOM 822 O PRO A 64 -8.355 -5.665 0.917 1.00 0.00 O ATOM 823 CB PRO A 64 -9.149 -3.664 -1.900 1.00 0.00 C ATOM 824 CG PRO A 64 -9.960 -2.543 -1.317 1.00 0.00 C ATOM 825 CD PRO A 64 -10.408 -3.001 0.038 1.00 0.00 C ATOM 0 HA PRO A 64 -9.783 -5.772 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.084 -3.438 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.400 -3.822 -2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.365 -1.633 -1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.816 -2.313 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.680 -2.763 0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.351 -2.543 0.335 1.00 0.00 H new ATOM 833 N ILE A 65 -7.094 -5.354 -0.916 1.00 0.00 N ATOM 834 CA ILE A 65 -5.859 -5.719 -0.236 1.00 0.00 C ATOM 835 C ILE A 65 -5.170 -4.480 0.312 1.00 0.00 C ATOM 836 O ILE A 65 -5.604 -3.355 0.068 1.00 0.00 O ATOM 837 CB ILE A 65 -4.868 -6.463 -1.149 1.00 0.00 C ATOM 838 CG1 ILE A 65 -5.593 -7.201 -2.270 1.00 0.00 C ATOM 839 CG2 ILE A 65 -4.028 -7.434 -0.335 1.00 0.00 C ATOM 840 CD1 ILE A 65 -4.664 -8.036 -3.116 1.00 0.00 C ATOM 0 H ILE A 65 -6.983 -5.106 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.147 -6.392 0.572 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.211 -5.722 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.361 -7.844 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.103 -6.477 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.332 -7.953 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.470 -6.885 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.680 -8.161 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.235 -8.538 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.912 -7.393 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.173 -8.781 -2.490 1.00 0.00 H new ATOM 852 N CYS A 66 -4.109 -4.696 1.070 1.00 0.00 N ATOM 853 CA CYS A 66 -3.354 -3.595 1.650 1.00 0.00 C ATOM 854 C CYS A 66 -2.069 -4.095 2.297 1.00 0.00 C ATOM 855 O CYS A 66 -2.045 -5.163 2.909 1.00 0.00 O ATOM 856 CB CYS A 66 -4.204 -2.855 2.683 1.00 0.00 C ATOM 857 SG CYS A 66 -4.680 -1.168 2.184 1.00 0.00 S ATOM 0 H CYS A 66 -3.750 -5.623 1.299 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.090 -2.908 0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.107 -3.434 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.652 -2.803 3.622 1.00 0.00 H new ATOM 862 N GLU A 67 -1.008 -3.311 2.169 1.00 0.00 N ATOM 863 CA GLU A 67 0.278 -3.668 2.751 1.00 0.00 C ATOM 864 C GLU A 67 1.247 -2.494 2.684 1.00 0.00 C ATOM 865 O GLU A 67 0.955 -1.469 2.067 1.00 0.00 O ATOM 866 CB GLU A 67 0.871 -4.878 2.027 1.00 0.00 C ATOM 867 CG GLU A 67 1.816 -5.698 2.890 1.00 0.00 C ATOM 868 CD GLU A 67 1.875 -7.153 2.469 1.00 0.00 C ATOM 869 OE1 GLU A 67 2.076 -7.415 1.265 1.00 0.00 O ATOM 870 OE2 GLU A 67 1.722 -8.031 3.345 1.00 0.00 O ATOM 0 H GLU A 67 -1.012 -2.423 1.667 1.00 0.00 H new ATOM 0 HA GLU A 67 0.118 -3.925 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.059 -5.518 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.406 -4.535 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.816 -5.268 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.497 -5.637 3.931 1.00 0.00 H new ATOM 877 N SER A 68 2.397 -2.644 3.328 1.00 0.00 N ATOM 878 CA SER A 68 3.410 -1.598 3.332 1.00 0.00 C ATOM 879 C SER A 68 4.219 -1.629 2.042 1.00 0.00 C ATOM 880 O SER A 68 4.762 -2.666 1.662 1.00 0.00 O ATOM 881 CB SER A 68 4.338 -1.764 4.535 1.00 0.00 C ATOM 882 OG SER A 68 5.268 -2.807 4.316 1.00 0.00 O ATOM 0 H SER A 68 2.651 -3.480 3.854 1.00 0.00 H new ATOM 0 HA SER A 68 2.906 -0.634 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.870 -0.831 4.721 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.749 -1.978 5.427 1.00 0.00 H new ATOM 0 HG SER A 68 5.211 -3.106 3.384 1.00 0.00 H new ATOM 888 N VAL A 69 4.297 -0.481 1.374 1.00 0.00 N ATOM 889 CA VAL A 69 5.030 -0.363 0.115 1.00 0.00 C ATOM 890 C VAL A 69 6.351 -1.122 0.162 1.00 0.00 C ATOM 891 O VAL A 69 7.352 -0.628 0.681 1.00 0.00 O ATOM 892 CB VAL A 69 5.305 1.108 -0.237 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.704 1.882 1.008 1.00 0.00 C ATOM 894 CG2 VAL A 69 4.091 1.737 -0.901 1.00 0.00 C ATOM 0 H VAL A 69 3.859 0.386 1.685 1.00 0.00 H new ATOM 0 HA VAL A 69 4.397 -0.803 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 69 6.133 1.147 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.896 2.922 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.897 1.836 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.606 1.444 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.307 2.778 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.855 1.194 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.240 1.691 -0.222 1.00 0.00 H new ATOM 904 N LYS A 70 6.334 -2.333 -0.379 1.00 0.00 N ATOM 905 CA LYS A 70 7.508 -3.193 -0.382 1.00 0.00 C ATOM 906 C LYS A 70 8.623 -2.631 -1.254 1.00 0.00 C ATOM 907 O LYS A 70 8.409 -2.300 -2.421 1.00 0.00 O ATOM 908 CB LYS A 70 7.131 -4.590 -0.877 1.00 0.00 C ATOM 909 CG LYS A 70 6.625 -5.507 0.221 1.00 0.00 C ATOM 910 CD LYS A 70 7.756 -5.936 1.136 1.00 0.00 C ATOM 911 CE LYS A 70 7.276 -6.895 2.211 1.00 0.00 C ATOM 912 NZ LYS A 70 6.270 -7.859 1.687 1.00 0.00 N ATOM 0 H LYS A 70 5.513 -2.743 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 70 7.876 -3.246 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.363 -4.499 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.001 -5.047 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.857 -4.996 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.157 -6.386 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.540 -6.412 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.199 -5.057 1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.127 -7.443 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.841 -6.329 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.181 -8.660 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.350 -7.384 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.575 -8.208 0.756 1.00 0.00 H new ATOM 926 N CYS A 71 9.823 -2.562 -0.688 1.00 0.00 N ATOM 927 CA CYS A 71 10.995 -2.103 -1.421 1.00 0.00 C ATOM 928 C CYS A 71 12.009 -3.231 -1.516 1.00 0.00 C ATOM 929 O CYS A 71 12.530 -3.700 -0.504 1.00 0.00 O ATOM 930 CB CYS A 71 11.648 -0.880 -0.758 1.00 0.00 C ATOM 931 SG CYS A 71 10.705 -0.126 0.614 1.00 0.00 S ATOM 0 H CYS A 71 10.009 -2.820 0.281 1.00 0.00 H new ATOM 0 HA CYS A 71 10.667 -1.804 -2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.629 -1.173 -0.383 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.813 -0.120 -1.522 1.00 0.00 H new ATOM 936 N GLN A 72 12.271 -3.675 -2.734 1.00 0.00 N ATOM 937 CA GLN A 72 13.199 -4.768 -2.957 1.00 0.00 C ATOM 938 C GLN A 72 14.628 -4.341 -2.648 1.00 0.00 C ATOM 939 O GLN A 72 14.853 -3.332 -1.980 1.00 0.00 O ATOM 940 CB GLN A 72 13.082 -5.256 -4.399 1.00 0.00 C ATOM 941 CG GLN A 72 13.627 -4.275 -5.424 1.00 0.00 C ATOM 942 CD GLN A 72 12.603 -3.236 -5.841 1.00 0.00 C ATOM 943 OE1 GLN A 72 12.876 -2.036 -5.817 1.00 0.00 O ATOM 944 NE2 GLN A 72 11.418 -3.693 -6.230 1.00 0.00 N ATOM 0 H GLN A 72 11.853 -3.294 -3.583 1.00 0.00 H new ATOM 0 HA GLN A 72 12.945 -5.586 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.614 -6.202 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.034 -5.455 -4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.501 -3.772 -5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.961 -4.824 -6.304 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.235 -4.696 -6.234 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.691 -3.041 -6.524 1.00 0.00 H new ATOM 953 N SER A 73 15.592 -5.120 -3.128 1.00 0.00 N ATOM 954 CA SER A 73 17.002 -4.833 -2.889 1.00 0.00 C ATOM 955 C SER A 73 17.314 -3.351 -3.112 1.00 0.00 C ATOM 956 O SER A 73 16.866 -2.758 -4.093 1.00 0.00 O ATOM 957 CB SER A 73 17.870 -5.695 -3.808 1.00 0.00 C ATOM 958 OG SER A 73 19.110 -5.069 -4.082 1.00 0.00 O ATOM 0 H SER A 73 15.422 -5.957 -3.686 1.00 0.00 H new ATOM 0 HA SER A 73 17.225 -5.071 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.045 -6.665 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.340 -5.881 -4.742 1.00 0.00 H new ATOM 0 HG SER A 73 19.823 -5.741 -4.082 1.00 0.00 H new ATOM 964 N PRO A 74 18.084 -2.729 -2.200 1.00 0.00 N ATOM 965 CA PRO A 74 18.444 -1.312 -2.312 1.00 0.00 C ATOM 966 C PRO A 74 19.195 -1.013 -3.608 1.00 0.00 C ATOM 967 O PRO A 74 19.724 -1.919 -4.252 1.00 0.00 O ATOM 968 CB PRO A 74 19.339 -1.055 -1.092 1.00 0.00 C ATOM 969 CG PRO A 74 19.049 -2.175 -0.151 1.00 0.00 C ATOM 970 CD PRO A 74 18.664 -3.353 -0.999 1.00 0.00 C ATOM 0 HA PRO A 74 17.563 -0.671 -2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.392 -1.039 -1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.116 -0.090 -0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.922 -2.405 0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.243 -1.909 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.527 -3.972 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.944 -3.996 -0.492 1.00 0.00 H new ATOM 978 N PRO A 75 19.236 0.266 -4.018 1.00 0.00 N ATOM 979 CA PRO A 75 19.906 0.682 -5.250 1.00 0.00 C ATOM 980 C PRO A 75 21.233 -0.031 -5.475 1.00 0.00 C ATOM 981 O PRO A 75 21.860 -0.517 -4.533 1.00 0.00 O ATOM 982 CB PRO A 75 20.129 2.174 -5.027 1.00 0.00 C ATOM 983 CG PRO A 75 18.981 2.598 -4.175 1.00 0.00 C ATOM 984 CD PRO A 75 18.623 1.410 -3.315 1.00 0.00 C ATOM 0 HA PRO A 75 19.317 0.444 -6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 75 21.082 2.364 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 75 20.146 2.719 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.251 3.455 -3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.133 2.902 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 75 19.017 1.515 -2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.543 1.292 -3.226 1.00 0.00 H new ATOM 992 N SER A 76 21.653 -0.085 -6.734 1.00 0.00 N ATOM 993 CA SER A 76 22.905 -0.733 -7.100 1.00 0.00 C ATOM 994 C SER A 76 23.943 0.299 -7.531 1.00 0.00 C ATOM 995 O SER A 76 24.045 0.636 -8.711 1.00 0.00 O ATOM 996 CB SER A 76 22.669 -1.738 -8.229 1.00 0.00 C ATOM 997 OG SER A 76 21.308 -2.127 -8.292 1.00 0.00 O ATOM 0 H SER A 76 21.141 0.314 -7.521 1.00 0.00 H new ATOM 0 HA SER A 76 23.284 -1.261 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 76 22.969 -1.298 -9.180 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.294 -2.617 -8.074 1.00 0.00 H new ATOM 0 HG SER A 76 21.184 -2.768 -9.023 1.00 0.00 H new ATOM 1003 N ILE A 77 24.716 0.789 -6.568 1.00 0.00 N ATOM 1004 CA ILE A 77 25.737 1.795 -6.841 1.00 0.00 C ATOM 1005 C ILE A 77 26.891 1.216 -7.650 1.00 0.00 C ATOM 1006 O ILE A 77 26.905 0.028 -7.972 1.00 0.00 O ATOM 1007 CB ILE A 77 26.296 2.395 -5.536 1.00 0.00 C ATOM 1008 CG1 ILE A 77 27.042 1.327 -4.730 1.00 0.00 C ATOM 1009 CG2 ILE A 77 25.172 3.002 -4.712 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.957 1.899 -3.669 1.00 0.00 C ATOM 0 H ILE A 77 24.655 0.506 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 77 25.252 2.580 -7.421 1.00 0.00 H new ATOM 0 HB ILE A 77 27.003 3.185 -5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 77 26.315 0.669 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.630 0.713 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 77 25.581 3.422 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.685 3.790 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.444 2.230 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.452 1.086 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.707 2.535 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.372 2.489 -2.964 1.00 0.00 H new ATOM 1022 N SER A 78 27.861 2.066 -7.971 1.00 0.00 N ATOM 1023 CA SER A 78 29.029 1.643 -8.731 1.00 0.00 C ATOM 1024 C SER A 78 30.219 1.420 -7.807 1.00 0.00 C ATOM 1025 O SER A 78 30.382 2.122 -6.809 1.00 0.00 O ATOM 1026 CB SER A 78 29.382 2.690 -9.790 1.00 0.00 C ATOM 1027 OG SER A 78 28.269 2.974 -10.619 1.00 0.00 O ATOM 0 H SER A 78 27.860 3.053 -7.715 1.00 0.00 H new ATOM 0 HA SER A 78 28.790 0.702 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.719 3.605 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 78 30.211 2.330 -10.400 1.00 0.00 H new ATOM 0 HG SER A 78 28.521 3.647 -11.286 1.00 0.00 H new ATOM 1033 N ASN A 79 31.046 0.438 -8.143 1.00 0.00 N ATOM 1034 CA ASN A 79 32.224 0.127 -7.344 1.00 0.00 C ATOM 1035 C ASN A 79 31.834 -0.220 -5.913 1.00 0.00 C ATOM 1036 O ASN A 79 32.619 -0.040 -4.981 1.00 0.00 O ATOM 1037 CB ASN A 79 33.194 1.308 -7.346 1.00 0.00 C ATOM 1038 CG ASN A 79 33.245 2.021 -8.681 1.00 0.00 C ATOM 1039 OD1 ASN A 79 33.717 1.469 -9.675 1.00 0.00 O ATOM 1040 ND2 ASN A 79 32.764 3.256 -8.709 1.00 0.00 N ATOM 0 H ASN A 79 30.923 -0.156 -8.963 1.00 0.00 H new ATOM 0 HA ASN A 79 32.715 -0.739 -7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 79 32.899 2.016 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 79 34.192 0.953 -7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 79 32.776 3.788 -9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 79 32.382 3.674 -7.861 1.00 0.00 H new ATOM 1047 N GLY A 80 30.617 -0.719 -5.748 1.00 0.00 N ATOM 1048 CA GLY A 80 30.135 -1.088 -4.432 1.00 0.00 C ATOM 1049 C GLY A 80 28.883 -1.940 -4.494 1.00 0.00 C ATOM 1050 O GLY A 80 28.539 -2.477 -5.547 1.00 0.00 O ATOM 0 H GLY A 80 29.952 -0.875 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.916 -1.633 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.929 -0.185 -3.857 1.00 0.00 H new ATOM 1054 N ARG A 81 28.196 -2.057 -3.364 1.00 0.00 N ATOM 1055 CA ARG A 81 26.982 -2.857 -3.284 1.00 0.00 C ATOM 1056 C ARG A 81 26.235 -2.590 -1.987 1.00 0.00 C ATOM 1057 O ARG A 81 26.633 -1.744 -1.185 1.00 0.00 O ATOM 1058 CB ARG A 81 27.317 -4.347 -3.378 1.00 0.00 C ATOM 1059 CG ARG A 81 28.541 -4.749 -2.570 1.00 0.00 C ATOM 1060 CD ARG A 81 29.228 -5.963 -3.171 1.00 0.00 C ATOM 1061 NE ARG A 81 30.228 -6.528 -2.270 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.930 -7.155 -1.136 1.00 0.00 C ATOM 1063 NH1 ARG A 81 30.898 -7.639 -0.371 1.00 0.00 N ATOM 1064 NH2 ARG A 81 28.664 -7.300 -0.768 1.00 0.00 N ATOM 0 H ARG A 81 28.461 -1.606 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 81 26.344 -2.574 -4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.460 -4.926 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 81 27.480 -4.609 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 81 29.242 -3.915 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.246 -4.967 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.482 -6.722 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 81 29.704 -5.682 -4.110 1.00 0.00 H new ATOM 0 HE ARG A 81 31.211 -6.437 -2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 81 31.873 -7.531 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 81 30.668 -8.120 0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 81 27.917 -6.930 -1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 81 28.438 -7.781 0.102 1.00 0.00 H new ATOM 1078 N HIS A 82 25.159 -3.335 -1.782 1.00 0.00 N ATOM 1079 CA HIS A 82 24.358 -3.209 -0.573 1.00 0.00 C ATOM 1080 C HIS A 82 24.505 -4.447 0.300 1.00 0.00 C ATOM 1081 O HIS A 82 25.012 -5.477 -0.147 1.00 0.00 O ATOM 1082 CB HIS A 82 22.888 -2.997 -0.927 1.00 0.00 C ATOM 1083 CG HIS A 82 22.359 -4.010 -1.892 1.00 0.00 C ATOM 1084 ND1 HIS A 82 22.172 -5.337 -1.564 1.00 0.00 N ATOM 1085 CD2 HIS A 82 21.991 -3.890 -3.190 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.704 -5.987 -2.614 1.00 0.00 C ATOM 1087 NE2 HIS A 82 21.588 -5.133 -3.614 1.00 0.00 N ATOM 0 H HIS A 82 24.819 -4.036 -2.440 1.00 0.00 H new ATOM 0 HA HIS A 82 24.717 -2.343 -0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.293 -3.030 -0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.764 -2.001 -1.352 1.00 0.00 H new ATOM 0 HD1 HIS A 82 22.365 -5.752 -0.652 1.00 0.00 H new ATOM 0 HD2 HIS A 82 22.011 -2.986 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.458 -7.038 -2.649 1.00 0.00 H new ATOM 1096 N ASN A 83 24.061 -4.342 1.545 1.00 0.00 N ATOM 1097 CA ASN A 83 24.131 -5.463 2.473 1.00 0.00 C ATOM 1098 C ASN A 83 22.841 -6.276 2.422 1.00 0.00 C ATOM 1099 O ASN A 83 22.737 -7.242 1.666 1.00 0.00 O ATOM 1100 CB ASN A 83 24.389 -4.963 3.896 1.00 0.00 C ATOM 1101 CG ASN A 83 25.851 -4.651 4.143 1.00 0.00 C ATOM 1102 OD1 ASN A 83 26.727 -5.102 3.404 1.00 0.00 O ATOM 1103 ND2 ASN A 83 26.122 -3.875 5.185 1.00 0.00 N ATOM 0 H ASN A 83 23.649 -3.494 1.935 1.00 0.00 H new ATOM 0 HA ASN A 83 24.959 -6.107 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 83 23.794 -4.068 4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 83 24.056 -5.717 4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 83 27.088 -3.630 5.401 1.00 0.00 H new ATOM 0 HD22 ASN A 83 25.364 -3.524 5.770 1.00 0.00 H new ATOM 1165 N PHE A 88 13.275 -8.551 0.508 1.00 0.00 N ATOM 1166 CA PHE A 88 12.425 -7.379 0.357 1.00 0.00 C ATOM 1167 C PHE A 88 12.527 -6.464 1.572 1.00 0.00 C ATOM 1168 O PHE A 88 13.217 -6.778 2.542 1.00 0.00 O ATOM 1169 CB PHE A 88 10.971 -7.800 0.151 1.00 0.00 C ATOM 1170 CG PHE A 88 10.586 -7.932 -1.289 1.00 0.00 C ATOM 1171 CD1 PHE A 88 9.953 -6.889 -1.940 1.00 0.00 C ATOM 1172 CD2 PHE A 88 10.854 -9.094 -1.991 1.00 0.00 C ATOM 1173 CE1 PHE A 88 9.594 -7.000 -3.267 1.00 0.00 C ATOM 1174 CE2 PHE A 88 10.497 -9.213 -3.320 1.00 0.00 C ATOM 1175 CZ PHE A 88 9.865 -8.164 -3.960 1.00 0.00 C ATOM 0 HA PHE A 88 12.769 -6.829 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.802 -8.753 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.318 -7.069 0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.737 -5.977 -1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.347 -9.916 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.101 -6.177 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.711 -10.125 -3.858 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.584 -8.254 -4.999 1.00 0.00 H new ATOM 1185 N TYR A 89 11.843 -5.327 1.505 1.00 0.00 N ATOM 1186 CA TYR A 89 11.855 -4.361 2.597 1.00 0.00 C ATOM 1187 C TYR A 89 10.550 -3.574 2.631 1.00 0.00 C ATOM 1188 O TYR A 89 9.816 -3.533 1.645 1.00 0.00 O ATOM 1189 CB TYR A 89 13.045 -3.409 2.447 1.00 0.00 C ATOM 1190 CG TYR A 89 14.383 -4.113 2.443 1.00 0.00 C ATOM 1191 CD1 TYR A 89 14.860 -4.739 1.297 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.168 -4.156 3.588 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.079 -5.387 1.294 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.389 -4.802 3.591 1.00 0.00 C ATOM 1195 CZ TYR A 89 16.839 -5.414 2.442 1.00 0.00 C ATOM 1196 OH TYR A 89 18.053 -6.058 2.442 1.00 0.00 O ATOM 0 H TYR A 89 11.273 -5.052 0.705 1.00 0.00 H new ATOM 0 HA TYR A 89 11.954 -4.903 3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.936 -2.847 1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.026 -2.685 3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.267 -4.718 0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.818 -3.677 4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.435 -5.870 0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.988 -4.827 4.490 1.00 0.00 H new ATOM 0 HH TYR A 89 18.463 -5.983 3.329 1.00 0.00 H new ATOM 1206 N THR A 90 10.254 -2.964 3.774 1.00 0.00 N ATOM 1207 CA THR A 90 9.022 -2.200 3.928 1.00 0.00 C ATOM 1208 C THR A 90 9.299 -0.788 4.427 1.00 0.00 C ATOM 1209 O THR A 90 10.451 -0.390 4.597 1.00 0.00 O ATOM 1210 CB THR A 90 8.073 -2.915 4.892 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.727 -3.210 6.114 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.528 -4.210 4.334 1.00 0.00 C ATOM 0 H THR A 90 10.847 -2.984 4.603 1.00 0.00 H new ATOM 0 HA THR A 90 8.554 -2.126 2.947 1.00 0.00 H new ATOM 0 HB THR A 90 7.242 -2.227 5.050 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.103 -3.665 6.717 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.862 -4.669 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.976 -4.007 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.353 -4.889 4.118 1.00 0.00 H new ATOM 1220 N ASP A 91 8.231 -0.032 4.653 1.00 0.00 N ATOM 1221 CA ASP A 91 8.351 1.339 5.128 1.00 0.00 C ATOM 1222 C ASP A 91 8.943 1.381 6.524 1.00 0.00 C ATOM 1223 O ASP A 91 8.232 1.268 7.523 1.00 0.00 O ATOM 1224 CB ASP A 91 6.991 2.032 5.122 1.00 0.00 C ATOM 1225 CG ASP A 91 5.911 1.200 5.786 1.00 0.00 C ATOM 1226 OD1 ASP A 91 6.221 0.078 6.240 1.00 0.00 O ATOM 1227 OD2 ASP A 91 4.756 1.670 5.853 1.00 0.00 O ATOM 0 H ASP A 91 7.271 -0.347 4.514 1.00 0.00 H new ATOM 0 HA ASP A 91 9.021 1.868 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.073 2.990 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.700 2.245 4.093 1.00 0.00 H new ATOM 1232 N GLY A 92 10.253 1.547 6.578 1.00 0.00 N ATOM 1233 CA GLY A 92 10.940 1.630 7.849 1.00 0.00 C ATOM 1234 C GLY A 92 12.096 0.654 7.965 1.00 0.00 C ATOM 1235 O GLY A 92 12.417 0.193 9.060 1.00 0.00 O ATOM 0 H GLY A 92 10.857 1.626 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.313 2.645 7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.229 1.439 8.653 1.00 0.00 H new ATOM 1239 N SER A 93 12.729 0.342 6.838 1.00 0.00 N ATOM 1240 CA SER A 93 13.863 -0.574 6.833 1.00 0.00 C ATOM 1241 C SER A 93 15.156 0.174 6.533 1.00 0.00 C ATOM 1242 O SER A 93 15.133 1.280 5.994 1.00 0.00 O ATOM 1243 CB SER A 93 13.651 -1.683 5.802 1.00 0.00 C ATOM 1244 OG SER A 93 12.298 -1.746 5.388 1.00 0.00 O ATOM 0 H SER A 93 12.477 0.709 5.920 1.00 0.00 H new ATOM 0 HA SER A 93 13.940 -1.023 7.823 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.291 -1.506 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.949 -2.641 6.228 1.00 0.00 H new ATOM 0 HG SER A 93 12.048 -0.901 4.959 1.00 0.00 H new ATOM 1250 N VAL A 94 16.284 -0.432 6.888 1.00 0.00 N ATOM 1251 CA VAL A 94 17.581 0.187 6.661 1.00 0.00 C ATOM 1252 C VAL A 94 18.585 -0.821 6.110 1.00 0.00 C ATOM 1253 O VAL A 94 18.502 -2.018 6.386 1.00 0.00 O ATOM 1254 CB VAL A 94 18.135 0.813 7.957 1.00 0.00 C ATOM 1255 CG1 VAL A 94 17.202 1.904 8.452 1.00 0.00 C ATOM 1256 CG2 VAL A 94 19.538 1.366 7.743 1.00 0.00 C ATOM 0 H VAL A 94 16.325 -1.349 7.333 1.00 0.00 H new ATOM 0 HA VAL A 94 17.435 0.976 5.924 1.00 0.00 H new ATOM 0 HB VAL A 94 18.196 0.032 8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.604 2.338 9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 94 17.113 2.679 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.219 1.478 8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.903 1.801 8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 94 20.203 0.560 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.513 2.133 6.969 1.00 0.00 H new ATOM 1266 N VAL A 95 19.536 -0.317 5.333 1.00 0.00 N ATOM 1267 CA VAL A 95 20.570 -1.155 4.739 1.00 0.00 C ATOM 1268 C VAL A 95 21.891 -0.403 4.654 1.00 0.00 C ATOM 1269 O VAL A 95 21.913 0.817 4.494 1.00 0.00 O ATOM 1270 CB VAL A 95 20.173 -1.629 3.330 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.165 -2.650 2.798 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.768 -2.203 3.339 1.00 0.00 C ATOM 0 H VAL A 95 19.612 0.673 5.099 1.00 0.00 H new ATOM 0 HA VAL A 95 20.684 -2.026 5.385 1.00 0.00 H new ATOM 0 HB VAL A 95 20.190 -0.766 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.860 -2.968 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.157 -2.202 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.190 -3.514 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.503 -2.533 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.726 -3.051 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 95 18.064 -1.438 3.666 1.00 0.00 H new ATOM 1282 N THR A 96 22.990 -1.137 4.765 1.00 0.00 N ATOM 1283 CA THR A 96 24.314 -0.537 4.705 1.00 0.00 C ATOM 1284 C THR A 96 25.039 -0.941 3.429 1.00 0.00 C ATOM 1285 O THR A 96 25.210 -2.127 3.147 1.00 0.00 O ATOM 1286 CB THR A 96 25.138 -0.945 5.928 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.511 -2.009 6.623 1.00 0.00 O ATOM 1288 CG2 THR A 96 25.346 0.188 6.907 1.00 0.00 C ATOM 0 H THR A 96 22.990 -2.148 4.897 1.00 0.00 H new ATOM 0 HA THR A 96 24.194 0.546 4.702 1.00 0.00 H new ATOM 0 HB THR A 96 26.109 -1.250 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 96 25.054 -2.257 7.400 1.00 0.00 H new ATOM 0 HG21 THR A 96 25.937 -0.165 7.752 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.872 1.005 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 96 24.379 0.543 7.264 1.00 0.00 H new ATOM 1296 N TYR A 97 25.455 0.054 2.657 1.00 0.00 N ATOM 1297 CA TYR A 97 26.157 -0.195 1.404 1.00 0.00 C ATOM 1298 C TYR A 97 27.625 -0.518 1.662 1.00 0.00 C ATOM 1299 O TYR A 97 28.170 -0.167 2.708 1.00 0.00 O ATOM 1300 CB TYR A 97 26.025 1.012 0.474 1.00 0.00 C ATOM 1301 CG TYR A 97 24.750 1.011 -0.336 1.00 0.00 C ATOM 1302 CD1 TYR A 97 24.783 1.153 -1.715 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.512 0.871 0.281 1.00 0.00 C ATOM 1304 CE1 TYR A 97 23.618 1.154 -2.459 1.00 0.00 C ATOM 1305 CE2 TYR A 97 22.346 0.869 -0.455 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.403 1.012 -1.825 1.00 0.00 C ATOM 1307 OH TYR A 97 21.242 1.013 -2.562 1.00 0.00 O ATOM 0 H TYR A 97 25.319 1.041 2.876 1.00 0.00 H new ATOM 0 HA TYR A 97 25.702 -1.058 0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 97 26.068 1.925 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.878 1.033 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 97 25.734 1.265 -2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.463 0.762 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 97 23.660 1.266 -3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.393 0.756 0.039 1.00 0.00 H new ATOM 0 HH TYR A 97 21.246 0.253 -3.180 1.00 0.00 H new ATOM 1317 N SER A 98 28.254 -1.214 0.718 1.00 0.00 N ATOM 1318 CA SER A 98 29.648 -1.617 0.879 1.00 0.00 C ATOM 1319 C SER A 98 30.374 -1.713 -0.459 1.00 0.00 C ATOM 1320 O SER A 98 29.794 -2.110 -1.463 1.00 0.00 O ATOM 1321 CB SER A 98 29.718 -2.967 1.592 1.00 0.00 C ATOM 1322 OG SER A 98 29.688 -4.039 0.665 1.00 0.00 O ATOM 0 H SER A 98 27.825 -1.508 -0.159 1.00 0.00 H new ATOM 0 HA SER A 98 30.143 -0.850 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.631 -3.021 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.882 -3.059 2.285 1.00 0.00 H new ATOM 0 HG SER A 98 29.736 -4.890 1.148 1.00 0.00 H new ATOM 1328 N CYS A 99 31.672 -1.437 -0.434 1.00 0.00 N ATOM 1329 CA CYS A 99 32.500 -1.488 -1.624 1.00 0.00 C ATOM 1330 C CYS A 99 32.677 -2.916 -2.121 1.00 0.00 C ATOM 1331 O CYS A 99 32.573 -3.870 -1.350 1.00 0.00 O ATOM 1332 CB CYS A 99 33.852 -0.873 -1.288 1.00 0.00 C ATOM 1333 SG CYS A 99 33.702 0.728 -0.428 1.00 0.00 S ATOM 0 H CYS A 99 32.176 -1.172 0.412 1.00 0.00 H new ATOM 0 HA CYS A 99 32.015 -0.929 -2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 99 34.416 -1.565 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 99 34.422 -0.735 -2.207 1.00 0.00 H new ATOM 1338 N ASN A 100 32.943 -3.056 -3.416 1.00 0.00 N ATOM 1339 CA ASN A 100 33.091 -4.374 -4.021 1.00 0.00 C ATOM 1340 C ASN A 100 34.415 -5.036 -3.641 1.00 0.00 C ATOM 1341 O ASN A 100 34.475 -5.809 -2.685 1.00 0.00 O ATOM 1342 CB ASN A 100 32.962 -4.278 -5.542 1.00 0.00 C ATOM 1343 CG ASN A 100 31.604 -3.769 -5.971 1.00 0.00 C ATOM 1344 OD1 ASN A 100 30.574 -4.182 -5.438 1.00 0.00 O ATOM 1345 ND2 ASN A 100 31.598 -2.857 -6.931 1.00 0.00 N ATOM 0 H ASN A 100 33.060 -2.277 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 100 32.290 -5.002 -3.632 1.00 0.00 H new ATOM 0 HB2 ASN A 100 33.735 -3.614 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 100 33.135 -5.260 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 100 30.714 -2.467 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 100 32.477 -2.545 -7.343 1.00 0.00 H new ATOM 1352 N SER A 101 35.463 -4.768 -4.415 1.00 0.00 N ATOM 1353 CA SER A 101 36.761 -5.383 -4.177 1.00 0.00 C ATOM 1354 C SER A 101 37.502 -4.708 -3.029 1.00 0.00 C ATOM 1355 O SER A 101 38.091 -5.379 -2.182 1.00 0.00 O ATOM 1356 CB SER A 101 37.612 -5.323 -5.447 1.00 0.00 C ATOM 1357 OG SER A 101 37.827 -6.619 -5.980 1.00 0.00 O ATOM 0 H SER A 101 35.437 -4.130 -5.210 1.00 0.00 H new ATOM 0 HA SER A 101 36.587 -6.423 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 101 37.117 -4.698 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 101 38.571 -4.855 -5.224 1.00 0.00 H new ATOM 0 HG SER A 101 38.372 -6.553 -6.792 1.00 0.00 H new ATOM 1363 N GLY A 102 37.478 -3.381 -3.008 1.00 0.00 N ATOM 1364 CA GLY A 102 38.196 -2.655 -1.989 1.00 0.00 C ATOM 1365 C GLY A 102 38.088 -1.159 -2.141 1.00 0.00 C ATOM 1366 O GLY A 102 39.022 -0.421 -1.829 1.00 0.00 O ATOM 0 H GLY A 102 36.974 -2.800 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 102 37.815 -2.943 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 102 39.247 -2.942 -2.019 1.00 0.00 H new ATOM 1370 N TYR A 103 36.959 -0.720 -2.648 1.00 0.00 N ATOM 1371 CA TYR A 103 36.705 0.684 -2.866 1.00 0.00 C ATOM 1372 C TYR A 103 36.465 1.395 -1.534 1.00 0.00 C ATOM 1373 O TYR A 103 36.786 0.855 -0.475 1.00 0.00 O ATOM 1374 CB TYR A 103 35.491 0.792 -3.780 1.00 0.00 C ATOM 1375 CG TYR A 103 35.823 1.219 -5.191 1.00 0.00 C ATOM 1376 CD1 TYR A 103 36.413 0.328 -6.077 1.00 0.00 C ATOM 1377 CD2 TYR A 103 35.524 2.490 -5.643 1.00 0.00 C ATOM 1378 CE1 TYR A 103 36.710 0.703 -7.374 1.00 0.00 C ATOM 1379 CE2 TYR A 103 35.813 2.877 -6.939 1.00 0.00 C ATOM 1380 CZ TYR A 103 36.403 1.978 -7.802 1.00 0.00 C ATOM 1381 OH TYR A 103 36.704 2.360 -9.089 1.00 0.00 O ATOM 0 H TYR A 103 36.188 -1.330 -2.922 1.00 0.00 H new ATOM 0 HA TYR A 103 37.564 1.166 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 103 34.986 -0.173 -3.812 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.788 1.506 -3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 103 36.644 -0.674 -5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 103 35.056 3.195 -4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 103 37.180 0.002 -8.048 1.00 0.00 H new ATOM 0 HE2 TYR A 103 35.578 3.877 -7.273 1.00 0.00 H new ATOM 0 HH TYR A 103 35.934 2.188 -9.670 1.00 0.00 H new ATOM 1391 N SER A 104 35.862 2.581 -1.577 1.00 0.00 N ATOM 1392 CA SER A 104 35.538 3.315 -0.352 1.00 0.00 C ATOM 1393 C SER A 104 34.188 4.006 -0.478 1.00 0.00 C ATOM 1394 O SER A 104 33.999 4.875 -1.327 1.00 0.00 O ATOM 1395 CB SER A 104 36.608 4.346 -0.029 1.00 0.00 C ATOM 1396 OG SER A 104 36.605 4.670 1.351 1.00 0.00 O ATOM 0 H SER A 104 35.589 3.053 -2.439 1.00 0.00 H new ATOM 0 HA SER A 104 35.495 2.590 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 104 37.587 3.960 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 104 36.438 5.248 -0.618 1.00 0.00 H new ATOM 0 HG SER A 104 37.303 5.333 1.533 1.00 0.00 H new ATOM 1402 N LEU A 105 33.258 3.606 0.376 1.00 0.00 N ATOM 1403 CA LEU A 105 31.911 4.135 0.361 1.00 0.00 C ATOM 1404 C LEU A 105 31.887 5.634 0.562 1.00 0.00 C ATOM 1405 O LEU A 105 32.617 6.191 1.382 1.00 0.00 O ATOM 1406 CB LEU A 105 31.056 3.461 1.426 1.00 0.00 C ATOM 1407 CG LEU A 105 29.684 3.017 0.928 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.647 1.511 0.757 1.00 0.00 C ATOM 1409 CD2 LEU A 105 28.590 3.488 1.871 1.00 0.00 C ATOM 0 H LEU A 105 33.421 2.904 1.098 1.00 0.00 H new ATOM 0 HA LEU A 105 31.498 3.921 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.590 2.592 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 105 30.923 4.149 2.261 1.00 0.00 H new ATOM 0 HG LEU A 105 29.504 3.474 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.662 1.209 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.403 1.208 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.850 1.031 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.620 3.160 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 105 28.757 3.066 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.606 4.576 1.932 1.00 0.00 H new ATOM 1421 N ILE A 106 31.005 6.260 -0.183 1.00 0.00 N ATOM 1422 CA ILE A 106 30.810 7.690 -0.130 1.00 0.00 C ATOM 1423 C ILE A 106 29.461 8.011 0.503 1.00 0.00 C ATOM 1424 O ILE A 106 28.561 7.172 0.523 1.00 0.00 O ATOM 1425 CB ILE A 106 30.873 8.283 -1.545 1.00 0.00 C ATOM 1426 CG1 ILE A 106 32.252 8.035 -2.153 1.00 0.00 C ATOM 1427 CG2 ILE A 106 30.549 9.769 -1.527 1.00 0.00 C ATOM 1428 CD1 ILE A 106 33.365 8.770 -1.444 1.00 0.00 C ATOM 0 H ILE A 106 30.396 5.785 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 106 31.602 8.129 0.476 1.00 0.00 H new ATOM 0 HB ILE A 106 30.124 7.788 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 106 32.463 6.966 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 106 32.238 8.336 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 106 30.600 10.165 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 106 29.545 9.918 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 106 31.269 10.291 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 106 34.315 8.547 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 106 33.178 9.843 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 106 33.406 8.451 -0.403 1.00 0.00 H new ATOM 1440 N GLY A 107 29.326 9.224 1.018 1.00 0.00 N ATOM 1441 CA GLY A 107 28.087 9.615 1.657 1.00 0.00 C ATOM 1442 C GLY A 107 27.802 8.792 2.894 1.00 0.00 C ATOM 1443 O GLY A 107 28.636 8.697 3.794 1.00 0.00 O ATOM 0 H GLY A 107 30.050 9.942 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.136 10.670 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.264 9.504 0.951 1.00 0.00 H new ATOM 1447 N ASN A 108 26.626 8.184 2.928 1.00 0.00 N ATOM 1448 CA ASN A 108 26.230 7.348 4.057 1.00 0.00 C ATOM 1449 C ASN A 108 25.873 5.941 3.591 1.00 0.00 C ATOM 1450 O ASN A 108 25.101 5.765 2.649 1.00 0.00 O ATOM 1451 CB ASN A 108 25.041 7.967 4.795 1.00 0.00 C ATOM 1452 CG ASN A 108 25.111 9.481 4.851 1.00 0.00 C ATOM 1453 OD1 ASN A 108 25.648 10.055 5.799 1.00 0.00 O ATOM 1454 ND2 ASN A 108 24.563 10.137 3.835 1.00 0.00 N ATOM 0 H ASN A 108 25.927 8.252 2.188 1.00 0.00 H new ATOM 0 HA ASN A 108 27.077 7.286 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 108 24.116 7.668 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 108 25.003 7.571 5.810 1.00 0.00 H new ATOM 0 HD21 ASN A 108 24.577 11.157 3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 108 24.128 9.621 3.070 1.00 0.00 H new ATOM 1461 N SER A 109 26.439 4.942 4.260 1.00 0.00 N ATOM 1462 CA SER A 109 26.180 3.548 3.918 1.00 0.00 C ATOM 1463 C SER A 109 24.726 3.182 4.195 1.00 0.00 C ATOM 1464 O SER A 109 24.142 2.349 3.503 1.00 0.00 O ATOM 1465 CB SER A 109 27.114 2.624 4.701 1.00 0.00 C ATOM 1466 OG SER A 109 26.567 1.322 4.814 1.00 0.00 O ATOM 0 H SER A 109 27.080 5.072 5.042 1.00 0.00 H new ATOM 0 HA SER A 109 26.370 3.420 2.852 1.00 0.00 H new ATOM 0 HB2 SER A 109 28.082 2.573 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.289 3.036 5.695 1.00 0.00 H new ATOM 0 HG SER A 109 27.250 0.709 5.158 1.00 0.00 H new ATOM 1472 N GLY A 110 24.145 3.825 5.201 1.00 0.00 N ATOM 1473 CA GLY A 110 22.768 3.550 5.565 1.00 0.00 C ATOM 1474 C GLY A 110 21.771 4.033 4.527 1.00 0.00 C ATOM 1475 O GLY A 110 21.908 5.130 3.987 1.00 0.00 O ATOM 0 H GLY A 110 24.605 4.534 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.643 2.477 5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 110 22.549 4.027 6.520 1.00 0.00 H new ATOM 1479 N VAL A 111 20.758 3.212 4.260 1.00 0.00 N ATOM 1480 CA VAL A 111 19.716 3.561 3.298 1.00 0.00 C ATOM 1481 C VAL A 111 18.334 3.247 3.861 1.00 0.00 C ATOM 1482 O VAL A 111 18.030 2.096 4.171 1.00 0.00 O ATOM 1483 CB VAL A 111 19.892 2.812 1.970 1.00 0.00 C ATOM 1484 CG1 VAL A 111 19.109 3.501 0.863 1.00 0.00 C ATOM 1485 CG2 VAL A 111 21.363 2.699 1.602 1.00 0.00 C ATOM 0 H VAL A 111 20.637 2.299 4.697 1.00 0.00 H new ATOM 0 HA VAL A 111 19.806 4.631 3.111 1.00 0.00 H new ATOM 0 HB VAL A 111 19.499 1.803 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.245 2.957 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.050 3.518 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.470 4.523 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.462 2.164 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.790 3.697 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.893 2.155 2.384 1.00 0.00 H new ATOM 1495 N LEU A 112 17.498 4.274 3.989 1.00 0.00 N ATOM 1496 CA LEU A 112 16.154 4.102 4.534 1.00 0.00 C ATOM 1497 C LEU A 112 15.191 3.553 3.490 1.00 0.00 C ATOM 1498 O LEU A 112 15.018 4.137 2.419 1.00 0.00 O ATOM 1499 CB LEU A 112 15.618 5.436 5.067 1.00 0.00 C ATOM 1500 CG LEU A 112 14.126 5.443 5.430 1.00 0.00 C ATOM 1501 CD1 LEU A 112 13.655 6.860 5.720 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.865 4.539 6.625 1.00 0.00 C ATOM 0 H LEU A 112 17.727 5.232 3.724 1.00 0.00 H new ATOM 0 HA LEU A 112 16.225 3.383 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.192 5.713 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.797 6.207 4.317 1.00 0.00 H new ATOM 0 HG LEU A 112 13.562 5.061 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.595 6.846 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 112 14.224 7.269 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.807 7.482 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.803 4.556 6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.166 3.520 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.439 4.893 7.481 1.00 0.00 H new ATOM 1514 N CYS A 113 14.533 2.451 3.829 1.00 0.00 N ATOM 1515 CA CYS A 113 13.525 1.869 2.961 1.00 0.00 C ATOM 1516 C CYS A 113 12.161 2.432 3.327 1.00 0.00 C ATOM 1517 O CYS A 113 11.599 2.093 4.370 1.00 0.00 O ATOM 1518 CB CYS A 113 13.512 0.347 3.093 1.00 0.00 C ATOM 1519 SG CYS A 113 12.102 -0.466 2.271 1.00 0.00 S ATOM 0 H CYS A 113 14.682 1.944 4.701 1.00 0.00 H new ATOM 0 HA CYS A 113 13.761 2.121 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.438 -0.050 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.500 0.086 4.151 1.00 0.00 H new ATOM 1524 N SER A 114 11.652 3.321 2.490 1.00 0.00 N ATOM 1525 CA SER A 114 10.369 3.953 2.751 1.00 0.00 C ATOM 1526 C SER A 114 9.642 4.286 1.457 1.00 0.00 C ATOM 1527 O SER A 114 10.239 4.313 0.381 1.00 0.00 O ATOM 1528 CB SER A 114 10.566 5.225 3.577 1.00 0.00 C ATOM 1529 OG SER A 114 9.731 5.226 4.721 1.00 0.00 O ATOM 0 H SER A 114 12.106 3.621 1.627 1.00 0.00 H new ATOM 0 HA SER A 114 9.758 3.247 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.609 5.305 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.347 6.098 2.963 1.00 0.00 H new ATOM 0 HG SER A 114 9.878 6.049 5.232 1.00 0.00 H new ATOM 1535 N GLY A 115 8.345 4.535 1.577 1.00 0.00 N ATOM 1536 CA GLY A 115 7.535 4.869 0.417 1.00 0.00 C ATOM 1537 C GLY A 115 7.788 3.946 -0.760 1.00 0.00 C ATOM 1538 O GLY A 115 7.672 4.357 -1.915 1.00 0.00 O ATOM 0 H GLY A 115 7.835 4.512 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.481 4.822 0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.742 5.897 0.118 1.00 0.00 H new ATOM 1542 N GLY A 116 8.135 2.696 -0.468 1.00 0.00 N ATOM 1543 CA GLY A 116 8.409 1.737 -1.522 1.00 0.00 C ATOM 1544 C GLY A 116 9.681 2.056 -2.284 1.00 0.00 C ATOM 1545 O GLY A 116 9.906 1.532 -3.375 1.00 0.00 O ATOM 0 H GLY A 116 8.231 2.331 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.489 0.740 -1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.569 1.716 -2.217 1.00 0.00 H new ATOM 1549 N GLU A 117 10.516 2.917 -1.709 1.00 0.00 N ATOM 1550 CA GLU A 117 11.772 3.300 -2.336 1.00 0.00 C ATOM 1551 C GLU A 117 12.874 3.432 -1.295 1.00 0.00 C ATOM 1552 O GLU A 117 12.647 3.220 -0.103 1.00 0.00 O ATOM 1553 CB GLU A 117 11.610 4.622 -3.087 1.00 0.00 C ATOM 1554 CG GLU A 117 11.371 5.814 -2.174 1.00 0.00 C ATOM 1555 CD GLU A 117 11.503 7.140 -2.897 1.00 0.00 C ATOM 1556 OE1 GLU A 117 12.647 7.551 -3.180 1.00 0.00 O ATOM 1557 OE2 GLU A 117 10.460 7.768 -3.179 1.00 0.00 O ATOM 0 H GLU A 117 10.343 3.362 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 117 12.050 2.519 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.505 4.804 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.776 4.535 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.374 5.739 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 117 12.082 5.783 -1.348 1.00 0.00 H new ATOM 1564 N TRP A 118 14.066 3.795 -1.749 1.00 0.00 N ATOM 1565 CA TRP A 118 15.204 3.954 -0.861 1.00 0.00 C ATOM 1566 C TRP A 118 15.689 5.397 -0.852 1.00 0.00 C ATOM 1567 O TRP A 118 15.684 6.071 -1.882 1.00 0.00 O ATOM 1568 CB TRP A 118 16.333 3.026 -1.296 1.00 0.00 C ATOM 1569 CG TRP A 118 16.008 1.577 -1.115 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.432 0.747 -2.033 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.228 0.790 0.059 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.285 -0.511 -1.502 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.766 -0.510 -0.219 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.772 1.056 1.318 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.833 -1.539 0.714 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.838 0.032 2.245 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.375 -1.254 1.936 1.00 0.00 C ATOM 0 H TRP A 118 14.268 3.985 -2.731 1.00 0.00 H new ATOM 0 HA TRP A 118 14.891 3.693 0.150 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.563 3.212 -2.345 1.00 0.00 H new ATOM 0 HB3 TRP A 118 17.231 3.264 -0.726 1.00 0.00 H new ATOM 0 HD1 TRP A 118 15.135 1.037 -3.030 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.883 -1.315 -1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 118 17.134 2.043 1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.469 -2.529 0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.253 0.227 3.223 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.448 -2.035 2.678 1.00 0.00 H new ATOM 1588 N SER A 119 16.108 5.867 0.317 1.00 0.00 N ATOM 1589 CA SER A 119 16.591 7.233 0.457 1.00 0.00 C ATOM 1590 C SER A 119 17.983 7.263 1.076 1.00 0.00 C ATOM 1591 O SER A 119 18.327 6.419 1.903 1.00 0.00 O ATOM 1592 CB SER A 119 15.623 8.051 1.314 1.00 0.00 C ATOM 1593 OG SER A 119 14.673 7.214 1.950 1.00 0.00 O ATOM 0 H SER A 119 16.123 5.323 1.179 1.00 0.00 H new ATOM 0 HA SER A 119 16.649 7.672 -0.539 1.00 0.00 H new ATOM 0 HB2 SER A 119 16.181 8.610 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.108 8.782 0.690 1.00 0.00 H new ATOM 0 HG SER A 119 14.067 7.760 2.493 1.00 0.00 H new ATOM 1599 N ASP A 120 18.778 8.246 0.670 1.00 0.00 N ATOM 1600 CA ASP A 120 20.130 8.411 1.190 1.00 0.00 C ATOM 1601 C ASP A 120 21.073 7.310 0.704 1.00 0.00 C ATOM 1602 O ASP A 120 21.852 6.766 1.486 1.00 0.00 O ATOM 1603 CB ASP A 120 20.102 8.427 2.718 1.00 0.00 C ATOM 1604 CG ASP A 120 20.988 9.509 3.302 1.00 0.00 C ATOM 1605 OD1 ASP A 120 20.486 10.630 3.529 1.00 0.00 O ATOM 1606 OD2 ASP A 120 22.185 9.236 3.531 1.00 0.00 O ATOM 0 H ASP A 120 18.507 8.945 -0.022 1.00 0.00 H new ATOM 0 HA ASP A 120 20.510 9.361 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 120 19.077 8.578 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 120 20.423 7.456 3.095 1.00 0.00 H new ATOM 1611 N PRO A 121 21.042 6.983 -0.600 1.00 0.00 N ATOM 1612 CA PRO A 121 21.935 5.978 -1.177 1.00 0.00 C ATOM 1613 C PRO A 121 23.334 6.542 -1.398 1.00 0.00 C ATOM 1614 O PRO A 121 23.485 7.652 -1.908 1.00 0.00 O ATOM 1615 CB PRO A 121 21.269 5.651 -2.510 1.00 0.00 C ATOM 1616 CG PRO A 121 20.590 6.919 -2.903 1.00 0.00 C ATOM 1617 CD PRO A 121 20.167 7.591 -1.620 1.00 0.00 C ATOM 0 HA PRO A 121 22.068 5.109 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 121 22.002 5.344 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.556 4.833 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 121 21.263 7.559 -3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 121 19.728 6.717 -3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 121 20.302 8.671 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.114 7.411 -1.402 1.00 0.00 H new ATOM 1625 N PRO A 122 24.381 5.802 -1.002 1.00 0.00 N ATOM 1626 CA PRO A 122 25.753 6.264 -1.123 1.00 0.00 C ATOM 1627 C PRO A 122 26.432 5.827 -2.404 1.00 0.00 C ATOM 1628 O PRO A 122 25.822 5.231 -3.292 1.00 0.00 O ATOM 1629 CB PRO A 122 26.435 5.590 0.062 1.00 0.00 C ATOM 1630 CG PRO A 122 25.687 4.307 0.255 1.00 0.00 C ATOM 1631 CD PRO A 122 24.317 4.479 -0.360 1.00 0.00 C ATOM 0 HA PRO A 122 25.803 7.353 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 122 27.490 5.406 -0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 122 26.386 6.214 0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 122 26.217 3.480 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 122 25.603 4.068 1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 122 24.103 3.693 -1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 122 23.532 4.439 0.395 1.00 0.00 H new ATOM 1639 N THR A 123 27.716 6.119 -2.458 1.00 0.00 N ATOM 1640 CA THR A 123 28.571 5.722 -3.561 1.00 0.00 C ATOM 1641 C THR A 123 29.784 5.056 -3.006 1.00 0.00 C ATOM 1642 O THR A 123 29.837 4.725 -1.822 1.00 0.00 O ATOM 1643 CB THR A 123 28.971 6.930 -4.412 1.00 0.00 C ATOM 1644 OG1 THR A 123 28.181 8.059 -4.083 1.00 0.00 O ATOM 1645 CG2 THR A 123 28.836 6.690 -5.899 1.00 0.00 C ATOM 0 H THR A 123 28.201 6.644 -1.730 1.00 0.00 H new ATOM 0 HA THR A 123 28.027 5.032 -4.207 1.00 0.00 H new ATOM 0 HB THR A 123 30.023 7.105 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 123 28.453 8.821 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 123 29.136 7.587 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 123 29.475 5.858 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 123 27.799 6.452 -6.137 1.00 0.00 H new ATOM 1653 N CYS A 124 30.743 4.821 -3.852 1.00 0.00 N ATOM 1654 CA CYS A 124 31.916 4.143 -3.414 1.00 0.00 C ATOM 1655 C CYS A 124 33.054 4.368 -4.371 1.00 0.00 C ATOM 1656 O CYS A 124 33.071 3.871 -5.494 1.00 0.00 O ATOM 1657 CB CYS A 124 31.596 2.677 -3.238 1.00 0.00 C ATOM 1658 SG CYS A 124 32.621 1.829 -2.003 1.00 0.00 S ATOM 0 H CYS A 124 30.733 5.087 -4.837 1.00 0.00 H new ATOM 0 HA CYS A 124 32.240 4.543 -2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 124 30.549 2.578 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 124 31.714 2.174 -4.198 1.00 0.00 H new ATOM 1663 N GLN A 125 33.962 5.195 -3.917 1.00 0.00 N ATOM 1664 CA GLN A 125 35.139 5.556 -4.682 1.00 0.00 C ATOM 1665 C GLN A 125 36.386 4.992 -4.028 1.00 0.00 C ATOM 1666 O GLN A 125 36.416 4.757 -2.820 1.00 0.00 O ATOM 1667 CB GLN A 125 35.255 7.073 -4.807 1.00 0.00 C ATOM 1668 CG GLN A 125 34.365 7.655 -5.890 1.00 0.00 C ATOM 1669 CD GLN A 125 33.807 9.015 -5.520 1.00 0.00 C ATOM 1670 OE1 GLN A 125 34.553 9.934 -5.182 1.00 0.00 O ATOM 1671 NE2 GLN A 125 32.488 9.152 -5.585 1.00 0.00 N ATOM 0 H GLN A 125 33.909 5.642 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 125 35.041 5.131 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 125 34.999 7.530 -3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 125 36.292 7.335 -5.018 1.00 0.00 H new ATOM 0 HG2 GLN A 125 34.934 7.740 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.540 6.969 -6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.907 8.364 -5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 125 32.056 10.045 -5.350 1.00 0.00 H new ATOM 1680 N ILE A 126 37.400 4.753 -4.838 1.00 0.00 N ATOM 1681 CA ILE A 126 38.658 4.215 -4.343 1.00 0.00 C ATOM 1682 C ILE A 126 39.325 5.224 -3.408 1.00 0.00 C ATOM 1683 O ILE A 126 40.284 5.902 -3.776 1.00 0.00 O ATOM 1684 CB ILE A 126 39.596 3.812 -5.514 1.00 0.00 C ATOM 1685 CG1 ILE A 126 39.135 2.468 -6.088 1.00 0.00 C ATOM 1686 CG2 ILE A 126 41.064 3.732 -5.090 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.553 1.269 -5.262 1.00 0.00 C ATOM 0 H ILE A 126 37.379 4.922 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 126 38.451 3.308 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 126 39.532 4.589 -6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 126 38.049 2.475 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 126 39.535 2.359 -7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 126 41.675 3.447 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 126 41.389 4.704 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 126 41.175 2.988 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 126 39.189 0.357 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.640 1.234 -5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 126 39.131 1.352 -4.260 1.00 0.00 H new