USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1029 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 26 SER OG : rot 158:sc= -0.451 USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -136:sc= -3.22! (180deg=-8.84!) USER MOD Single : A 4 THR OG1 : rot 92:sc= 0.825 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 85:sc= -1.26 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HE2:sc= -0.0652 K(o=-0.065,f=-4.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 49 MET CE :methyl 146:sc= -0.255 (180deg=-1.14) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 MET CE :methyl 179:sc= -0.0314 (180deg=-0.035) USER MOD Single : A 71 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.4!) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.36 F(o=-1.9,f=-0.36) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00808 USER MOD Single : A 79 ASN : amide:sc= -0.0345 X(o=-0.035,f=0) USER MOD Single : A 86 THR OG1 : rot 6:sc= 1.06 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 70:sc= 0.906 USER MOD Single : A 102 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.3) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.6!) USER MOD Single : A 112 LYS NZ :NH3+ -143:sc=-0.00881 (180deg=-0.612) USER MOD Single : A 116 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.4!) USER MOD Single : A 124 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN :FLIP amide:sc= 0.706 F(o=-0.0037,f=0.71) USER MOD Single : A 131 THR OG1 : rot -19:sc= 1.01 USER MOD Single : A 133 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 134 SER OG : rot 180:sc= 0.0638 USER MOD ----------------------------------------------------------------- ATOM 18 N VAL A 2 2.748 4.215 -1.651 1.00 12.32 N ATOM 19 CA VAL A 2 2.531 3.510 -0.393 1.00 42.22 C ATOM 20 C VAL A 2 2.194 4.483 0.731 1.00 34.11 C ATOM 21 O VAL A 2 1.609 4.098 1.744 1.00 43.34 O ATOM 22 CB VAL A 2 3.769 2.687 0.009 1.00 3.24 C ATOM 23 CG1 VAL A 2 3.489 1.882 1.269 1.00 2.32 C ATOM 24 CG2 VAL A 2 4.197 1.776 -1.131 1.00 52.13 C ATOM 0 HA VAL A 2 1.690 2.835 -0.549 1.00 42.22 H new ATOM 0 HB VAL A 2 4.588 3.375 0.220 1.00 3.24 H new ATOM 0 HG11 VAL A 2 4.375 1.307 1.538 1.00 2.32 H new ATOM 0 HG12 VAL A 2 3.235 2.559 2.084 1.00 2.32 H new ATOM 0 HG13 VAL A 2 2.656 1.202 1.089 1.00 2.32 H new ATOM 0 HG21 VAL A 2 5.073 1.202 -0.829 1.00 52.13 H new ATOM 0 HG22 VAL A 2 3.383 1.094 -1.377 1.00 52.13 H new ATOM 0 HG23 VAL A 2 4.442 2.378 -2.006 1.00 52.13 H new ATOM 34 N MET A 3 2.565 5.745 0.545 1.00 1.34 N ATOM 35 CA MET A 3 2.300 6.774 1.544 1.00 51.50 C ATOM 36 C MET A 3 1.030 7.548 1.203 1.00 30.15 C ATOM 37 O MET A 3 0.556 7.515 0.067 1.00 11.03 O ATOM 38 CB MET A 3 3.485 7.736 1.644 1.00 45.23 C ATOM 39 CG MET A 3 3.690 8.306 3.038 1.00 41.11 C ATOM 40 SD MET A 3 4.109 10.060 3.017 1.00 74.21 S ATOM 41 CE MET A 3 5.418 10.081 1.795 1.00 21.21 C ATOM 0 H MET A 3 3.050 6.080 -0.288 1.00 1.34 H new ATOM 0 HA MET A 3 2.158 6.282 2.506 1.00 51.50 H new ATOM 0 HB2 MET A 3 4.392 7.215 1.336 1.00 45.23 H new ATOM 0 HB3 MET A 3 3.336 8.557 0.943 1.00 45.23 H new ATOM 0 HG2 MET A 3 2.782 8.160 3.623 1.00 41.11 H new ATOM 0 HG3 MET A 3 4.484 7.753 3.539 1.00 41.11 H new ATOM 0 HE1 MET A 3 6.237 10.707 2.150 1.00 21.21 H new ATOM 0 HE2 MET A 3 5.781 9.066 1.633 1.00 21.21 H new ATOM 0 HE3 MET A 3 5.034 10.483 0.858 1.00 21.21 H new ATOM 51 N THR A 4 0.482 8.244 2.195 1.00 22.21 N ATOM 52 CA THR A 4 -0.733 9.024 2.001 1.00 53.12 C ATOM 53 C THR A 4 -0.719 10.286 2.856 1.00 51.13 C ATOM 54 O THR A 4 -0.994 10.239 4.055 1.00 54.03 O ATOM 55 CB THR A 4 -1.990 8.201 2.342 1.00 62.13 C ATOM 56 OG1 THR A 4 -1.650 6.815 2.459 1.00 74.30 O ATOM 57 CG2 THR A 4 -3.059 8.378 1.274 1.00 21.10 C ATOM 0 H THR A 4 0.861 8.283 3.141 1.00 22.21 H new ATOM 0 HA THR A 4 -0.764 9.302 0.948 1.00 53.12 H new ATOM 0 HB THR A 4 -2.386 8.559 3.292 1.00 62.13 H new ATOM 0 HG1 THR A 4 -1.437 6.608 3.393 1.00 74.30 H new ATOM 0 HG21 THR A 4 -3.937 7.788 1.536 1.00 21.10 H new ATOM 0 HG22 THR A 4 -3.336 9.430 1.207 1.00 21.10 H new ATOM 0 HG23 THR A 4 -2.671 8.043 0.312 1.00 21.10 H new ATOM 65 N VAL A 5 -0.397 11.415 2.231 1.00 31.44 N ATOM 66 CA VAL A 5 -0.349 12.691 2.935 1.00 21.42 C ATOM 67 C VAL A 5 -1.669 13.442 2.802 1.00 63.11 C ATOM 68 O VAL A 5 -2.286 13.448 1.737 1.00 53.11 O ATOM 69 CB VAL A 5 0.792 13.581 2.406 1.00 35.42 C ATOM 70 CG1 VAL A 5 0.844 14.893 3.173 1.00 41.32 C ATOM 71 CG2 VAL A 5 2.122 12.849 2.494 1.00 63.12 C ATOM 0 H VAL A 5 -0.166 11.471 1.239 1.00 31.44 H new ATOM 0 HA VAL A 5 -0.167 12.466 3.986 1.00 21.42 H new ATOM 0 HB VAL A 5 0.597 13.808 1.358 1.00 35.42 H new ATOM 0 HG11 VAL A 5 1.656 15.509 2.786 1.00 41.32 H new ATOM 0 HG12 VAL A 5 -0.102 15.422 3.054 1.00 41.32 H new ATOM 0 HG13 VAL A 5 1.015 14.690 4.230 1.00 41.32 H new ATOM 0 HG21 VAL A 5 2.917 13.492 2.116 1.00 63.12 H new ATOM 0 HG22 VAL A 5 2.327 12.591 3.533 1.00 63.12 H new ATOM 0 HG23 VAL A 5 2.077 11.939 1.896 1.00 63.12 H new ATOM 81 N ARG A 6 -2.095 14.075 3.890 1.00 74.02 N ATOM 82 CA ARG A 6 -3.343 14.829 3.895 1.00 41.42 C ATOM 83 C ARG A 6 -3.187 16.133 4.672 1.00 4.21 C ATOM 84 O ARG A 6 -2.527 16.174 5.711 1.00 70.22 O ATOM 85 CB ARG A 6 -4.468 13.991 4.505 1.00 50.43 C ATOM 86 CG ARG A 6 -4.294 13.727 5.991 1.00 5.13 C ATOM 87 CD ARG A 6 -5.559 13.151 6.607 1.00 60.21 C ATOM 88 NE ARG A 6 -6.654 14.117 6.612 1.00 31.03 N ATOM 89 CZ ARG A 6 -7.765 13.964 7.324 1.00 54.32 C ATOM 90 NH1 ARG A 6 -7.928 12.890 8.084 1.00 64.02 N ATOM 91 NH2 ARG A 6 -8.717 14.888 7.276 1.00 31.34 N ATOM 0 H ARG A 6 -1.595 14.081 4.779 1.00 74.02 H new ATOM 0 HA ARG A 6 -3.597 15.069 2.863 1.00 41.42 H new ATOM 0 HB2 ARG A 6 -5.418 14.501 4.344 1.00 50.43 H new ATOM 0 HB3 ARG A 6 -4.525 13.038 3.980 1.00 50.43 H new ATOM 0 HG2 ARG A 6 -3.466 13.035 6.144 1.00 5.13 H new ATOM 0 HG3 ARG A 6 -4.031 14.655 6.498 1.00 5.13 H new ATOM 0 HD2 ARG A 6 -5.861 12.263 6.051 1.00 60.21 H new ATOM 0 HD3 ARG A 6 -5.352 12.832 7.629 1.00 60.21 H new ATOM 0 HE ARG A 6 -6.561 14.955 6.038 1.00 31.03 H new ATOM 0 HH11 ARG A 6 -7.199 12.178 8.123 1.00 64.02 H new ATOM 0 HH12 ARG A 6 -8.782 12.776 8.629 1.00 64.02 H new ATOM 0 HH21 ARG A 6 -8.595 15.716 6.692 1.00 31.34 H new ATOM 0 HH22 ARG A 6 -9.570 14.770 7.823 1.00 31.34 H new ATOM 105 N VAL A 7 -3.798 17.198 4.161 1.00 25.44 N ATOM 106 CA VAL A 7 -3.727 18.503 4.807 1.00 20.23 C ATOM 107 C VAL A 7 -5.046 18.851 5.487 1.00 12.52 C ATOM 108 O VAL A 7 -6.121 18.510 4.992 1.00 64.40 O ATOM 109 CB VAL A 7 -3.374 19.611 3.797 1.00 31.41 C ATOM 110 CG1 VAL A 7 -3.228 20.950 4.503 1.00 43.12 C ATOM 111 CG2 VAL A 7 -2.103 19.256 3.040 1.00 32.32 C ATOM 0 H VAL A 7 -4.347 17.182 3.302 1.00 25.44 H new ATOM 0 HA VAL A 7 -2.939 18.443 5.558 1.00 20.23 H new ATOM 0 HB VAL A 7 -4.187 19.695 3.076 1.00 31.41 H new ATOM 0 HG11 VAL A 7 -2.979 21.721 3.774 1.00 43.12 H new ATOM 0 HG12 VAL A 7 -4.166 21.206 4.995 1.00 43.12 H new ATOM 0 HG13 VAL A 7 -2.434 20.884 5.247 1.00 43.12 H new ATOM 0 HG21 VAL A 7 -1.868 20.050 2.331 1.00 32.32 H new ATOM 0 HG22 VAL A 7 -1.279 19.144 3.745 1.00 32.32 H new ATOM 0 HG23 VAL A 7 -2.250 18.320 2.501 1.00 32.32 H new ATOM 121 N ILE A 8 -4.957 19.534 6.624 1.00 54.03 N ATOM 122 CA ILE A 8 -6.145 19.931 7.371 1.00 65.42 C ATOM 123 C ILE A 8 -5.965 21.309 7.997 1.00 3.14 C ATOM 124 O ILE A 8 -4.863 21.679 8.403 1.00 72.21 O ATOM 125 CB ILE A 8 -6.478 18.915 8.479 1.00 25.43 C ATOM 126 CG1 ILE A 8 -6.630 17.512 7.887 1.00 42.10 C ATOM 127 CG2 ILE A 8 -7.746 19.327 9.212 1.00 64.31 C ATOM 128 CD1 ILE A 8 -5.327 16.748 7.800 1.00 52.21 C ATOM 0 H ILE A 8 -4.076 19.824 7.048 1.00 54.03 H new ATOM 0 HA ILE A 8 -6.970 19.963 6.659 1.00 65.42 H new ATOM 0 HB ILE A 8 -5.657 18.899 9.195 1.00 25.43 H new ATOM 0 HG12 ILE A 8 -7.335 16.944 8.495 1.00 42.10 H new ATOM 0 HG13 ILE A 8 -7.062 17.592 6.889 1.00 42.10 H new ATOM 0 HG21 ILE A 8 -7.968 18.599 9.992 1.00 64.31 H new ATOM 0 HG22 ILE A 8 -7.603 20.309 9.662 1.00 64.31 H new ATOM 0 HG23 ILE A 8 -8.576 19.368 8.507 1.00 64.31 H new ATOM 0 HD11 ILE A 8 -5.511 15.763 7.371 1.00 52.21 H new ATOM 0 HD12 ILE A 8 -4.627 17.294 7.168 1.00 52.21 H new ATOM 0 HD13 ILE A 8 -4.904 16.636 8.798 1.00 52.21 H new ATOM 140 N ALA A 9 -7.055 22.065 8.075 1.00 72.33 N ATOM 141 CA ALA A 9 -7.019 23.401 8.656 1.00 50.13 C ATOM 142 C ALA A 9 -7.957 23.505 9.853 1.00 31.44 C ATOM 143 O ALA A 9 -8.876 22.703 10.024 1.00 25.43 O ATOM 144 CB ALA A 9 -7.382 24.442 7.607 1.00 4.43 C ATOM 0 H ALA A 9 -7.975 21.775 7.743 1.00 72.33 H new ATOM 0 HA ALA A 9 -6.004 23.591 9.006 1.00 50.13 H new ATOM 0 HB1 ALA A 9 -7.351 25.435 8.054 1.00 4.43 H new ATOM 0 HB2 ALA A 9 -6.669 24.393 6.784 1.00 4.43 H new ATOM 0 HB3 ALA A 9 -8.386 24.245 7.231 1.00 4.43 H new ATOM 150 N PRO A 10 -7.723 24.515 10.704 1.00 24.32 N ATOM 151 CA PRO A 10 -8.536 24.747 11.901 1.00 34.53 C ATOM 152 C PRO A 10 -9.942 25.229 11.562 1.00 54.22 C ATOM 153 O PRO A 10 -10.801 25.335 12.438 1.00 41.41 O ATOM 154 CB PRO A 10 -7.764 25.835 12.650 1.00 5.12 C ATOM 155 CG PRO A 10 -6.992 26.547 11.593 1.00 12.33 C ATOM 156 CD PRO A 10 -6.645 25.509 10.563 1.00 73.42 C ATOM 0 HA PRO A 10 -8.680 23.834 12.479 1.00 34.53 H new ATOM 0 HB2 PRO A 10 -8.440 26.513 13.171 1.00 5.12 H new ATOM 0 HB3 PRO A 10 -7.102 25.405 13.402 1.00 5.12 H new ATOM 0 HG2 PRO A 10 -7.582 27.351 11.153 1.00 12.33 H new ATOM 0 HG3 PRO A 10 -6.092 27.002 12.007 1.00 12.33 H new ATOM 0 HD2 PRO A 10 -6.618 25.933 9.559 1.00 73.42 H new ATOM 0 HD3 PRO A 10 -5.666 25.069 10.750 1.00 73.42 H new ATOM 164 N ASP A 11 -10.171 25.520 10.286 1.00 71.21 N ATOM 165 CA ASP A 11 -11.474 25.990 9.831 1.00 73.05 C ATOM 166 C ASP A 11 -12.215 24.891 9.075 1.00 21.10 C ATOM 167 O ASP A 11 -13.438 24.932 8.939 1.00 62.25 O ATOM 168 CB ASP A 11 -11.312 27.220 8.937 1.00 55.53 C ATOM 169 CG ASP A 11 -12.577 27.546 8.166 1.00 45.33 C ATOM 170 OD1 ASP A 11 -12.811 26.912 7.115 1.00 14.44 O ATOM 171 OD2 ASP A 11 -13.331 28.435 8.613 1.00 35.51 O ATOM 0 H ASP A 11 -9.471 25.439 9.549 1.00 71.21 H new ATOM 0 HA ASP A 11 -12.061 26.262 10.708 1.00 73.05 H new ATOM 0 HB2 ASP A 11 -11.033 28.077 9.550 1.00 55.53 H new ATOM 0 HB3 ASP A 11 -10.496 27.050 8.235 1.00 55.53 H new ATOM 176 N LYS A 12 -11.466 23.909 8.585 1.00 42.25 N ATOM 177 CA LYS A 12 -12.050 22.798 7.843 1.00 43.25 C ATOM 178 C LYS A 12 -10.966 21.849 7.342 1.00 21.54 C ATOM 179 O LYS A 12 -9.802 21.960 7.728 1.00 65.30 O ATOM 180 CB LYS A 12 -12.869 23.322 6.661 1.00 61.23 C ATOM 181 CG LYS A 12 -14.303 22.820 6.645 1.00 44.52 C ATOM 182 CD LYS A 12 -15.272 23.917 6.236 1.00 71.30 C ATOM 183 CE LYS A 12 -16.674 23.368 6.017 1.00 2.14 C ATOM 184 NZ LYS A 12 -17.649 23.934 6.990 1.00 21.03 N ATOM 0 H LYS A 12 -10.452 23.860 8.689 1.00 42.25 H new ATOM 0 HA LYS A 12 -12.707 22.248 8.518 1.00 43.25 H new ATOM 0 HB2 LYS A 12 -12.875 24.412 6.688 1.00 61.23 H new ATOM 0 HB3 LYS A 12 -12.380 23.029 5.732 1.00 61.23 H new ATOM 0 HG2 LYS A 12 -14.388 21.981 5.954 1.00 44.52 H new ATOM 0 HG3 LYS A 12 -14.570 22.447 7.634 1.00 44.52 H new ATOM 0 HD2 LYS A 12 -15.298 24.687 7.007 1.00 71.30 H new ATOM 0 HD3 LYS A 12 -14.919 24.393 5.321 1.00 71.30 H new ATOM 0 HE2 LYS A 12 -16.999 23.597 5.002 1.00 2.14 H new ATOM 0 HE3 LYS A 12 -16.657 22.282 6.109 1.00 2.14 H new ATOM 0 HZ1 LYS A 12 -18.592 23.535 6.808 1.00 21.03 H new ATOM 0 HZ2 LYS A 12 -17.353 23.694 7.958 1.00 21.03 H new ATOM 0 HZ3 LYS A 12 -17.684 24.968 6.885 1.00 21.03 H new ATOM 198 N THR A 13 -11.355 20.915 6.480 1.00 34.40 N ATOM 199 CA THR A 13 -10.417 19.946 5.927 1.00 53.11 C ATOM 200 C THR A 13 -10.002 20.330 4.511 1.00 21.42 C ATOM 201 O THR A 13 -10.800 20.866 3.743 1.00 12.40 O ATOM 202 CB THR A 13 -11.020 18.529 5.907 1.00 62.43 C ATOM 203 OG1 THR A 13 -12.448 18.604 5.846 1.00 55.51 O ATOM 204 CG2 THR A 13 -10.601 17.745 7.141 1.00 24.21 C ATOM 0 H THR A 13 -12.314 20.809 6.149 1.00 34.40 H new ATOM 0 HA THR A 13 -9.540 19.950 6.574 1.00 53.11 H new ATOM 0 HB THR A 13 -10.646 18.012 5.023 1.00 62.43 H new ATOM 0 HG1 THR A 13 -12.823 17.699 5.832 1.00 55.51 H new ATOM 0 HG21 THR A 13 -11.039 16.748 7.104 1.00 24.21 H new ATOM 0 HG22 THR A 13 -9.514 17.663 7.169 1.00 24.21 H new ATOM 0 HG23 THR A 13 -10.949 18.261 8.036 1.00 24.21 H new ATOM 212 N VAL A 14 -8.747 20.050 4.171 1.00 15.33 N ATOM 213 CA VAL A 14 -8.226 20.365 2.846 1.00 34.53 C ATOM 214 C VAL A 14 -8.412 19.192 1.890 1.00 33.33 C ATOM 215 O VAL A 14 -9.217 19.257 0.961 1.00 43.12 O ATOM 216 CB VAL A 14 -6.732 20.734 2.904 1.00 72.20 C ATOM 217 CG1 VAL A 14 -6.260 21.261 1.558 1.00 61.04 C ATOM 218 CG2 VAL A 14 -6.478 21.753 4.004 1.00 42.30 C ATOM 0 H VAL A 14 -8.073 19.606 4.795 1.00 15.33 H new ATOM 0 HA VAL A 14 -8.790 21.222 2.479 1.00 34.53 H new ATOM 0 HB VAL A 14 -6.162 19.834 3.135 1.00 72.20 H new ATOM 0 HG11 VAL A 14 -5.202 21.517 1.618 1.00 61.04 H new ATOM 0 HG12 VAL A 14 -6.406 20.495 0.796 1.00 61.04 H new ATOM 0 HG13 VAL A 14 -6.833 22.149 1.294 1.00 61.04 H new ATOM 0 HG21 VAL A 14 -5.417 22.002 4.031 1.00 42.30 H new ATOM 0 HG22 VAL A 14 -7.058 22.654 3.806 1.00 42.30 H new ATOM 0 HG23 VAL A 14 -6.777 21.333 4.965 1.00 42.30 H new ATOM 228 N TRP A 15 -7.664 18.120 2.125 1.00 1.13 N ATOM 229 CA TRP A 15 -7.747 16.931 1.285 1.00 44.14 C ATOM 230 C TRP A 15 -6.787 15.852 1.772 1.00 23.45 C ATOM 231 O TRP A 15 -6.107 16.024 2.785 1.00 74.43 O ATOM 232 CB TRP A 15 -7.436 17.287 -0.170 1.00 52.32 C ATOM 233 CG TRP A 15 -8.372 16.648 -1.151 1.00 11.11 C ATOM 234 CD1 TRP A 15 -9.737 16.675 -1.118 1.00 71.32 C ATOM 235 CD2 TRP A 15 -8.011 15.886 -2.308 1.00 53.00 C ATOM 236 NE1 TRP A 15 -10.247 15.975 -2.185 1.00 63.03 N ATOM 237 CE2 TRP A 15 -9.209 15.482 -2.931 1.00 4.13 C ATOM 238 CE3 TRP A 15 -6.794 15.507 -2.880 1.00 1.31 C ATOM 239 CZ2 TRP A 15 -9.221 14.718 -4.095 1.00 1.14 C ATOM 240 CZ3 TRP A 15 -6.808 14.749 -4.035 1.00 22.21 C ATOM 241 CH2 TRP A 15 -8.014 14.361 -4.633 1.00 14.42 C ATOM 0 H TRP A 15 -6.993 18.050 2.890 1.00 1.13 H new ATOM 0 HA TRP A 15 -8.763 16.543 1.348 1.00 44.14 H new ATOM 0 HB2 TRP A 15 -7.480 18.370 -0.289 1.00 52.32 H new ATOM 0 HB3 TRP A 15 -6.415 16.982 -0.401 1.00 52.32 H new ATOM 0 HD1 TRP A 15 -10.329 17.173 -0.364 1.00 71.32 H new ATOM 0 HE1 TRP A 15 -11.238 15.844 -2.389 1.00 63.03 H new ATOM 0 HE3 TRP A 15 -5.859 15.801 -2.427 1.00 1.31 H new ATOM 0 HZ2 TRP A 15 -10.150 14.418 -4.557 1.00 1.14 H new ATOM 0 HZ3 TRP A 15 -5.873 14.450 -4.485 1.00 22.21 H new ATOM 0 HH2 TRP A 15 -7.991 13.769 -5.536 1.00 14.42 H new ATOM 252 N ASP A 16 -6.735 14.740 1.047 1.00 34.11 N ATOM 253 CA ASP A 16 -5.857 13.633 1.406 1.00 61.40 C ATOM 254 C ASP A 16 -5.463 12.829 0.171 1.00 45.45 C ATOM 255 O ASP A 16 -6.188 11.932 -0.256 1.00 32.42 O ATOM 256 CB ASP A 16 -6.541 12.721 2.426 1.00 71.45 C ATOM 257 CG ASP A 16 -7.893 12.229 1.947 1.00 11.11 C ATOM 258 OD1 ASP A 16 -8.843 13.039 1.919 1.00 53.23 O ATOM 259 OD2 ASP A 16 -8.001 11.034 1.600 1.00 3.52 O ATOM 0 H ASP A 16 -7.291 14.581 0.207 1.00 34.11 H new ATOM 0 HA ASP A 16 -4.953 14.049 1.851 1.00 61.40 H new ATOM 0 HB2 ASP A 16 -5.898 11.865 2.632 1.00 71.45 H new ATOM 0 HB3 ASP A 16 -6.666 13.260 3.365 1.00 71.45 H new ATOM 264 N ALA A 17 -4.309 13.160 -0.400 1.00 63.33 N ATOM 265 CA ALA A 17 -3.818 12.469 -1.586 1.00 64.30 C ATOM 266 C ALA A 17 -2.646 11.555 -1.243 1.00 42.01 C ATOM 267 O ALA A 17 -1.972 11.725 -0.227 1.00 23.10 O ATOM 268 CB ALA A 17 -3.410 13.475 -2.652 1.00 75.44 C ATOM 0 H ALA A 17 -3.697 13.902 -0.060 1.00 63.33 H new ATOM 0 HA ALA A 17 -4.626 11.850 -1.976 1.00 64.30 H new ATOM 0 HB1 ALA A 17 -3.045 12.945 -3.532 1.00 75.44 H new ATOM 0 HB2 ALA A 17 -4.271 14.084 -2.926 1.00 75.44 H new ATOM 0 HB3 ALA A 17 -2.621 14.118 -2.263 1.00 75.44 H new ATOM 274 N PRO A 18 -2.396 10.561 -2.109 1.00 11.52 N ATOM 275 CA PRO A 18 -1.305 9.601 -1.918 1.00 51.02 C ATOM 276 C PRO A 18 0.068 10.239 -2.103 1.00 34.21 C ATOM 277 O PRO A 18 0.175 11.408 -2.472 1.00 34.04 O ATOM 278 CB PRO A 18 -1.559 8.555 -3.006 1.00 74.14 C ATOM 279 CG PRO A 18 -2.318 9.283 -4.062 1.00 21.21 C ATOM 280 CD PRO A 18 -3.159 10.300 -3.341 1.00 30.53 C ATOM 0 HA PRO A 18 -1.294 9.192 -0.908 1.00 51.02 H new ATOM 0 HB2 PRO A 18 -0.623 8.154 -3.396 1.00 74.14 H new ATOM 0 HB3 PRO A 18 -2.130 7.711 -2.618 1.00 74.14 H new ATOM 0 HG2 PRO A 18 -1.641 9.766 -4.767 1.00 21.21 H new ATOM 0 HG3 PRO A 18 -2.941 8.598 -4.637 1.00 21.21 H new ATOM 0 HD2 PRO A 18 -3.289 11.206 -3.933 1.00 30.53 H new ATOM 0 HD3 PRO A 18 -4.155 9.916 -3.123 1.00 30.53 H new ATOM 288 N ALA A 19 1.115 9.463 -1.845 1.00 21.33 N ATOM 289 CA ALA A 19 2.481 9.952 -1.985 1.00 61.40 C ATOM 290 C ALA A 19 3.492 8.840 -1.724 1.00 34.13 C ATOM 291 O ALA A 19 3.137 7.772 -1.226 1.00 24.11 O ATOM 292 CB ALA A 19 2.723 11.120 -1.041 1.00 41.10 C ATOM 0 H ALA A 19 1.044 8.493 -1.538 1.00 21.33 H new ATOM 0 HA ALA A 19 2.614 10.295 -3.011 1.00 61.40 H new ATOM 0 HB1 ALA A 19 3.747 11.475 -1.156 1.00 41.10 H new ATOM 0 HB2 ALA A 19 2.030 11.928 -1.277 1.00 41.10 H new ATOM 0 HB3 ALA A 19 2.565 10.795 -0.013 1.00 41.10 H new ATOM 298 N GLU A 20 4.750 9.099 -2.064 1.00 25.24 N ATOM 299 CA GLU A 20 5.811 8.118 -1.867 1.00 24.05 C ATOM 300 C GLU A 20 6.904 8.674 -0.958 1.00 63.21 C ATOM 301 O GLU A 20 7.523 7.936 -0.192 1.00 31.01 O ATOM 302 CB GLU A 20 6.412 7.706 -3.212 1.00 40.12 C ATOM 303 CG GLU A 20 7.377 6.537 -3.115 1.00 62.44 C ATOM 304 CD GLU A 20 6.680 5.194 -3.226 1.00 44.41 C ATOM 305 OE1 GLU A 20 6.518 4.701 -4.362 1.00 1.33 O ATOM 306 OE2 GLU A 20 6.298 4.637 -2.176 1.00 14.10 O ATOM 0 H GLU A 20 5.060 9.979 -2.477 1.00 25.24 H new ATOM 0 HA GLU A 20 5.375 7.241 -1.388 1.00 24.05 H new ATOM 0 HB2 GLU A 20 5.605 7.444 -3.896 1.00 40.12 H new ATOM 0 HB3 GLU A 20 6.932 8.560 -3.645 1.00 40.12 H new ATOM 0 HG2 GLU A 20 8.124 6.621 -3.904 1.00 62.44 H new ATOM 0 HG3 GLU A 20 7.910 6.588 -2.165 1.00 62.44 H new ATOM 313 N GLU A 21 7.136 9.980 -1.051 1.00 74.40 N ATOM 314 CA GLU A 21 8.155 10.634 -0.239 1.00 34.13 C ATOM 315 C GLU A 21 7.840 12.117 -0.062 1.00 21.32 C ATOM 316 O GLU A 21 7.535 12.818 -1.027 1.00 30.52 O ATOM 317 CB GLU A 21 9.534 10.467 -0.879 1.00 61.24 C ATOM 318 CG GLU A 21 10.622 10.083 0.109 1.00 31.14 C ATOM 319 CD GLU A 21 11.892 9.613 -0.573 1.00 74.05 C ATOM 320 OE1 GLU A 21 11.789 8.958 -1.631 1.00 64.44 O ATOM 321 OE2 GLU A 21 12.988 9.901 -0.049 1.00 40.33 O ATOM 0 H GLU A 21 6.632 10.605 -1.680 1.00 74.40 H new ATOM 0 HA GLU A 21 8.159 10.161 0.743 1.00 34.13 H new ATOM 0 HB2 GLU A 21 9.475 9.704 -1.655 1.00 61.24 H new ATOM 0 HB3 GLU A 21 9.813 11.400 -1.369 1.00 61.24 H new ATOM 0 HG2 GLU A 21 10.851 10.940 0.743 1.00 31.14 H new ATOM 0 HG3 GLU A 21 10.252 9.293 0.762 1.00 31.14 H new ATOM 328 N VAL A 22 7.916 12.588 1.179 1.00 63.22 N ATOM 329 CA VAL A 22 7.641 13.987 1.484 1.00 74.34 C ATOM 330 C VAL A 22 8.886 14.690 2.013 1.00 72.44 C ATOM 331 O VAL A 22 9.443 14.298 3.038 1.00 1.14 O ATOM 332 CB VAL A 22 6.509 14.123 2.519 1.00 34.01 C ATOM 333 CG1 VAL A 22 6.254 15.587 2.843 1.00 43.31 C ATOM 334 CG2 VAL A 22 5.240 13.452 2.013 1.00 45.41 C ATOM 0 H VAL A 22 8.166 12.021 1.989 1.00 63.22 H new ATOM 0 HA VAL A 22 7.330 14.459 0.552 1.00 74.34 H new ATOM 0 HB VAL A 22 6.817 13.621 3.436 1.00 34.01 H new ATOM 0 HG11 VAL A 22 5.451 15.663 3.576 1.00 43.31 H new ATOM 0 HG12 VAL A 22 7.161 16.033 3.251 1.00 43.31 H new ATOM 0 HG13 VAL A 22 5.967 16.116 1.934 1.00 43.31 H new ATOM 0 HG21 VAL A 22 4.451 13.558 2.757 1.00 45.41 H new ATOM 0 HG22 VAL A 22 4.926 13.923 1.082 1.00 45.41 H new ATOM 0 HG23 VAL A 22 5.433 12.394 1.837 1.00 45.41 H new ATOM 344 N ILE A 23 9.316 15.729 1.306 1.00 5.33 N ATOM 345 CA ILE A 23 10.495 16.488 1.706 1.00 41.11 C ATOM 346 C ILE A 23 10.165 17.967 1.876 1.00 1.13 C ATOM 347 O ILE A 23 9.613 18.599 0.975 1.00 53.21 O ATOM 348 CB ILE A 23 11.633 16.343 0.678 1.00 22.35 C ATOM 349 CG1 ILE A 23 12.019 14.871 0.517 1.00 73.13 C ATOM 350 CG2 ILE A 23 12.839 17.168 1.103 1.00 33.01 C ATOM 351 CD1 ILE A 23 11.803 14.340 -0.883 1.00 44.24 C ATOM 0 H ILE A 23 8.867 16.065 0.454 1.00 5.33 H new ATOM 0 HA ILE A 23 10.824 16.079 2.661 1.00 41.11 H new ATOM 0 HB ILE A 23 11.283 16.716 -0.285 1.00 22.35 H new ATOM 0 HG12 ILE A 23 13.068 14.747 0.786 1.00 73.13 H new ATOM 0 HG13 ILE A 23 11.437 14.272 1.218 1.00 73.13 H new ATOM 0 HG21 ILE A 23 13.635 17.055 0.367 1.00 33.01 H new ATOM 0 HG22 ILE A 23 12.555 18.218 1.173 1.00 33.01 H new ATOM 0 HG23 ILE A 23 13.192 16.822 2.075 1.00 33.01 H new ATOM 0 HD11 ILE A 23 12.098 13.291 -0.924 1.00 44.24 H new ATOM 0 HD12 ILE A 23 10.750 14.432 -1.148 1.00 44.24 H new ATOM 0 HD13 ILE A 23 12.406 14.914 -1.587 1.00 44.24 H new ATOM 363 N LEU A 24 10.509 18.514 3.037 1.00 15.11 N ATOM 364 CA LEU A 24 10.251 19.921 3.326 1.00 32.41 C ATOM 365 C LEU A 24 11.107 20.402 4.493 1.00 15.42 C ATOM 366 O LEU A 24 11.625 19.612 5.282 1.00 0.45 O ATOM 367 CB LEU A 24 8.769 20.133 3.643 1.00 5.30 C ATOM 368 CG LEU A 24 8.043 18.950 4.283 1.00 23.41 C ATOM 369 CD1 LEU A 24 8.767 18.497 5.542 1.00 72.11 C ATOM 370 CD2 LEU A 24 6.600 19.316 4.598 1.00 43.12 C ATOM 0 H LEU A 24 10.967 18.005 3.793 1.00 15.11 H new ATOM 0 HA LEU A 24 10.514 20.503 2.443 1.00 32.41 H new ATOM 0 HB2 LEU A 24 8.680 20.991 4.309 1.00 5.30 H new ATOM 0 HB3 LEU A 24 8.254 20.392 2.718 1.00 5.30 H new ATOM 0 HG LEU A 24 8.040 18.123 3.573 1.00 23.41 H new ATOM 0 HD11 LEU A 24 8.236 17.654 5.984 1.00 72.11 H new ATOM 0 HD12 LEU A 24 9.783 18.193 5.288 1.00 72.11 H new ATOM 0 HD13 LEU A 24 8.802 19.319 6.257 1.00 72.11 H new ATOM 0 HD21 LEU A 24 6.099 18.462 5.053 1.00 43.12 H new ATOM 0 HD22 LEU A 24 6.581 20.158 5.289 1.00 43.12 H new ATOM 0 HD23 LEU A 24 6.085 19.591 3.677 1.00 43.12 H new ATOM 382 N PRO A 25 11.257 21.730 4.608 1.00 3.22 N ATOM 383 CA PRO A 25 12.047 22.348 5.678 1.00 61.52 C ATOM 384 C PRO A 25 11.384 22.206 7.044 1.00 62.13 C ATOM 385 O PRO A 25 10.227 22.586 7.225 1.00 24.51 O ATOM 386 CB PRO A 25 12.113 23.820 5.265 1.00 12.24 C ATOM 387 CG PRO A 25 10.904 24.031 4.421 1.00 51.41 C ATOM 388 CD PRO A 25 10.668 22.731 3.703 1.00 13.24 C ATOM 0 HA PRO A 25 13.024 21.878 5.787 1.00 61.52 H new ATOM 0 HB2 PRO A 25 12.108 24.476 6.135 1.00 12.24 H new ATOM 0 HB3 PRO A 25 13.026 24.035 4.710 1.00 12.24 H new ATOM 0 HG2 PRO A 25 10.043 24.301 5.033 1.00 51.41 H new ATOM 0 HG3 PRO A 25 11.060 24.845 3.713 1.00 51.41 H new ATOM 0 HD2 PRO A 25 9.606 22.549 3.540 1.00 13.24 H new ATOM 0 HD3 PRO A 25 11.148 22.720 2.724 1.00 13.24 H new ATOM 396 N SER A 26 12.125 21.658 8.002 1.00 74.43 N ATOM 397 CA SER A 26 11.607 21.463 9.351 1.00 71.10 C ATOM 398 C SER A 26 12.512 22.131 10.382 1.00 70.32 C ATOM 399 O SER A 26 13.432 22.870 10.032 1.00 43.42 O ATOM 400 CB SER A 26 11.478 19.970 9.660 1.00 53.11 C ATOM 401 OG SER A 26 12.750 19.350 9.721 1.00 24.02 O ATOM 0 H SER A 26 13.085 21.341 7.869 1.00 74.43 H new ATOM 0 HA SER A 26 10.621 21.924 9.405 1.00 71.10 H new ATOM 0 HB2 SER A 26 10.959 19.835 10.609 1.00 53.11 H new ATOM 0 HB3 SER A 26 10.871 19.488 8.893 1.00 53.11 H new ATOM 0 HG SER A 26 12.687 18.525 10.246 1.00 24.02 H new ATOM 407 N THR A 27 12.244 21.864 11.656 1.00 12.54 N ATOM 408 CA THR A 27 13.032 22.439 12.739 1.00 14.44 C ATOM 409 C THR A 27 14.524 22.253 12.493 1.00 63.44 C ATOM 410 O THR A 27 15.278 23.223 12.414 1.00 51.51 O ATOM 411 CB THR A 27 12.665 21.810 14.097 1.00 74.05 C ATOM 412 OG1 THR A 27 11.275 22.018 14.373 1.00 21.22 O ATOM 413 CG2 THR A 27 13.505 22.408 15.215 1.00 35.21 C ATOM 0 H THR A 27 11.487 21.253 11.963 1.00 12.54 H new ATOM 0 HA THR A 27 12.801 23.504 12.766 1.00 14.44 H new ATOM 0 HB THR A 27 12.868 20.740 14.044 1.00 74.05 H new ATOM 0 HG1 THR A 27 11.049 21.614 15.237 1.00 21.22 H new ATOM 0 HG21 THR A 27 13.228 21.949 16.164 1.00 35.21 H new ATOM 0 HG22 THR A 27 14.561 22.222 15.016 1.00 35.21 H new ATOM 0 HG23 THR A 27 13.329 23.482 15.267 1.00 35.21 H new ATOM 421 N THR A 28 14.947 20.998 12.370 1.00 11.02 N ATOM 422 CA THR A 28 16.350 20.684 12.133 1.00 61.04 C ATOM 423 C THR A 28 16.808 21.204 10.775 1.00 54.32 C ATOM 424 O THR A 28 18.004 21.282 10.500 1.00 3.11 O ATOM 425 CB THR A 28 16.605 19.166 12.201 1.00 44.52 C ATOM 426 OG1 THR A 28 15.720 18.480 11.309 1.00 13.14 O ATOM 427 CG2 THR A 28 16.410 18.648 13.617 1.00 35.15 C ATOM 0 H THR A 28 14.337 20.183 12.431 1.00 11.02 H new ATOM 0 HA THR A 28 16.921 21.177 12.919 1.00 61.04 H new ATOM 0 HB THR A 28 17.636 18.979 11.902 1.00 44.52 H new ATOM 0 HG1 THR A 28 15.890 17.516 11.357 1.00 13.14 H new ATOM 0 HG21 THR A 28 16.595 17.574 13.640 1.00 35.15 H new ATOM 0 HG22 THR A 28 17.107 19.151 14.288 1.00 35.15 H new ATOM 0 HG23 THR A 28 15.388 18.847 13.940 1.00 35.15 H new ATOM 435 N GLY A 29 15.846 21.560 9.928 1.00 44.41 N ATOM 436 CA GLY A 29 16.172 22.070 8.608 1.00 35.34 C ATOM 437 C GLY A 29 15.702 21.149 7.500 1.00 65.33 C ATOM 438 O GLY A 29 15.132 21.602 6.508 1.00 41.20 O ATOM 0 H GLY A 29 14.848 21.504 10.132 1.00 44.41 H new ATOM 0 HA2 GLY A 29 15.717 23.052 8.478 1.00 35.34 H new ATOM 0 HA3 GLY A 29 17.251 22.206 8.530 1.00 35.34 H new ATOM 442 N GLN A 30 15.945 19.853 7.667 1.00 34.40 N ATOM 443 CA GLN A 30 15.545 18.866 6.670 1.00 14.33 C ATOM 444 C GLN A 30 14.596 17.836 7.274 1.00 11.11 C ATOM 445 O GLN A 30 14.825 17.336 8.376 1.00 3.12 O ATOM 446 CB GLN A 30 16.776 18.166 6.092 1.00 13.31 C ATOM 447 CG GLN A 30 17.504 18.987 5.040 1.00 3.13 C ATOM 448 CD GLN A 30 19.007 18.991 5.240 1.00 20.55 C ATOM 449 OE1 GLN A 30 19.701 18.057 4.836 1.00 51.44 O ATOM 450 NE2 GLN A 30 19.519 20.043 5.868 1.00 55.12 N ATOM 0 H GLN A 30 16.417 19.462 8.483 1.00 34.40 H new ATOM 0 HA GLN A 30 15.023 19.388 5.868 1.00 14.33 H new ATOM 0 HB2 GLN A 30 17.467 17.935 6.903 1.00 13.31 H new ATOM 0 HB3 GLN A 30 16.471 17.216 5.653 1.00 13.31 H new ATOM 0 HG2 GLN A 30 17.274 18.590 4.051 1.00 3.13 H new ATOM 0 HG3 GLN A 30 17.135 20.012 5.065 1.00 3.13 H new ATOM 0 HE21 GLN A 30 18.907 20.795 6.186 1.00 55.12 H new ATOM 0 HE22 GLN A 30 20.524 20.099 6.032 1.00 55.12 H new ATOM 459 N LEU A 31 13.530 17.523 6.546 1.00 32.11 N ATOM 460 CA LEU A 31 12.545 16.552 7.010 1.00 60.31 C ATOM 461 C LEU A 31 12.089 15.650 5.867 1.00 11.40 C ATOM 462 O LEU A 31 11.497 16.116 4.894 1.00 21.21 O ATOM 463 CB LEU A 31 11.340 17.270 7.620 1.00 21.55 C ATOM 464 CG LEU A 31 10.066 16.437 7.767 1.00 22.42 C ATOM 465 CD1 LEU A 31 10.362 15.132 8.492 1.00 54.54 C ATOM 466 CD2 LEU A 31 8.994 17.227 8.504 1.00 62.25 C ATOM 0 H LEU A 31 13.325 17.927 5.632 1.00 32.11 H new ATOM 0 HA LEU A 31 13.015 15.931 7.773 1.00 60.31 H new ATOM 0 HB2 LEU A 31 11.624 17.641 8.605 1.00 21.55 H new ATOM 0 HB3 LEU A 31 11.112 18.141 7.005 1.00 21.55 H new ATOM 0 HG LEU A 31 9.693 16.199 6.771 1.00 22.42 H new ATOM 0 HD11 LEU A 31 9.444 14.552 8.587 1.00 54.54 H new ATOM 0 HD12 LEU A 31 11.096 14.559 7.925 1.00 54.54 H new ATOM 0 HD13 LEU A 31 10.759 15.349 9.484 1.00 54.54 H new ATOM 0 HD21 LEU A 31 8.095 16.619 8.599 1.00 62.25 H new ATOM 0 HD22 LEU A 31 9.357 17.496 9.496 1.00 62.25 H new ATOM 0 HD23 LEU A 31 8.761 18.133 7.945 1.00 62.25 H new ATOM 478 N GLY A 32 12.367 14.356 5.993 1.00 1.24 N ATOM 479 CA GLY A 32 11.977 13.410 4.965 1.00 35.30 C ATOM 480 C GLY A 32 11.193 12.238 5.523 1.00 63.11 C ATOM 481 O GLY A 32 11.759 11.358 6.173 1.00 12.43 O ATOM 0 H GLY A 32 12.856 13.946 6.789 1.00 1.24 H new ATOM 0 HA2 GLY A 32 11.375 13.922 4.214 1.00 35.30 H new ATOM 0 HA3 GLY A 32 12.869 13.039 4.460 1.00 35.30 H new ATOM 485 N ILE A 33 9.889 12.226 5.270 1.00 11.11 N ATOM 486 CA ILE A 33 9.028 11.154 5.753 1.00 75.25 C ATOM 487 C ILE A 33 8.566 10.261 4.605 1.00 12.44 C ATOM 488 O ILE A 33 8.318 10.736 3.496 1.00 63.11 O ATOM 489 CB ILE A 33 7.792 11.710 6.484 1.00 0.35 C ATOM 490 CG1 ILE A 33 8.222 12.581 7.667 1.00 70.10 C ATOM 491 CG2 ILE A 33 6.898 10.573 6.955 1.00 71.33 C ATOM 492 CD1 ILE A 33 7.061 13.181 8.429 1.00 42.32 C ATOM 0 H ILE A 33 9.406 12.946 4.733 1.00 11.11 H new ATOM 0 HA ILE A 33 9.620 10.565 6.454 1.00 75.25 H new ATOM 0 HB ILE A 33 7.224 12.328 5.788 1.00 0.35 H new ATOM 0 HG12 ILE A 33 8.823 11.981 8.350 1.00 70.10 H new ATOM 0 HG13 ILE A 33 8.861 13.385 7.302 1.00 70.10 H new ATOM 0 HG21 ILE A 33 6.029 10.983 7.470 1.00 71.33 H new ATOM 0 HG22 ILE A 33 6.569 9.989 6.096 1.00 71.33 H new ATOM 0 HG23 ILE A 33 7.455 9.931 7.638 1.00 71.33 H new ATOM 0 HD11 ILE A 33 7.440 13.785 9.253 1.00 42.32 H new ATOM 0 HD12 ILE A 33 6.472 13.808 7.760 1.00 42.32 H new ATOM 0 HD13 ILE A 33 6.433 12.382 8.824 1.00 42.32 H new ATOM 504 N LEU A 34 8.450 8.967 4.880 1.00 31.11 N ATOM 505 CA LEU A 34 8.015 8.007 3.871 1.00 24.35 C ATOM 506 C LEU A 34 6.879 7.138 4.401 1.00 60.32 C ATOM 507 O LEU A 34 6.451 7.287 5.545 1.00 2.23 O ATOM 508 CB LEU A 34 9.188 7.125 3.440 1.00 64.14 C ATOM 509 CG LEU A 34 10.542 7.824 3.312 1.00 42.10 C ATOM 510 CD1 LEU A 34 11.305 7.753 4.625 1.00 5.34 C ATOM 511 CD2 LEU A 34 11.357 7.206 2.185 1.00 4.23 C ATOM 0 H LEU A 34 8.651 8.558 5.793 1.00 31.11 H new ATOM 0 HA LEU A 34 7.650 8.564 3.008 1.00 24.35 H new ATOM 0 HB2 LEU A 34 9.288 6.312 4.159 1.00 64.14 H new ATOM 0 HB3 LEU A 34 8.943 6.673 2.479 1.00 64.14 H new ATOM 0 HG LEU A 34 10.367 8.873 3.073 1.00 42.10 H new ATOM 0 HD11 LEU A 34 12.266 8.256 4.515 1.00 5.34 H new ATOM 0 HD12 LEU A 34 10.727 8.243 5.409 1.00 5.34 H new ATOM 0 HD13 LEU A 34 11.470 6.710 4.894 1.00 5.34 H new ATOM 0 HD21 LEU A 34 12.317 7.716 2.108 1.00 4.23 H new ATOM 0 HD22 LEU A 34 11.523 6.149 2.393 1.00 4.23 H new ATOM 0 HD23 LEU A 34 10.815 7.310 1.245 1.00 4.23 H new ATOM 523 N SER A 35 6.396 6.228 3.561 1.00 70.13 N ATOM 524 CA SER A 35 5.308 5.335 3.943 1.00 1.43 C ATOM 525 C SER A 35 5.760 4.363 5.029 1.00 75.02 C ATOM 526 O SER A 35 5.057 4.148 6.016 1.00 44.22 O ATOM 527 CB SER A 35 4.804 4.559 2.725 1.00 44.31 C ATOM 528 OG SER A 35 5.309 5.114 1.523 1.00 63.05 O ATOM 0 H SER A 35 6.741 6.090 2.611 1.00 70.13 H new ATOM 0 HA SER A 35 4.494 5.943 4.339 1.00 1.43 H new ATOM 0 HB2 SER A 35 5.108 3.515 2.803 1.00 44.31 H new ATOM 0 HB3 SER A 35 3.714 4.573 2.706 1.00 44.31 H new ATOM 0 HG SER A 35 6.198 4.744 1.340 1.00 63.05 H new ATOM 534 N ASN A 36 6.937 3.778 4.837 1.00 24.35 N ATOM 535 CA ASN A 36 7.484 2.827 5.799 1.00 13.12 C ATOM 536 C ASN A 36 7.728 3.497 7.148 1.00 50.42 C ATOM 537 O ASN A 36 7.880 2.826 8.169 1.00 71.32 O ATOM 538 CB ASN A 36 8.789 2.228 5.271 1.00 52.41 C ATOM 539 CG ASN A 36 8.682 0.736 5.024 1.00 72.03 C ATOM 540 OD1 ASN A 36 9.034 -0.073 5.882 1.00 65.54 O ATOM 541 ND2 ASN A 36 8.193 0.365 3.846 1.00 43.12 N ATOM 0 H ASN A 36 7.531 3.945 4.025 1.00 24.35 H new ATOM 0 HA ASN A 36 6.755 2.028 5.936 1.00 13.12 H new ATOM 0 HB2 ASN A 36 9.066 2.728 4.343 1.00 52.41 H new ATOM 0 HB3 ASN A 36 9.589 2.419 5.987 1.00 52.41 H new ATOM 0 HD21 ASN A 36 8.097 -0.626 3.623 1.00 43.12 H new ATOM 0 HD22 ASN A 36 7.914 1.071 3.165 1.00 43.12 H new ATOM 548 N HIS A 37 7.764 4.826 7.144 1.00 11.23 N ATOM 549 CA HIS A 37 7.988 5.588 8.368 1.00 44.35 C ATOM 550 C HIS A 37 7.060 5.113 9.481 1.00 2.35 C ATOM 551 O HIS A 37 6.028 4.496 9.221 1.00 11.24 O ATOM 552 CB HIS A 37 7.774 7.080 8.111 1.00 41.23 C ATOM 553 CG HIS A 37 8.475 7.964 9.096 1.00 41.33 C ATOM 554 ND1 HIS A 37 7.889 8.401 10.265 1.00 22.11 N ATOM 555 CD2 HIS A 37 9.721 8.492 9.081 1.00 4.11 C ATOM 556 CE1 HIS A 37 8.744 9.161 10.926 1.00 21.43 C ATOM 557 NE2 HIS A 37 9.864 9.232 10.229 1.00 31.55 N ATOM 0 H HIS A 37 7.641 5.397 6.308 1.00 11.23 H new ATOM 0 HA HIS A 37 9.018 5.426 8.685 1.00 44.35 H new ATOM 0 HB2 HIS A 37 8.123 7.321 7.107 1.00 41.23 H new ATOM 0 HB3 HIS A 37 6.706 7.295 8.138 1.00 41.23 H new ATOM 0 HD1 HIS A 37 6.943 8.173 10.572 1.00 22.11 H new ATOM 0 HD2 HIS A 37 10.465 8.357 8.310 1.00 4.11 H new ATOM 0 HE1 HIS A 37 8.559 9.642 11.875 1.00 21.43 H new ATOM 565 N ALA A 38 7.436 5.405 10.723 1.00 72.24 N ATOM 566 CA ALA A 38 6.637 5.009 11.875 1.00 33.24 C ATOM 567 C ALA A 38 5.733 6.148 12.334 1.00 11.05 C ATOM 568 O ALA A 38 5.912 7.306 11.956 1.00 70.33 O ATOM 569 CB ALA A 38 7.540 4.558 13.014 1.00 72.53 C ATOM 0 H ALA A 38 8.289 5.914 10.956 1.00 72.24 H new ATOM 0 HA ALA A 38 6.003 4.174 11.576 1.00 33.24 H new ATOM 0 HB1 ALA A 38 6.930 4.265 13.868 1.00 72.53 H new ATOM 0 HB2 ALA A 38 8.140 3.708 12.688 1.00 72.53 H new ATOM 0 HB3 ALA A 38 8.198 5.377 13.303 1.00 72.53 H new ATOM 575 N PRO A 39 4.737 5.815 13.170 1.00 45.05 N ATOM 576 CA PRO A 39 3.786 6.797 13.698 1.00 73.31 C ATOM 577 C PRO A 39 4.433 7.753 14.694 1.00 55.43 C ATOM 578 O PRO A 39 4.666 7.398 15.850 1.00 55.30 O ATOM 579 CB PRO A 39 2.733 5.931 14.395 1.00 61.13 C ATOM 580 CG PRO A 39 3.451 4.675 14.751 1.00 1.21 C ATOM 581 CD PRO A 39 4.465 4.455 13.663 1.00 72.54 C ATOM 0 HA PRO A 39 3.381 7.436 12.913 1.00 73.31 H new ATOM 0 HB2 PRO A 39 2.337 6.426 15.282 1.00 61.13 H new ATOM 0 HB3 PRO A 39 1.887 5.731 13.738 1.00 61.13 H new ATOM 0 HG2 PRO A 39 3.935 4.765 15.723 1.00 1.21 H new ATOM 0 HG3 PRO A 39 2.759 3.835 14.815 1.00 1.21 H new ATOM 0 HD2 PRO A 39 5.368 3.978 14.045 1.00 72.54 H new ATOM 0 HD3 PRO A 39 4.075 3.812 12.874 1.00 72.54 H new ATOM 589 N LEU A 40 4.720 8.968 14.239 1.00 62.12 N ATOM 590 CA LEU A 40 5.340 9.977 15.091 1.00 61.04 C ATOM 591 C LEU A 40 4.818 11.370 14.753 1.00 62.11 C ATOM 592 O LEU A 40 4.437 11.643 13.614 1.00 63.43 O ATOM 593 CB LEU A 40 6.861 9.939 14.936 1.00 65.41 C ATOM 594 CG LEU A 40 7.672 10.306 16.179 1.00 20.45 C ATOM 595 CD1 LEU A 40 8.877 9.388 16.321 1.00 12.42 C ATOM 596 CD2 LEU A 40 8.112 11.761 16.119 1.00 13.21 C ATOM 0 H LEU A 40 4.533 9.278 13.285 1.00 62.12 H new ATOM 0 HA LEU A 40 5.081 9.753 16.126 1.00 61.04 H new ATOM 0 HB2 LEU A 40 7.149 8.936 14.622 1.00 65.41 H new ATOM 0 HB3 LEU A 40 7.141 10.618 14.131 1.00 65.41 H new ATOM 0 HG LEU A 40 7.036 10.176 17.055 1.00 20.45 H new ATOM 0 HD11 LEU A 40 9.442 9.664 17.211 1.00 12.42 H new ATOM 0 HD12 LEU A 40 8.539 8.356 16.412 1.00 12.42 H new ATOM 0 HD13 LEU A 40 9.514 9.485 15.442 1.00 12.42 H new ATOM 0 HD21 LEU A 40 8.688 12.004 17.012 1.00 13.21 H new ATOM 0 HD22 LEU A 40 8.730 11.918 15.235 1.00 13.21 H new ATOM 0 HD23 LEU A 40 7.234 12.405 16.067 1.00 13.21 H new ATOM 608 N LEU A 41 4.805 12.249 15.749 1.00 23.41 N ATOM 609 CA LEU A 41 4.332 13.615 15.558 1.00 45.44 C ATOM 610 C LEU A 41 5.496 14.601 15.569 1.00 5.05 C ATOM 611 O LEU A 41 6.480 14.409 16.285 1.00 1.23 O ATOM 612 CB LEU A 41 3.325 13.985 16.648 1.00 63.10 C ATOM 613 CG LEU A 41 3.890 14.133 18.061 1.00 20.53 C ATOM 614 CD1 LEU A 41 3.122 15.192 18.835 1.00 14.51 C ATOM 615 CD2 LEU A 41 3.849 12.800 18.794 1.00 35.51 C ATOM 0 H LEU A 41 5.117 12.040 16.697 1.00 23.41 H new ATOM 0 HA LEU A 41 3.842 13.670 14.586 1.00 45.44 H new ATOM 0 HB2 LEU A 41 2.847 14.924 16.369 1.00 63.10 H new ATOM 0 HB3 LEU A 41 2.545 13.224 16.668 1.00 63.10 H new ATOM 0 HG LEU A 41 4.930 14.451 17.984 1.00 20.53 H new ATOM 0 HD11 LEU A 41 3.538 15.283 19.838 1.00 14.51 H new ATOM 0 HD12 LEU A 41 3.203 16.149 18.320 1.00 14.51 H new ATOM 0 HD13 LEU A 41 2.073 14.904 18.903 1.00 14.51 H new ATOM 0 HD21 LEU A 41 4.255 12.924 19.798 1.00 35.51 H new ATOM 0 HD22 LEU A 41 2.818 12.453 18.860 1.00 35.51 H new ATOM 0 HD23 LEU A 41 4.445 12.067 18.250 1.00 35.51 H new ATOM 627 N THR A 42 5.378 15.659 14.773 1.00 33.10 N ATOM 628 CA THR A 42 6.419 16.676 14.692 1.00 32.43 C ATOM 629 C THR A 42 5.823 18.053 14.427 1.00 14.21 C ATOM 630 O THR A 42 4.621 18.186 14.200 1.00 54.45 O ATOM 631 CB THR A 42 7.439 16.348 13.585 1.00 11.45 C ATOM 632 OG1 THR A 42 6.922 15.323 12.730 1.00 13.02 O ATOM 633 CG2 THR A 42 8.762 15.896 14.185 1.00 12.22 C ATOM 0 H THR A 42 4.571 15.834 14.175 1.00 33.10 H new ATOM 0 HA THR A 42 6.929 16.684 15.655 1.00 32.43 H new ATOM 0 HB THR A 42 7.613 17.253 13.002 1.00 11.45 H new ATOM 0 HG1 THR A 42 7.576 15.122 12.028 1.00 13.02 H new ATOM 0 HG21 THR A 42 9.466 15.670 13.384 1.00 12.22 H new ATOM 0 HG22 THR A 42 9.168 16.690 14.812 1.00 12.22 H new ATOM 0 HG23 THR A 42 8.601 15.003 14.790 1.00 12.22 H new ATOM 641 N ALA A 43 6.671 19.076 14.457 1.00 30.24 N ATOM 642 CA ALA A 43 6.228 20.443 14.217 1.00 13.54 C ATOM 643 C ALA A 43 6.883 21.022 12.968 1.00 72.43 C ATOM 644 O ALA A 43 8.026 20.695 12.646 1.00 42.11 O ATOM 645 CB ALA A 43 6.531 21.316 15.426 1.00 14.33 C ATOM 0 H ALA A 43 7.669 18.983 14.645 1.00 30.24 H new ATOM 0 HA ALA A 43 5.150 20.425 14.055 1.00 13.54 H new ATOM 0 HB1 ALA A 43 6.195 22.335 15.233 1.00 14.33 H new ATOM 0 HB2 ALA A 43 6.011 20.922 16.299 1.00 14.33 H new ATOM 0 HB3 ALA A 43 7.605 21.318 15.614 1.00 14.33 H new ATOM 651 N LEU A 44 6.152 21.881 12.266 1.00 21.10 N ATOM 652 CA LEU A 44 6.662 22.505 11.050 1.00 63.40 C ATOM 653 C LEU A 44 6.362 24.000 11.038 1.00 42.03 C ATOM 654 O LEU A 44 5.410 24.456 11.670 1.00 3.41 O ATOM 655 CB LEU A 44 6.049 21.840 9.816 1.00 22.33 C ATOM 656 CG LEU A 44 6.844 20.680 9.214 1.00 52.51 C ATOM 657 CD1 LEU A 44 8.224 21.148 8.779 1.00 10.42 C ATOM 658 CD2 LEU A 44 6.956 19.536 10.210 1.00 30.14 C ATOM 0 H LEU A 44 5.204 22.161 12.518 1.00 21.10 H new ATOM 0 HA LEU A 44 7.743 22.370 11.028 1.00 63.40 H new ATOM 0 HB2 LEU A 44 5.056 21.476 10.080 1.00 22.33 H new ATOM 0 HB3 LEU A 44 5.915 22.601 9.047 1.00 22.33 H new ATOM 0 HG LEU A 44 6.312 20.318 8.334 1.00 52.51 H new ATOM 0 HD11 LEU A 44 8.775 20.309 8.353 1.00 10.42 H new ATOM 0 HD12 LEU A 44 8.123 21.933 8.030 1.00 10.42 H new ATOM 0 HD13 LEU A 44 8.765 21.537 9.642 1.00 10.42 H new ATOM 0 HD21 LEU A 44 7.525 18.720 9.764 1.00 30.14 H new ATOM 0 HD22 LEU A 44 7.465 19.885 11.109 1.00 30.14 H new ATOM 0 HD23 LEU A 44 5.959 19.183 10.472 1.00 30.14 H new ATOM 670 N GLU A 45 7.180 24.757 10.312 1.00 33.32 N ATOM 671 CA GLU A 45 7.000 26.201 10.217 1.00 71.40 C ATOM 672 C GLU A 45 6.494 26.596 8.833 1.00 73.33 C ATOM 673 O GLU A 45 6.474 25.781 7.910 1.00 60.25 O ATOM 674 CB GLU A 45 8.316 26.922 10.516 1.00 70.42 C ATOM 675 CG GLU A 45 8.302 27.698 11.822 1.00 30.51 C ATOM 676 CD GLU A 45 9.373 28.769 11.875 1.00 4.35 C ATOM 677 OE1 GLU A 45 10.470 28.539 11.325 1.00 63.43 O ATOM 678 OE2 GLU A 45 9.115 29.838 12.468 1.00 65.23 O ATOM 0 H GLU A 45 7.973 24.394 9.782 1.00 33.32 H new ATOM 0 HA GLU A 45 6.255 26.498 10.956 1.00 71.40 H new ATOM 0 HB2 GLU A 45 9.123 26.190 10.547 1.00 70.42 H new ATOM 0 HB3 GLU A 45 8.539 27.607 9.698 1.00 70.42 H new ATOM 0 HG2 GLU A 45 7.324 28.160 11.955 1.00 30.51 H new ATOM 0 HG3 GLU A 45 8.443 27.007 12.653 1.00 30.51 H new ATOM 685 N THR A 46 6.084 27.853 8.695 1.00 33.04 N ATOM 686 CA THR A 46 5.576 28.357 7.426 1.00 73.02 C ATOM 687 C THR A 46 6.551 28.069 6.290 1.00 1.52 C ATOM 688 O THR A 46 7.766 28.152 6.466 1.00 11.34 O ATOM 689 CB THR A 46 5.311 29.873 7.489 1.00 42.13 C ATOM 690 OG1 THR A 46 4.864 30.346 6.213 1.00 65.21 O ATOM 691 CG2 THR A 46 6.567 30.625 7.902 1.00 23.13 C ATOM 0 H THR A 46 6.094 28.541 9.448 1.00 33.04 H new ATOM 0 HA THR A 46 4.636 27.840 7.234 1.00 73.02 H new ATOM 0 HB THR A 46 4.537 30.053 8.235 1.00 42.13 H new ATOM 0 HG1 THR A 46 4.696 31.310 6.262 1.00 65.21 H new ATOM 0 HG21 THR A 46 6.355 31.694 7.940 1.00 23.13 H new ATOM 0 HG22 THR A 46 6.888 30.284 8.886 1.00 23.13 H new ATOM 0 HG23 THR A 46 7.359 30.437 7.177 1.00 23.13 H new ATOM 699 N GLY A 47 6.011 27.732 5.123 1.00 32.52 N ATOM 700 CA GLY A 47 6.849 27.437 3.975 1.00 14.43 C ATOM 701 C GLY A 47 6.152 26.553 2.960 1.00 12.13 C ATOM 702 O GLY A 47 4.957 26.280 3.080 1.00 4.11 O ATOM 0 H GLY A 47 5.008 27.658 4.952 1.00 32.52 H new ATOM 0 HA2 GLY A 47 7.146 28.370 3.496 1.00 14.43 H new ATOM 0 HA3 GLY A 47 7.763 26.947 4.312 1.00 14.43 H new ATOM 706 N VAL A 48 6.899 26.105 1.956 1.00 11.13 N ATOM 707 CA VAL A 48 6.346 25.247 0.915 1.00 34.15 C ATOM 708 C VAL A 48 6.761 23.795 1.122 1.00 64.21 C ATOM 709 O VAL A 48 7.734 23.510 1.820 1.00 12.44 O ATOM 710 CB VAL A 48 6.794 25.704 -0.486 1.00 30.54 C ATOM 711 CG1 VAL A 48 6.418 27.159 -0.719 1.00 24.04 C ATOM 712 CG2 VAL A 48 8.291 25.496 -0.659 1.00 51.23 C ATOM 0 H VAL A 48 7.889 26.322 1.842 1.00 11.13 H new ATOM 0 HA VAL A 48 5.261 25.325 0.984 1.00 34.15 H new ATOM 0 HB VAL A 48 6.278 25.098 -1.230 1.00 30.54 H new ATOM 0 HG11 VAL A 48 6.743 27.464 -1.714 1.00 24.04 H new ATOM 0 HG12 VAL A 48 5.337 27.273 -0.639 1.00 24.04 H new ATOM 0 HG13 VAL A 48 6.905 27.785 0.029 1.00 24.04 H new ATOM 0 HG21 VAL A 48 8.591 25.824 -1.654 1.00 51.23 H new ATOM 0 HG22 VAL A 48 8.828 26.076 0.092 1.00 51.23 H new ATOM 0 HG23 VAL A 48 8.528 24.439 -0.538 1.00 51.23 H new ATOM 722 N MET A 49 6.018 22.879 0.509 1.00 10.40 N ATOM 723 CA MET A 49 6.311 21.455 0.624 1.00 12.44 C ATOM 724 C MET A 49 6.381 20.802 -0.752 1.00 20.51 C ATOM 725 O MET A 49 5.593 21.121 -1.642 1.00 33.00 O ATOM 726 CB MET A 49 5.247 20.762 1.478 1.00 63.31 C ATOM 727 CG MET A 49 5.381 19.248 1.503 1.00 72.30 C ATOM 728 SD MET A 49 4.059 18.449 2.434 1.00 4.33 S ATOM 729 CE MET A 49 2.617 19.062 1.568 1.00 75.34 C ATOM 0 H MET A 49 5.209 23.097 -0.072 1.00 10.40 H new ATOM 0 HA MET A 49 7.282 21.346 1.107 1.00 12.44 H new ATOM 0 HB2 MET A 49 5.308 21.141 2.498 1.00 63.31 H new ATOM 0 HB3 MET A 49 4.260 21.025 1.098 1.00 63.31 H new ATOM 0 HG2 MET A 49 5.380 18.870 0.481 1.00 72.30 H new ATOM 0 HG3 MET A 49 6.342 18.979 1.941 1.00 72.30 H new ATOM 0 HE1 MET A 49 1.842 18.295 1.563 1.00 75.34 H new ATOM 0 HE2 MET A 49 2.242 19.954 2.071 1.00 75.34 H new ATOM 0 HE3 MET A 49 2.887 19.311 0.542 1.00 75.34 H new ATOM 739 N ARG A 50 7.329 19.886 -0.919 1.00 63.34 N ATOM 740 CA ARG A 50 7.503 19.188 -2.188 1.00 53.50 C ATOM 741 C ARG A 50 7.161 17.708 -2.046 1.00 0.10 C ATOM 742 O ARG A 50 7.835 16.971 -1.326 1.00 70.24 O ATOM 743 CB ARG A 50 8.940 19.345 -2.688 1.00 52.44 C ATOM 744 CG ARG A 50 9.385 20.793 -2.818 1.00 20.13 C ATOM 745 CD ARG A 50 10.358 20.975 -3.972 1.00 4.44 C ATOM 746 NE ARG A 50 11.442 21.894 -3.634 1.00 10.44 N ATOM 747 CZ ARG A 50 12.403 22.242 -4.483 1.00 34.04 C ATOM 748 NH1 ARG A 50 12.414 21.750 -5.714 1.00 32.12 N ATOM 749 NH2 ARG A 50 13.354 23.084 -4.101 1.00 25.11 N ATOM 0 H ARG A 50 7.989 19.610 -0.192 1.00 63.34 H new ATOM 0 HA ARG A 50 6.822 19.632 -2.914 1.00 53.50 H new ATOM 0 HB2 ARG A 50 9.612 18.827 -2.004 1.00 52.44 H new ATOM 0 HB3 ARG A 50 9.034 18.856 -3.658 1.00 52.44 H new ATOM 0 HG2 ARG A 50 8.514 21.430 -2.971 1.00 20.13 H new ATOM 0 HG3 ARG A 50 9.856 21.115 -1.889 1.00 20.13 H new ATOM 0 HD2 ARG A 50 10.776 20.007 -4.250 1.00 4.44 H new ATOM 0 HD3 ARG A 50 9.821 21.352 -4.843 1.00 4.44 H new ATOM 0 HE ARG A 50 11.462 22.290 -2.694 1.00 10.44 H new ATOM 0 HH11 ARG A 50 11.684 21.103 -6.011 1.00 32.12 H new ATOM 0 HH12 ARG A 50 13.153 22.019 -6.364 1.00 32.12 H new ATOM 0 HH21 ARG A 50 13.348 23.465 -3.155 1.00 25.11 H new ATOM 0 HH22 ARG A 50 14.091 23.351 -4.753 1.00 25.11 H new ATOM 763 N VAL A 51 6.109 17.280 -2.737 1.00 21.13 N ATOM 764 CA VAL A 51 5.678 15.888 -2.688 1.00 71.03 C ATOM 765 C VAL A 51 6.266 15.090 -3.847 1.00 31.14 C ATOM 766 O VAL A 51 6.302 15.561 -4.983 1.00 51.24 O ATOM 767 CB VAL A 51 4.142 15.774 -2.728 1.00 44.42 C ATOM 768 CG1 VAL A 51 3.710 14.324 -2.577 1.00 70.13 C ATOM 769 CG2 VAL A 51 3.516 16.641 -1.646 1.00 41.44 C ATOM 0 H VAL A 51 5.540 17.877 -3.337 1.00 21.13 H new ATOM 0 HA VAL A 51 6.041 15.477 -1.746 1.00 71.03 H new ATOM 0 HB VAL A 51 3.793 16.133 -3.696 1.00 44.42 H new ATOM 0 HG11 VAL A 51 2.622 14.263 -2.608 1.00 70.13 H new ATOM 0 HG12 VAL A 51 4.129 13.733 -3.391 1.00 70.13 H new ATOM 0 HG13 VAL A 51 4.068 13.935 -1.624 1.00 70.13 H new ATOM 0 HG21 VAL A 51 2.431 16.549 -1.688 1.00 41.44 H new ATOM 0 HG22 VAL A 51 3.870 16.315 -0.668 1.00 41.44 H new ATOM 0 HG23 VAL A 51 3.798 17.682 -1.805 1.00 41.44 H new ATOM 779 N ARG A 52 6.725 13.879 -3.550 1.00 63.43 N ATOM 780 CA ARG A 52 7.313 13.014 -4.567 1.00 53.51 C ATOM 781 C ARG A 52 6.538 11.704 -4.681 1.00 5.54 C ATOM 782 O ARG A 52 6.658 10.826 -3.827 1.00 2.42 O ATOM 783 CB ARG A 52 8.778 12.726 -4.237 1.00 43.10 C ATOM 784 CG ARG A 52 9.759 13.372 -5.202 1.00 54.15 C ATOM 785 CD ARG A 52 11.178 13.343 -4.658 1.00 10.45 C ATOM 786 NE ARG A 52 12.061 14.253 -5.383 1.00 21.14 N ATOM 787 CZ ARG A 52 13.266 14.608 -4.950 1.00 13.31 C ATOM 788 NH1 ARG A 52 13.728 14.133 -3.802 1.00 22.12 N ATOM 789 NH2 ARG A 52 14.011 15.441 -5.666 1.00 75.53 N ATOM 0 H ARG A 52 6.701 13.474 -2.614 1.00 63.43 H new ATOM 0 HA ARG A 52 7.259 13.532 -5.524 1.00 53.51 H new ATOM 0 HB2 ARG A 52 8.990 13.078 -3.227 1.00 43.10 H new ATOM 0 HB3 ARG A 52 8.937 11.648 -4.239 1.00 43.10 H new ATOM 0 HG2 ARG A 52 9.725 12.852 -6.159 1.00 54.15 H new ATOM 0 HG3 ARG A 52 9.461 14.404 -5.389 1.00 54.15 H new ATOM 0 HD2 ARG A 52 11.167 13.613 -3.602 1.00 10.45 H new ATOM 0 HD3 ARG A 52 11.571 12.328 -4.723 1.00 10.45 H new ATOM 0 HE ARG A 52 11.735 14.637 -6.270 1.00 21.14 H new ATOM 0 HH11 ARG A 52 13.158 13.493 -3.249 1.00 22.12 H new ATOM 0 HH12 ARG A 52 14.653 14.407 -3.472 1.00 22.12 H new ATOM 0 HH21 ARG A 52 13.659 15.809 -6.550 1.00 75.53 H new ATOM 0 HH22 ARG A 52 14.936 15.713 -5.333 1.00 75.53 H new ATOM 803 N GLN A 53 5.745 11.582 -5.740 1.00 21.11 N ATOM 804 CA GLN A 53 4.951 10.380 -5.964 1.00 33.24 C ATOM 805 C GLN A 53 5.759 9.325 -6.712 1.00 31.44 C ATOM 806 O GLN A 53 5.662 8.132 -6.420 1.00 52.41 O ATOM 807 CB GLN A 53 3.683 10.720 -6.749 1.00 71.21 C ATOM 808 CG GLN A 53 2.554 11.253 -5.882 1.00 2.05 C ATOM 809 CD GLN A 53 1.314 11.595 -6.683 1.00 33.10 C ATOM 810 OE1 GLN A 53 1.124 11.103 -7.796 1.00 4.21 O ATOM 811 NE2 GLN A 53 0.460 12.442 -6.120 1.00 73.11 N ATOM 0 H GLN A 53 5.635 12.300 -6.456 1.00 21.11 H new ATOM 0 HA GLN A 53 4.670 9.974 -4.992 1.00 33.24 H new ATOM 0 HB2 GLN A 53 3.925 11.461 -7.511 1.00 71.21 H new ATOM 0 HB3 GLN A 53 3.339 9.827 -7.271 1.00 71.21 H new ATOM 0 HG2 GLN A 53 2.300 10.510 -5.126 1.00 2.05 H new ATOM 0 HG3 GLN A 53 2.896 12.142 -5.353 1.00 2.05 H new ATOM 0 HE21 GLN A 53 0.657 12.826 -5.196 1.00 73.11 H new ATOM 0 HE22 GLN A 53 -0.393 12.709 -6.612 1.00 73.11 H new ATOM 820 N ASP A 54 6.555 9.771 -7.677 1.00 23.15 N ATOM 821 CA ASP A 54 7.381 8.865 -8.466 1.00 63.03 C ATOM 822 C ASP A 54 8.252 9.641 -9.450 1.00 14.12 C ATOM 823 O ASP A 54 9.458 9.781 -9.250 1.00 2.14 O ATOM 824 CB ASP A 54 6.502 7.867 -9.221 1.00 64.35 C ATOM 825 CG ASP A 54 6.498 6.495 -8.576 1.00 10.12 C ATOM 826 OD1 ASP A 54 7.561 5.841 -8.567 1.00 23.42 O ATOM 827 OD2 ASP A 54 5.431 6.076 -8.080 1.00 71.42 O ATOM 0 H ASP A 54 6.646 10.754 -7.932 1.00 23.15 H new ATOM 0 HA ASP A 54 8.033 8.320 -7.784 1.00 63.03 H new ATOM 0 HB2 ASP A 54 5.481 8.247 -9.265 1.00 64.35 H new ATOM 0 HB3 ASP A 54 6.855 7.781 -10.249 1.00 64.35 H new ATOM 832 N ARG A 55 7.631 10.143 -10.513 1.00 23.42 N ATOM 833 CA ARG A 55 8.350 10.902 -11.529 1.00 13.43 C ATOM 834 C ARG A 55 7.957 12.376 -11.484 1.00 41.32 C ATOM 835 O ARG A 55 8.739 13.248 -11.862 1.00 23.14 O ATOM 836 CB ARG A 55 8.067 10.330 -12.919 1.00 1.10 C ATOM 837 CG ARG A 55 9.211 10.524 -13.901 1.00 74.33 C ATOM 838 CD ARG A 55 8.792 10.173 -15.320 1.00 74.53 C ATOM 839 NE ARG A 55 8.428 8.764 -15.451 1.00 44.00 N ATOM 840 CZ ARG A 55 7.839 8.254 -16.527 1.00 24.32 C ATOM 841 NH1 ARG A 55 7.549 9.032 -17.560 1.00 1.41 N ATOM 842 NH2 ARG A 55 7.540 6.962 -16.571 1.00 21.32 N ATOM 0 H ARG A 55 6.632 10.038 -10.693 1.00 23.42 H new ATOM 0 HA ARG A 55 9.417 10.821 -11.321 1.00 13.43 H new ATOM 0 HB2 ARG A 55 7.854 9.265 -12.828 1.00 1.10 H new ATOM 0 HB3 ARG A 55 7.170 10.801 -13.321 1.00 1.10 H new ATOM 0 HG2 ARG A 55 9.550 11.559 -13.866 1.00 74.33 H new ATOM 0 HG3 ARG A 55 10.055 9.902 -13.605 1.00 74.33 H new ATOM 0 HD2 ARG A 55 7.946 10.795 -15.612 1.00 74.53 H new ATOM 0 HD3 ARG A 55 9.608 10.402 -16.006 1.00 74.53 H new ATOM 0 HE ARG A 55 8.638 8.138 -14.674 1.00 44.00 H new ATOM 0 HH11 ARG A 55 7.778 10.025 -17.530 1.00 1.41 H new ATOM 0 HH12 ARG A 55 7.097 8.637 -18.385 1.00 1.41 H new ATOM 0 HH21 ARG A 55 7.762 6.360 -15.778 1.00 21.32 H new ATOM 0 HH22 ARG A 55 7.088 6.571 -17.397 1.00 21.32 H new ATOM 856 N GLU A 56 6.740 12.646 -11.021 1.00 64.30 N ATOM 857 CA GLU A 56 6.244 14.014 -10.929 1.00 25.20 C ATOM 858 C GLU A 56 6.465 14.579 -9.529 1.00 12.41 C ATOM 859 O GLU A 56 6.955 13.886 -8.638 1.00 61.50 O ATOM 860 CB GLU A 56 4.757 14.066 -11.284 1.00 31.55 C ATOM 861 CG GLU A 56 4.481 14.622 -12.670 1.00 14.51 C ATOM 862 CD GLU A 56 5.097 13.780 -13.770 1.00 53.53 C ATOM 863 OE1 GLU A 56 6.311 13.930 -14.022 1.00 11.23 O ATOM 864 OE2 GLU A 56 4.365 12.973 -14.380 1.00 24.51 O ATOM 0 H GLU A 56 6.080 11.936 -10.704 1.00 64.30 H new ATOM 0 HA GLU A 56 6.801 14.624 -11.640 1.00 25.20 H new ATOM 0 HB2 GLU A 56 4.340 13.061 -11.215 1.00 31.55 H new ATOM 0 HB3 GLU A 56 4.237 14.677 -10.546 1.00 31.55 H new ATOM 0 HG2 GLU A 56 3.404 14.683 -12.825 1.00 14.51 H new ATOM 0 HG3 GLU A 56 4.871 15.638 -12.734 1.00 14.51 H new ATOM 871 N TRP A 57 6.100 15.843 -9.344 1.00 31.32 N ATOM 872 CA TRP A 57 6.258 16.502 -8.053 1.00 1.44 C ATOM 873 C TRP A 57 5.157 17.534 -7.830 1.00 24.33 C ATOM 874 O TRP A 57 4.668 18.149 -8.777 1.00 62.55 O ATOM 875 CB TRP A 57 7.629 17.175 -7.965 1.00 22.42 C ATOM 876 CG TRP A 57 7.898 18.126 -9.091 1.00 54.03 C ATOM 877 CD1 TRP A 57 8.286 17.805 -10.360 1.00 63.35 C ATOM 878 CD2 TRP A 57 7.799 19.554 -9.049 1.00 71.31 C ATOM 879 NE1 TRP A 57 8.435 18.947 -11.110 1.00 22.22 N ATOM 880 CE2 TRP A 57 8.141 20.033 -10.329 1.00 23.03 C ATOM 881 CE3 TRP A 57 7.453 20.474 -8.056 1.00 33.32 C ATOM 882 CZ2 TRP A 57 8.148 21.391 -10.638 1.00 30.45 C ATOM 883 CZ3 TRP A 57 7.460 21.821 -8.364 1.00 22.21 C ATOM 884 CH2 TRP A 57 7.805 22.269 -9.646 1.00 0.01 C ATOM 0 H TRP A 57 5.693 16.431 -10.071 1.00 31.32 H new ATOM 0 HA TRP A 57 6.183 15.743 -7.274 1.00 1.44 H new ATOM 0 HB2 TRP A 57 7.702 17.713 -7.020 1.00 22.42 H new ATOM 0 HB3 TRP A 57 8.403 16.407 -7.955 1.00 22.42 H new ATOM 0 HD1 TRP A 57 8.452 16.801 -10.721 1.00 63.35 H new ATOM 0 HE1 TRP A 57 8.718 18.980 -12.089 1.00 22.22 H new ATOM 0 HE3 TRP A 57 7.185 20.138 -7.065 1.00 33.32 H new ATOM 0 HZ2 TRP A 57 8.415 21.739 -11.625 1.00 30.45 H new ATOM 0 HZ3 TRP A 57 7.195 22.541 -7.604 1.00 22.21 H new ATOM 0 HH2 TRP A 57 7.800 23.328 -9.855 1.00 0.01 H new ATOM 895 N VAL A 58 4.772 17.719 -6.571 1.00 72.02 N ATOM 896 CA VAL A 58 3.729 18.677 -6.224 1.00 43.42 C ATOM 897 C VAL A 58 4.248 19.721 -5.241 1.00 54.23 C ATOM 898 O VAL A 58 5.023 19.408 -4.339 1.00 22.31 O ATOM 899 CB VAL A 58 2.503 17.975 -5.611 1.00 51.44 C ATOM 900 CG1 VAL A 58 1.377 18.972 -5.380 1.00 5.15 C ATOM 901 CG2 VAL A 58 2.040 16.835 -6.506 1.00 24.05 C ATOM 0 H VAL A 58 5.167 17.218 -5.775 1.00 72.02 H new ATOM 0 HA VAL A 58 3.430 19.170 -7.149 1.00 43.42 H new ATOM 0 HB VAL A 58 2.790 17.557 -4.646 1.00 51.44 H new ATOM 0 HG11 VAL A 58 0.519 18.458 -4.946 1.00 5.15 H new ATOM 0 HG12 VAL A 58 1.716 19.752 -4.698 1.00 5.15 H new ATOM 0 HG13 VAL A 58 1.088 19.422 -6.330 1.00 5.15 H new ATOM 0 HG21 VAL A 58 1.173 16.350 -6.058 1.00 24.05 H new ATOM 0 HG22 VAL A 58 1.770 17.228 -7.486 1.00 24.05 H new ATOM 0 HG23 VAL A 58 2.845 16.109 -6.616 1.00 24.05 H new ATOM 911 N ALA A 59 3.813 20.964 -5.423 1.00 31.03 N ATOM 912 CA ALA A 59 4.231 22.054 -4.550 1.00 52.43 C ATOM 913 C ALA A 59 3.026 22.751 -3.927 1.00 41.30 C ATOM 914 O ALA A 59 2.217 23.358 -4.629 1.00 52.31 O ATOM 915 CB ALA A 59 5.079 23.053 -5.323 1.00 43.22 C ATOM 0 H ALA A 59 3.172 21.241 -6.167 1.00 31.03 H new ATOM 0 HA ALA A 59 4.831 21.632 -3.744 1.00 52.43 H new ATOM 0 HB1 ALA A 59 5.384 23.862 -4.659 1.00 43.22 H new ATOM 0 HB2 ALA A 59 5.964 22.552 -5.716 1.00 43.22 H new ATOM 0 HB3 ALA A 59 4.497 23.462 -6.149 1.00 43.22 H new ATOM 921 N ILE A 60 2.913 22.659 -2.606 1.00 42.43 N ATOM 922 CA ILE A 60 1.807 23.282 -1.890 1.00 21.24 C ATOM 923 C ILE A 60 2.315 24.287 -0.861 1.00 34.41 C ATOM 924 O ILE A 60 3.355 24.080 -0.237 1.00 61.21 O ATOM 925 CB ILE A 60 0.935 22.231 -1.177 1.00 64.23 C ATOM 926 CG1 ILE A 60 0.382 21.225 -2.189 1.00 14.30 C ATOM 927 CG2 ILE A 60 -0.198 22.907 -0.420 1.00 44.42 C ATOM 928 CD1 ILE A 60 -0.478 20.149 -1.563 1.00 42.30 C ATOM 0 H ILE A 60 3.573 22.159 -2.011 1.00 42.43 H new ATOM 0 HA ILE A 60 1.202 23.801 -2.633 1.00 21.24 H new ATOM 0 HB ILE A 60 1.554 21.693 -0.459 1.00 64.23 H new ATOM 0 HG12 ILE A 60 -0.205 21.759 -2.936 1.00 14.30 H new ATOM 0 HG13 ILE A 60 1.214 20.755 -2.713 1.00 14.30 H new ATOM 0 HG21 ILE A 60 -0.805 22.151 0.078 1.00 44.42 H new ATOM 0 HG22 ILE A 60 0.216 23.588 0.324 1.00 44.42 H new ATOM 0 HG23 ILE A 60 -0.819 23.468 -1.119 1.00 44.42 H new ATOM 0 HD11 ILE A 60 -0.835 19.472 -2.339 1.00 42.30 H new ATOM 0 HD12 ILE A 60 0.111 19.590 -0.836 1.00 42.30 H new ATOM 0 HD13 ILE A 60 -1.330 20.609 -1.063 1.00 42.30 H new ATOM 940 N ALA A 61 1.571 25.375 -0.688 1.00 24.30 N ATOM 941 CA ALA A 61 1.944 26.410 0.268 1.00 13.10 C ATOM 942 C ALA A 61 1.103 26.314 1.536 1.00 14.34 C ATOM 943 O ALA A 61 -0.111 26.113 1.475 1.00 20.31 O ATOM 944 CB ALA A 61 1.797 27.787 -0.362 1.00 3.31 C ATOM 0 H ALA A 61 0.707 25.562 -1.197 1.00 24.30 H new ATOM 0 HA ALA A 61 2.988 26.258 0.543 1.00 13.10 H new ATOM 0 HB1 ALA A 61 2.079 28.551 0.363 1.00 3.31 H new ATOM 0 HB2 ALA A 61 2.445 27.859 -1.235 1.00 3.31 H new ATOM 0 HB3 ALA A 61 0.761 27.940 -0.666 1.00 3.31 H new ATOM 950 N LEU A 62 1.754 26.459 2.685 1.00 42.21 N ATOM 951 CA LEU A 62 1.066 26.388 3.969 1.00 11.42 C ATOM 952 C LEU A 62 1.848 27.131 5.048 1.00 51.22 C ATOM 953 O LEU A 62 3.062 26.971 5.170 1.00 71.25 O ATOM 954 CB LEU A 62 0.865 24.929 4.383 1.00 53.45 C ATOM 955 CG LEU A 62 2.115 24.049 4.367 1.00 72.10 C ATOM 956 CD1 LEU A 62 2.792 24.060 5.728 1.00 23.35 C ATOM 957 CD2 LEU A 62 1.761 22.627 3.957 1.00 75.03 C ATOM 0 H LEU A 62 2.758 26.627 2.754 1.00 42.21 H new ATOM 0 HA LEU A 62 0.092 26.865 3.858 1.00 11.42 H new ATOM 0 HB2 LEU A 62 0.446 24.912 5.389 1.00 53.45 H new ATOM 0 HB3 LEU A 62 0.123 24.483 3.721 1.00 53.45 H new ATOM 0 HG LEU A 62 2.812 24.454 3.634 1.00 72.10 H new ATOM 0 HD11 LEU A 62 3.680 23.428 5.698 1.00 23.35 H new ATOM 0 HD12 LEU A 62 3.081 25.080 5.983 1.00 23.35 H new ATOM 0 HD13 LEU A 62 2.102 23.680 6.481 1.00 23.35 H new ATOM 0 HD21 LEU A 62 2.663 22.015 3.951 1.00 75.03 H new ATOM 0 HD22 LEU A 62 1.045 22.211 4.666 1.00 75.03 H new ATOM 0 HD23 LEU A 62 1.321 22.635 2.960 1.00 75.03 H new ATOM 969 N MET A 63 1.143 27.943 5.830 1.00 60.45 N ATOM 970 CA MET A 63 1.771 28.707 6.901 1.00 42.44 C ATOM 971 C MET A 63 2.152 27.800 8.066 1.00 63.54 C ATOM 972 O MET A 63 2.090 26.576 7.958 1.00 72.35 O ATOM 973 CB MET A 63 0.831 29.812 7.386 1.00 2.52 C ATOM 974 CG MET A 63 0.340 30.725 6.274 1.00 73.41 C ATOM 975 SD MET A 63 1.554 31.976 5.815 1.00 55.50 S ATOM 976 CE MET A 63 1.321 33.171 7.129 1.00 50.31 C ATOM 0 H MET A 63 0.137 28.088 5.742 1.00 60.45 H new ATOM 0 HA MET A 63 2.680 29.160 6.505 1.00 42.44 H new ATOM 0 HB2 MET A 63 -0.029 29.356 7.877 1.00 2.52 H new ATOM 0 HB3 MET A 63 1.346 30.412 8.137 1.00 2.52 H new ATOM 0 HG2 MET A 63 0.094 30.124 5.398 1.00 73.41 H new ATOM 0 HG3 MET A 63 -0.580 31.216 6.592 1.00 73.41 H new ATOM 0 HE1 MET A 63 2.016 34.000 6.995 1.00 50.31 H new ATOM 0 HE2 MET A 63 0.298 33.547 7.102 1.00 50.31 H new ATOM 0 HE3 MET A 63 1.506 32.694 8.091 1.00 50.31 H new ATOM 986 N GLY A 64 2.548 28.408 9.180 1.00 53.02 N ATOM 987 CA GLY A 64 2.933 27.639 10.348 1.00 24.33 C ATOM 988 C GLY A 64 1.885 26.617 10.742 1.00 61.14 C ATOM 989 O GLY A 64 0.687 26.870 10.624 1.00 31.24 O ATOM 0 H GLY A 64 2.609 29.420 9.294 1.00 53.02 H new ATOM 0 HA2 GLY A 64 3.876 27.129 10.149 1.00 24.33 H new ATOM 0 HA3 GLY A 64 3.107 28.317 11.184 1.00 24.33 H new ATOM 993 N GLY A 65 2.337 25.457 11.209 1.00 62.12 N ATOM 994 CA GLY A 65 1.417 24.410 11.612 1.00 74.04 C ATOM 995 C GLY A 65 2.127 23.211 12.208 1.00 11.22 C ATOM 996 O GLY A 65 3.283 23.308 12.621 1.00 33.54 O ATOM 0 H GLY A 65 3.324 25.224 11.315 1.00 62.12 H new ATOM 0 HA2 GLY A 65 0.713 24.811 12.341 1.00 74.04 H new ATOM 0 HA3 GLY A 65 0.834 24.091 10.748 1.00 74.04 H new ATOM 1000 N PHE A 66 1.434 22.078 12.255 1.00 24.02 N ATOM 1001 CA PHE A 66 2.005 20.855 12.808 1.00 3.44 C ATOM 1002 C PHE A 66 1.800 19.680 11.857 1.00 43.42 C ATOM 1003 O PHE A 66 0.776 19.587 11.181 1.00 62.31 O ATOM 1004 CB PHE A 66 1.375 20.542 14.167 1.00 52.21 C ATOM 1005 CG PHE A 66 1.548 21.641 15.176 1.00 41.21 C ATOM 1006 CD1 PHE A 66 2.813 22.027 15.589 1.00 21.24 C ATOM 1007 CD2 PHE A 66 0.446 22.289 15.710 1.00 21.05 C ATOM 1008 CE1 PHE A 66 2.975 23.037 16.518 1.00 1.23 C ATOM 1009 CE2 PHE A 66 0.602 23.301 16.639 1.00 20.55 C ATOM 1010 CZ PHE A 66 1.868 23.676 17.043 1.00 24.31 C ATOM 0 H PHE A 66 0.477 21.981 11.917 1.00 24.02 H new ATOM 0 HA PHE A 66 3.076 21.011 12.939 1.00 3.44 H new ATOM 0 HB2 PHE A 66 0.311 20.350 14.030 1.00 52.21 H new ATOM 0 HB3 PHE A 66 1.816 19.626 14.560 1.00 52.21 H new ATOM 0 HD1 PHE A 66 3.682 21.533 15.180 1.00 21.24 H new ATOM 0 HD2 PHE A 66 -0.546 22.000 15.397 1.00 21.05 H new ATOM 0 HE1 PHE A 66 3.966 23.327 16.834 1.00 1.23 H new ATOM 0 HE2 PHE A 66 -0.265 23.798 17.048 1.00 20.55 H new ATOM 0 HZ PHE A 66 1.993 24.467 17.768 1.00 24.31 H new ATOM 1020 N ALA A 67 2.783 18.786 11.810 1.00 54.42 N ATOM 1021 CA ALA A 67 2.710 17.617 10.943 1.00 63.20 C ATOM 1022 C ALA A 67 2.932 16.332 11.735 1.00 55.45 C ATOM 1023 O ALA A 67 3.756 16.290 12.647 1.00 62.43 O ATOM 1024 CB ALA A 67 3.730 17.729 9.819 1.00 31.13 C ATOM 0 H ALA A 67 3.638 18.849 12.362 1.00 54.42 H new ATOM 0 HA ALA A 67 1.711 17.578 10.510 1.00 63.20 H new ATOM 0 HB1 ALA A 67 3.664 16.849 9.179 1.00 31.13 H new ATOM 0 HB2 ALA A 67 3.525 18.623 9.229 1.00 31.13 H new ATOM 0 HB3 ALA A 67 4.732 17.796 10.242 1.00 31.13 H new ATOM 1030 N GLU A 68 2.189 15.288 11.379 1.00 1.43 N ATOM 1031 CA GLU A 68 2.304 14.003 12.059 1.00 44.42 C ATOM 1032 C GLU A 68 2.009 12.853 11.101 1.00 65.13 C ATOM 1033 O GLU A 68 0.926 12.775 10.521 1.00 43.11 O ATOM 1034 CB GLU A 68 1.349 13.945 13.253 1.00 40.04 C ATOM 1035 CG GLU A 68 1.275 12.576 13.907 1.00 64.31 C ATOM 1036 CD GLU A 68 0.430 12.575 15.166 1.00 43.40 C ATOM 1037 OE1 GLU A 68 -0.312 13.555 15.383 1.00 13.40 O ATOM 1038 OE2 GLU A 68 0.512 11.594 15.934 1.00 10.13 O ATOM 0 H GLU A 68 1.502 15.307 10.625 1.00 1.43 H new ATOM 0 HA GLU A 68 3.328 13.901 12.418 1.00 44.42 H new ATOM 0 HB2 GLU A 68 1.665 14.677 13.996 1.00 40.04 H new ATOM 0 HB3 GLU A 68 0.351 14.236 12.924 1.00 40.04 H new ATOM 0 HG2 GLU A 68 0.862 11.860 13.196 1.00 64.31 H new ATOM 0 HG3 GLU A 68 2.283 12.239 14.150 1.00 64.31 H new ATOM 1045 N VAL A 69 2.982 11.961 10.939 1.00 11.10 N ATOM 1046 CA VAL A 69 2.828 10.814 10.052 1.00 13.11 C ATOM 1047 C VAL A 69 2.634 9.527 10.846 1.00 11.45 C ATOM 1048 O VAL A 69 3.189 9.368 11.933 1.00 12.21 O ATOM 1049 CB VAL A 69 4.047 10.653 9.125 1.00 2.51 C ATOM 1050 CG1 VAL A 69 5.212 10.028 9.878 1.00 74.11 C ATOM 1051 CG2 VAL A 69 3.682 9.822 7.905 1.00 43.03 C ATOM 0 H VAL A 69 3.885 12.011 11.411 1.00 11.10 H new ATOM 0 HA VAL A 69 1.942 11.001 9.445 1.00 13.11 H new ATOM 0 HB VAL A 69 4.355 11.641 8.784 1.00 2.51 H new ATOM 0 HG11 VAL A 69 6.064 9.922 9.207 1.00 74.11 H new ATOM 0 HG12 VAL A 69 5.488 10.667 10.717 1.00 74.11 H new ATOM 0 HG13 VAL A 69 4.920 9.046 10.251 1.00 74.11 H new ATOM 0 HG21 VAL A 69 4.555 9.718 7.261 1.00 43.03 H new ATOM 0 HG22 VAL A 69 3.347 8.835 8.224 1.00 43.03 H new ATOM 0 HG23 VAL A 69 2.882 10.316 7.354 1.00 43.03 H new ATOM 1061 N GLU A 70 1.843 8.612 10.296 1.00 71.23 N ATOM 1062 CA GLU A 70 1.576 7.338 10.954 1.00 51.30 C ATOM 1063 C GLU A 70 0.797 6.403 10.034 1.00 63.24 C ATOM 1064 O GLU A 70 -0.298 6.732 9.579 1.00 24.43 O ATOM 1065 CB GLU A 70 0.795 7.563 12.250 1.00 34.13 C ATOM 1066 CG GLU A 70 -0.436 8.438 12.076 1.00 65.43 C ATOM 1067 CD GLU A 70 -1.205 8.627 13.369 1.00 61.04 C ATOM 1068 OE1 GLU A 70 -0.793 9.476 14.186 1.00 25.22 O ATOM 1069 OE2 GLU A 70 -2.220 7.926 13.562 1.00 32.21 O ATOM 0 H GLU A 70 1.376 8.729 9.397 1.00 71.23 H new ATOM 0 HA GLU A 70 2.533 6.873 11.190 1.00 51.30 H new ATOM 0 HB2 GLU A 70 0.490 6.597 12.652 1.00 34.13 H new ATOM 0 HB3 GLU A 70 1.455 8.021 12.987 1.00 34.13 H new ATOM 0 HG2 GLU A 70 -0.133 9.412 11.692 1.00 65.43 H new ATOM 0 HG3 GLU A 70 -1.092 7.991 11.329 1.00 65.43 H new ATOM 1076 N ASN A 71 1.372 5.235 9.763 1.00 50.31 N ATOM 1077 CA ASN A 71 0.733 4.252 8.896 1.00 62.22 C ATOM 1078 C ASN A 71 0.289 4.891 7.583 1.00 23.53 C ATOM 1079 O ASN A 71 -0.848 4.715 7.149 1.00 32.53 O ATOM 1080 CB ASN A 71 -0.469 3.623 9.602 1.00 15.04 C ATOM 1081 CG ASN A 71 -0.668 2.168 9.222 1.00 3.43 C ATOM 1082 OD1 ASN A 71 0.156 1.580 8.522 1.00 43.43 O ATOM 1083 ND2 ASN A 71 -1.765 1.581 9.684 1.00 75.20 N ATOM 0 H ASN A 71 2.279 4.947 10.131 1.00 50.31 H new ATOM 0 HA ASN A 71 1.462 3.474 8.672 1.00 62.22 H new ATOM 0 HB2 ASN A 71 -0.333 3.698 10.681 1.00 15.04 H new ATOM 0 HB3 ASN A 71 -1.368 4.187 9.354 1.00 15.04 H new ATOM 0 HD21 ASN A 71 -1.952 0.603 9.462 1.00 75.20 H new ATOM 0 HD22 ASN A 71 -2.421 2.108 10.261 1.00 75.20 H new ATOM 1090 N ASN A 72 1.196 5.632 6.956 1.00 4.52 N ATOM 1091 CA ASN A 72 0.899 6.298 5.693 1.00 73.31 C ATOM 1092 C ASN A 72 -0.201 7.340 5.873 1.00 73.53 C ATOM 1093 O ASN A 72 -1.033 7.537 4.988 1.00 71.54 O ATOM 1094 CB ASN A 72 0.477 5.272 4.639 1.00 24.51 C ATOM 1095 CG ASN A 72 1.226 3.960 4.778 1.00 72.13 C ATOM 1096 OD1 ASN A 72 2.543 4.043 4.926 1.00 34.20 O flip ATOM 1097 ND2 ASN A 72 0.627 2.885 4.752 1.00 52.22 N flip ATOM 0 H ASN A 72 2.143 5.787 7.302 1.00 4.52 H new ATOM 0 HA ASN A 72 1.803 6.805 5.356 1.00 73.31 H new ATOM 0 HB2 ASN A 72 -0.594 5.087 4.724 1.00 24.51 H new ATOM 0 HB3 ASN A 72 0.651 5.683 3.645 1.00 24.51 H new ATOM 0 HD21 ASN A 72 -0.386 2.868 4.636 1.00 52.22 H new ATOM 0 HD22 ASN A 72 1.144 2.011 4.846 1.00 52.22 H new ATOM 1104 N GLU A 73 -0.197 8.004 7.024 1.00 35.44 N ATOM 1105 CA GLU A 73 -1.195 9.025 7.320 1.00 74.03 C ATOM 1106 C GLU A 73 -0.535 10.292 7.855 1.00 2.21 C ATOM 1107 O GLU A 73 -0.204 10.381 9.037 1.00 3.15 O ATOM 1108 CB GLU A 73 -2.212 8.498 8.335 1.00 5.32 C ATOM 1109 CG GLU A 73 -2.739 7.112 8.006 1.00 64.22 C ATOM 1110 CD GLU A 73 -4.252 7.070 7.912 1.00 25.12 C ATOM 1111 OE1 GLU A 73 -4.915 7.705 8.758 1.00 34.23 O ATOM 1112 OE2 GLU A 73 -4.771 6.403 6.994 1.00 75.42 O ATOM 0 H GLU A 73 0.486 7.853 7.767 1.00 35.44 H new ATOM 0 HA GLU A 73 -1.713 9.270 6.393 1.00 74.03 H new ATOM 0 HB2 GLU A 73 -1.750 8.477 9.322 1.00 5.32 H new ATOM 0 HB3 GLU A 73 -3.050 9.192 8.390 1.00 5.32 H new ATOM 0 HG2 GLU A 73 -2.311 6.780 7.060 1.00 64.22 H new ATOM 0 HG3 GLU A 73 -2.407 6.410 8.771 1.00 64.22 H new ATOM 1119 N VAL A 74 -0.346 11.271 6.976 1.00 63.25 N ATOM 1120 CA VAL A 74 0.275 12.533 7.358 1.00 14.55 C ATOM 1121 C VAL A 74 -0.777 13.610 7.603 1.00 4.23 C ATOM 1122 O VAL A 74 -1.496 14.012 6.688 1.00 71.42 O ATOM 1123 CB VAL A 74 1.257 13.026 6.279 1.00 13.42 C ATOM 1124 CG1 VAL A 74 2.188 14.086 6.848 1.00 21.23 C ATOM 1125 CG2 VAL A 74 2.049 11.860 5.707 1.00 14.14 C ATOM 0 H VAL A 74 -0.614 11.214 5.994 1.00 63.25 H new ATOM 0 HA VAL A 74 0.825 12.349 8.281 1.00 14.55 H new ATOM 0 HB VAL A 74 0.684 13.478 5.470 1.00 13.42 H new ATOM 0 HG11 VAL A 74 2.875 14.422 6.071 1.00 21.23 H new ATOM 0 HG12 VAL A 74 1.601 14.932 7.205 1.00 21.23 H new ATOM 0 HG13 VAL A 74 2.757 13.664 7.677 1.00 21.23 H new ATOM 0 HG21 VAL A 74 2.738 12.227 4.946 1.00 14.14 H new ATOM 0 HG22 VAL A 74 2.613 11.377 6.505 1.00 14.14 H new ATOM 0 HG23 VAL A 74 1.364 11.140 5.260 1.00 14.14 H new ATOM 1135 N THR A 75 -0.861 14.076 8.846 1.00 61.23 N ATOM 1136 CA THR A 75 -1.824 15.106 9.212 1.00 35.01 C ATOM 1137 C THR A 75 -1.145 16.460 9.380 1.00 42.15 C ATOM 1138 O THR A 75 -0.372 16.665 10.316 1.00 44.44 O ATOM 1139 CB THR A 75 -2.560 14.749 10.518 1.00 62.54 C ATOM 1140 OG1 THR A 75 -1.900 13.656 11.168 1.00 55.40 O ATOM 1141 CG2 THR A 75 -4.009 14.379 10.239 1.00 41.23 C ATOM 0 H THR A 75 -0.273 13.756 9.616 1.00 61.23 H new ATOM 0 HA THR A 75 -2.548 15.164 8.399 1.00 35.01 H new ATOM 0 HB THR A 75 -2.544 15.623 11.169 1.00 62.54 H new ATOM 0 HG1 THR A 75 -2.372 13.436 11.998 1.00 55.40 H new ATOM 0 HG21 THR A 75 -4.508 14.131 11.176 1.00 41.23 H new ATOM 0 HG22 THR A 75 -4.516 15.222 9.770 1.00 41.23 H new ATOM 0 HG23 THR A 75 -4.043 13.518 9.571 1.00 41.23 H new ATOM 1149 N ILE A 76 -1.438 17.381 8.468 1.00 73.14 N ATOM 1150 CA ILE A 76 -0.856 18.716 8.516 1.00 11.34 C ATOM 1151 C ILE A 76 -1.882 19.747 8.975 1.00 31.23 C ATOM 1152 O ILE A 76 -2.736 20.178 8.199 1.00 61.41 O ATOM 1153 CB ILE A 76 -0.300 19.138 7.144 1.00 41.43 C ATOM 1154 CG1 ILE A 76 0.604 18.042 6.576 1.00 1.13 C ATOM 1155 CG2 ILE A 76 0.460 20.451 7.261 1.00 1.11 C ATOM 1156 CD1 ILE A 76 0.066 17.409 5.312 1.00 12.13 C ATOM 0 H ILE A 76 -2.075 17.227 7.687 1.00 73.14 H new ATOM 0 HA ILE A 76 -0.037 18.677 9.234 1.00 11.34 H new ATOM 0 HB ILE A 76 -1.136 19.284 6.460 1.00 41.43 H new ATOM 0 HG12 ILE A 76 1.588 18.464 6.371 1.00 1.13 H new ATOM 0 HG13 ILE A 76 0.740 17.268 7.331 1.00 1.13 H new ATOM 0 HG21 ILE A 76 0.847 20.736 6.283 1.00 1.11 H new ATOM 0 HG22 ILE A 76 -0.211 21.228 7.626 1.00 1.11 H new ATOM 0 HG23 ILE A 76 1.289 20.331 7.958 1.00 1.11 H new ATOM 0 HD11 ILE A 76 0.758 16.641 4.966 1.00 12.13 H new ATOM 0 HD12 ILE A 76 -0.905 16.957 5.516 1.00 12.13 H new ATOM 0 HD13 ILE A 76 -0.044 18.172 4.541 1.00 12.13 H new ATOM 1168 N LEU A 77 -1.792 20.140 10.241 1.00 31.21 N ATOM 1169 CA LEU A 77 -2.712 21.122 10.804 1.00 4.44 C ATOM 1170 C LEU A 77 -2.142 22.532 10.685 1.00 0.32 C ATOM 1171 O LEU A 77 -1.546 23.054 11.628 1.00 52.33 O ATOM 1172 CB LEU A 77 -2.999 20.799 12.271 1.00 32.55 C ATOM 1173 CG LEU A 77 -4.289 20.026 12.548 1.00 75.12 C ATOM 1174 CD1 LEU A 77 -4.114 19.104 13.744 1.00 25.42 C ATOM 1175 CD2 LEU A 77 -5.447 20.986 12.778 1.00 12.21 C ATOM 0 H LEU A 77 -1.092 19.794 10.897 1.00 31.21 H new ATOM 0 HA LEU A 77 -3.643 21.077 10.239 1.00 4.44 H new ATOM 0 HB2 LEU A 77 -2.162 20.223 12.666 1.00 32.55 H new ATOM 0 HB3 LEU A 77 -3.033 21.735 12.828 1.00 32.55 H new ATOM 0 HG LEU A 77 -4.517 19.415 11.675 1.00 75.12 H new ATOM 0 HD11 LEU A 77 -5.043 18.563 13.925 1.00 25.42 H new ATOM 0 HD12 LEU A 77 -3.313 18.393 13.541 1.00 25.42 H new ATOM 0 HD13 LEU A 77 -3.860 19.694 14.625 1.00 25.42 H new ATOM 0 HD21 LEU A 77 -6.357 20.418 12.974 1.00 12.21 H new ATOM 0 HD22 LEU A 77 -5.226 21.624 13.634 1.00 12.21 H new ATOM 0 HD23 LEU A 77 -5.589 21.604 11.892 1.00 12.21 H new ATOM 1187 N VAL A 78 -2.331 23.145 9.521 1.00 61.02 N ATOM 1188 CA VAL A 78 -1.839 24.496 9.279 1.00 10.01 C ATOM 1189 C VAL A 78 -2.928 25.532 9.536 1.00 21.44 C ATOM 1190 O VAL A 78 -4.082 25.341 9.155 1.00 1.41 O ATOM 1191 CB VAL A 78 -1.324 24.656 7.836 1.00 13.22 C ATOM 1192 CG1 VAL A 78 -0.849 26.081 7.594 1.00 75.35 C ATOM 1193 CG2 VAL A 78 -0.211 23.659 7.555 1.00 64.05 C ATOM 0 H VAL A 78 -2.822 22.727 8.730 1.00 61.02 H new ATOM 0 HA VAL A 78 -1.014 24.661 9.972 1.00 10.01 H new ATOM 0 HB VAL A 78 -2.146 24.451 7.150 1.00 13.22 H new ATOM 0 HG11 VAL A 78 -0.489 26.175 6.570 1.00 75.35 H new ATOM 0 HG12 VAL A 78 -1.677 26.772 7.753 1.00 75.35 H new ATOM 0 HG13 VAL A 78 -0.041 26.318 8.286 1.00 75.35 H new ATOM 0 HG21 VAL A 78 0.141 23.786 6.531 1.00 64.05 H new ATOM 0 HG22 VAL A 78 0.614 23.830 8.246 1.00 64.05 H new ATOM 0 HG23 VAL A 78 -0.589 22.645 7.686 1.00 64.05 H new ATOM 1203 N ASN A 79 -2.552 26.629 10.186 1.00 60.51 N ATOM 1204 CA ASN A 79 -3.497 27.696 10.495 1.00 60.52 C ATOM 1205 C ASN A 79 -4.141 28.237 9.222 1.00 5.51 C ATOM 1206 O ASN A 79 -5.315 28.603 9.215 1.00 73.41 O ATOM 1207 CB ASN A 79 -2.793 28.828 11.245 1.00 24.54 C ATOM 1208 CG ASN A 79 -2.873 28.661 12.751 1.00 52.15 C ATOM 1209 OD1 ASN A 79 -1.860 28.450 13.418 1.00 55.10 O ATOM 1210 ND2 ASN A 79 -4.082 28.755 13.292 1.00 0.42 N ATOM 0 H ASN A 79 -1.600 26.802 10.509 1.00 60.51 H new ATOM 0 HA ASN A 79 -4.280 27.282 11.130 1.00 60.52 H new ATOM 0 HB2 ASN A 79 -1.747 28.866 10.941 1.00 24.54 H new ATOM 0 HB3 ASN A 79 -3.241 29.781 10.963 1.00 24.54 H new ATOM 0 HD21 ASN A 79 -4.199 28.651 14.300 1.00 0.42 H new ATOM 0 HD22 ASN A 79 -4.894 28.931 12.700 1.00 0.42 H new ATOM 1217 N GLY A 80 -3.361 28.286 8.146 1.00 54.04 N ATOM 1218 CA GLY A 80 -3.872 28.784 6.882 1.00 74.11 C ATOM 1219 C GLY A 80 -2.968 28.440 5.715 1.00 2.50 C ATOM 1220 O GLY A 80 -1.895 29.022 5.561 1.00 44.52 O ATOM 0 H GLY A 80 -2.385 27.990 8.127 1.00 54.04 H new ATOM 0 HA2 GLY A 80 -4.863 28.367 6.705 1.00 74.11 H new ATOM 0 HA3 GLY A 80 -3.987 29.866 6.941 1.00 74.11 H new ATOM 1224 N ALA A 81 -3.401 27.491 4.892 1.00 0.10 N ATOM 1225 CA ALA A 81 -2.623 27.071 3.733 1.00 2.23 C ATOM 1226 C ALA A 81 -3.402 27.289 2.441 1.00 60.44 C ATOM 1227 O ALA A 81 -4.557 27.713 2.466 1.00 44.32 O ATOM 1228 CB ALA A 81 -2.220 25.610 3.869 1.00 4.44 C ATOM 0 H ALA A 81 -4.287 26.998 5.006 1.00 0.10 H new ATOM 0 HA ALA A 81 -1.722 27.682 3.690 1.00 2.23 H new ATOM 0 HB1 ALA A 81 -1.640 25.310 2.997 1.00 4.44 H new ATOM 0 HB2 ALA A 81 -1.617 25.481 4.768 1.00 4.44 H new ATOM 0 HB3 ALA A 81 -3.114 24.991 3.940 1.00 4.44 H new ATOM 1234 N GLU A 82 -2.762 26.995 1.313 1.00 52.32 N ATOM 1235 CA GLU A 82 -3.397 27.161 0.010 1.00 25.13 C ATOM 1236 C GLU A 82 -2.638 26.390 -1.066 1.00 43.33 C ATOM 1237 O GLU A 82 -1.422 26.215 -0.979 1.00 52.51 O ATOM 1238 CB GLU A 82 -3.468 28.643 -0.362 1.00 45.34 C ATOM 1239 CG GLU A 82 -2.112 29.262 -0.660 1.00 61.41 C ATOM 1240 CD GLU A 82 -2.205 30.737 -0.997 1.00 11.22 C ATOM 1241 OE1 GLU A 82 -3.312 31.199 -1.343 1.00 35.32 O ATOM 1242 OE2 GLU A 82 -1.170 31.430 -0.914 1.00 5.53 O ATOM 0 H GLU A 82 -1.806 26.641 1.275 1.00 52.32 H new ATOM 0 HA GLU A 82 -4.409 26.761 0.073 1.00 25.13 H new ATOM 0 HB2 GLU A 82 -4.111 28.759 -1.235 1.00 45.34 H new ATOM 0 HB3 GLU A 82 -3.937 29.192 0.455 1.00 45.34 H new ATOM 0 HG2 GLU A 82 -1.459 29.131 0.203 1.00 61.41 H new ATOM 0 HG3 GLU A 82 -1.650 28.731 -1.492 1.00 61.41 H new ATOM 1249 N ARG A 83 -3.364 25.932 -2.080 1.00 71.42 N ATOM 1250 CA ARG A 83 -2.761 25.178 -3.173 1.00 2.21 C ATOM 1251 C ARG A 83 -2.407 26.099 -4.337 1.00 61.55 C ATOM 1252 O ARG A 83 -3.212 26.931 -4.751 1.00 15.42 O ATOM 1253 CB ARG A 83 -3.712 24.079 -3.649 1.00 31.32 C ATOM 1254 CG ARG A 83 -3.141 22.677 -3.511 1.00 5.13 C ATOM 1255 CD ARG A 83 -3.147 21.939 -4.840 1.00 42.44 C ATOM 1256 NE ARG A 83 -4.499 21.589 -5.266 1.00 33.14 N ATOM 1257 CZ ARG A 83 -5.219 20.623 -4.705 1.00 2.21 C ATOM 1258 NH1 ARG A 83 -4.718 19.916 -3.702 1.00 2.05 N ATOM 1259 NH2 ARG A 83 -6.442 20.364 -5.148 1.00 35.44 N ATOM 0 H ARG A 83 -4.371 26.070 -2.168 1.00 71.42 H new ATOM 0 HA ARG A 83 -1.844 24.719 -2.803 1.00 2.21 H new ATOM 0 HB2 ARG A 83 -4.640 24.142 -3.080 1.00 31.32 H new ATOM 0 HB3 ARG A 83 -3.966 24.257 -4.694 1.00 31.32 H new ATOM 0 HG2 ARG A 83 -2.121 22.734 -3.130 1.00 5.13 H new ATOM 0 HG3 ARG A 83 -3.723 22.116 -2.780 1.00 5.13 H new ATOM 0 HD2 ARG A 83 -2.677 22.561 -5.602 1.00 42.44 H new ATOM 0 HD3 ARG A 83 -2.548 21.032 -4.754 1.00 42.44 H new ATOM 0 HE ARG A 83 -4.913 22.114 -6.036 1.00 33.14 H new ATOM 0 HH11 ARG A 83 -3.778 20.113 -3.359 1.00 2.05 H new ATOM 0 HH12 ARG A 83 -5.273 19.175 -3.273 1.00 2.05 H new ATOM 0 HH21 ARG A 83 -6.830 20.906 -5.920 1.00 35.44 H new ATOM 0 HH22 ARG A 83 -6.994 19.622 -4.717 1.00 35.44 H new ATOM 1273 N GLY A 84 -1.195 25.942 -4.862 1.00 72.21 N ATOM 1274 CA GLY A 84 -0.756 26.765 -5.973 1.00 44.51 C ATOM 1275 C GLY A 84 -1.651 26.626 -7.188 1.00 60.22 C ATOM 1276 O GLY A 84 -1.653 27.487 -8.068 1.00 73.22 O ATOM 0 H GLY A 84 -0.510 25.260 -4.537 1.00 72.21 H new ATOM 0 HA2 GLY A 84 -0.733 27.809 -5.661 1.00 44.51 H new ATOM 0 HA3 GLY A 84 0.264 26.490 -6.244 1.00 44.51 H new ATOM 1280 N ASP A 85 -2.412 25.538 -7.238 1.00 51.23 N ATOM 1281 CA ASP A 85 -3.316 25.288 -8.355 1.00 43.12 C ATOM 1282 C ASP A 85 -4.648 26.001 -8.146 1.00 51.14 C ATOM 1283 O ASP A 85 -5.218 26.563 -9.083 1.00 30.24 O ATOM 1284 CB ASP A 85 -3.548 23.786 -8.525 1.00 20.14 C ATOM 1285 CG ASP A 85 -3.539 23.359 -9.979 1.00 65.02 C ATOM 1286 OD1 ASP A 85 -2.498 23.543 -10.645 1.00 51.23 O ATOM 1287 OD2 ASP A 85 -4.571 22.840 -10.451 1.00 73.24 O ATOM 0 H ASP A 85 -2.421 24.815 -6.518 1.00 51.23 H new ATOM 0 HA ASP A 85 -2.853 25.680 -9.260 1.00 43.12 H new ATOM 0 HB2 ASP A 85 -2.776 23.239 -7.984 1.00 20.14 H new ATOM 0 HB3 ASP A 85 -4.504 23.516 -8.076 1.00 20.14 H new ATOM 1292 N THR A 86 -5.141 25.974 -6.912 1.00 50.00 N ATOM 1293 CA THR A 86 -6.407 26.615 -6.580 1.00 51.34 C ATOM 1294 C THR A 86 -6.308 28.130 -6.716 1.00 53.35 C ATOM 1295 O THR A 86 -7.305 28.806 -6.974 1.00 60.15 O ATOM 1296 CB THR A 86 -6.854 26.268 -5.148 1.00 35.00 C ATOM 1297 OG1 THR A 86 -5.767 26.457 -4.236 1.00 21.33 O ATOM 1298 CG2 THR A 86 -7.346 24.831 -5.068 1.00 74.32 C ATOM 0 H THR A 86 -4.682 25.515 -6.125 1.00 50.00 H new ATOM 0 HA THR A 86 -7.147 26.237 -7.285 1.00 51.34 H new ATOM 0 HB THR A 86 -7.675 26.932 -4.876 1.00 35.00 H new ATOM 0 HG1 THR A 86 -5.009 26.859 -4.709 1.00 21.33 H new ATOM 0 HG21 THR A 86 -7.656 24.609 -4.047 1.00 74.32 H new ATOM 0 HG22 THR A 86 -8.193 24.698 -5.742 1.00 74.32 H new ATOM 0 HG23 THR A 86 -6.542 24.154 -5.358 1.00 74.32 H new ATOM 1306 N ILE A 87 -5.101 28.658 -6.542 1.00 73.22 N ATOM 1307 CA ILE A 87 -4.873 30.094 -6.648 1.00 32.43 C ATOM 1308 C ILE A 87 -3.801 30.405 -7.686 1.00 5.02 C ATOM 1309 O ILE A 87 -2.659 29.959 -7.567 1.00 73.33 O ATOM 1310 CB ILE A 87 -4.453 30.698 -5.295 1.00 31.22 C ATOM 1311 CG1 ILE A 87 -3.327 29.872 -4.670 1.00 65.25 C ATOM 1312 CG2 ILE A 87 -5.647 30.772 -4.354 1.00 63.13 C ATOM 1313 CD1 ILE A 87 -2.172 30.709 -4.166 1.00 21.32 C ATOM 0 H ILE A 87 -4.266 28.113 -6.327 1.00 73.22 H new ATOM 0 HA ILE A 87 -5.817 30.542 -6.959 1.00 32.43 H new ATOM 0 HB ILE A 87 -4.085 31.710 -5.465 1.00 31.22 H new ATOM 0 HG12 ILE A 87 -3.731 29.289 -3.842 1.00 65.25 H new ATOM 0 HG13 ILE A 87 -2.955 29.162 -5.409 1.00 65.25 H new ATOM 0 HG21 ILE A 87 -5.334 31.201 -3.402 1.00 63.13 H new ATOM 0 HG22 ILE A 87 -6.421 31.398 -4.797 1.00 63.13 H new ATOM 0 HG23 ILE A 87 -6.042 29.770 -4.188 1.00 63.13 H new ATOM 0 HD11 ILE A 87 -1.411 30.058 -3.736 1.00 21.32 H new ATOM 0 HD12 ILE A 87 -1.742 31.272 -4.994 1.00 21.32 H new ATOM 0 HD13 ILE A 87 -2.530 31.401 -3.404 1.00 21.32 H new ATOM 1325 N ASP A 88 -4.174 31.175 -8.702 1.00 33.21 N ATOM 1326 CA ASP A 88 -3.244 31.549 -9.760 1.00 44.23 C ATOM 1327 C ASP A 88 -1.966 32.143 -9.175 1.00 51.34 C ATOM 1328 O ASP A 88 -1.928 32.587 -8.028 1.00 5.23 O ATOM 1329 CB ASP A 88 -3.897 32.551 -10.713 1.00 15.52 C ATOM 1330 CG ASP A 88 -4.555 31.877 -11.901 1.00 11.14 C ATOM 1331 OD1 ASP A 88 -3.858 31.640 -12.909 1.00 24.44 O ATOM 1332 OD2 ASP A 88 -5.768 31.587 -11.823 1.00 4.54 O ATOM 0 H ASP A 88 -5.115 31.552 -8.815 1.00 33.21 H new ATOM 0 HA ASP A 88 -2.984 30.648 -10.316 1.00 44.23 H new ATOM 0 HB2 ASP A 88 -4.643 33.132 -10.170 1.00 15.52 H new ATOM 0 HB3 ASP A 88 -3.143 33.253 -11.069 1.00 15.52 H new ATOM 1337 N PRO A 89 -0.894 32.152 -9.981 1.00 70.15 N ATOM 1338 CA PRO A 89 0.405 32.688 -9.565 1.00 42.11 C ATOM 1339 C PRO A 89 0.385 34.205 -9.414 1.00 14.41 C ATOM 1340 O PRO A 89 1.270 34.787 -8.788 1.00 42.20 O ATOM 1341 CB PRO A 89 1.340 32.277 -10.705 1.00 5.00 C ATOM 1342 CG PRO A 89 0.451 32.131 -11.891 1.00 52.40 C ATOM 1343 CD PRO A 89 -0.868 31.639 -11.362 1.00 2.33 C ATOM 0 HA PRO A 89 0.708 32.309 -8.589 1.00 42.11 H new ATOM 0 HB2 PRO A 89 2.109 33.030 -10.877 1.00 5.00 H new ATOM 0 HB3 PRO A 89 1.854 31.343 -10.478 1.00 5.00 H new ATOM 0 HG2 PRO A 89 0.333 33.082 -12.410 1.00 52.40 H new ATOM 0 HG3 PRO A 89 0.871 31.426 -12.609 1.00 52.40 H new ATOM 0 HD2 PRO A 89 -1.704 32.021 -11.948 1.00 2.33 H new ATOM 0 HD3 PRO A 89 -0.931 30.551 -11.388 1.00 2.33 H new ATOM 1351 N GLN A 90 -0.631 34.839 -9.990 1.00 54.24 N ATOM 1352 CA GLN A 90 -0.766 36.289 -9.919 1.00 41.31 C ATOM 1353 C GLN A 90 -1.128 36.734 -8.506 1.00 20.43 C ATOM 1354 O GLN A 90 -0.821 37.854 -8.100 1.00 54.01 O ATOM 1355 CB GLN A 90 -1.829 36.773 -10.907 1.00 10.34 C ATOM 1356 CG GLN A 90 -1.409 38.001 -11.699 1.00 73.43 C ATOM 1357 CD GLN A 90 -0.760 37.647 -13.022 1.00 65.35 C ATOM 1358 OE1 GLN A 90 0.159 36.828 -13.077 1.00 11.40 O ATOM 1359 NE2 GLN A 90 -1.234 38.263 -14.099 1.00 31.21 N ATOM 0 H GLN A 90 -1.373 34.371 -10.511 1.00 54.24 H new ATOM 0 HA GLN A 90 0.194 36.731 -10.184 1.00 41.31 H new ATOM 0 HB2 GLN A 90 -2.063 35.966 -11.601 1.00 10.34 H new ATOM 0 HB3 GLN A 90 -2.745 36.999 -10.361 1.00 10.34 H new ATOM 0 HG2 GLN A 90 -2.283 38.627 -11.883 1.00 73.43 H new ATOM 0 HG3 GLN A 90 -0.713 38.592 -11.104 1.00 73.43 H new ATOM 0 HE21 GLN A 90 -1.996 38.935 -14.008 1.00 31.21 H new ATOM 0 HE22 GLN A 90 -0.836 38.065 -15.017 1.00 31.21 H new ATOM 1368 N GLU A 91 -1.782 35.847 -7.761 1.00 53.44 N ATOM 1369 CA GLU A 91 -2.187 36.150 -6.394 1.00 2.14 C ATOM 1370 C GLU A 91 -0.981 36.536 -5.542 1.00 63.02 C ATOM 1371 O GLU A 91 -1.096 37.324 -4.604 1.00 54.12 O ATOM 1372 CB GLU A 91 -2.900 34.948 -5.771 1.00 75.04 C ATOM 1373 CG GLU A 91 -1.964 33.811 -5.397 1.00 13.31 C ATOM 1374 CD GLU A 91 -1.546 33.856 -3.940 1.00 33.20 C ATOM 1375 OE1 GLU A 91 -2.438 33.886 -3.067 1.00 13.22 O ATOM 1376 OE2 GLU A 91 -0.326 33.860 -3.673 1.00 71.04 O ATOM 0 H GLU A 91 -2.042 34.914 -8.081 1.00 53.44 H new ATOM 0 HA GLU A 91 -2.874 36.995 -6.425 1.00 2.14 H new ATOM 0 HB2 GLU A 91 -3.434 35.276 -4.879 1.00 75.04 H new ATOM 0 HB3 GLU A 91 -3.647 34.576 -6.472 1.00 75.04 H new ATOM 0 HG2 GLU A 91 -2.454 32.859 -5.601 1.00 13.31 H new ATOM 0 HG3 GLU A 91 -1.076 33.854 -6.028 1.00 13.31 H new ATOM 1383 N ALA A 92 0.176 35.974 -5.877 1.00 23.15 N ATOM 1384 CA ALA A 92 1.404 36.260 -5.145 1.00 20.54 C ATOM 1385 C ALA A 92 1.706 37.754 -5.141 1.00 40.32 C ATOM 1386 O ALA A 92 1.908 38.353 -4.085 1.00 74.11 O ATOM 1387 CB ALA A 92 2.568 35.485 -5.745 1.00 4.35 C ATOM 0 H ALA A 92 0.289 35.318 -6.650 1.00 23.15 H new ATOM 0 HA ALA A 92 1.264 35.942 -4.112 1.00 20.54 H new ATOM 0 HB1 ALA A 92 3.479 35.708 -5.189 1.00 4.35 H new ATOM 0 HB2 ALA A 92 2.361 34.416 -5.689 1.00 4.35 H new ATOM 0 HB3 ALA A 92 2.699 35.775 -6.787 1.00 4.35 H new ATOM 1393 N GLN A 93 1.736 38.350 -6.329 1.00 22.10 N ATOM 1394 CA GLN A 93 2.015 39.775 -6.462 1.00 23.15 C ATOM 1395 C GLN A 93 0.950 40.606 -5.755 1.00 12.30 C ATOM 1396 O GLN A 93 1.260 41.601 -5.100 1.00 55.22 O ATOM 1397 CB GLN A 93 2.089 40.167 -7.938 1.00 75.44 C ATOM 1398 CG GLN A 93 2.972 41.375 -8.204 1.00 54.03 C ATOM 1399 CD GLN A 93 3.012 41.757 -9.671 1.00 20.02 C ATOM 1400 OE1 GLN A 93 2.050 42.308 -10.207 1.00 45.14 O ATOM 1401 NE2 GLN A 93 4.128 41.466 -10.328 1.00 64.41 N ATOM 0 H GLN A 93 1.571 37.868 -7.213 1.00 22.10 H new ATOM 0 HA GLN A 93 2.978 39.976 -5.992 1.00 23.15 H new ATOM 0 HB2 GLN A 93 2.465 39.320 -8.512 1.00 75.44 H new ATOM 0 HB3 GLN A 93 1.083 40.376 -8.300 1.00 75.44 H new ATOM 0 HG2 GLN A 93 2.608 42.222 -7.622 1.00 54.03 H new ATOM 0 HG3 GLN A 93 3.984 41.163 -7.860 1.00 54.03 H new ATOM 0 HE21 GLN A 93 4.901 41.009 -9.844 1.00 64.41 H new ATOM 0 HE22 GLN A 93 4.213 41.700 -11.317 1.00 64.41 H new ATOM 1410 N GLN A 94 -0.305 40.192 -5.893 1.00 34.50 N ATOM 1411 CA GLN A 94 -1.416 40.900 -5.268 1.00 74.43 C ATOM 1412 C GLN A 94 -1.278 40.897 -3.749 1.00 52.54 C ATOM 1413 O GLN A 94 -1.470 41.923 -3.096 1.00 11.51 O ATOM 1414 CB GLN A 94 -2.747 40.262 -5.672 1.00 22.40 C ATOM 1415 CG GLN A 94 -3.602 41.150 -6.561 1.00 34.31 C ATOM 1416 CD GLN A 94 -3.743 40.605 -7.969 1.00 25.44 C ATOM 1417 OE1 GLN A 94 -4.843 40.276 -8.413 1.00 11.51 O ATOM 1418 NE2 GLN A 94 -2.625 40.505 -8.679 1.00 52.22 N ATOM 0 H GLN A 94 -0.578 39.370 -6.432 1.00 34.50 H new ATOM 0 HA GLN A 94 -1.396 41.933 -5.614 1.00 74.43 H new ATOM 0 HB2 GLN A 94 -2.548 39.325 -6.192 1.00 22.40 H new ATOM 0 HB3 GLN A 94 -3.309 40.014 -4.772 1.00 22.40 H new ATOM 0 HG2 GLN A 94 -4.591 41.257 -6.116 1.00 34.31 H new ATOM 0 HG3 GLN A 94 -3.162 42.146 -6.604 1.00 34.31 H new ATOM 0 HE21 GLN A 94 -1.735 40.790 -8.271 1.00 52.22 H new ATOM 0 HE22 GLN A 94 -2.657 40.144 -9.632 1.00 52.22 H new ATOM 1427 N THR A 95 -0.944 39.738 -3.192 1.00 30.40 N ATOM 1428 CA THR A 95 -0.782 39.601 -1.750 1.00 44.31 C ATOM 1429 C THR A 95 0.302 40.538 -1.228 1.00 31.21 C ATOM 1430 O THR A 95 0.183 41.094 -0.135 1.00 72.41 O ATOM 1431 CB THR A 95 -0.426 38.154 -1.359 1.00 42.52 C ATOM 1432 OG1 THR A 95 -1.460 37.262 -1.789 1.00 14.55 O ATOM 1433 CG2 THR A 95 -0.235 38.032 0.145 1.00 33.31 C ATOM 0 H THR A 95 -0.780 38.880 -3.718 1.00 30.40 H new ATOM 0 HA THR A 95 -1.738 39.866 -1.298 1.00 44.31 H new ATOM 0 HB THR A 95 0.510 37.887 -1.850 1.00 42.52 H new ATOM 0 HG1 THR A 95 -1.446 37.192 -2.766 1.00 14.55 H new ATOM 0 HG21 THR A 95 0.016 37.002 0.398 1.00 33.31 H new ATOM 0 HG22 THR A 95 0.573 38.691 0.464 1.00 33.31 H new ATOM 0 HG23 THR A 95 -1.157 38.316 0.653 1.00 33.31 H new ATOM 1441 N LEU A 96 1.358 40.709 -2.015 1.00 4.53 N ATOM 1442 CA LEU A 96 2.464 41.581 -1.632 1.00 21.43 C ATOM 1443 C LEU A 96 2.028 43.042 -1.621 1.00 55.11 C ATOM 1444 O LEU A 96 2.477 43.828 -0.788 1.00 23.54 O ATOM 1445 CB LEU A 96 3.641 41.395 -2.591 1.00 2.01 C ATOM 1446 CG LEU A 96 4.956 40.936 -1.959 1.00 72.21 C ATOM 1447 CD1 LEU A 96 5.984 40.623 -3.035 1.00 22.42 C ATOM 1448 CD2 LEU A 96 5.487 41.994 -1.003 1.00 54.33 C ATOM 0 H LEU A 96 1.472 40.256 -2.922 1.00 4.53 H new ATOM 0 HA LEU A 96 2.777 41.308 -0.624 1.00 21.43 H new ATOM 0 HB2 LEU A 96 3.353 40.668 -3.351 1.00 2.01 H new ATOM 0 HB3 LEU A 96 3.818 42.340 -3.104 1.00 2.01 H new ATOM 0 HG LEU A 96 4.765 40.025 -1.391 1.00 72.21 H new ATOM 0 HD11 LEU A 96 6.913 40.298 -2.567 1.00 22.42 H new ATOM 0 HD12 LEU A 96 5.606 39.830 -3.680 1.00 22.42 H new ATOM 0 HD13 LEU A 96 6.171 41.517 -3.631 1.00 22.42 H new ATOM 0 HD21 LEU A 96 6.423 41.650 -0.563 1.00 54.33 H new ATOM 0 HD22 LEU A 96 5.662 42.922 -1.548 1.00 54.33 H new ATOM 0 HD23 LEU A 96 4.757 42.169 -0.213 1.00 54.33 H new ATOM 1460 N GLU A 97 1.147 43.398 -2.551 1.00 41.24 N ATOM 1461 CA GLU A 97 0.649 44.765 -2.647 1.00 41.33 C ATOM 1462 C GLU A 97 -0.267 45.094 -1.472 1.00 3.42 C ATOM 1463 O GLU A 97 -0.083 46.105 -0.793 1.00 31.15 O ATOM 1464 CB GLU A 97 -0.102 44.967 -3.965 1.00 60.21 C ATOM 1465 CG GLU A 97 0.773 45.494 -5.090 1.00 21.20 C ATOM 1466 CD GLU A 97 1.368 46.854 -4.778 1.00 74.55 C ATOM 1467 OE1 GLU A 97 0.623 47.728 -4.288 1.00 33.32 O ATOM 1468 OE2 GLU A 97 2.577 47.044 -5.025 1.00 73.34 O ATOM 0 H GLU A 97 0.764 42.759 -3.248 1.00 41.24 H new ATOM 0 HA GLU A 97 1.505 45.439 -2.618 1.00 41.33 H new ATOM 0 HB2 GLU A 97 -0.541 44.018 -4.272 1.00 60.21 H new ATOM 0 HB3 GLU A 97 -0.926 45.662 -3.801 1.00 60.21 H new ATOM 0 HG2 GLU A 97 1.578 44.785 -5.282 1.00 21.20 H new ATOM 0 HG3 GLU A 97 0.183 45.561 -6.004 1.00 21.20 H new ATOM 1475 N ILE A 98 -1.253 44.235 -1.239 1.00 62.20 N ATOM 1476 CA ILE A 98 -2.197 44.434 -0.146 1.00 64.52 C ATOM 1477 C ILE A 98 -1.479 44.475 1.199 1.00 54.21 C ATOM 1478 O ILE A 98 -1.844 45.248 2.085 1.00 74.44 O ATOM 1479 CB ILE A 98 -3.262 43.322 -0.113 1.00 62.41 C ATOM 1480 CG1 ILE A 98 -4.218 43.536 1.062 1.00 23.22 C ATOM 1481 CG2 ILE A 98 -2.599 41.955 -0.021 1.00 44.53 C ATOM 1482 CD1 ILE A 98 -5.310 42.493 1.151 1.00 63.22 C ATOM 0 H ILE A 98 -1.419 43.394 -1.792 1.00 62.20 H new ATOM 0 HA ILE A 98 -2.688 45.391 -0.323 1.00 64.52 H new ATOM 0 HB ILE A 98 -3.837 43.363 -1.038 1.00 62.41 H new ATOM 0 HG12 ILE A 98 -3.646 43.532 1.990 1.00 23.22 H new ATOM 0 HG13 ILE A 98 -4.675 44.522 0.973 1.00 23.22 H new ATOM 0 HG21 ILE A 98 -3.365 41.180 0.001 1.00 44.53 H new ATOM 0 HG22 ILE A 98 -1.955 41.804 -0.887 1.00 44.53 H new ATOM 0 HG23 ILE A 98 -2.001 41.901 0.889 1.00 44.53 H new ATOM 0 HD11 ILE A 98 -5.950 42.708 2.007 1.00 63.22 H new ATOM 0 HD12 ILE A 98 -5.906 42.512 0.239 1.00 63.22 H new ATOM 0 HD13 ILE A 98 -4.862 41.507 1.271 1.00 63.22 H new ATOM 1494 N ALA A 99 -0.456 43.640 1.344 1.00 42.14 N ATOM 1495 CA ALA A 99 0.316 43.584 2.579 1.00 14.10 C ATOM 1496 C ALA A 99 1.018 44.910 2.848 1.00 2.51 C ATOM 1497 O ALA A 99 1.032 45.397 3.978 1.00 2.22 O ATOM 1498 CB ALA A 99 1.329 42.451 2.518 1.00 70.24 C ATOM 0 H ALA A 99 -0.142 42.992 0.621 1.00 42.14 H new ATOM 0 HA ALA A 99 -0.374 43.395 3.401 1.00 14.10 H new ATOM 0 HB1 ALA A 99 1.898 42.421 3.447 1.00 70.24 H new ATOM 0 HB2 ALA A 99 0.807 41.504 2.382 1.00 70.24 H new ATOM 0 HB3 ALA A 99 2.008 42.615 1.681 1.00 70.24 H new ATOM 1504 N GLU A 100 1.601 45.489 1.803 1.00 54.34 N ATOM 1505 CA GLU A 100 2.306 46.759 1.928 1.00 4.13 C ATOM 1506 C GLU A 100 1.326 47.906 2.161 1.00 64.45 C ATOM 1507 O GLU A 100 1.483 48.691 3.095 1.00 25.30 O ATOM 1508 CB GLU A 100 3.139 47.032 0.674 1.00 60.52 C ATOM 1509 CG GLU A 100 4.447 47.751 0.956 1.00 24.31 C ATOM 1510 CD GLU A 100 5.463 47.572 -0.156 1.00 12.31 C ATOM 1511 OE1 GLU A 100 5.401 46.539 -0.855 1.00 12.12 O ATOM 1512 OE2 GLU A 100 6.319 48.465 -0.327 1.00 61.10 O ATOM 0 H GLU A 100 1.599 45.099 0.861 1.00 54.34 H new ATOM 0 HA GLU A 100 2.971 46.692 2.789 1.00 4.13 H new ATOM 0 HB2 GLU A 100 3.354 46.086 0.178 1.00 60.52 H new ATOM 0 HB3 GLU A 100 2.549 47.629 -0.021 1.00 60.52 H new ATOM 0 HG2 GLU A 100 4.250 48.814 1.096 1.00 24.31 H new ATOM 0 HG3 GLU A 100 4.867 47.379 1.890 1.00 24.31 H new ATOM 1519 N ALA A 101 0.315 47.995 1.303 1.00 64.05 N ATOM 1520 CA ALA A 101 -0.691 49.044 1.414 1.00 21.52 C ATOM 1521 C ALA A 101 -1.382 48.999 2.773 1.00 61.21 C ATOM 1522 O ALA A 101 -1.653 50.036 3.376 1.00 55.11 O ATOM 1523 CB ALA A 101 -1.714 48.915 0.295 1.00 22.32 C ATOM 0 H ALA A 101 0.171 47.353 0.523 1.00 64.05 H new ATOM 0 HA ALA A 101 -0.188 50.007 1.322 1.00 21.52 H new ATOM 0 HB1 ALA A 101 -2.459 49.705 0.390 1.00 22.32 H new ATOM 0 HB2 ALA A 101 -1.212 49.004 -0.669 1.00 22.32 H new ATOM 0 HB3 ALA A 101 -2.204 47.944 0.360 1.00 22.32 H new ATOM 1529 N ASN A 102 -1.664 47.790 3.249 1.00 51.35 N ATOM 1530 CA ASN A 102 -2.325 47.611 4.536 1.00 31.11 C ATOM 1531 C ASN A 102 -1.362 47.893 5.686 1.00 74.43 C ATOM 1532 O ASN A 102 -1.719 48.557 6.660 1.00 63.02 O ATOM 1533 CB ASN A 102 -2.878 46.189 4.656 1.00 44.14 C ATOM 1534 CG ASN A 102 -3.514 45.928 6.007 1.00 72.20 C ATOM 1535 OD1 ASN A 102 -3.870 46.860 6.729 1.00 65.32 O ATOM 1536 ND2 ASN A 102 -3.661 44.655 6.356 1.00 62.25 N ATOM 0 H ASN A 102 -1.445 46.921 2.763 1.00 51.35 H new ATOM 0 HA ASN A 102 -3.150 48.321 4.594 1.00 31.11 H new ATOM 0 HB2 ASN A 102 -3.616 46.022 3.872 1.00 44.14 H new ATOM 0 HB3 ASN A 102 -2.072 45.474 4.493 1.00 44.14 H new ATOM 0 HD21 ASN A 102 -4.083 44.418 7.254 1.00 62.25 H new ATOM 0 HD22 ASN A 102 -3.352 43.915 5.726 1.00 62.25 H new ATOM 1543 N LEU A 103 -0.141 47.384 5.565 1.00 33.34 N ATOM 1544 CA LEU A 103 0.874 47.581 6.594 1.00 64.30 C ATOM 1545 C LEU A 103 1.096 49.066 6.863 1.00 64.33 C ATOM 1546 O LEU A 103 1.500 49.455 7.959 1.00 61.33 O ATOM 1547 CB LEU A 103 2.190 46.925 6.171 1.00 22.14 C ATOM 1548 CG LEU A 103 3.418 47.283 7.010 1.00 70.33 C ATOM 1549 CD1 LEU A 103 3.298 46.699 8.409 1.00 75.02 C ATOM 1550 CD2 LEU A 103 4.688 46.790 6.332 1.00 44.31 C ATOM 0 H LEU A 103 0.170 46.832 4.765 1.00 33.34 H new ATOM 0 HA LEU A 103 0.521 47.114 7.513 1.00 64.30 H new ATOM 0 HB2 LEU A 103 2.059 45.843 6.198 1.00 22.14 H new ATOM 0 HB3 LEU A 103 2.391 47.196 5.135 1.00 22.14 H new ATOM 0 HG LEU A 103 3.472 48.368 7.095 1.00 70.33 H new ATOM 0 HD11 LEU A 103 4.181 46.964 8.991 1.00 75.02 H new ATOM 0 HD12 LEU A 103 2.409 47.100 8.896 1.00 75.02 H new ATOM 0 HD13 LEU A 103 3.218 45.614 8.345 1.00 75.02 H new ATOM 0 HD21 LEU A 103 5.552 47.053 6.942 1.00 44.31 H new ATOM 0 HD22 LEU A 103 4.642 45.707 6.216 1.00 44.31 H new ATOM 0 HD23 LEU A 103 4.781 47.256 5.351 1.00 44.31 H new ATOM 1562 N ARG A 104 0.828 49.891 5.856 1.00 60.53 N ATOM 1563 CA ARG A 104 0.998 51.333 5.984 1.00 75.13 C ATOM 1564 C ARG A 104 0.269 51.858 7.217 1.00 5.55 C ATOM 1565 O ARG A 104 0.684 52.848 7.822 1.00 30.42 O ATOM 1566 CB ARG A 104 0.479 52.042 4.731 1.00 35.15 C ATOM 1567 CG ARG A 104 1.202 51.636 3.458 1.00 72.02 C ATOM 1568 CD ARG A 104 1.697 52.850 2.687 1.00 21.13 C ATOM 1569 NE ARG A 104 2.951 52.581 1.989 1.00 24.24 N ATOM 1570 CZ ARG A 104 3.028 51.898 0.853 1.00 61.13 C ATOM 1571 NH1 ARG A 104 1.929 51.418 0.288 1.00 35.24 N ATOM 1572 NH2 ARG A 104 4.207 51.694 0.278 1.00 55.43 N ATOM 0 H ARG A 104 0.492 49.585 4.943 1.00 60.53 H new ATOM 0 HA ARG A 104 2.062 51.540 6.096 1.00 75.13 H new ATOM 0 HB2 ARG A 104 -0.584 51.830 4.618 1.00 35.15 H new ATOM 0 HB3 ARG A 104 0.577 53.119 4.867 1.00 35.15 H new ATOM 0 HG2 ARG A 104 2.046 50.993 3.707 1.00 72.02 H new ATOM 0 HG3 ARG A 104 0.531 51.052 2.828 1.00 72.02 H new ATOM 0 HD2 ARG A 104 0.939 53.155 1.966 1.00 21.13 H new ATOM 0 HD3 ARG A 104 1.837 53.684 3.375 1.00 21.13 H new ATOM 0 HE ARG A 104 3.815 52.937 2.397 1.00 24.24 H new ATOM 0 HH11 ARG A 104 1.021 51.573 0.726 1.00 35.24 H new ATOM 0 HH12 ARG A 104 1.991 50.894 -0.585 1.00 35.24 H new ATOM 0 HH21 ARG A 104 5.055 52.062 0.709 1.00 55.43 H new ATOM 0 HH22 ARG A 104 4.265 51.169 -0.595 1.00 55.43 H new ATOM 1586 N LYS A 105 -0.819 51.190 7.585 1.00 5.44 N ATOM 1587 CA LYS A 105 -1.605 51.588 8.747 1.00 40.21 C ATOM 1588 C LYS A 105 -1.614 50.486 9.801 1.00 32.02 C ATOM 1589 O LYS A 105 -1.546 50.759 10.999 1.00 1.41 O ATOM 1590 CB LYS A 105 -3.039 51.920 8.328 1.00 31.02 C ATOM 1591 CG LYS A 105 -3.711 50.816 7.530 1.00 24.21 C ATOM 1592 CD LYS A 105 -5.012 51.291 6.906 1.00 1.21 C ATOM 1593 CE LYS A 105 -5.608 50.235 5.988 1.00 13.11 C ATOM 1594 NZ LYS A 105 -7.067 50.052 6.227 1.00 24.14 N ATOM 0 H LYS A 105 -1.177 50.370 7.095 1.00 5.44 H new ATOM 0 HA LYS A 105 -1.144 52.476 9.180 1.00 40.21 H new ATOM 0 HB2 LYS A 105 -3.631 52.124 9.220 1.00 31.02 H new ATOM 0 HB3 LYS A 105 -3.033 52.834 7.734 1.00 31.02 H new ATOM 0 HG2 LYS A 105 -3.036 50.470 6.747 1.00 24.21 H new ATOM 0 HG3 LYS A 105 -3.908 49.964 8.181 1.00 24.21 H new ATOM 0 HD2 LYS A 105 -5.726 51.536 7.692 1.00 1.21 H new ATOM 0 HD3 LYS A 105 -4.833 52.206 6.342 1.00 1.21 H new ATOM 0 HE2 LYS A 105 -5.443 50.522 4.949 1.00 13.11 H new ATOM 0 HE3 LYS A 105 -5.093 49.287 6.142 1.00 13.11 H new ATOM 0 HZ1 LYS A 105 -7.436 49.324 5.582 1.00 24.14 H new ATOM 0 HZ2 LYS A 105 -7.223 49.754 7.211 1.00 24.14 H new ATOM 0 HZ3 LYS A 105 -7.562 50.950 6.055 1.00 24.14 H new ATOM 1608 N ALA A 106 -1.698 49.240 9.347 1.00 24.32 N ATOM 1609 CA ALA A 106 -1.712 48.097 10.251 1.00 22.44 C ATOM 1610 C ALA A 106 -0.440 48.045 11.091 1.00 12.25 C ATOM 1611 O ALA A 106 0.504 48.797 10.850 1.00 31.44 O ATOM 1612 CB ALA A 106 -1.880 46.804 9.466 1.00 54.40 C ATOM 0 H ALA A 106 -1.757 48.997 8.358 1.00 24.32 H new ATOM 0 HA ALA A 106 -2.559 48.212 10.927 1.00 22.44 H new ATOM 0 HB1 ALA A 106 -1.889 45.959 10.154 1.00 54.40 H new ATOM 0 HB2 ALA A 106 -2.820 46.833 8.915 1.00 54.40 H new ATOM 0 HB3 ALA A 106 -1.052 46.693 8.766 1.00 54.40 H new ATOM 1618 N GLU A 107 -0.424 47.154 12.078 1.00 2.52 N ATOM 1619 CA GLU A 107 0.732 47.008 12.955 1.00 64.55 C ATOM 1620 C GLU A 107 1.944 46.501 12.177 1.00 74.32 C ATOM 1621 O GLU A 107 1.923 46.434 10.949 1.00 72.14 O ATOM 1622 CB GLU A 107 0.412 46.048 14.102 1.00 34.13 C ATOM 1623 CG GLU A 107 0.697 46.627 15.478 1.00 52.22 C ATOM 1624 CD GLU A 107 -0.412 46.343 16.472 1.00 54.21 C ATOM 1625 OE1 GLU A 107 -0.531 45.180 16.912 1.00 45.23 O ATOM 1626 OE2 GLU A 107 -1.162 47.283 16.810 1.00 71.22 O ATOM 0 H GLU A 107 -1.197 46.523 12.290 1.00 2.52 H new ATOM 0 HA GLU A 107 0.969 47.989 13.367 1.00 64.55 H new ATOM 0 HB2 GLU A 107 -0.640 45.766 14.046 1.00 34.13 H new ATOM 0 HB3 GLU A 107 0.994 45.135 13.974 1.00 34.13 H new ATOM 0 HG2 GLU A 107 1.632 46.214 15.855 1.00 52.22 H new ATOM 0 HG3 GLU A 107 0.836 47.705 15.393 1.00 52.22 H new ATOM 1633 N GLY A 108 2.999 46.145 12.903 1.00 63.02 N ATOM 1634 CA GLY A 108 4.205 45.650 12.265 1.00 22.41 C ATOM 1635 C GLY A 108 3.978 44.342 11.532 1.00 3.32 C ATOM 1636 O GLY A 108 2.846 44.005 11.188 1.00 63.44 O ATOM 0 H GLY A 108 3.040 46.190 13.921 1.00 63.02 H new ATOM 0 HA2 GLY A 108 4.574 46.397 11.562 1.00 22.41 H new ATOM 0 HA3 GLY A 108 4.980 45.511 13.019 1.00 22.41 H new ATOM 1640 N ALA A 109 5.058 43.605 11.292 1.00 51.52 N ATOM 1641 CA ALA A 109 4.971 42.328 10.595 1.00 3.02 C ATOM 1642 C ALA A 109 3.993 41.388 11.292 1.00 50.23 C ATOM 1643 O ALA A 109 3.422 40.496 10.665 1.00 71.32 O ATOM 1644 CB ALA A 109 6.347 41.685 10.500 1.00 72.35 C ATOM 0 H ALA A 109 6.003 43.871 11.570 1.00 51.52 H new ATOM 0 HA ALA A 109 4.599 42.516 9.588 1.00 3.02 H new ATOM 0 HB1 ALA A 109 6.268 40.732 9.977 1.00 72.35 H new ATOM 0 HB2 ALA A 109 7.020 42.345 9.952 1.00 72.35 H new ATOM 0 HB3 ALA A 109 6.740 41.517 11.503 1.00 72.35 H new ATOM 1650 N ARG A 110 3.805 41.594 12.591 1.00 11.31 N ATOM 1651 CA ARG A 110 2.897 40.764 13.373 1.00 71.32 C ATOM 1652 C ARG A 110 1.499 40.763 12.762 1.00 15.41 C ATOM 1653 O ARG A 110 0.874 39.713 12.619 1.00 22.53 O ATOM 1654 CB ARG A 110 2.834 41.261 14.818 1.00 34.22 C ATOM 1655 CG ARG A 110 3.740 40.493 15.767 1.00 42.35 C ATOM 1656 CD ARG A 110 3.387 40.768 17.220 1.00 51.32 C ATOM 1657 NE ARG A 110 3.653 39.615 18.075 1.00 33.04 N ATOM 1658 CZ ARG A 110 4.874 39.223 18.422 1.00 14.12 C ATOM 1659 NH1 ARG A 110 5.935 39.889 17.989 1.00 22.10 N ATOM 1660 NH2 ARG A 110 5.034 38.163 19.204 1.00 4.33 N ATOM 0 H ARG A 110 4.270 42.329 13.124 1.00 11.31 H new ATOM 0 HA ARG A 110 3.279 39.743 13.364 1.00 71.32 H new ATOM 0 HB2 ARG A 110 3.107 42.316 14.843 1.00 34.22 H new ATOM 0 HB3 ARG A 110 1.806 41.190 15.173 1.00 34.22 H new ATOM 0 HG2 ARG A 110 3.656 39.425 15.567 1.00 42.35 H new ATOM 0 HG3 ARG A 110 4.778 40.771 15.585 1.00 42.35 H new ATOM 0 HD2 ARG A 110 3.960 41.624 17.577 1.00 51.32 H new ATOM 0 HD3 ARG A 110 2.333 41.038 17.292 1.00 51.32 H new ATOM 0 HE ARG A 110 2.858 39.081 18.425 1.00 33.04 H new ATOM 0 HH11 ARG A 110 5.815 40.704 17.388 1.00 22.10 H new ATOM 0 HH12 ARG A 110 6.871 39.586 18.257 1.00 22.10 H new ATOM 0 HH21 ARG A 110 4.219 37.649 19.539 1.00 4.33 H new ATOM 0 HH22 ARG A 110 5.972 37.862 19.470 1.00 4.33 H new ATOM 1674 N GLN A 111 1.014 41.948 12.405 1.00 42.42 N ATOM 1675 CA GLN A 111 -0.311 42.084 11.811 1.00 44.01 C ATOM 1676 C GLN A 111 -0.368 41.405 10.446 1.00 5.33 C ATOM 1677 O GLN A 111 -1.387 40.827 10.070 1.00 15.15 O ATOM 1678 CB GLN A 111 -0.683 43.561 11.675 1.00 43.52 C ATOM 1679 CG GLN A 111 -2.178 43.803 11.543 1.00 21.35 C ATOM 1680 CD GLN A 111 -2.887 43.811 12.883 1.00 15.41 C ATOM 1681 OE1 GLN A 111 -2.253 43.899 13.934 1.00 5.14 O ATOM 1682 NE2 GLN A 111 -4.212 43.720 12.852 1.00 1.33 N ATOM 0 H GLN A 111 1.519 42.827 12.517 1.00 42.42 H new ATOM 0 HA GLN A 111 -1.029 41.595 12.470 1.00 44.01 H new ATOM 0 HB2 GLN A 111 -0.311 44.102 12.545 1.00 43.52 H new ATOM 0 HB3 GLN A 111 -0.178 43.975 10.802 1.00 43.52 H new ATOM 0 HG2 GLN A 111 -2.345 44.756 11.042 1.00 21.35 H new ATOM 0 HG3 GLN A 111 -2.613 43.029 10.910 1.00 21.35 H new ATOM 0 HE21 GLN A 111 -4.698 43.649 11.958 1.00 1.33 H new ATOM 0 HE22 GLN A 111 -4.744 43.721 13.722 1.00 1.33 H new ATOM 1691 N LYS A 112 0.734 41.480 9.708 1.00 64.33 N ATOM 1692 CA LYS A 112 0.812 40.872 8.384 1.00 14.15 C ATOM 1693 C LYS A 112 0.624 39.361 8.468 1.00 74.30 C ATOM 1694 O LYS A 112 -0.159 38.781 7.714 1.00 22.13 O ATOM 1695 CB LYS A 112 2.157 41.194 7.731 1.00 63.04 C ATOM 1696 CG LYS A 112 2.036 41.685 6.299 1.00 54.35 C ATOM 1697 CD LYS A 112 1.750 43.177 6.243 1.00 65.31 C ATOM 1698 CE LYS A 112 0.263 43.465 6.377 1.00 1.23 C ATOM 1699 NZ LYS A 112 -0.073 44.033 7.712 1.00 13.02 N ATOM 0 H LYS A 112 1.586 41.956 10.004 1.00 64.33 H new ATOM 0 HA LYS A 112 0.010 41.287 7.773 1.00 14.15 H new ATOM 0 HB2 LYS A 112 2.667 41.953 8.324 1.00 63.04 H new ATOM 0 HB3 LYS A 112 2.783 40.302 7.749 1.00 63.04 H new ATOM 0 HG2 LYS A 112 2.959 41.470 5.761 1.00 54.35 H new ATOM 0 HG3 LYS A 112 1.238 41.141 5.793 1.00 54.35 H new ATOM 0 HD2 LYS A 112 2.293 43.683 7.041 1.00 65.31 H new ATOM 0 HD3 LYS A 112 2.117 43.584 5.301 1.00 65.31 H new ATOM 0 HE2 LYS A 112 -0.044 44.163 5.598 1.00 1.23 H new ATOM 0 HE3 LYS A 112 -0.301 42.545 6.221 1.00 1.23 H new ATOM 0 HZ1 LYS A 112 -0.992 43.661 8.026 1.00 13.02 H new ATOM 0 HZ2 LYS A 112 0.662 43.766 8.398 1.00 13.02 H new ATOM 0 HZ3 LYS A 112 -0.124 45.070 7.645 1.00 13.02 H new ATOM 1713 N ILE A 113 1.344 38.729 9.389 1.00 50.52 N ATOM 1714 CA ILE A 113 1.254 37.286 9.572 1.00 53.24 C ATOM 1715 C ILE A 113 -0.179 36.859 9.871 1.00 31.40 C ATOM 1716 O ILE A 113 -0.719 35.966 9.219 1.00 32.42 O ATOM 1717 CB ILE A 113 2.170 36.805 10.712 1.00 61.31 C ATOM 1718 CG1 ILE A 113 3.621 37.198 10.430 1.00 45.42 C ATOM 1719 CG2 ILE A 113 2.049 35.299 10.889 1.00 71.53 C ATOM 1720 CD1 ILE A 113 4.527 37.074 11.635 1.00 33.53 C ATOM 0 H ILE A 113 1.996 39.194 10.020 1.00 50.52 H new ATOM 0 HA ILE A 113 1.580 36.828 8.638 1.00 53.24 H new ATOM 0 HB ILE A 113 1.856 37.287 11.638 1.00 61.31 H new ATOM 0 HG12 ILE A 113 4.009 36.570 9.628 1.00 45.42 H new ATOM 0 HG13 ILE A 113 3.647 38.227 10.071 1.00 45.42 H new ATOM 0 HG21 ILE A 113 2.703 34.974 11.699 1.00 71.53 H new ATOM 0 HG22 ILE A 113 1.017 35.043 11.130 1.00 71.53 H new ATOM 0 HG23 ILE A 113 2.340 34.799 9.965 1.00 71.53 H new ATOM 0 HD11 ILE A 113 5.540 37.369 11.361 1.00 33.53 H new ATOM 0 HD12 ILE A 113 4.163 37.723 12.432 1.00 33.53 H new ATOM 0 HD13 ILE A 113 4.532 36.041 11.982 1.00 33.53 H new ATOM 1732 N GLU A 114 -0.789 37.504 10.860 1.00 31.14 N ATOM 1733 CA GLU A 114 -2.160 37.190 11.245 1.00 52.30 C ATOM 1734 C GLU A 114 -3.113 37.381 10.068 1.00 64.31 C ATOM 1735 O GLU A 114 -3.933 36.512 9.773 1.00 43.13 O ATOM 1736 CB GLU A 114 -2.599 38.071 12.417 1.00 25.53 C ATOM 1737 CG GLU A 114 -2.811 37.301 13.710 1.00 34.20 C ATOM 1738 CD GLU A 114 -3.444 38.149 14.796 1.00 33.43 C ATOM 1739 OE1 GLU A 114 -2.805 39.130 15.230 1.00 53.44 O ATOM 1740 OE2 GLU A 114 -4.577 37.831 15.213 1.00 35.32 O ATOM 0 H GLU A 114 -0.356 38.247 11.409 1.00 31.14 H new ATOM 0 HA GLU A 114 -2.193 36.145 11.552 1.00 52.30 H new ATOM 0 HB2 GLU A 114 -1.847 38.843 12.582 1.00 25.53 H new ATOM 0 HB3 GLU A 114 -3.525 38.580 12.151 1.00 25.53 H new ATOM 0 HG2 GLU A 114 -3.445 36.436 13.514 1.00 34.20 H new ATOM 0 HG3 GLU A 114 -1.853 36.921 14.063 1.00 34.20 H new ATOM 1747 N ALA A 115 -2.997 38.524 9.400 1.00 32.10 N ATOM 1748 CA ALA A 115 -3.846 38.829 8.255 1.00 61.41 C ATOM 1749 C ALA A 115 -3.701 37.770 7.167 1.00 30.20 C ATOM 1750 O ALA A 115 -4.690 37.315 6.594 1.00 15.44 O ATOM 1751 CB ALA A 115 -3.511 40.206 7.702 1.00 73.25 C ATOM 0 H ALA A 115 -2.323 39.254 9.632 1.00 32.10 H new ATOM 0 HA ALA A 115 -4.883 38.827 8.592 1.00 61.41 H new ATOM 0 HB1 ALA A 115 -4.152 40.421 6.847 1.00 73.25 H new ATOM 0 HB2 ALA A 115 -3.672 40.958 8.475 1.00 73.25 H new ATOM 0 HB3 ALA A 115 -2.468 40.228 7.387 1.00 73.25 H new ATOM 1757 N ASN A 116 -2.461 37.382 6.887 1.00 71.22 N ATOM 1758 CA ASN A 116 -2.187 36.377 5.866 1.00 60.10 C ATOM 1759 C ASN A 116 -2.893 35.064 6.192 1.00 42.14 C ATOM 1760 O ASN A 116 -3.571 34.484 5.343 1.00 73.02 O ATOM 1761 CB ASN A 116 -0.680 36.142 5.744 1.00 71.04 C ATOM 1762 CG ASN A 116 -0.021 37.106 4.776 1.00 74.24 C ATOM 1763 OD1 ASN A 116 -0.698 37.795 4.012 1.00 64.45 O ATOM 1764 ND2 ASN A 116 1.305 37.158 4.804 1.00 42.21 N ATOM 0 H ASN A 116 -1.630 37.748 7.352 1.00 71.22 H new ATOM 0 HA ASN A 116 -2.569 36.748 4.915 1.00 60.10 H new ATOM 0 HB2 ASN A 116 -0.218 36.245 6.726 1.00 71.04 H new ATOM 0 HB3 ASN A 116 -0.500 35.119 5.413 1.00 71.04 H new ATOM 0 HD21 ASN A 116 1.804 37.788 4.176 1.00 42.21 H new ATOM 0 HD22 ASN A 116 1.825 36.568 5.454 1.00 42.21 H new ATOM 1771 N LEU A 117 -2.729 34.601 7.426 1.00 51.30 N ATOM 1772 CA LEU A 117 -3.351 33.357 7.865 1.00 30.13 C ATOM 1773 C LEU A 117 -4.859 33.393 7.640 1.00 32.22 C ATOM 1774 O LEU A 117 -5.475 32.374 7.328 1.00 24.10 O ATOM 1775 CB LEU A 117 -3.050 33.108 9.344 1.00 35.13 C ATOM 1776 CG LEU A 117 -1.572 33.028 9.724 1.00 25.34 C ATOM 1777 CD1 LEU A 117 -1.345 33.604 11.114 1.00 75.43 C ATOM 1778 CD2 LEU A 117 -1.080 31.589 9.655 1.00 53.10 C ATOM 0 H LEU A 117 -2.171 35.068 8.140 1.00 51.30 H new ATOM 0 HA LEU A 117 -2.934 32.542 7.273 1.00 30.13 H new ATOM 0 HB2 LEU A 117 -3.512 33.905 9.927 1.00 35.13 H new ATOM 0 HB3 LEU A 117 -3.532 32.176 9.640 1.00 35.13 H new ATOM 0 HG LEU A 117 -1.001 33.621 9.010 1.00 25.34 H new ATOM 0 HD11 LEU A 117 -0.287 33.538 11.367 1.00 75.43 H new ATOM 0 HD12 LEU A 117 -1.658 34.648 11.131 1.00 75.43 H new ATOM 0 HD13 LEU A 117 -1.928 33.039 11.842 1.00 75.43 H new ATOM 0 HD21 LEU A 117 -0.026 31.551 9.929 1.00 53.10 H new ATOM 0 HD22 LEU A 117 -1.656 30.974 10.346 1.00 53.10 H new ATOM 0 HD23 LEU A 117 -1.205 31.210 8.641 1.00 53.10 H new ATOM 1790 N ALA A 118 -5.448 34.574 7.799 1.00 70.32 N ATOM 1791 CA ALA A 118 -6.883 34.743 7.609 1.00 52.33 C ATOM 1792 C ALA A 118 -7.263 34.600 6.139 1.00 40.32 C ATOM 1793 O ALA A 118 -8.319 34.058 5.810 1.00 63.34 O ATOM 1794 CB ALA A 118 -7.330 36.097 8.142 1.00 61.50 C ATOM 0 H ALA A 118 -4.953 35.427 8.059 1.00 70.32 H new ATOM 0 HA ALA A 118 -7.393 33.958 8.167 1.00 52.33 H new ATOM 0 HB1 ALA A 118 -8.404 36.210 7.994 1.00 61.50 H new ATOM 0 HB2 ALA A 118 -7.102 36.163 9.206 1.00 61.50 H new ATOM 0 HB3 ALA A 118 -6.805 36.889 7.609 1.00 61.50 H new ATOM 1800 N LEU A 119 -6.397 35.090 5.259 1.00 52.44 N ATOM 1801 CA LEU A 119 -6.642 35.018 3.822 1.00 32.33 C ATOM 1802 C LEU A 119 -6.619 33.571 3.338 1.00 0.45 C ATOM 1803 O LEU A 119 -7.500 33.141 2.595 1.00 55.14 O ATOM 1804 CB LEU A 119 -5.597 35.838 3.064 1.00 22.15 C ATOM 1805 CG LEU A 119 -5.905 36.124 1.594 1.00 22.33 C ATOM 1806 CD1 LEU A 119 -6.853 37.306 1.468 1.00 45.35 C ATOM 1807 CD2 LEU A 119 -4.620 36.382 0.821 1.00 50.23 C ATOM 0 H LEU A 119 -5.519 35.541 5.515 1.00 52.44 H new ATOM 0 HA LEU A 119 -7.631 35.432 3.626 1.00 32.33 H new ATOM 0 HB2 LEU A 119 -5.468 36.790 3.579 1.00 22.15 H new ATOM 0 HB3 LEU A 119 -4.643 35.314 3.119 1.00 22.15 H new ATOM 0 HG LEU A 119 -6.392 35.248 1.167 1.00 22.33 H new ATOM 0 HD11 LEU A 119 -7.061 37.495 0.415 1.00 45.35 H new ATOM 0 HD12 LEU A 119 -7.785 37.082 1.987 1.00 45.35 H new ATOM 0 HD13 LEU A 119 -6.394 38.190 1.911 1.00 45.35 H new ATOM 0 HD21 LEU A 119 -4.858 36.584 -0.223 1.00 50.23 H new ATOM 0 HD22 LEU A 119 -4.105 37.242 1.248 1.00 50.23 H new ATOM 0 HD23 LEU A 119 -3.976 35.505 0.883 1.00 50.23 H new ATOM 1819 N ARG A 120 -5.606 32.826 3.767 1.00 31.45 N ATOM 1820 CA ARG A 120 -5.469 31.427 3.379 1.00 43.12 C ATOM 1821 C ARG A 120 -6.650 30.604 3.884 1.00 72.03 C ATOM 1822 O ARG A 120 -7.111 29.683 3.209 1.00 30.13 O ATOM 1823 CB ARG A 120 -4.161 30.850 3.924 1.00 11.23 C ATOM 1824 CG ARG A 120 -2.929 31.642 3.517 1.00 13.24 C ATOM 1825 CD ARG A 120 -2.455 31.258 2.125 1.00 62.32 C ATOM 1826 NE ARG A 120 -1.032 31.530 1.937 1.00 72.42 N ATOM 1827 CZ ARG A 120 -0.538 32.744 1.722 1.00 33.12 C ATOM 1828 NH1 ARG A 120 -1.348 33.793 1.669 1.00 23.32 N ATOM 1829 NH2 ARG A 120 0.768 32.911 1.561 1.00 41.04 N ATOM 0 H ARG A 120 -4.868 33.167 4.383 1.00 31.45 H new ATOM 0 HA ARG A 120 -5.454 31.378 2.290 1.00 43.12 H new ATOM 0 HB2 ARG A 120 -4.216 30.813 5.012 1.00 11.23 H new ATOM 0 HB3 ARG A 120 -4.054 29.823 3.575 1.00 11.23 H new ATOM 0 HG2 ARG A 120 -3.155 32.708 3.544 1.00 13.24 H new ATOM 0 HG3 ARG A 120 -2.129 31.467 4.236 1.00 13.24 H new ATOM 0 HD2 ARG A 120 -2.647 30.198 1.956 1.00 62.32 H new ATOM 0 HD3 ARG A 120 -3.031 31.809 1.381 1.00 62.32 H new ATOM 0 HE ARG A 120 -0.382 30.745 1.973 1.00 72.42 H new ATOM 0 HH11 ARG A 120 -2.353 33.668 1.794 1.00 23.32 H new ATOM 0 HH12 ARG A 120 -0.966 34.724 1.504 1.00 23.32 H new ATOM 0 HH21 ARG A 120 1.394 32.107 1.602 1.00 41.04 H new ATOM 0 HH22 ARG A 120 1.146 33.844 1.396 1.00 41.04 H new ATOM 1843 N ARG A 121 -7.135 30.942 5.074 1.00 2.30 N ATOM 1844 CA ARG A 121 -8.261 30.234 5.670 1.00 61.30 C ATOM 1845 C ARG A 121 -9.548 30.511 4.898 1.00 3.13 C ATOM 1846 O ARG A 121 -10.287 29.590 4.553 1.00 32.15 O ATOM 1847 CB ARG A 121 -8.433 30.645 7.134 1.00 63.55 C ATOM 1848 CG ARG A 121 -9.020 29.549 8.009 1.00 45.12 C ATOM 1849 CD ARG A 121 -8.790 29.832 9.485 1.00 45.50 C ATOM 1850 NE ARG A 121 -9.690 30.865 9.991 1.00 71.10 N ATOM 1851 CZ ARG A 121 -9.690 31.288 11.250 1.00 24.22 C ATOM 1852 NH1 ARG A 121 -8.840 30.770 12.127 1.00 71.04 N ATOM 1853 NH2 ARG A 121 -10.540 32.231 11.635 1.00 43.22 N ATOM 0 H ARG A 121 -6.765 31.702 5.645 1.00 2.30 H new ATOM 0 HA ARG A 121 -8.052 29.165 5.622 1.00 61.30 H new ATOM 0 HB2 ARG A 121 -7.464 30.939 7.536 1.00 63.55 H new ATOM 0 HB3 ARG A 121 -9.078 31.522 7.183 1.00 63.55 H new ATOM 0 HG2 ARG A 121 -10.089 29.462 7.816 1.00 45.12 H new ATOM 0 HG3 ARG A 121 -8.570 28.592 7.746 1.00 45.12 H new ATOM 0 HD2 ARG A 121 -8.933 28.915 10.057 1.00 45.50 H new ATOM 0 HD3 ARG A 121 -7.757 30.145 9.637 1.00 45.50 H new ATOM 0 HE ARG A 121 -10.355 31.285 9.342 1.00 71.10 H new ATOM 0 HH11 ARG A 121 -8.184 30.045 11.835 1.00 71.04 H new ATOM 0 HH12 ARG A 121 -8.842 31.097 13.093 1.00 71.04 H new ATOM 0 HH21 ARG A 121 -11.195 32.632 10.964 1.00 43.22 H new ATOM 0 HH22 ARG A 121 -10.539 32.555 12.602 1.00 43.22 H new ATOM 1867 N ALA A 122 -9.808 31.787 4.631 1.00 32.33 N ATOM 1868 CA ALA A 122 -11.004 32.185 3.900 1.00 51.34 C ATOM 1869 C ALA A 122 -11.045 31.537 2.520 1.00 33.31 C ATOM 1870 O ALA A 122 -12.056 30.953 2.128 1.00 23.43 O ATOM 1871 CB ALA A 122 -11.066 33.700 3.775 1.00 50.43 C ATOM 0 H ALA A 122 -9.206 32.562 4.910 1.00 32.33 H new ATOM 0 HA ALA A 122 -11.873 31.841 4.460 1.00 51.34 H new ATOM 0 HB1 ALA A 122 -11.964 33.983 3.227 1.00 50.43 H new ATOM 0 HB2 ALA A 122 -11.092 34.146 4.769 1.00 50.43 H new ATOM 0 HB3 ALA A 122 -10.186 34.057 3.239 1.00 50.43 H new ATOM 1877 N ARG A 123 -9.941 31.644 1.788 1.00 75.13 N ATOM 1878 CA ARG A 123 -9.853 31.069 0.451 1.00 42.32 C ATOM 1879 C ARG A 123 -10.240 29.593 0.467 1.00 44.33 C ATOM 1880 O ARG A 123 -11.055 29.145 -0.340 1.00 32.23 O ATOM 1881 CB ARG A 123 -8.436 31.230 -0.104 1.00 12.33 C ATOM 1882 CG ARG A 123 -8.397 31.717 -1.543 1.00 72.22 C ATOM 1883 CD ARG A 123 -7.899 33.151 -1.633 1.00 74.13 C ATOM 1884 NE ARG A 123 -7.824 33.618 -3.015 1.00 4.21 N ATOM 1885 CZ ARG A 123 -7.437 34.842 -3.356 1.00 51.35 C ATOM 1886 NH1 ARG A 123 -7.093 35.717 -2.422 1.00 3.32 N ATOM 1887 NH2 ARG A 123 -7.394 35.193 -4.635 1.00 51.15 N ATOM 0 H ARG A 123 -9.096 32.123 2.098 1.00 75.13 H new ATOM 0 HA ARG A 123 -10.551 31.603 -0.194 1.00 42.32 H new ATOM 0 HB2 ARG A 123 -7.887 31.932 0.523 1.00 12.33 H new ATOM 0 HB3 ARG A 123 -7.919 30.273 -0.039 1.00 12.33 H new ATOM 0 HG2 ARG A 123 -7.748 31.068 -2.130 1.00 72.22 H new ATOM 0 HG3 ARG A 123 -9.394 31.649 -1.978 1.00 72.22 H new ATOM 0 HD2 ARG A 123 -8.564 33.802 -1.066 1.00 74.13 H new ATOM 0 HD3 ARG A 123 -6.914 33.222 -1.172 1.00 74.13 H new ATOM 0 HE ARG A 123 -8.083 32.969 -3.758 1.00 4.21 H new ATOM 0 HH11 ARG A 123 -7.125 35.451 -1.438 1.00 3.32 H new ATOM 0 HH12 ARG A 123 -6.796 36.656 -2.687 1.00 3.32 H new ATOM 0 HH21 ARG A 123 -7.658 34.523 -5.357 1.00 51.15 H new ATOM 0 HH22 ARG A 123 -7.097 36.133 -4.896 1.00 51.15 H new ATOM 1901 N THR A 124 -9.648 28.842 1.390 1.00 31.41 N ATOM 1902 CA THR A 124 -9.929 27.417 1.510 1.00 21.43 C ATOM 1903 C THR A 124 -11.393 27.172 1.855 1.00 34.12 C ATOM 1904 O THR A 124 -11.993 26.197 1.401 1.00 13.33 O ATOM 1905 CB THR A 124 -9.043 26.758 2.585 1.00 52.21 C ATOM 1906 OG1 THR A 124 -7.689 27.203 2.444 1.00 55.00 O ATOM 1907 CG2 THR A 124 -9.098 25.242 2.477 1.00 70.23 C ATOM 0 H THR A 124 -8.971 29.197 2.065 1.00 31.41 H new ATOM 0 HA THR A 124 -9.707 26.969 0.541 1.00 21.43 H new ATOM 0 HB THR A 124 -9.421 27.050 3.565 1.00 52.21 H new ATOM 0 HG1 THR A 124 -7.540 27.984 3.017 1.00 55.00 H new ATOM 0 HG21 THR A 124 -8.465 24.799 3.246 1.00 70.23 H new ATOM 0 HG22 THR A 124 -10.125 24.904 2.614 1.00 70.23 H new ATOM 0 HG23 THR A 124 -8.743 24.934 1.493 1.00 70.23 H new ATOM 1915 N ARG A 125 -11.964 28.063 2.660 1.00 62.32 N ATOM 1916 CA ARG A 125 -13.359 27.942 3.066 1.00 41.53 C ATOM 1917 C ARG A 125 -14.285 28.004 1.854 1.00 2.44 C ATOM 1918 O ARG A 125 -15.141 27.140 1.669 1.00 32.55 O ATOM 1919 CB ARG A 125 -13.722 29.051 4.055 1.00 4.24 C ATOM 1920 CG ARG A 125 -15.120 28.916 4.635 1.00 11.44 C ATOM 1921 CD ARG A 125 -15.799 30.270 4.774 1.00 43.24 C ATOM 1922 NE ARG A 125 -16.419 30.702 3.524 1.00 63.23 N ATOM 1923 CZ ARG A 125 -17.587 30.244 3.086 1.00 4.44 C ATOM 1924 NH1 ARG A 125 -18.258 29.347 3.794 1.00 22.53 N ATOM 1925 NH2 ARG A 125 -18.086 30.686 1.939 1.00 64.32 N ATOM 0 H ARG A 125 -11.482 28.876 3.044 1.00 62.32 H new ATOM 0 HA ARG A 125 -13.488 26.975 3.551 1.00 41.53 H new ATOM 0 HB2 ARG A 125 -12.998 29.051 4.870 1.00 4.24 H new ATOM 0 HB3 ARG A 125 -13.637 30.015 3.554 1.00 4.24 H new ATOM 0 HG2 ARG A 125 -15.720 28.271 3.994 1.00 11.44 H new ATOM 0 HG3 ARG A 125 -15.065 28.433 5.611 1.00 11.44 H new ATOM 0 HD2 ARG A 125 -16.557 30.217 5.555 1.00 43.24 H new ATOM 0 HD3 ARG A 125 -15.066 31.012 5.091 1.00 43.24 H new ATOM 0 HE ARG A 125 -15.929 31.393 2.956 1.00 63.23 H new ATOM 0 HH11 ARG A 125 -17.878 29.007 4.677 1.00 22.53 H new ATOM 0 HH12 ARG A 125 -19.154 28.997 3.456 1.00 22.53 H new ATOM 0 HH21 ARG A 125 -17.573 31.378 1.393 1.00 64.32 H new ATOM 0 HH22 ARG A 125 -18.983 30.334 1.604 1.00 64.32 H new ATOM 1939 N VAL A 126 -14.107 29.034 1.032 1.00 70.50 N ATOM 1940 CA VAL A 126 -14.926 29.208 -0.162 1.00 4.42 C ATOM 1941 C VAL A 126 -14.671 28.094 -1.171 1.00 2.51 C ATOM 1942 O VAL A 126 -15.583 27.659 -1.872 1.00 51.04 O ATOM 1943 CB VAL A 126 -14.654 30.567 -0.834 1.00 52.32 C ATOM 1944 CG1 VAL A 126 -15.597 30.780 -2.009 1.00 33.14 C ATOM 1945 CG2 VAL A 126 -14.785 31.697 0.176 1.00 22.23 C ATOM 0 H VAL A 126 -13.404 29.760 1.171 1.00 70.50 H new ATOM 0 HA VAL A 126 -15.967 29.171 0.159 1.00 4.42 H new ATOM 0 HB VAL A 126 -13.632 30.566 -1.214 1.00 52.32 H new ATOM 0 HG11 VAL A 126 -15.390 31.745 -2.471 1.00 33.14 H new ATOM 0 HG12 VAL A 126 -15.449 29.987 -2.742 1.00 33.14 H new ATOM 0 HG13 VAL A 126 -16.628 30.760 -1.656 1.00 33.14 H new ATOM 0 HG21 VAL A 126 -14.589 32.650 -0.316 1.00 22.23 H new ATOM 0 HG22 VAL A 126 -15.794 31.702 0.588 1.00 22.23 H new ATOM 0 HG23 VAL A 126 -14.065 31.550 0.981 1.00 22.23 H new ATOM 1955 N GLU A 127 -13.424 27.638 -1.238 1.00 31.43 N ATOM 1956 CA GLU A 127 -13.050 26.574 -2.162 1.00 64.20 C ATOM 1957 C GLU A 127 -13.710 25.255 -1.770 1.00 51.23 C ATOM 1958 O GLU A 127 -14.236 24.536 -2.619 1.00 63.22 O ATOM 1959 CB GLU A 127 -11.529 26.406 -2.192 1.00 50.03 C ATOM 1960 CG GLU A 127 -10.907 26.737 -3.538 1.00 42.23 C ATOM 1961 CD GLU A 127 -11.340 28.092 -4.064 1.00 2.13 C ATOM 1962 OE1 GLU A 127 -11.553 29.007 -3.242 1.00 10.44 O ATOM 1963 OE2 GLU A 127 -11.465 28.237 -5.298 1.00 31.40 O ATOM 0 H GLU A 127 -12.657 27.988 -0.664 1.00 31.43 H new ATOM 0 HA GLU A 127 -13.398 26.853 -3.157 1.00 64.20 H new ATOM 0 HB2 GLU A 127 -11.086 27.046 -1.429 1.00 50.03 H new ATOM 0 HB3 GLU A 127 -11.280 25.378 -1.929 1.00 50.03 H new ATOM 0 HG2 GLU A 127 -9.821 26.717 -3.447 1.00 42.23 H new ATOM 0 HG3 GLU A 127 -11.180 25.967 -4.260 1.00 42.23 H new ATOM 1970 N ALA A 128 -13.678 24.945 -0.478 1.00 52.04 N ATOM 1971 CA ALA A 128 -14.274 23.715 0.027 1.00 74.42 C ATOM 1972 C ALA A 128 -15.797 23.789 -0.006 1.00 71.41 C ATOM 1973 O ALA A 128 -16.470 22.799 -0.296 1.00 10.34 O ATOM 1974 CB ALA A 128 -13.788 23.434 1.441 1.00 11.51 C ATOM 0 H ALA A 128 -13.246 25.529 0.238 1.00 52.04 H new ATOM 0 HA ALA A 128 -13.962 22.897 -0.622 1.00 74.42 H new ATOM 0 HB1 ALA A 128 -14.242 22.512 1.805 1.00 11.51 H new ATOM 0 HB2 ALA A 128 -12.703 23.328 1.439 1.00 11.51 H new ATOM 0 HB3 ALA A 128 -14.071 24.260 2.094 1.00 11.51 H new ATOM 1980 N SER A 129 -16.334 24.967 0.293 1.00 74.00 N ATOM 1981 CA SER A 129 -17.779 25.169 0.302 1.00 64.51 C ATOM 1982 C SER A 129 -18.341 25.131 -1.116 1.00 11.02 C ATOM 1983 O SER A 129 -19.393 24.543 -1.362 1.00 61.44 O ATOM 1984 CB SER A 129 -18.124 26.503 0.965 1.00 55.22 C ATOM 1985 OG SER A 129 -19.492 26.825 0.780 1.00 32.15 O ATOM 0 H SER A 129 -15.791 25.796 0.532 1.00 74.00 H new ATOM 0 HA SER A 129 -18.231 24.360 0.875 1.00 64.51 H new ATOM 0 HB2 SER A 129 -17.900 26.452 2.030 1.00 55.22 H new ATOM 0 HB3 SER A 129 -17.501 27.293 0.546 1.00 55.22 H new ATOM 0 HG SER A 129 -19.688 27.681 1.214 1.00 32.15 H new ATOM 1991 N ASN A 130 -17.631 25.764 -2.044 1.00 54.22 N ATOM 1992 CA ASN A 130 -18.059 25.804 -3.438 1.00 11.51 C ATOM 1993 C ASN A 130 -17.075 25.054 -4.331 1.00 13.43 C ATOM 1994 O ASN A 130 -16.684 25.543 -5.391 1.00 51.42 O ATOM 1995 CB ASN A 130 -18.192 27.254 -3.911 1.00 23.44 C ATOM 1996 CG ASN A 130 -19.196 27.405 -5.037 1.00 64.32 C ATOM 1997 OD1 ASN A 130 -20.327 28.033 -4.741 1.00 52.55 O flip ATOM 1998 ND2 ASN A 130 -18.956 26.961 -6.160 1.00 11.43 N flip ATOM 0 H ASN A 130 -16.757 26.256 -1.856 1.00 54.22 H new ATOM 0 HA ASN A 130 -19.031 25.315 -3.508 1.00 11.51 H new ATOM 0 HB2 ASN A 130 -18.494 27.881 -3.072 1.00 23.44 H new ATOM 0 HB3 ASN A 130 -17.219 27.615 -4.244 1.00 23.44 H new ATOM 0 HD21 ASN A 130 -18.073 26.485 -6.342 1.00 11.43 H new ATOM 0 HD22 ASN A 130 -19.641 27.069 -6.908 1.00 11.43 H new ATOM 2005 N THR A 131 -16.679 23.863 -3.895 1.00 21.41 N ATOM 2006 CA THR A 131 -15.741 23.045 -4.653 1.00 62.32 C ATOM 2007 C THR A 131 -16.257 22.779 -6.063 1.00 15.24 C ATOM 2008 O THR A 131 -15.558 23.022 -7.046 1.00 44.32 O ATOM 2009 CB THR A 131 -15.476 21.698 -3.953 1.00 54.25 C ATOM 2010 OG1 THR A 131 -15.126 21.919 -2.583 1.00 33.14 O ATOM 2011 CG2 THR A 131 -14.360 20.936 -4.651 1.00 3.11 C ATOM 0 H THR A 131 -16.993 23.443 -3.020 1.00 21.41 H new ATOM 0 HA THR A 131 -14.808 23.606 -4.710 1.00 62.32 H new ATOM 0 HB THR A 131 -16.387 21.102 -4.003 1.00 54.25 H new ATOM 0 HG1 THR A 131 -14.835 22.847 -2.465 1.00 33.14 H new ATOM 0 HG21 THR A 131 -14.191 19.989 -4.139 1.00 3.11 H new ATOM 0 HG22 THR A 131 -14.643 20.744 -5.686 1.00 3.11 H new ATOM 0 HG23 THR A 131 -13.446 21.529 -4.629 1.00 3.11 H new ATOM 2019 N ILE A 132 -17.486 22.280 -6.153 1.00 45.22 N ATOM 2020 CA ILE A 132 -18.096 21.984 -7.443 1.00 62.23 C ATOM 2021 C ILE A 132 -19.617 22.045 -7.359 1.00 11.21 C ATOM 2022 O ILE A 132 -20.254 21.158 -6.790 1.00 42.34 O ATOM 2023 CB ILE A 132 -17.677 20.594 -7.958 1.00 51.02 C ATOM 2024 CG1 ILE A 132 -17.805 19.553 -6.844 1.00 1.53 C ATOM 2025 CG2 ILE A 132 -16.253 20.634 -8.492 1.00 71.13 C ATOM 2026 CD1 ILE A 132 -18.539 18.301 -7.268 1.00 22.40 C ATOM 0 H ILE A 132 -18.078 22.073 -5.348 1.00 45.22 H new ATOM 0 HA ILE A 132 -17.742 22.743 -8.141 1.00 62.23 H new ATOM 0 HB ILE A 132 -18.342 20.309 -8.773 1.00 51.02 H new ATOM 0 HG12 ILE A 132 -16.808 19.280 -6.497 1.00 1.53 H new ATOM 0 HG13 ILE A 132 -18.326 20.001 -5.998 1.00 1.53 H new ATOM 0 HG21 ILE A 132 -15.972 19.644 -8.852 1.00 71.13 H new ATOM 0 HG22 ILE A 132 -16.192 21.350 -9.312 1.00 71.13 H new ATOM 0 HG23 ILE A 132 -15.574 20.937 -7.695 1.00 71.13 H new ATOM 0 HD11 ILE A 132 -18.592 17.608 -6.428 1.00 22.40 H new ATOM 0 HD12 ILE A 132 -19.548 18.561 -7.588 1.00 22.40 H new ATOM 0 HD13 ILE A 132 -18.007 17.830 -8.094 1.00 22.40 H new ATOM 2038 N SER A 133 -20.194 23.098 -7.930 1.00 71.42 N ATOM 2039 CA SER A 133 -21.641 23.276 -7.918 1.00 53.21 C ATOM 2040 C SER A 133 -22.317 22.305 -8.882 1.00 45.40 C ATOM 2041 O SER A 133 -21.693 21.813 -9.823 1.00 14.05 O ATOM 2042 CB SER A 133 -22.002 24.716 -8.290 1.00 62.32 C ATOM 2043 OG SER A 133 -21.082 25.246 -9.229 1.00 24.44 O ATOM 0 H SER A 133 -19.682 23.840 -8.406 1.00 71.42 H new ATOM 0 HA SER A 133 -21.999 23.068 -6.910 1.00 53.21 H new ATOM 0 HB2 SER A 133 -23.009 24.746 -8.706 1.00 62.32 H new ATOM 0 HB3 SER A 133 -22.009 25.336 -7.393 1.00 62.32 H new ATOM 0 HG SER A 133 -21.335 26.166 -9.452 1.00 24.44 H new ATOM 2049 N SER A 134 -23.595 22.035 -8.640 1.00 73.14 N ATOM 2050 CA SER A 134 -24.356 21.120 -9.484 1.00 3.11 C ATOM 2051 C SER A 134 -25.026 21.869 -10.631 1.00 51.53 C ATOM 2052 O SER A 134 -25.781 22.815 -10.411 1.00 4.41 O ATOM 2053 CB SER A 134 -25.410 20.385 -8.654 1.00 55.43 C ATOM 2054 OG SER A 134 -25.479 20.908 -7.339 1.00 34.32 O ATOM 0 H SER A 134 -24.126 22.436 -7.867 1.00 73.14 H new ATOM 0 HA SER A 134 -23.663 20.392 -9.905 1.00 3.11 H new ATOM 0 HB2 SER A 134 -26.384 20.474 -9.136 1.00 55.43 H new ATOM 0 HB3 SER A 134 -25.170 19.322 -8.614 1.00 55.43 H new ATOM 0 HG SER A 134 -26.161 20.423 -6.829 1.00 34.32 H new