USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 848 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: B 49 THR OG1 : rot -35:sc= 0.312 USER MOD Set 1.2: B 51 THR OG1 : rot 63:sc= 1.24 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.568 USER MOD Set 2.2: B 33 TYR OH : rot -9:sc= 0.626 USER MOD Set 3.1: A 33 TYR OH : rot 9:sc= 0.223 USER MOD Set 3.2: B 11 THR OG1 : rot -162:sc= 1.42 USER MOD Set 4.1: B 8 ASN : amide:sc= 0.549 K(o=0.55,f=0) USER MOD Set 4.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 49 THR OG1 : rot -31:sc= 0.848 USER MOD Set 5.2: A 51 THR OG1 : rot 55:sc= 0.182 USER MOD Set 6.1: A 8 ASN : amide:sc= 0.828 K(o=0.83,f=0.0015) USER MOD Set 6.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.000159 (180deg=-0.000159) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.02 (180deg=1.02) USER MOD Single : A 2 GLN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0.686 (180deg=0.686) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -130:sc= -0.122 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 25 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.92) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 1.05 K(o=1,f=-3.1!) USER MOD Single : A 37 ASN : amide:sc= 1.03 K(o=1,f=-4.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -145:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.665) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 179:sc= 0 (180deg=-0.00646) USER MOD Single : B 1 MET N :NH3+ 171:sc= 0.739 (180deg=0.688) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 168:sc= 1.03 (180deg=0.902) USER MOD Single : B 10 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.22) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot -160:sc= -0.146 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 89:sc= 1.25 USER MOD Single : B 25 THR OG1 : rot -150:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.963) USER MOD Single : B 32 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.068) USER MOD Single : B 35 ASN : amide:sc=-0.00543 K(o=-0.0054,f=-2.8!) USER MOD Single : B 37 ASN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.11) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.112 9.534 -16.747 1.00 0.00 N ATOM 2 CA MET A 1 -5.101 8.446 -16.550 1.00 0.00 C ATOM 3 C MET A 1 -4.903 7.802 -15.182 1.00 0.00 C ATOM 4 O MET A 1 -3.767 7.564 -14.774 1.00 0.00 O ATOM 5 CB MET A 1 -5.020 7.409 -17.686 1.00 0.00 C ATOM 6 CG MET A 1 -6.095 6.318 -17.586 1.00 0.00 C ATOM 7 SD MET A 1 -7.799 6.948 -17.503 1.00 0.00 S ATOM 8 CE MET A 1 -8.696 5.394 -17.255 1.00 0.00 C ATOM 0 H1 MET A 1 -4.243 9.956 -17.688 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.249 10.263 -16.018 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.150 9.146 -16.672 1.00 0.00 H new ATOM 0 HA MET A 1 -6.103 8.873 -16.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.118 7.920 -18.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.035 6.942 -17.674 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.006 5.657 -18.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.901 5.713 -16.700 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.764 5.598 -17.182 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.510 4.728 -18.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.354 4.919 -16.335 1.00 0.00 H new ATOM 20 N GLN A 2 -5.996 7.517 -14.466 1.00 0.00 N ATOM 21 CA GLN A 2 -5.975 6.777 -13.191 1.00 0.00 C ATOM 22 C GLN A 2 -5.692 5.272 -13.408 1.00 0.00 C ATOM 23 O GLN A 2 -6.267 4.649 -14.303 1.00 0.00 O ATOM 24 CB GLN A 2 -7.324 6.949 -12.464 1.00 0.00 C ATOM 25 CG GLN A 2 -7.235 6.696 -10.949 1.00 0.00 C ATOM 26 CD GLN A 2 -6.907 7.960 -10.184 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.785 8.708 -9.777 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.642 8.234 -9.963 1.00 0.00 N ATOM 0 H GLN A 2 -6.934 7.795 -14.756 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.169 7.187 -12.582 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.695 7.959 -12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.053 6.264 -12.898 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.182 6.291 -10.592 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.472 5.943 -10.751 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.916 7.605 -10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.385 9.076 -9.448 1.00 0.00 H new ATOM 37 N TYR A 3 -4.829 4.692 -12.576 1.00 0.00 N ATOM 38 CA TYR A 3 -4.563 3.248 -12.457 1.00 0.00 C ATOM 39 C TYR A 3 -4.754 2.762 -11.005 1.00 0.00 C ATOM 40 O TYR A 3 -4.646 3.562 -10.073 1.00 0.00 O ATOM 41 CB TYR A 3 -3.143 2.950 -12.957 1.00 0.00 C ATOM 42 CG TYR A 3 -2.927 3.229 -14.434 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.609 4.530 -14.875 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.048 2.188 -15.374 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.453 4.797 -16.247 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.884 2.457 -16.745 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.611 3.761 -17.183 1.00 0.00 C ATOM 48 OH TYR A 3 -2.512 4.018 -18.517 1.00 0.00 O ATOM 0 H TYR A 3 -4.263 5.241 -11.929 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.279 2.705 -13.073 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.435 3.545 -12.380 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.914 1.903 -12.760 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.485 5.326 -14.155 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.267 1.184 -15.043 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.212 5.796 -16.580 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.969 1.655 -17.464 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.647 3.188 -19.021 1.00 0.00 H new ATOM 58 N LYS A 4 -4.968 1.460 -10.793 1.00 0.00 N ATOM 59 CA LYS A 4 -5.217 0.853 -9.470 1.00 0.00 C ATOM 60 C LYS A 4 -4.386 -0.433 -9.226 1.00 0.00 C ATOM 61 O LYS A 4 -4.014 -1.128 -10.169 1.00 0.00 O ATOM 62 CB LYS A 4 -6.734 0.594 -9.346 1.00 0.00 C ATOM 63 CG LYS A 4 -7.184 0.244 -7.917 1.00 0.00 C ATOM 64 CD LYS A 4 -8.691 -0.023 -7.820 1.00 0.00 C ATOM 65 CE LYS A 4 -9.018 -0.401 -6.370 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.439 -0.756 -6.180 1.00 0.00 N ATOM 0 H LYS A 4 -4.974 0.777 -11.551 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.889 1.544 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.274 1.479 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.011 -0.221 -10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.640 -0.637 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.920 1.062 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.254 0.861 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.979 -0.827 -8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.394 -1.243 -6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.766 0.433 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.605 -1.003 -5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.037 0.054 -6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.677 -1.570 -6.782 1.00 0.00 H new ATOM 80 N LEU A 5 -4.130 -0.773 -7.960 1.00 0.00 N ATOM 81 CA LEU A 5 -3.316 -1.896 -7.474 1.00 0.00 C ATOM 82 C LEU A 5 -4.055 -2.651 -6.350 1.00 0.00 C ATOM 83 O LEU A 5 -4.427 -2.052 -5.340 1.00 0.00 O ATOM 84 CB LEU A 5 -1.990 -1.294 -6.964 1.00 0.00 C ATOM 85 CG LEU A 5 -0.799 -2.203 -6.608 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.004 -3.054 -5.358 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.393 -3.111 -7.766 1.00 0.00 C ATOM 0 H LEU A 5 -4.515 -0.230 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.127 -2.620 -8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.643 -0.593 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.224 -0.709 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 5 0.005 -1.499 -6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.117 -3.662 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.174 -2.404 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.868 -3.704 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.451 -3.731 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.233 -3.749 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.106 -2.502 -8.623 1.00 0.00 H new ATOM 99 N ILE A 6 -4.247 -3.961 -6.508 1.00 0.00 N ATOM 100 CA ILE A 6 -4.813 -4.867 -5.491 1.00 0.00 C ATOM 101 C ILE A 6 -3.680 -5.654 -4.821 1.00 0.00 C ATOM 102 O ILE A 6 -2.897 -6.323 -5.500 1.00 0.00 O ATOM 103 CB ILE A 6 -5.841 -5.838 -6.119 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.943 -5.042 -6.850 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.413 -6.787 -5.040 1.00 0.00 C ATOM 106 CD1 ILE A 6 -8.010 -5.904 -7.536 1.00 0.00 C ATOM 0 H ILE A 6 -4.007 -4.443 -7.374 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.333 -4.269 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.346 -6.463 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.433 -4.384 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.475 -4.404 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.135 -7.464 -5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.602 -7.366 -4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.906 -6.201 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.741 -5.259 -8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.537 -6.543 -8.281 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.511 -6.523 -6.792 1.00 0.00 H new ATOM 118 N LEU A 7 -3.609 -5.597 -3.494 1.00 0.00 N ATOM 119 CA LEU A 7 -2.524 -6.157 -2.697 1.00 0.00 C ATOM 120 C LEU A 7 -2.986 -7.383 -1.885 1.00 0.00 C ATOM 121 O LEU A 7 -3.822 -7.288 -0.984 1.00 0.00 O ATOM 122 CB LEU A 7 -1.955 -5.034 -1.814 1.00 0.00 C ATOM 123 CG LEU A 7 -0.758 -5.451 -0.941 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.502 -5.657 -1.780 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.481 -4.375 0.104 1.00 0.00 C ATOM 0 H LEU A 7 -4.327 -5.146 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.733 -6.531 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.651 -4.206 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.748 -4.662 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.014 -6.394 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.327 -5.951 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.324 -6.440 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.755 -4.728 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.367 -4.675 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.252 -3.433 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.360 -4.246 0.736 1.00 0.00 H new ATOM 137 N ASN A 8 -2.413 -8.527 -2.246 1.00 0.00 N ATOM 138 CA ASN A 8 -2.502 -9.784 -1.516 1.00 0.00 C ATOM 139 C ASN A 8 -1.078 -10.231 -1.117 1.00 0.00 C ATOM 140 O ASN A 8 -0.164 -10.249 -1.946 1.00 0.00 O ATOM 141 CB ASN A 8 -3.275 -10.853 -2.299 1.00 0.00 C ATOM 142 CG ASN A 8 -4.434 -10.350 -3.139 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.582 -10.299 -2.715 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.141 -10.028 -4.378 1.00 0.00 N ATOM 0 H ASN A 8 -1.850 -8.605 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.081 -9.635 -0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.576 -11.373 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.657 -11.589 -1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.879 -9.726 -5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.176 -10.080 -4.704 1.00 0.00 H new ATOM 151 N GLY A 9 -0.883 -10.587 0.148 1.00 0.00 N ATOM 152 CA GLY A 9 0.437 -10.946 0.687 1.00 0.00 C ATOM 153 C GLY A 9 0.444 -11.506 2.112 1.00 0.00 C ATOM 154 O GLY A 9 -0.570 -11.498 2.813 1.00 0.00 O ATOM 0 H GLY A 9 -1.634 -10.637 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.891 -11.683 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.072 -10.061 0.661 1.00 0.00 H new ATOM 158 N LYS A 10 1.609 -12.004 2.534 1.00 0.00 N ATOM 159 CA LYS A 10 1.803 -12.701 3.819 1.00 0.00 C ATOM 160 C LYS A 10 1.878 -11.760 5.044 1.00 0.00 C ATOM 161 O LYS A 10 1.629 -12.194 6.172 1.00 0.00 O ATOM 162 CB LYS A 10 3.081 -13.561 3.742 1.00 0.00 C ATOM 163 CG LYS A 10 3.122 -14.583 2.587 1.00 0.00 C ATOM 164 CD LYS A 10 1.931 -15.556 2.515 1.00 0.00 C ATOM 165 CE LYS A 10 1.784 -16.391 3.794 1.00 0.00 C ATOM 166 NZ LYS A 10 0.667 -17.354 3.695 1.00 0.00 N ATOM 0 H LYS A 10 2.465 -11.935 1.984 1.00 0.00 H new ATOM 0 HA LYS A 10 0.920 -13.321 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.940 -12.897 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.195 -14.098 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.179 -14.037 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.039 -15.166 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.014 -14.992 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.060 -16.222 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.712 -16.929 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.619 -15.729 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.600 -17.899 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.223 -16.839 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.837 -18.002 2.900 1.00 0.00 H new ATOM 180 N THR A 11 2.193 -10.478 4.833 1.00 0.00 N ATOM 181 CA THR A 11 2.407 -9.463 5.889 1.00 0.00 C ATOM 182 C THR A 11 1.504 -8.227 5.774 1.00 0.00 C ATOM 183 O THR A 11 1.293 -7.503 6.749 1.00 0.00 O ATOM 184 CB THR A 11 3.851 -8.946 5.832 1.00 0.00 C ATOM 185 OG1 THR A 11 4.226 -8.557 4.526 1.00 0.00 O ATOM 186 CG2 THR A 11 4.865 -9.980 6.321 1.00 0.00 C ATOM 0 H THR A 11 2.312 -10.098 3.894 1.00 0.00 H new ATOM 0 HA THR A 11 2.172 -9.978 6.821 1.00 0.00 H new ATOM 0 HB THR A 11 3.865 -8.082 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.151 -8.233 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.870 -9.562 6.259 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.645 -10.244 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.804 -10.872 5.698 1.00 0.00 H new ATOM 194 N LEU A 12 0.936 -7.998 4.592 1.00 0.00 N ATOM 195 CA LEU A 12 0.042 -6.877 4.292 1.00 0.00 C ATOM 196 C LEU A 12 -0.957 -7.237 3.177 1.00 0.00 C ATOM 197 O LEU A 12 -0.620 -7.965 2.240 1.00 0.00 O ATOM 198 CB LEU A 12 0.910 -5.659 3.904 1.00 0.00 C ATOM 199 CG LEU A 12 0.203 -4.297 3.997 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.106 -3.930 5.445 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.091 -3.185 3.445 1.00 0.00 C ATOM 0 H LEU A 12 1.089 -8.607 3.788 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.555 -6.636 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.789 -5.639 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.266 -5.797 2.883 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.717 -4.388 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.606 -2.962 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.756 -4.688 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.823 -3.877 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.569 -2.231 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.016 -3.140 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.322 -3.389 2.400 1.00 0.00 H new ATOM 213 N LYS A 13 -2.173 -6.699 3.261 1.00 0.00 N ATOM 214 CA LYS A 13 -3.209 -6.787 2.222 1.00 0.00 C ATOM 215 C LYS A 13 -3.914 -5.426 2.065 1.00 0.00 C ATOM 216 O LYS A 13 -3.902 -4.628 3.001 1.00 0.00 O ATOM 217 CB LYS A 13 -4.228 -7.883 2.584 1.00 0.00 C ATOM 218 CG LYS A 13 -3.598 -9.281 2.704 1.00 0.00 C ATOM 219 CD LYS A 13 -4.659 -10.359 2.964 1.00 0.00 C ATOM 220 CE LYS A 13 -3.988 -11.728 3.121 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.974 -12.794 3.393 1.00 0.00 N ATOM 0 H LYS A 13 -2.478 -6.172 4.079 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.741 -7.048 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.708 -7.626 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.010 -7.908 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.056 -9.516 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.869 -9.284 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.223 -10.116 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.371 -10.386 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.435 -11.968 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.264 -11.687 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.482 -13.705 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.485 -12.578 4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.650 -12.851 2.605 1.00 0.00 H new ATOM 235 N GLY A 14 -4.519 -5.124 0.915 1.00 0.00 N ATOM 236 CA GLY A 14 -5.155 -3.810 0.686 1.00 0.00 C ATOM 237 C GLY A 14 -5.436 -3.434 -0.773 1.00 0.00 C ATOM 238 O GLY A 14 -5.396 -4.281 -1.668 1.00 0.00 O ATOM 0 H GLY A 14 -4.586 -5.765 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.098 -3.787 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.516 -3.041 1.120 1.00 0.00 H new ATOM 242 N GLU A 15 -5.692 -2.141 -1.010 1.00 0.00 N ATOM 243 CA GLU A 15 -5.821 -1.524 -2.350 1.00 0.00 C ATOM 244 C GLU A 15 -5.254 -0.104 -2.402 1.00 0.00 C ATOM 245 O GLU A 15 -5.429 0.682 -1.468 1.00 0.00 O ATOM 246 CB GLU A 15 -7.283 -1.435 -2.821 1.00 0.00 C ATOM 247 CG GLU A 15 -7.976 -2.788 -2.985 1.00 0.00 C ATOM 248 CD GLU A 15 -9.304 -2.640 -3.719 1.00 0.00 C ATOM 249 OE1 GLU A 15 -10.055 -1.676 -3.449 1.00 0.00 O ATOM 250 OE2 GLU A 15 -9.594 -3.480 -4.597 1.00 0.00 O ATOM 0 H GLU A 15 -5.820 -1.468 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.251 -2.183 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.847 -0.836 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.314 -0.907 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.326 -3.468 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.146 -3.234 -2.005 1.00 0.00 H new ATOM 257 N THR A 16 -4.612 0.228 -3.521 1.00 0.00 N ATOM 258 CA THR A 16 -4.029 1.559 -3.784 1.00 0.00 C ATOM 259 C THR A 16 -4.269 2.064 -5.216 1.00 0.00 C ATOM 260 O THR A 16 -4.578 1.291 -6.124 1.00 0.00 O ATOM 261 CB THR A 16 -2.518 1.631 -3.460 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.727 1.103 -4.491 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.090 0.888 -2.196 1.00 0.00 C ATOM 0 H THR A 16 -4.476 -0.428 -4.290 1.00 0.00 H new ATOM 0 HA THR A 16 -4.563 2.220 -3.101 1.00 0.00 H new ATOM 0 HB THR A 16 -2.362 2.701 -3.322 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.086 0.463 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.015 0.998 -2.056 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.613 1.304 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.337 -0.169 -2.294 1.00 0.00 H new ATOM 271 N THR A 17 -4.141 3.375 -5.421 1.00 0.00 N ATOM 272 CA THR A 17 -4.496 4.080 -6.666 1.00 0.00 C ATOM 273 C THR A 17 -3.509 5.223 -6.948 1.00 0.00 C ATOM 274 O THR A 17 -3.091 5.935 -6.025 1.00 0.00 O ATOM 275 CB THR A 17 -5.924 4.675 -6.575 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.835 3.818 -5.914 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.539 4.980 -7.938 1.00 0.00 C ATOM 0 H THR A 17 -3.775 4.002 -4.704 1.00 0.00 H new ATOM 0 HA THR A 17 -4.453 3.350 -7.474 1.00 0.00 H new ATOM 0 HB THR A 17 -5.778 5.596 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.718 4.241 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.538 5.394 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.916 5.702 -8.465 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.603 4.062 -8.522 1.00 0.00 H new ATOM 285 N THR A 18 -3.139 5.428 -8.217 1.00 0.00 N ATOM 286 CA THR A 18 -2.222 6.483 -8.691 1.00 0.00 C ATOM 287 C THR A 18 -2.657 6.993 -10.081 1.00 0.00 C ATOM 288 O THR A 18 -3.486 6.370 -10.747 1.00 0.00 O ATOM 289 CB THR A 18 -0.769 5.949 -8.777 1.00 0.00 C ATOM 290 OG1 THR A 18 0.152 7.008 -8.890 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.511 5.011 -9.964 1.00 0.00 C ATOM 0 H THR A 18 -3.482 4.841 -8.978 1.00 0.00 H new ATOM 0 HA THR A 18 -2.260 7.304 -7.975 1.00 0.00 H new ATOM 0 HB THR A 18 -0.636 5.387 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.506 7.230 -8.003 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.529 4.684 -9.950 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.166 4.143 -9.891 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.712 5.540 -10.896 1.00 0.00 H new ATOM 299 N GLU A 19 -2.117 8.127 -10.531 1.00 0.00 N ATOM 300 CA GLU A 19 -2.263 8.666 -11.903 1.00 0.00 C ATOM 301 C GLU A 19 -0.911 8.737 -12.603 1.00 0.00 C ATOM 302 O GLU A 19 0.053 9.284 -12.062 1.00 0.00 O ATOM 303 CB GLU A 19 -2.991 10.021 -11.913 1.00 0.00 C ATOM 304 CG GLU A 19 -2.971 10.687 -13.292 1.00 0.00 C ATOM 305 CD GLU A 19 -4.213 11.527 -13.538 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.466 12.481 -12.769 1.00 0.00 O ATOM 307 OE2 GLU A 19 -4.908 11.234 -14.539 1.00 0.00 O ATOM 0 H GLU A 19 -1.543 8.724 -9.936 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.890 7.976 -12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.024 9.877 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.525 10.686 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.085 11.316 -13.378 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.893 9.921 -14.063 1.00 0.00 H new ATOM 314 N ALA A 20 -0.839 8.153 -13.799 1.00 0.00 N ATOM 315 CA ALA A 20 0.354 8.047 -14.617 1.00 0.00 C ATOM 316 C ALA A 20 0.057 8.363 -16.094 1.00 0.00 C ATOM 317 O ALA A 20 -1.102 8.406 -16.527 1.00 0.00 O ATOM 318 CB ALA A 20 0.888 6.627 -14.467 1.00 0.00 C ATOM 0 H ALA A 20 -1.653 7.723 -14.238 1.00 0.00 H new ATOM 0 HA ALA A 20 1.095 8.775 -14.286 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.788 6.511 -15.071 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.126 6.436 -13.420 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.132 5.917 -14.802 1.00 0.00 H new ATOM 324 N VAL A 21 1.127 8.544 -16.864 1.00 0.00 N ATOM 325 CA VAL A 21 1.015 8.737 -18.326 1.00 0.00 C ATOM 326 C VAL A 21 0.537 7.446 -19.013 1.00 0.00 C ATOM 327 O VAL A 21 -0.372 7.487 -19.848 1.00 0.00 O ATOM 328 CB VAL A 21 2.308 9.312 -18.933 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.534 8.466 -18.596 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.216 9.511 -20.450 1.00 0.00 C ATOM 0 H VAL A 21 2.084 8.563 -16.511 1.00 0.00 H new ATOM 0 HA VAL A 21 0.250 9.491 -18.513 1.00 0.00 H new ATOM 0 HB VAL A 21 2.427 10.293 -18.472 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.420 8.913 -19.047 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.660 8.423 -17.514 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.398 7.457 -18.986 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.156 9.918 -20.821 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.020 8.553 -20.931 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.406 10.203 -20.678 1.00 0.00 H new ATOM 340 N ASP A 22 1.078 6.290 -18.604 1.00 0.00 N ATOM 341 CA ASP A 22 0.763 4.964 -19.153 1.00 0.00 C ATOM 342 C ASP A 22 0.908 3.836 -18.118 1.00 0.00 C ATOM 343 O ASP A 22 1.463 4.015 -17.030 1.00 0.00 O ATOM 344 CB ASP A 22 1.666 4.700 -20.385 1.00 0.00 C ATOM 345 CG ASP A 22 3.192 4.812 -20.155 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.669 4.599 -19.014 1.00 0.00 O ATOM 347 OD2 ASP A 22 3.917 5.115 -21.134 1.00 0.00 O ATOM 0 H ASP A 22 1.771 6.251 -17.856 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.286 4.966 -19.450 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.449 3.700 -20.760 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.386 5.402 -21.171 1.00 0.00 H new ATOM 352 N ALA A 23 0.402 2.662 -18.490 1.00 0.00 N ATOM 353 CA ALA A 23 0.432 1.447 -17.680 1.00 0.00 C ATOM 354 C ALA A 23 1.850 1.060 -17.218 1.00 0.00 C ATOM 355 O ALA A 23 2.008 0.506 -16.140 1.00 0.00 O ATOM 356 CB ALA A 23 -0.217 0.304 -18.470 1.00 0.00 C ATOM 0 H ALA A 23 -0.054 2.526 -19.392 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.132 1.642 -16.768 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.199 -0.607 -17.872 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.249 0.564 -18.704 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.335 0.142 -19.396 1.00 0.00 H new ATOM 362 N ALA A 24 2.893 1.383 -17.987 1.00 0.00 N ATOM 363 CA ALA A 24 4.275 1.097 -17.641 1.00 0.00 C ATOM 364 C ALA A 24 4.788 2.053 -16.552 1.00 0.00 C ATOM 365 O ALA A 24 5.462 1.620 -15.621 1.00 0.00 O ATOM 366 CB ALA A 24 5.145 1.153 -18.901 1.00 0.00 C ATOM 0 H ALA A 24 2.791 1.859 -18.883 1.00 0.00 H new ATOM 0 HA ALA A 24 4.333 0.090 -17.227 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.181 0.938 -18.638 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.792 0.413 -19.620 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.082 2.147 -19.343 1.00 0.00 H new ATOM 372 N THR A 25 4.417 3.335 -16.586 1.00 0.00 N ATOM 373 CA THR A 25 4.668 4.302 -15.505 1.00 0.00 C ATOM 374 C THR A 25 3.883 3.962 -14.231 1.00 0.00 C ATOM 375 O THR A 25 4.472 3.885 -13.155 1.00 0.00 O ATOM 376 CB THR A 25 4.346 5.722 -15.986 1.00 0.00 C ATOM 377 OG1 THR A 25 5.030 6.002 -17.187 1.00 0.00 O ATOM 378 CG2 THR A 25 4.746 6.798 -14.973 1.00 0.00 C ATOM 0 H THR A 25 3.923 3.742 -17.380 1.00 0.00 H new ATOM 0 HA THR A 25 5.725 4.246 -15.247 1.00 0.00 H new ATOM 0 HB THR A 25 3.265 5.750 -16.126 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.537 5.617 -17.941 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.494 7.782 -15.369 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.210 6.635 -14.038 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.819 6.745 -14.790 1.00 0.00 H new ATOM 386 N ALA A 26 2.581 3.668 -14.318 1.00 0.00 N ATOM 387 CA ALA A 26 1.795 3.233 -13.152 1.00 0.00 C ATOM 388 C ALA A 26 2.279 1.897 -12.543 1.00 0.00 C ATOM 389 O ALA A 26 2.354 1.768 -11.321 1.00 0.00 O ATOM 390 CB ALA A 26 0.323 3.135 -13.548 1.00 0.00 C ATOM 0 H ALA A 26 2.046 3.723 -15.185 1.00 0.00 H new ATOM 0 HA ALA A 26 1.933 3.983 -12.373 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.264 2.813 -12.688 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.029 4.110 -13.883 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.211 2.411 -14.355 1.00 0.00 H new ATOM 396 N GLU A 27 2.718 0.967 -13.403 1.00 0.00 N ATOM 397 CA GLU A 27 3.399 -0.279 -12.982 1.00 0.00 C ATOM 398 C GLU A 27 4.723 0.035 -12.301 1.00 0.00 C ATOM 399 O GLU A 27 5.029 -0.556 -11.268 1.00 0.00 O ATOM 400 CB GLU A 27 3.657 -1.271 -14.130 1.00 0.00 C ATOM 401 CG GLU A 27 4.061 -2.655 -13.613 1.00 0.00 C ATOM 402 CD GLU A 27 4.561 -3.534 -14.749 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.734 -4.020 -15.550 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.790 -3.765 -14.808 1.00 0.00 O ATOM 0 H GLU A 27 2.614 1.052 -14.414 1.00 0.00 H new ATOM 0 HA GLU A 27 2.710 -0.760 -12.287 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.759 -1.360 -14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.444 -0.881 -14.776 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.840 -2.552 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.208 -3.130 -13.129 1.00 0.00 H new ATOM 411 N LYS A 28 5.492 1.000 -12.811 1.00 0.00 N ATOM 412 CA LYS A 28 6.736 1.427 -12.151 1.00 0.00 C ATOM 413 C LYS A 28 6.476 2.049 -10.762 1.00 0.00 C ATOM 414 O LYS A 28 7.087 1.613 -9.783 1.00 0.00 O ATOM 415 CB LYS A 28 7.488 2.373 -13.105 1.00 0.00 C ATOM 416 CG LYS A 28 8.808 2.921 -12.545 1.00 0.00 C ATOM 417 CD LYS A 28 9.595 3.723 -13.597 1.00 0.00 C ATOM 418 CE LYS A 28 8.836 4.961 -14.096 1.00 0.00 C ATOM 419 NZ LYS A 28 9.619 5.726 -15.089 1.00 0.00 N ATOM 0 H LYS A 28 5.280 1.500 -13.674 1.00 0.00 H new ATOM 0 HA LYS A 28 7.363 0.559 -11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.694 1.843 -14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.837 3.211 -13.354 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.600 3.558 -11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.421 2.094 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.548 4.035 -13.170 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.822 3.076 -14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.890 4.652 -14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.596 5.605 -13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.071 6.553 -15.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.511 6.043 -14.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.827 5.120 -15.908 1.00 0.00 H new ATOM 433 N VAL A 29 5.534 2.994 -10.625 1.00 0.00 N ATOM 434 CA VAL A 29 5.153 3.575 -9.317 1.00 0.00 C ATOM 435 C VAL A 29 4.688 2.490 -8.337 1.00 0.00 C ATOM 436 O VAL A 29 5.213 2.393 -7.227 1.00 0.00 O ATOM 437 CB VAL A 29 4.061 4.655 -9.488 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.530 5.196 -8.154 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.603 5.860 -10.274 1.00 0.00 C ATOM 0 H VAL A 29 5.013 3.380 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 29 6.041 4.048 -8.898 1.00 0.00 H new ATOM 0 HB VAL A 29 3.251 4.158 -10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.767 5.950 -8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.097 4.379 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.349 5.643 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.817 6.607 -10.382 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.446 6.295 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.931 5.533 -11.261 1.00 0.00 H new ATOM 449 N PHE A 30 3.763 1.624 -8.756 1.00 0.00 N ATOM 450 CA PHE A 30 3.315 0.522 -7.905 1.00 0.00 C ATOM 451 C PHE A 30 4.445 -0.455 -7.522 1.00 0.00 C ATOM 452 O PHE A 30 4.508 -0.898 -6.374 1.00 0.00 O ATOM 453 CB PHE A 30 2.171 -0.249 -8.565 1.00 0.00 C ATOM 454 CG PHE A 30 0.869 0.509 -8.780 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.334 1.342 -7.774 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.162 0.340 -9.986 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.898 1.991 -7.975 1.00 0.00 C ATOM 458 CE2 PHE A 30 -1.066 0.992 -10.185 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.601 1.807 -9.175 1.00 0.00 C ATOM 0 H PHE A 30 3.314 1.664 -9.671 1.00 0.00 H new ATOM 0 HA PHE A 30 2.964 0.985 -6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.518 -0.610 -9.533 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.957 -1.127 -7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.872 1.482 -6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.566 -0.294 -10.762 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.303 2.631 -7.205 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.599 0.866 -11.116 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.554 2.293 -9.322 1.00 0.00 H new ATOM 469 N LYS A 31 5.378 -0.741 -8.435 1.00 0.00 N ATOM 470 CA LYS A 31 6.555 -1.557 -8.111 1.00 0.00 C ATOM 471 C LYS A 31 7.528 -0.870 -7.139 1.00 0.00 C ATOM 472 O LYS A 31 8.265 -1.550 -6.420 1.00 0.00 O ATOM 473 CB LYS A 31 7.282 -2.026 -9.378 1.00 0.00 C ATOM 474 CG LYS A 31 6.536 -3.226 -9.972 1.00 0.00 C ATOM 475 CD LYS A 31 7.207 -3.752 -11.240 1.00 0.00 C ATOM 476 CE LYS A 31 6.479 -5.026 -11.683 1.00 0.00 C ATOM 477 NZ LYS A 31 6.997 -5.540 -12.965 1.00 0.00 N ATOM 0 H LYS A 31 5.343 -0.421 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 31 6.171 -2.434 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.329 -1.216 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.309 -2.302 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.487 -4.024 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.510 -2.938 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.169 -3.000 -12.028 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.260 -3.963 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.588 -5.792 -10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.413 -4.820 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.712 -6.534 -13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.609 -4.975 -13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.035 -5.474 -12.971 1.00 0.00 H new ATOM 491 N GLN A 32 7.538 0.462 -7.041 1.00 0.00 N ATOM 492 CA GLN A 32 8.332 1.188 -6.035 1.00 0.00 C ATOM 493 C GLN A 32 7.817 0.996 -4.591 1.00 0.00 C ATOM 494 O GLN A 32 8.625 0.875 -3.669 1.00 0.00 O ATOM 495 CB GLN A 32 8.383 2.686 -6.415 1.00 0.00 C ATOM 496 CG GLN A 32 9.768 3.157 -6.875 1.00 0.00 C ATOM 497 CD GLN A 32 10.083 2.734 -8.295 1.00 0.00 C ATOM 498 OE1 GLN A 32 9.887 3.487 -9.240 1.00 0.00 O ATOM 499 NE2 GLN A 32 10.601 1.540 -8.491 1.00 0.00 N ATOM 0 H GLN A 32 6.997 1.071 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 32 9.337 0.767 -6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.662 2.875 -7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.073 3.281 -5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.821 4.243 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.526 2.755 -6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.762 0.918 -7.699 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.842 1.237 -9.435 1.00 0.00 H new ATOM 508 N TYR A 33 6.497 0.934 -4.377 1.00 0.00 N ATOM 509 CA TYR A 33 5.882 0.628 -3.064 1.00 0.00 C ATOM 510 C TYR A 33 5.705 -0.884 -2.774 1.00 0.00 C ATOM 511 O TYR A 33 5.639 -1.286 -1.612 1.00 0.00 O ATOM 512 CB TYR A 33 4.510 1.310 -2.974 1.00 0.00 C ATOM 513 CG TYR A 33 4.520 2.816 -2.777 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.632 3.690 -3.878 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.309 3.346 -1.488 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.486 5.079 -3.697 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.162 4.732 -1.310 1.00 0.00 C ATOM 518 CZ TYR A 33 4.230 5.595 -2.415 1.00 0.00 C ATOM 519 OH TYR A 33 4.030 6.928 -2.232 1.00 0.00 O ATOM 0 H TYR A 33 5.811 1.096 -5.115 1.00 0.00 H new ATOM 0 HA TYR A 33 6.576 1.008 -2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.957 1.088 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.958 0.860 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.830 3.293 -4.863 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.260 2.685 -0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.571 5.746 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.996 5.134 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 33 3.948 7.369 -3.103 1.00 0.00 H new ATOM 529 N PHE A 34 5.639 -1.702 -3.826 1.00 0.00 N ATOM 530 CA PHE A 34 5.322 -3.143 -3.761 1.00 0.00 C ATOM 531 C PHE A 34 6.379 -3.993 -4.489 1.00 0.00 C ATOM 532 O PHE A 34 6.526 -3.927 -5.708 1.00 0.00 O ATOM 533 CB PHE A 34 3.875 -3.382 -4.223 1.00 0.00 C ATOM 534 CG PHE A 34 2.877 -2.564 -3.415 1.00 0.00 C ATOM 535 CD1 PHE A 34 2.733 -2.804 -2.034 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.180 -1.492 -4.007 1.00 0.00 C ATOM 537 CE1 PHE A 34 1.920 -1.970 -1.248 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.364 -0.660 -3.221 1.00 0.00 C ATOM 539 CZ PHE A 34 1.238 -0.894 -1.840 1.00 0.00 C ATOM 0 H PHE A 34 5.808 -1.377 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 34 5.372 -3.482 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.784 -3.125 -5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.635 -4.441 -4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.251 -3.634 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.273 -1.309 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.819 -2.156 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.832 0.161 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.618 -0.248 -1.236 1.00 0.00 H new ATOM 549 N ASN A 35 7.154 -4.767 -3.722 1.00 0.00 N ATOM 550 CA ASN A 35 8.357 -5.500 -4.143 1.00 0.00 C ATOM 551 C ASN A 35 8.832 -6.439 -2.996 1.00 0.00 C ATOM 552 O ASN A 35 8.045 -6.795 -2.114 1.00 0.00 O ATOM 553 CB ASN A 35 9.434 -4.478 -4.581 1.00 0.00 C ATOM 554 CG ASN A 35 9.726 -3.418 -3.529 1.00 0.00 C ATOM 555 OD1 ASN A 35 10.195 -3.707 -2.435 1.00 0.00 O ATOM 556 ND2 ASN A 35 9.454 -2.167 -3.833 1.00 0.00 N ATOM 0 H ASN A 35 6.948 -4.908 -2.733 1.00 0.00 H new ATOM 0 HA ASN A 35 8.146 -6.142 -4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.356 -5.011 -4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.108 -3.988 -5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.634 -1.427 -3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.064 -1.938 -4.747 1.00 0.00 H new ATOM 563 N ASP A 36 10.118 -6.810 -2.954 1.00 0.00 N ATOM 564 CA ASP A 36 10.808 -7.584 -1.896 1.00 0.00 C ATOM 565 C ASP A 36 10.684 -7.063 -0.444 1.00 0.00 C ATOM 566 O ASP A 36 11.137 -7.726 0.491 1.00 0.00 O ATOM 567 CB ASP A 36 12.308 -7.643 -2.234 1.00 0.00 C ATOM 568 CG ASP A 36 12.654 -8.193 -3.633 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.458 -7.461 -4.634 1.00 0.00 O ATOM 570 OD2 ASP A 36 13.162 -9.337 -3.723 1.00 0.00 O ATOM 0 H ASP A 36 10.756 -6.563 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 36 10.303 -8.550 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.722 -6.639 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.807 -8.260 -1.487 1.00 0.00 H new ATOM 575 N ASN A 37 10.080 -5.892 -0.249 1.00 0.00 N ATOM 576 CA ASN A 37 9.734 -5.376 1.080 1.00 0.00 C ATOM 577 C ASN A 37 8.748 -6.298 1.839 1.00 0.00 C ATOM 578 O ASN A 37 8.867 -6.486 3.053 1.00 0.00 O ATOM 579 CB ASN A 37 9.255 -3.919 0.975 1.00 0.00 C ATOM 580 CG ASN A 37 8.023 -3.638 0.127 1.00 0.00 C ATOM 581 OD1 ASN A 37 7.350 -4.516 -0.397 1.00 0.00 O ATOM 582 ND2 ASN A 37 7.704 -2.373 -0.022 1.00 0.00 N ATOM 0 H ASN A 37 9.814 -5.269 -1.011 1.00 0.00 H new ATOM 0 HA ASN A 37 10.636 -5.377 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.057 -3.558 1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.078 -3.323 0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.889 -2.115 -0.578 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.271 -1.649 0.419 1.00 0.00 H new ATOM 589 N GLY A 38 7.820 -6.916 1.105 1.00 0.00 N ATOM 590 CA GLY A 38 6.861 -7.886 1.654 1.00 0.00 C ATOM 591 C GLY A 38 5.959 -8.603 0.642 1.00 0.00 C ATOM 592 O GLY A 38 5.157 -9.449 1.043 1.00 0.00 O ATOM 0 H GLY A 38 7.709 -6.758 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.419 -8.641 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.225 -7.368 2.372 1.00 0.00 H new ATOM 596 N VAL A 39 6.110 -8.301 -0.650 1.00 0.00 N ATOM 597 CA VAL A 39 5.391 -8.938 -1.769 1.00 0.00 C ATOM 598 C VAL A 39 6.293 -9.234 -2.970 1.00 0.00 C ATOM 599 O VAL A 39 6.149 -8.698 -4.073 1.00 0.00 O ATOM 600 CB VAL A 39 4.100 -8.217 -2.194 1.00 0.00 C ATOM 601 CG1 VAL A 39 2.958 -8.560 -1.239 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.261 -6.701 -2.323 1.00 0.00 C ATOM 0 H VAL A 39 6.760 -7.580 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 39 5.069 -9.896 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 39 3.859 -8.581 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.052 -8.042 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.784 -9.636 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.222 -8.247 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.312 -6.259 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.566 -6.284 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.020 -6.478 -3.073 1.00 0.00 H new ATOM 612 N ASP A 40 7.242 -10.139 -2.735 1.00 0.00 N ATOM 613 CA ASP A 40 8.111 -10.782 -3.748 1.00 0.00 C ATOM 614 C ASP A 40 7.287 -11.853 -4.507 1.00 0.00 C ATOM 615 O ASP A 40 7.662 -13.021 -4.633 1.00 0.00 O ATOM 616 CB ASP A 40 9.357 -11.382 -3.061 1.00 0.00 C ATOM 617 CG ASP A 40 10.381 -12.017 -4.034 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.515 -11.547 -5.191 1.00 0.00 O ATOM 619 OD2 ASP A 40 11.069 -12.986 -3.627 1.00 0.00 O ATOM 0 H ASP A 40 7.444 -10.467 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 40 8.464 -10.049 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.855 -10.598 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.034 -12.140 -2.348 1.00 0.00 H new ATOM 624 N GLY A 41 6.097 -11.442 -4.945 1.00 0.00 N ATOM 625 CA GLY A 41 5.029 -12.272 -5.494 1.00 0.00 C ATOM 626 C GLY A 41 4.759 -12.171 -6.988 1.00 0.00 C ATOM 627 O GLY A 41 5.543 -11.626 -7.772 1.00 0.00 O ATOM 0 H GLY A 41 5.838 -10.456 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.259 -13.312 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.107 -12.025 -4.968 1.00 0.00 H new ATOM 631 N GLU A 42 3.610 -12.735 -7.365 1.00 0.00 N ATOM 632 CA GLU A 42 3.052 -12.705 -8.725 1.00 0.00 C ATOM 633 C GLU A 42 2.582 -11.298 -9.113 1.00 0.00 C ATOM 634 O GLU A 42 2.133 -10.529 -8.264 1.00 0.00 O ATOM 635 CB GLU A 42 1.911 -13.733 -8.835 1.00 0.00 C ATOM 636 CG GLU A 42 1.386 -13.991 -10.249 1.00 0.00 C ATOM 637 CD GLU A 42 2.490 -14.488 -11.172 1.00 0.00 C ATOM 638 OE1 GLU A 42 3.156 -13.634 -11.797 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.679 -15.722 -11.273 1.00 0.00 O ATOM 0 H GLU A 42 3.018 -13.245 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 42 3.837 -12.975 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.257 -14.679 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.081 -13.395 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.583 -14.727 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.959 -13.073 -10.653 1.00 0.00 H new ATOM 646 N TRP A 43 2.722 -11.000 -10.403 1.00 0.00 N ATOM 647 CA TRP A 43 2.147 -9.800 -11.036 1.00 0.00 C ATOM 648 C TRP A 43 1.182 -10.103 -12.196 1.00 0.00 C ATOM 649 O TRP A 43 1.473 -10.932 -13.061 1.00 0.00 O ATOM 650 CB TRP A 43 3.240 -8.786 -11.410 1.00 0.00 C ATOM 651 CG TRP A 43 3.743 -7.947 -10.266 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.526 -8.389 -9.255 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.487 -6.531 -9.972 1.00 0.00 C ATOM 654 NE1 TRP A 43 4.764 -7.367 -8.358 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.147 -6.200 -8.747 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.762 -5.491 -10.604 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.081 -4.922 -8.176 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.704 -4.197 -10.044 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.359 -3.914 -8.833 1.00 0.00 C ATOM 0 H TRP A 43 3.244 -11.589 -11.052 1.00 0.00 H new ATOM 0 HA TRP A 43 1.516 -9.332 -10.281 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.082 -9.325 -11.844 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.852 -8.124 -12.184 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.909 -9.395 -9.163 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.327 -7.465 -7.513 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.245 -5.692 -11.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.580 -4.715 -7.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.152 -3.418 -10.550 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.307 -2.922 -8.409 1.00 0.00 H new ATOM 670 N THR A 44 0.020 -9.447 -12.204 1.00 0.00 N ATOM 671 CA THR A 44 -0.915 -9.449 -13.345 1.00 0.00 C ATOM 672 C THR A 44 -1.519 -8.059 -13.578 1.00 0.00 C ATOM 673 O THR A 44 -1.458 -7.194 -12.696 1.00 0.00 O ATOM 674 CB THR A 44 -2.013 -10.513 -13.204 1.00 0.00 C ATOM 675 OG1 THR A 44 -2.559 -10.851 -14.459 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.145 -10.098 -12.276 1.00 0.00 C ATOM 0 H THR A 44 -0.307 -8.892 -11.413 1.00 0.00 H new ATOM 0 HA THR A 44 -0.329 -9.714 -14.225 1.00 0.00 H new ATOM 0 HB THR A 44 -1.518 -11.377 -12.761 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.254 -11.531 -14.341 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.884 -10.897 -12.224 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.747 -9.906 -11.280 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.616 -9.193 -12.659 1.00 0.00 H new ATOM 684 N TYR A 45 -2.160 -7.859 -14.728 1.00 0.00 N ATOM 685 CA TYR A 45 -2.845 -6.616 -15.105 1.00 0.00 C ATOM 686 C TYR A 45 -4.048 -6.857 -16.038 1.00 0.00 C ATOM 687 O TYR A 45 -3.973 -7.658 -16.975 1.00 0.00 O ATOM 688 CB TYR A 45 -1.808 -5.721 -15.788 1.00 0.00 C ATOM 689 CG TYR A 45 -2.333 -4.428 -16.390 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.805 -3.397 -15.557 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.325 -4.240 -17.787 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.264 -2.188 -16.110 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.777 -3.027 -18.339 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.249 -2.004 -17.501 1.00 0.00 C ATOM 695 OH TYR A 45 -3.699 -0.837 -18.034 1.00 0.00 O ATOM 0 H TYR A 45 -2.221 -8.578 -15.449 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.254 -6.146 -14.211 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.037 -5.472 -15.059 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.326 -6.296 -16.578 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.815 -3.535 -14.486 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.971 -5.028 -18.435 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.628 -1.402 -15.465 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.761 -2.883 -19.409 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.147 -1.018 -18.887 1.00 0.00 H new ATOM 705 N ASP A 46 -5.140 -6.124 -15.799 1.00 0.00 N ATOM 706 CA ASP A 46 -6.360 -6.059 -16.619 1.00 0.00 C ATOM 707 C ASP A 46 -6.571 -4.635 -17.145 1.00 0.00 C ATOM 708 O ASP A 46 -7.039 -3.751 -16.417 1.00 0.00 O ATOM 709 CB ASP A 46 -7.579 -6.527 -15.800 1.00 0.00 C ATOM 710 CG ASP A 46 -7.564 -8.034 -15.472 1.00 0.00 C ATOM 711 OD1 ASP A 46 -7.916 -8.847 -16.363 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.232 -8.406 -14.321 1.00 0.00 O ATOM 0 H ASP A 46 -5.202 -5.522 -14.978 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.246 -6.726 -17.474 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.619 -5.962 -14.869 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.489 -6.294 -16.353 1.00 0.00 H new ATOM 717 N ASP A 47 -6.228 -4.394 -18.415 1.00 0.00 N ATOM 718 CA ASP A 47 -6.337 -3.077 -19.066 1.00 0.00 C ATOM 719 C ASP A 47 -7.776 -2.558 -19.170 1.00 0.00 C ATOM 720 O ASP A 47 -8.023 -1.364 -19.020 1.00 0.00 O ATOM 721 CB ASP A 47 -5.697 -3.167 -20.463 1.00 0.00 C ATOM 722 CG ASP A 47 -5.477 -1.784 -21.098 1.00 0.00 C ATOM 723 OD1 ASP A 47 -4.662 -1.002 -20.552 1.00 0.00 O ATOM 724 OD2 ASP A 47 -6.125 -1.467 -22.123 1.00 0.00 O ATOM 0 H ASP A 47 -5.861 -5.118 -19.032 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.810 -2.357 -18.440 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.741 -3.686 -20.389 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.335 -3.765 -21.114 1.00 0.00 H new ATOM 729 N ALA A 48 -8.732 -3.473 -19.339 1.00 0.00 N ATOM 730 CA ALA A 48 -10.173 -3.192 -19.410 1.00 0.00 C ATOM 731 C ALA A 48 -10.736 -2.408 -18.199 1.00 0.00 C ATOM 732 O ALA A 48 -11.798 -1.785 -18.294 1.00 0.00 O ATOM 733 CB ALA A 48 -10.913 -4.524 -19.587 1.00 0.00 C ATOM 0 H ALA A 48 -8.520 -4.466 -19.434 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.333 -2.532 -20.263 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.986 -4.340 -19.642 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.580 -5.006 -20.506 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.700 -5.174 -18.739 1.00 0.00 H new ATOM 739 N THR A 49 -10.020 -2.425 -17.072 1.00 0.00 N ATOM 740 CA THR A 49 -10.318 -1.669 -15.843 1.00 0.00 C ATOM 741 C THR A 49 -9.115 -0.854 -15.313 1.00 0.00 C ATOM 742 O THR A 49 -9.190 -0.309 -14.209 1.00 0.00 O ATOM 743 CB THR A 49 -10.895 -2.625 -14.773 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.262 -1.961 -13.581 1.00 0.00 O ATOM 745 CG2 THR A 49 -9.951 -3.780 -14.422 1.00 0.00 C ATOM 0 H THR A 49 -9.176 -2.991 -16.983 1.00 0.00 H new ATOM 0 HA THR A 49 -11.070 -0.920 -16.091 1.00 0.00 H new ATOM 0 HB THR A 49 -11.790 -3.035 -15.240 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.675 -1.188 -13.443 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.416 -4.413 -13.666 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.750 -4.370 -15.316 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.015 -3.379 -14.034 1.00 0.00 H new ATOM 753 N LYS A 50 -8.007 -0.748 -16.063 1.00 0.00 N ATOM 754 CA LYS A 50 -6.736 -0.150 -15.619 1.00 0.00 C ATOM 755 C LYS A 50 -6.285 -0.595 -14.203 1.00 0.00 C ATOM 756 O LYS A 50 -5.892 0.227 -13.368 1.00 0.00 O ATOM 757 CB LYS A 50 -6.793 1.383 -15.795 1.00 0.00 C ATOM 758 CG LYS A 50 -7.182 1.865 -17.206 1.00 0.00 C ATOM 759 CD LYS A 50 -6.231 1.362 -18.298 1.00 0.00 C ATOM 760 CE LYS A 50 -6.596 1.951 -19.664 1.00 0.00 C ATOM 761 NZ LYS A 50 -5.573 1.650 -20.684 1.00 0.00 N ATOM 0 H LYS A 50 -7.969 -1.086 -17.025 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.947 -0.539 -16.263 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.508 1.789 -15.079 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.818 1.799 -15.542 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.194 1.529 -17.432 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.197 2.955 -17.220 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.206 1.633 -18.044 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.271 0.274 -18.346 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.558 1.552 -19.986 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.712 3.031 -19.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.978 1.786 -21.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.761 2.287 -20.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.259 0.664 -20.580 1.00 0.00 H new ATOM 775 N THR A 51 -6.341 -1.906 -13.933 1.00 0.00 N ATOM 776 CA THR A 51 -6.048 -2.470 -12.594 1.00 0.00 C ATOM 777 C THR A 51 -4.970 -3.559 -12.635 1.00 0.00 C ATOM 778 O THR A 51 -4.992 -4.457 -13.477 1.00 0.00 O ATOM 779 CB THR A 51 -7.308 -3.019 -11.888 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.334 -2.055 -11.830 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.057 -3.444 -10.436 1.00 0.00 C ATOM 0 H THR A 51 -6.589 -2.609 -14.629 1.00 0.00 H new ATOM 0 HA THR A 51 -5.668 -1.629 -12.013 1.00 0.00 H new ATOM 0 HB THR A 51 -7.592 -3.882 -12.489 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.525 -1.726 -12.733 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.983 -3.819 -10.001 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.301 -4.229 -10.412 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.708 -2.586 -9.861 1.00 0.00 H new ATOM 789 N PHE A 52 -4.046 -3.495 -11.679 1.00 0.00 N ATOM 790 CA PHE A 52 -2.962 -4.435 -11.393 1.00 0.00 C ATOM 791 C PHE A 52 -3.320 -5.275 -10.156 1.00 0.00 C ATOM 792 O PHE A 52 -3.980 -4.774 -9.244 1.00 0.00 O ATOM 793 CB PHE A 52 -1.662 -3.662 -11.121 1.00 0.00 C ATOM 794 CG PHE A 52 -1.081 -2.961 -12.331 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.484 -1.652 -12.656 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.145 -3.628 -13.143 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.963 -1.014 -13.794 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.364 -2.997 -14.291 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.051 -1.695 -14.618 1.00 0.00 C ATOM 0 H PHE A 52 -4.035 -2.713 -11.025 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.822 -5.090 -12.253 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.851 -2.921 -10.344 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.918 -4.355 -10.727 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.196 -1.137 -12.028 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.182 -4.624 -12.884 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.262 -0.005 -14.035 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.074 -3.512 -14.921 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.333 -1.216 -15.506 1.00 0.00 H new ATOM 809 N THR A 53 -2.911 -6.543 -10.111 1.00 0.00 N ATOM 810 CA THR A 53 -3.019 -7.349 -8.876 1.00 0.00 C ATOM 811 C THR A 53 -1.655 -7.943 -8.501 1.00 0.00 C ATOM 812 O THR A 53 -0.841 -8.257 -9.375 1.00 0.00 O ATOM 813 CB THR A 53 -4.113 -8.432 -9.002 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.349 -7.854 -9.356 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.348 -9.248 -7.729 1.00 0.00 C ATOM 0 H THR A 53 -2.504 -7.039 -10.904 1.00 0.00 H new ATOM 0 HA THR A 53 -3.326 -6.692 -8.062 1.00 0.00 H new ATOM 0 HB THR A 53 -3.738 -9.105 -9.773 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.028 -8.556 -9.432 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.132 -9.984 -7.908 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.427 -9.759 -7.449 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.653 -8.583 -6.921 1.00 0.00 H new ATOM 823 N VAL A 54 -1.413 -8.081 -7.193 1.00 0.00 N ATOM 824 CA VAL A 54 -0.181 -8.632 -6.594 1.00 0.00 C ATOM 825 C VAL A 54 -0.542 -9.696 -5.557 1.00 0.00 C ATOM 826 O VAL A 54 -1.384 -9.451 -4.696 1.00 0.00 O ATOM 827 CB VAL A 54 0.697 -7.539 -5.957 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.983 -8.118 -5.352 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.128 -6.519 -7.012 1.00 0.00 C ATOM 0 H VAL A 54 -2.096 -7.802 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 54 0.403 -9.084 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 54 0.092 -7.077 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.573 -7.313 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.727 -8.843 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.563 -8.609 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.748 -5.753 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.699 -7.022 -7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.245 -6.054 -7.450 1.00 0.00 H new ATOM 839 N THR A 55 0.054 -10.881 -5.701 1.00 0.00 N ATOM 840 CA THR A 55 -0.312 -12.093 -4.935 1.00 0.00 C ATOM 841 C THR A 55 0.872 -12.901 -4.369 1.00 0.00 C ATOM 842 O THR A 55 1.881 -13.088 -5.054 1.00 0.00 O ATOM 843 CB THR A 55 -1.303 -12.973 -5.727 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.431 -12.221 -6.123 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.852 -14.163 -4.935 1.00 0.00 C ATOM 0 H THR A 55 0.816 -11.037 -6.360 1.00 0.00 H new ATOM 0 HA THR A 55 -0.815 -11.722 -4.042 1.00 0.00 H new ATOM 0 HB THR A 55 -0.722 -13.340 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.047 -12.795 -6.625 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.540 -14.731 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.028 -14.806 -4.626 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.379 -13.801 -4.053 1.00 0.00 H new ATOM 853 N GLU A 56 0.731 -13.406 -3.132 1.00 0.00 N ATOM 854 CA GLU A 56 1.613 -14.381 -2.446 1.00 0.00 C ATOM 855 C GLU A 56 0.779 -15.287 -1.539 1.00 0.00 C ATOM 856 O GLU A 56 -0.066 -14.762 -0.781 1.00 0.00 O ATOM 857 CB GLU A 56 2.728 -13.742 -1.594 1.00 0.00 C ATOM 858 CG GLU A 56 3.896 -13.197 -2.417 1.00 0.00 C ATOM 859 CD GLU A 56 5.208 -13.351 -1.660 1.00 0.00 C ATOM 860 OE1 GLU A 56 5.782 -14.463 -1.692 1.00 0.00 O ATOM 861 OE2 GLU A 56 5.660 -12.366 -1.037 1.00 0.00 O ATOM 862 OXT GLU A 56 0.966 -16.520 -1.615 1.00 0.00 O ATOM 0 H GLU A 56 -0.053 -13.129 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 56 2.100 -14.941 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.302 -12.931 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.106 -14.484 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.955 -13.726 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.725 -12.145 -2.648 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.049 -9.366 16.846 1.00 0.00 N ATOM 871 CA MET B 1 -5.112 -8.365 16.575 1.00 0.00 C ATOM 872 C MET B 1 -4.913 -7.740 15.198 1.00 0.00 C ATOM 873 O MET B 1 -3.779 -7.551 14.762 1.00 0.00 O ATOM 874 CB MET B 1 -5.163 -7.300 17.691 1.00 0.00 C ATOM 875 CG MET B 1 -6.278 -6.260 17.516 1.00 0.00 C ATOM 876 SD MET B 1 -7.947 -6.961 17.340 1.00 0.00 S ATOM 877 CE MET B 1 -8.896 -5.439 17.078 1.00 0.00 C ATOM 0 H1 MET B 1 -4.105 -9.672 17.839 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.179 -10.188 16.223 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.117 -8.940 16.667 1.00 0.00 H new ATOM 0 HA MET B 1 -6.078 -8.871 16.572 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.296 -7.801 18.650 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.203 -6.785 17.730 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.269 -5.589 18.375 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.058 -5.655 16.636 1.00 0.00 H new ATOM 0 HE1 MET B 1 -9.948 -5.686 16.933 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.793 -4.791 17.949 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.519 -4.923 16.195 1.00 0.00 H new ATOM 889 N GLN B 2 -6.007 -7.439 14.494 1.00 0.00 N ATOM 890 CA GLN B 2 -5.975 -6.763 13.186 1.00 0.00 C ATOM 891 C GLN B 2 -5.838 -5.234 13.322 1.00 0.00 C ATOM 892 O GLN B 2 -6.573 -4.596 14.080 1.00 0.00 O ATOM 893 CB GLN B 2 -7.227 -7.141 12.378 1.00 0.00 C ATOM 894 CG GLN B 2 -7.163 -6.645 10.924 1.00 0.00 C ATOM 895 CD GLN B 2 -7.649 -7.698 9.955 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.828 -7.787 9.634 1.00 0.00 O ATOM 897 NE2 GLN B 2 -6.750 -8.525 9.466 1.00 0.00 N ATOM 0 H GLN B 2 -6.950 -7.658 14.815 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.088 -7.104 12.651 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.345 -8.225 12.384 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.108 -6.721 12.863 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -7.769 -5.745 10.819 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.138 -6.369 10.678 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.772 -8.438 9.743 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -7.031 -9.253 8.810 1.00 0.00 H new ATOM 906 N TYR B 3 -4.905 -4.657 12.564 1.00 0.00 N ATOM 907 CA TYR B 3 -4.619 -3.217 12.464 1.00 0.00 C ATOM 908 C TYR B 3 -4.690 -2.723 11.006 1.00 0.00 C ATOM 909 O TYR B 3 -4.544 -3.517 10.072 1.00 0.00 O ATOM 910 CB TYR B 3 -3.234 -2.932 13.060 1.00 0.00 C ATOM 911 CG TYR B 3 -3.079 -3.295 14.528 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.666 -4.590 14.896 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.332 -2.336 15.527 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.518 -4.931 16.253 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.191 -2.683 16.885 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.794 -3.980 17.247 1.00 0.00 C ATOM 917 OH TYR B 3 -2.677 -4.306 18.564 1.00 0.00 O ATOM 0 H TYR B 3 -4.290 -5.210 11.967 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.379 -2.675 13.026 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.488 -3.480 12.485 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.014 -1.871 12.938 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.462 -5.326 14.132 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.634 -1.336 15.253 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.192 -5.923 16.529 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.389 -1.948 17.651 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.905 -3.528 19.115 1.00 0.00 H new ATOM 927 N LYS B 4 -4.861 -1.416 10.794 1.00 0.00 N ATOM 928 CA LYS B 4 -5.091 -0.807 9.471 1.00 0.00 C ATOM 929 C LYS B 4 -4.248 0.473 9.237 1.00 0.00 C ATOM 930 O LYS B 4 -3.895 1.167 10.189 1.00 0.00 O ATOM 931 CB LYS B 4 -6.605 -0.543 9.367 1.00 0.00 C ATOM 932 CG LYS B 4 -7.075 -0.065 7.986 1.00 0.00 C ATOM 933 CD LYS B 4 -8.584 0.189 7.964 1.00 0.00 C ATOM 934 CE LYS B 4 -8.959 0.709 6.575 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.388 1.061 6.470 1.00 0.00 N ATOM 0 H LYS B 4 -4.844 -0.732 11.551 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.762 -1.485 8.683 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.139 -1.459 9.622 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.882 0.205 10.110 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.547 0.850 7.717 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.820 -0.812 7.235 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.128 -0.729 8.186 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.859 0.915 8.729 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.354 1.586 6.343 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.719 -0.049 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.551 1.592 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.960 0.192 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.662 1.647 7.284 1.00 0.00 H new ATOM 949 N LEU B 5 -3.977 0.810 7.971 1.00 0.00 N ATOM 950 CA LEU B 5 -3.195 1.964 7.497 1.00 0.00 C ATOM 951 C LEU B 5 -3.925 2.676 6.340 1.00 0.00 C ATOM 952 O LEU B 5 -4.084 2.102 5.261 1.00 0.00 O ATOM 953 CB LEU B 5 -1.815 1.448 7.036 1.00 0.00 C ATOM 954 CG LEU B 5 -0.662 2.451 6.849 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.881 3.454 5.717 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.344 3.226 8.122 1.00 0.00 C ATOM 0 H LEU B 5 -4.321 0.246 7.194 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.073 2.690 8.301 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.486 0.701 7.758 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.958 0.932 6.087 1.00 0.00 H new ATOM 0 HG LEU B 5 0.183 1.816 6.582 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.023 4.123 5.653 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.995 2.919 4.774 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.781 4.036 5.915 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.476 3.918 7.931 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.225 3.785 8.437 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.056 2.530 8.909 1.00 0.00 H new ATOM 968 N ILE B 6 -4.351 3.922 6.546 1.00 0.00 N ATOM 969 CA ILE B 6 -4.931 4.799 5.509 1.00 0.00 C ATOM 970 C ILE B 6 -3.825 5.701 4.940 1.00 0.00 C ATOM 971 O ILE B 6 -3.160 6.405 5.705 1.00 0.00 O ATOM 972 CB ILE B 6 -6.065 5.668 6.109 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.105 4.790 6.842 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.714 6.532 5.006 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.271 5.563 7.470 1.00 0.00 C ATOM 0 H ILE B 6 -4.304 4.369 7.462 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.353 4.186 4.713 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.637 6.342 6.852 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.508 4.063 6.137 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.597 4.227 7.625 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.509 7.138 5.440 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.961 7.184 4.564 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.131 5.884 4.235 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.948 4.864 7.961 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.885 6.271 8.204 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.810 6.104 6.692 1.00 0.00 H new ATOM 987 N LEU B 7 -3.614 5.730 3.623 1.00 0.00 N ATOM 988 CA LEU B 7 -2.556 6.471 2.937 1.00 0.00 C ATOM 989 C LEU B 7 -3.159 7.643 2.133 1.00 0.00 C ATOM 990 O LEU B 7 -3.982 7.426 1.236 1.00 0.00 O ATOM 991 CB LEU B 7 -1.830 5.477 2.008 1.00 0.00 C ATOM 992 CG LEU B 7 -0.674 6.094 1.201 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.486 6.520 2.100 1.00 0.00 C ATOM 994 CD2 LEU B 7 -0.158 5.082 0.183 1.00 0.00 C ATOM 0 H LEU B 7 -4.206 5.211 2.974 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.853 6.899 3.652 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.440 4.655 2.608 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.555 5.050 1.315 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.064 6.979 0.699 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.280 6.950 1.490 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.137 7.263 2.817 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.870 5.651 2.635 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.660 5.523 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.199 4.193 0.703 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.964 4.806 -0.496 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.759 8.870 2.459 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.152 10.087 1.751 1.00 0.00 C ATOM 1008 C ASN B 8 -1.894 10.786 1.198 1.00 0.00 C ATOM 1009 O ASN B 8 -0.917 11.008 1.916 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.950 11.027 2.671 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.991 10.345 3.538 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -6.175 10.295 3.223 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.560 9.840 4.672 1.00 0.00 N ATOM 0 H ASN B 8 -2.135 9.051 3.245 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.803 9.820 0.919 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.251 11.557 3.318 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.447 11.777 2.056 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.216 9.394 5.313 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.570 9.894 4.911 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.916 11.129 -0.085 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.768 11.689 -0.807 1.00 0.00 C ATOM 1022 C GLY B 9 -1.025 11.972 -2.290 1.00 0.00 C ATOM 1023 O GLY B 9 -2.160 11.895 -2.765 1.00 0.00 O ATOM 0 H GLY B 9 -2.746 11.025 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.467 12.617 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.070 10.998 -0.722 1.00 0.00 H new ATOM 1027 N LYS B 10 0.038 12.313 -3.016 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.008 12.744 -4.424 1.00 0.00 C ATOM 1029 C LYS B 10 0.635 11.737 -5.402 1.00 0.00 C ATOM 1030 O LYS B 10 0.129 11.545 -6.510 1.00 0.00 O ATOM 1031 CB LYS B 10 0.653 14.126 -4.562 1.00 0.00 C ATOM 1032 CG LYS B 10 -0.031 15.198 -3.692 1.00 0.00 C ATOM 1033 CD LYS B 10 0.363 16.628 -4.103 1.00 0.00 C ATOM 1034 CE LYS B 10 1.863 16.950 -4.013 1.00 0.00 C ATOM 1035 NZ LYS B 10 2.347 17.033 -2.621 1.00 0.00 N ATOM 0 H LYS B 10 0.985 12.299 -2.636 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.060 12.799 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.704 14.052 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.623 14.437 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.113 15.087 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.234 15.037 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS B 10 0.033 16.797 -5.128 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -0.181 17.332 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS B 10 2.427 16.183 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS B 10 2.058 17.896 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 3.360 17.269 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 1.819 17.771 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 2.204 16.118 -2.149 1.00 0.00 H new ATOM 1049 N THR B 11 1.703 11.043 -4.998 1.00 0.00 N ATOM 1050 CA THR B 11 2.278 9.906 -5.752 1.00 0.00 C ATOM 1051 C THR B 11 1.426 8.629 -5.646 1.00 0.00 C ATOM 1052 O THR B 11 1.317 7.855 -6.602 1.00 0.00 O ATOM 1053 CB THR B 11 3.686 9.556 -5.234 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.665 9.362 -3.837 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.714 10.637 -5.560 1.00 0.00 C ATOM 0 H THR B 11 2.203 11.250 -4.133 1.00 0.00 H new ATOM 0 HA THR B 11 2.310 10.234 -6.791 1.00 0.00 H new ATOM 0 HB THR B 11 3.980 8.637 -5.742 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.576 9.433 -3.483 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.689 10.341 -5.173 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.777 10.766 -6.641 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.411 11.578 -5.100 1.00 0.00 H new ATOM 1063 N LEU B 12 0.799 8.416 -4.485 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.065 7.271 -4.187 1.00 0.00 C ATOM 1065 C LEU B 12 -1.148 7.599 -3.139 1.00 0.00 C ATOM 1066 O LEU B 12 -0.911 8.365 -2.202 1.00 0.00 O ATOM 1067 CB LEU B 12 0.836 6.105 -3.715 1.00 0.00 C ATOM 1068 CG LEU B 12 0.165 4.721 -3.752 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.077 4.261 -5.187 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.045 3.661 -3.096 1.00 0.00 C ATOM 0 H LEU B 12 0.883 9.060 -3.699 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.608 6.993 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.729 6.078 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.165 6.307 -2.696 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.778 4.828 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.552 3.280 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.727 4.975 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.875 4.199 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.543 2.694 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.996 3.599 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.225 3.931 -2.055 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.316 6.969 -3.273 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.399 6.972 -2.276 1.00 0.00 C ATOM 1084 C LYS B 13 -3.918 5.540 -2.065 1.00 0.00 C ATOM 1085 O LYS B 13 -3.870 4.732 -2.992 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.549 7.880 -2.741 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.141 9.358 -2.828 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.320 10.288 -3.155 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.900 10.017 -4.550 1.00 0.00 C ATOM 1090 NZ LYS B 13 -7.009 10.938 -4.871 1.00 0.00 N ATOM 0 H LYS B 13 -2.546 6.424 -4.104 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.008 7.355 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.898 7.546 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.387 7.779 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.697 9.663 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.372 9.473 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.102 10.158 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -4.990 11.325 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -5.113 10.121 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.255 8.988 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -7.374 10.724 -5.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -7.771 10.821 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.664 11.919 -4.846 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.419 5.196 -0.877 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.901 3.831 -0.612 1.00 0.00 C ATOM 1106 C GLY B 14 -5.244 3.502 0.841 1.00 0.00 C ATOM 1107 O GLY B 14 -5.237 4.366 1.719 1.00 0.00 O ATOM 0 H GLY B 14 -4.503 5.835 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.789 3.658 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.140 3.128 -0.951 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.530 2.222 1.083 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.859 1.617 2.391 1.00 0.00 C ATOM 1113 C GLU B 15 -5.308 0.193 2.470 1.00 0.00 C ATOM 1114 O GLU B 15 -5.510 -0.600 1.549 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.380 1.541 2.613 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.052 2.903 2.772 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.557 2.723 2.916 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.014 2.409 4.037 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.278 2.897 1.908 1.00 0.00 O ATOM 0 H GLU B 15 -5.541 1.532 0.332 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.409 2.251 3.155 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.834 1.019 1.771 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.578 0.943 3.503 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.653 3.416 3.647 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.833 3.530 1.908 1.00 0.00 H new ATOM 1126 N THR B 16 -4.626 -0.139 3.564 1.00 0.00 N ATOM 1127 CA THR B 16 -4.006 -1.461 3.779 1.00 0.00 C ATOM 1128 C THR B 16 -4.227 -1.985 5.207 1.00 0.00 C ATOM 1129 O THR B 16 -4.543 -1.215 6.116 1.00 0.00 O ATOM 1130 CB THR B 16 -2.497 -1.467 3.448 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.730 -0.893 4.474 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.103 -0.694 2.189 1.00 0.00 C ATOM 0 H THR B 16 -4.482 0.506 4.341 1.00 0.00 H new ATOM 0 HA THR B 16 -4.510 -2.133 3.085 1.00 0.00 H new ATOM 0 HB THR B 16 -2.297 -2.529 3.307 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.857 -0.625 4.119 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.025 -0.759 2.045 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.611 -1.122 1.325 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.392 0.351 2.299 1.00 0.00 H new ATOM 1140 N THR B 17 -4.069 -3.291 5.420 1.00 0.00 N ATOM 1141 CA THR B 17 -4.439 -3.996 6.658 1.00 0.00 C ATOM 1142 C THR B 17 -3.472 -5.159 6.950 1.00 0.00 C ATOM 1143 O THR B 17 -3.001 -5.839 6.030 1.00 0.00 O ATOM 1144 CB THR B 17 -5.883 -4.554 6.564 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.763 -3.693 5.867 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.530 -4.785 7.927 1.00 0.00 C ATOM 0 H THR B 17 -3.668 -3.912 4.717 1.00 0.00 H new ATOM 0 HA THR B 17 -4.380 -3.271 7.470 1.00 0.00 H new ATOM 0 HB THR B 17 -5.751 -5.496 6.032 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.657 -4.094 5.836 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.538 -5.176 7.790 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.937 -5.502 8.494 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.577 -3.842 8.472 1.00 0.00 H new ATOM 1154 N THR B 18 -3.183 -5.389 8.234 1.00 0.00 N ATOM 1155 CA THR B 18 -2.259 -6.420 8.755 1.00 0.00 C ATOM 1156 C THR B 18 -2.765 -7.031 10.074 1.00 0.00 C ATOM 1157 O THR B 18 -3.662 -6.476 10.712 1.00 0.00 O ATOM 1158 CB THR B 18 -0.839 -5.838 8.957 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.110 -6.870 9.094 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.701 -4.929 10.184 1.00 0.00 C ATOM 0 H THR B 18 -3.604 -4.838 8.982 1.00 0.00 H new ATOM 0 HA THR B 18 -2.217 -7.214 8.009 1.00 0.00 H new ATOM 0 HB THR B 18 -0.660 -5.238 8.065 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.451 -7.120 8.210 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.324 -4.564 10.253 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.382 -4.083 10.089 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.946 -5.493 11.084 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.196 -8.158 10.519 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.496 -8.814 11.812 1.00 0.00 C ATOM 1170 C GLU B 19 -1.210 -9.073 12.594 1.00 0.00 C ATOM 1171 O GLU B 19 -0.379 -9.892 12.200 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.302 -10.106 11.610 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.689 -10.763 12.934 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.526 -12.007 12.677 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -3.937 -13.073 12.389 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.769 -11.919 12.787 1.00 0.00 O ATOM 0 H GLU B 19 -1.492 -8.659 9.978 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.116 -8.137 12.400 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.204 -9.883 11.041 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.716 -10.808 11.017 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.792 -11.028 13.493 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.250 -10.058 13.548 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.053 -8.345 13.697 1.00 0.00 N ATOM 1184 CA ALA B 20 0.158 -8.252 14.493 1.00 0.00 C ATOM 1185 C ALA B 20 -0.106 -8.511 15.984 1.00 0.00 C ATOM 1186 O ALA B 20 -1.246 -8.520 16.462 1.00 0.00 O ATOM 1187 CB ALA B 20 0.729 -6.850 14.274 1.00 0.00 C ATOM 0 H ALA B 20 -1.810 -7.776 14.075 1.00 0.00 H new ATOM 0 HA ALA B 20 0.867 -9.019 14.180 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.644 -6.735 14.856 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.951 -6.709 13.216 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.001 -6.106 14.594 1.00 0.00 H new ATOM 1193 N VAL B 21 0.977 -8.718 16.726 1.00 0.00 N ATOM 1194 CA VAL B 21 0.929 -8.983 18.175 1.00 0.00 C ATOM 1195 C VAL B 21 0.561 -7.728 18.977 1.00 0.00 C ATOM 1196 O VAL B 21 -0.237 -7.825 19.913 1.00 0.00 O ATOM 1197 CB VAL B 21 2.240 -9.633 18.651 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.456 -8.791 18.256 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.259 -9.933 20.152 1.00 0.00 C ATOM 0 H VAL B 21 1.923 -8.708 16.344 1.00 0.00 H new ATOM 0 HA VAL B 21 0.128 -9.698 18.363 1.00 0.00 H new ATOM 0 HB VAL B 21 2.296 -10.594 18.140 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.366 -9.278 18.607 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.493 -8.692 17.171 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.376 -7.802 18.708 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.212 -10.390 20.420 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.132 -9.005 20.710 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.447 -10.617 20.397 1.00 0.00 H new ATOM 1209 N ASP B 22 1.020 -6.529 18.586 1.00 0.00 N ATOM 1210 CA ASP B 22 0.687 -5.224 19.176 1.00 0.00 C ATOM 1211 C ASP B 22 0.797 -4.143 18.084 1.00 0.00 C ATOM 1212 O ASP B 22 1.466 -4.343 17.066 1.00 0.00 O ATOM 1213 CB ASP B 22 1.726 -4.880 20.271 1.00 0.00 C ATOM 1214 CG ASP B 22 1.590 -5.672 21.588 1.00 0.00 C ATOM 1215 OD1 ASP B 22 0.657 -5.379 22.374 1.00 0.00 O ATOM 1216 OD2 ASP B 22 2.459 -6.534 21.868 1.00 0.00 O ATOM 0 H ASP B 22 1.670 -6.440 17.805 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.319 -5.262 19.594 1.00 0.00 H new ATOM 0 HB2 ASP B 22 2.724 -5.050 19.867 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.651 -3.816 20.498 1.00 0.00 H new ATOM 1221 N ALA B 23 0.214 -2.974 18.344 1.00 0.00 N ATOM 1222 CA ALA B 23 0.294 -1.780 17.492 1.00 0.00 C ATOM 1223 C ALA B 23 1.738 -1.383 17.109 1.00 0.00 C ATOM 1224 O ALA B 23 1.959 -0.786 16.059 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.418 -0.622 18.201 1.00 0.00 C ATOM 0 H ALA B 23 -0.348 -2.823 19.182 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.199 -2.017 16.549 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.366 0.272 17.579 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.462 -0.886 18.371 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.067 -0.427 19.157 1.00 0.00 H new ATOM 1231 N ALA B 24 2.727 -1.756 17.927 1.00 0.00 N ATOM 1232 CA ALA B 24 4.145 -1.542 17.694 1.00 0.00 C ATOM 1233 C ALA B 24 4.685 -2.443 16.568 1.00 0.00 C ATOM 1234 O ALA B 24 5.440 -1.990 15.711 1.00 0.00 O ATOM 1235 CB ALA B 24 4.911 -1.781 19.000 1.00 0.00 C ATOM 0 H ALA B 24 2.545 -2.237 18.808 1.00 0.00 H new ATOM 0 HA ALA B 24 4.291 -0.512 17.368 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.976 -1.622 18.831 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.557 -1.087 19.762 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.746 -2.804 19.337 1.00 0.00 H new ATOM 1241 N THR B 25 4.255 -3.707 16.513 1.00 0.00 N ATOM 1242 CA THR B 25 4.541 -4.621 15.396 1.00 0.00 C ATOM 1243 C THR B 25 3.737 -4.242 14.145 1.00 0.00 C ATOM 1244 O THR B 25 4.300 -4.201 13.054 1.00 0.00 O ATOM 1245 CB THR B 25 4.293 -6.078 15.805 1.00 0.00 C ATOM 1246 OG1 THR B 25 5.093 -6.381 16.928 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.643 -7.092 14.715 1.00 0.00 C ATOM 0 H THR B 25 3.692 -4.132 17.250 1.00 0.00 H new ATOM 0 HA THR B 25 5.597 -4.523 15.143 1.00 0.00 H new ATOM 0 HB THR B 25 3.226 -6.159 16.010 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.326 -7.333 16.917 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.441 -8.100 15.077 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.039 -6.897 13.829 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.699 -7.003 14.460 1.00 0.00 H new ATOM 1255 N ALA B 26 2.460 -3.858 14.269 1.00 0.00 N ATOM 1256 CA ALA B 26 1.677 -3.370 13.120 1.00 0.00 C ATOM 1257 C ALA B 26 2.265 -2.109 12.450 1.00 0.00 C ATOM 1258 O ALA B 26 2.354 -2.045 11.223 1.00 0.00 O ATOM 1259 CB ALA B 26 0.249 -3.078 13.573 1.00 0.00 C ATOM 0 H ALA B 26 1.946 -3.875 15.150 1.00 0.00 H new ATOM 0 HA ALA B 26 1.704 -4.160 12.370 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.335 -2.717 12.726 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.203 -3.990 13.962 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.263 -2.318 14.354 1.00 0.00 H new ATOM 1265 N GLU B 27 2.761 -1.172 13.270 1.00 0.00 N ATOM 1266 CA GLU B 27 3.517 -0.007 12.753 1.00 0.00 C ATOM 1267 C GLU B 27 4.900 -0.375 12.243 1.00 0.00 C ATOM 1268 O GLU B 27 5.337 0.200 11.250 1.00 0.00 O ATOM 1269 CB GLU B 27 3.584 1.219 13.676 1.00 0.00 C ATOM 1270 CG GLU B 27 4.578 1.141 14.829 1.00 0.00 C ATOM 1271 CD GLU B 27 4.690 2.494 15.513 1.00 0.00 C ATOM 1272 OE1 GLU B 27 5.511 3.315 15.045 1.00 0.00 O ATOM 1273 OE2 GLU B 27 3.982 2.726 16.517 1.00 0.00 O ATOM 0 H GLU B 27 2.658 -1.191 14.285 1.00 0.00 H new ATOM 0 HA GLU B 27 2.906 0.310 11.908 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.830 2.091 13.070 1.00 0.00 H new ATOM 0 HB3 GLU B 27 2.591 1.390 14.091 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.256 0.387 15.547 1.00 0.00 H new ATOM 0 HG3 GLU B 27 5.555 0.830 14.457 1.00 0.00 H new ATOM 1280 N LYS B 28 5.564 -1.374 12.836 1.00 0.00 N ATOM 1281 CA LYS B 28 6.804 -1.904 12.244 1.00 0.00 C ATOM 1282 C LYS B 28 6.558 -2.485 10.833 1.00 0.00 C ATOM 1283 O LYS B 28 7.271 -2.132 9.890 1.00 0.00 O ATOM 1284 CB LYS B 28 7.431 -2.929 13.205 1.00 0.00 C ATOM 1285 CG LYS B 28 8.774 -3.494 12.714 1.00 0.00 C ATOM 1286 CD LYS B 28 9.446 -4.392 13.769 1.00 0.00 C ATOM 1287 CE LYS B 28 8.610 -5.633 14.116 1.00 0.00 C ATOM 1288 NZ LYS B 28 9.290 -6.493 15.107 1.00 0.00 N ATOM 0 H LYS B 28 5.275 -1.825 13.704 1.00 0.00 H new ATOM 0 HA LYS B 28 7.514 -1.088 12.108 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.578 -2.460 14.178 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.732 -3.752 13.351 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.613 -4.067 11.801 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.442 -2.671 12.461 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.422 -4.709 13.401 1.00 0.00 H new ATOM 0 HD3 LYS B 28 9.620 -3.812 14.675 1.00 0.00 H new ATOM 0 HE2 LYS B 28 7.642 -5.321 14.509 1.00 0.00 H new ATOM 0 HE3 LYS B 28 8.416 -6.206 13.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.695 -7.320 15.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.202 -6.811 14.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 9.452 -5.954 15.981 1.00 0.00 H new ATOM 1302 N VAL B 29 5.517 -3.307 10.647 1.00 0.00 N ATOM 1303 CA VAL B 29 5.118 -3.847 9.333 1.00 0.00 C ATOM 1304 C VAL B 29 4.746 -2.732 8.350 1.00 0.00 C ATOM 1305 O VAL B 29 5.332 -2.651 7.271 1.00 0.00 O ATOM 1306 CB VAL B 29 3.970 -4.868 9.486 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.408 -5.330 8.140 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.464 -6.127 10.217 1.00 0.00 C ATOM 0 H VAL B 29 4.919 -3.622 11.411 1.00 0.00 H new ATOM 0 HA VAL B 29 5.979 -4.367 8.914 1.00 0.00 H new ATOM 0 HB VAL B 29 3.190 -4.354 10.049 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.604 -6.047 8.308 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.020 -4.471 7.594 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.199 -5.802 7.558 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.642 -6.836 10.316 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.272 -6.585 9.647 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.829 -5.853 11.207 1.00 0.00 H new ATOM 1318 N PHE B 30 3.845 -1.821 8.726 1.00 0.00 N ATOM 1319 CA PHE B 30 3.473 -0.691 7.860 1.00 0.00 C ATOM 1320 C PHE B 30 4.687 0.174 7.452 1.00 0.00 C ATOM 1321 O PHE B 30 4.816 0.575 6.295 1.00 0.00 O ATOM 1322 CB PHE B 30 2.410 0.199 8.524 1.00 0.00 C ATOM 1323 CG PHE B 30 1.072 -0.443 8.857 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.446 -1.333 7.958 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.429 -0.115 10.067 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.797 -1.904 8.284 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.805 -0.701 10.395 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.418 -1.590 9.501 1.00 0.00 C ATOM 0 H PHE B 30 3.358 -1.840 9.622 1.00 0.00 H new ATOM 0 HA PHE B 30 3.058 -1.135 6.955 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.832 0.597 9.447 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.222 1.048 7.867 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.922 -1.576 7.019 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.887 0.590 10.745 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.274 -2.586 7.596 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.281 -0.467 11.336 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.370 -2.034 9.750 1.00 0.00 H new ATOM 1338 N LYS B 31 5.627 0.401 8.371 1.00 0.00 N ATOM 1339 CA LYS B 31 6.866 1.128 8.067 1.00 0.00 C ATOM 1340 C LYS B 31 7.839 0.348 7.164 1.00 0.00 C ATOM 1341 O LYS B 31 8.661 0.968 6.494 1.00 0.00 O ATOM 1342 CB LYS B 31 7.538 1.610 9.358 1.00 0.00 C ATOM 1343 CG LYS B 31 6.729 2.784 9.930 1.00 0.00 C ATOM 1344 CD LYS B 31 7.215 3.217 11.312 1.00 0.00 C ATOM 1345 CE LYS B 31 6.403 4.445 11.741 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.762 4.906 13.095 1.00 0.00 N ATOM 0 H LYS B 31 5.555 0.090 9.340 1.00 0.00 H new ATOM 0 HA LYS B 31 6.579 2.000 7.480 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.588 0.798 10.083 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.563 1.921 9.156 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.791 3.630 9.246 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.678 2.500 9.991 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.088 2.407 12.031 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.278 3.455 11.284 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.567 5.254 11.029 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.340 4.204 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.331 5.836 13.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.412 4.224 13.798 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.796 4.983 13.173 1.00 0.00 H new ATOM 1360 N GLN B 32 7.741 -0.982 7.060 1.00 0.00 N ATOM 1361 CA GLN B 32 8.493 -1.779 6.072 1.00 0.00 C ATOM 1362 C GLN B 32 8.092 -1.451 4.616 1.00 0.00 C ATOM 1363 O GLN B 32 8.948 -1.389 3.733 1.00 0.00 O ATOM 1364 CB GLN B 32 8.279 -3.277 6.367 1.00 0.00 C ATOM 1365 CG GLN B 32 9.370 -4.190 5.794 1.00 0.00 C ATOM 1366 CD GLN B 32 10.718 -3.970 6.448 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.625 -3.384 5.870 1.00 0.00 O ATOM 1368 NE2 GLN B 32 10.892 -4.431 7.669 1.00 0.00 N ATOM 0 H GLN B 32 7.136 -1.543 7.660 1.00 0.00 H new ATOM 0 HA GLN B 32 9.549 -1.524 6.166 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.230 -3.420 7.446 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.315 -3.582 5.961 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.073 -5.231 5.924 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.458 -4.016 4.722 1.00 0.00 H new ATOM 0 HE21 GLN B 32 10.132 -4.918 8.143 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.787 -4.301 8.140 1.00 0.00 H new ATOM 1377 N TYR B 33 6.799 -1.207 4.366 1.00 0.00 N ATOM 1378 CA TYR B 33 6.263 -0.754 3.067 1.00 0.00 C ATOM 1379 C TYR B 33 6.327 0.780 2.862 1.00 0.00 C ATOM 1380 O TYR B 33 6.396 1.253 1.727 1.00 0.00 O ATOM 1381 CB TYR B 33 4.805 -1.225 2.927 1.00 0.00 C ATOM 1382 CG TYR B 33 4.609 -2.724 2.737 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.699 -3.609 3.832 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.263 -3.232 1.468 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.430 -4.980 3.665 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.980 -4.602 1.307 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.054 -5.473 2.405 1.00 0.00 C ATOM 1388 OH TYR B 33 3.728 -6.786 2.245 1.00 0.00 O ATOM 0 H TYR B 33 6.076 -1.321 5.076 1.00 0.00 H new ATOM 0 HA TYR B 33 6.898 -1.195 2.299 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.256 -0.915 3.816 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.356 -0.708 2.079 1.00 0.00 H new ATOM 0 HD1 TYR B 33 4.976 -3.232 4.805 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.215 -2.569 0.617 1.00 0.00 H new ATOM 0 HE1 TYR B 33 4.513 -5.653 4.506 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.705 -4.984 0.335 1.00 0.00 H new ATOM 0 HH TYR B 33 3.938 -7.278 3.066 1.00 0.00 H new ATOM 1398 N PHE B 34 6.318 1.543 3.962 1.00 0.00 N ATOM 1399 CA PHE B 34 6.175 3.014 3.970 1.00 0.00 C ATOM 1400 C PHE B 34 7.380 3.786 4.575 1.00 0.00 C ATOM 1401 O PHE B 34 7.231 4.894 5.095 1.00 0.00 O ATOM 1402 CB PHE B 34 4.803 3.407 4.554 1.00 0.00 C ATOM 1403 CG PHE B 34 3.603 2.808 3.826 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.426 3.028 2.444 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.657 2.028 4.522 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.337 2.454 1.765 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.573 1.444 3.841 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.413 1.656 2.461 1.00 0.00 C ATOM 0 H PHE B 34 6.412 1.149 4.898 1.00 0.00 H new ATOM 0 HA PHE B 34 6.199 3.346 2.932 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.767 3.099 5.599 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.715 4.493 4.538 1.00 0.00 H new ATOM 0 HD1 PHE B 34 4.132 3.642 1.904 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.765 1.878 5.586 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.210 2.627 0.706 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.864 0.833 4.379 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.582 1.207 1.937 1.00 0.00 H new ATOM 1418 N ASN B 35 8.585 3.211 4.494 1.00 0.00 N ATOM 1419 CA ASN B 35 9.892 3.823 4.801 1.00 0.00 C ATOM 1420 C ASN B 35 10.253 5.017 3.871 1.00 0.00 C ATOM 1421 O ASN B 35 11.099 4.903 2.980 1.00 0.00 O ATOM 1422 CB ASN B 35 10.984 2.736 4.841 1.00 0.00 C ATOM 1423 CG ASN B 35 11.194 2.000 3.524 1.00 0.00 C ATOM 1424 OD1 ASN B 35 10.286 1.410 2.952 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.410 2.002 3.019 1.00 0.00 N ATOM 0 H ASN B 35 8.685 2.242 4.193 1.00 0.00 H new ATOM 0 HA ASN B 35 9.822 4.271 5.792 1.00 0.00 H new ATOM 0 HB2 ASN B 35 11.926 3.196 5.139 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.727 2.009 5.611 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.600 1.510 2.146 1.00 0.00 H new ATOM 0 HD22 ASN B 35 13.161 2.496 3.501 1.00 0.00 H new ATOM 1432 N ASP B 36 9.579 6.159 4.072 1.00 0.00 N ATOM 1433 CA ASP B 36 9.551 7.381 3.234 1.00 0.00 C ATOM 1434 C ASP B 36 8.880 7.125 1.875 1.00 0.00 C ATOM 1435 O ASP B 36 7.842 7.720 1.588 1.00 0.00 O ATOM 1436 CB ASP B 36 10.939 8.046 3.114 1.00 0.00 C ATOM 1437 CG ASP B 36 11.575 8.399 4.477 1.00 0.00 C ATOM 1438 OD1 ASP B 36 11.139 9.391 5.112 1.00 0.00 O ATOM 1439 OD2 ASP B 36 12.525 7.699 4.906 1.00 0.00 O ATOM 0 H ASP B 36 8.986 6.267 4.895 1.00 0.00 H new ATOM 0 HA ASP B 36 8.925 8.109 3.749 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.608 7.377 2.573 1.00 0.00 H new ATOM 0 HB3 ASP B 36 10.847 8.955 2.519 1.00 0.00 H new ATOM 1444 N ASN B 37 9.418 6.201 1.078 1.00 0.00 N ATOM 1445 CA ASN B 37 8.875 5.625 -0.148 1.00 0.00 C ATOM 1446 C ASN B 37 8.113 6.552 -1.132 1.00 0.00 C ATOM 1447 O ASN B 37 7.123 6.115 -1.718 1.00 0.00 O ATOM 1448 CB ASN B 37 8.081 4.358 0.262 1.00 0.00 C ATOM 1449 CG ASN B 37 8.402 3.212 -0.673 1.00 0.00 C ATOM 1450 OD1 ASN B 37 9.047 2.237 -0.305 1.00 0.00 O ATOM 1451 ND2 ASN B 37 8.039 3.327 -1.928 1.00 0.00 N ATOM 0 H ASN B 37 10.330 5.801 1.297 1.00 0.00 H new ATOM 0 HA ASN B 37 9.728 5.389 -0.784 1.00 0.00 H new ATOM 0 HB2 ASN B 37 8.329 4.081 1.287 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.012 4.567 0.238 1.00 0.00 H new ATOM 0 HD21 ASN B 37 8.293 2.604 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN B 37 7.502 4.140 -2.231 1.00 0.00 H new ATOM 1458 N GLY B 38 8.506 7.816 -1.356 1.00 0.00 N ATOM 1459 CA GLY B 38 7.791 8.706 -2.289 1.00 0.00 C ATOM 1460 C GLY B 38 6.615 9.490 -1.694 1.00 0.00 C ATOM 1461 O GLY B 38 5.854 10.091 -2.454 1.00 0.00 O ATOM 0 H GLY B 38 9.314 8.246 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY B 38 8.506 9.418 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY B 38 7.420 8.107 -3.121 1.00 0.00 H new ATOM 1465 N VAL B 39 6.453 9.491 -0.367 1.00 0.00 N ATOM 1466 CA VAL B 39 5.325 10.135 0.335 1.00 0.00 C ATOM 1467 C VAL B 39 5.726 10.812 1.656 1.00 0.00 C ATOM 1468 O VAL B 39 5.303 11.942 1.900 1.00 0.00 O ATOM 1469 CB VAL B 39 4.179 9.117 0.524 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.540 7.865 1.336 1.00 0.00 C ATOM 1471 CG2 VAL B 39 2.924 9.742 1.136 1.00 0.00 C ATOM 0 H VAL B 39 7.112 9.037 0.266 1.00 0.00 H new ATOM 0 HA VAL B 39 4.973 10.951 -0.296 1.00 0.00 H new ATOM 0 HB VAL B 39 3.980 8.797 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.668 7.216 1.410 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.349 7.330 0.839 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.859 8.159 2.336 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.153 8.979 1.245 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.164 10.157 2.115 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.559 10.536 0.485 1.00 0.00 H new ATOM 1481 N ASP B 40 6.586 10.179 2.473 1.00 0.00 N ATOM 1482 CA ASP B 40 7.160 10.685 3.744 1.00 0.00 C ATOM 1483 C ASP B 40 6.200 11.479 4.663 1.00 0.00 C ATOM 1484 O ASP B 40 6.598 12.425 5.350 1.00 0.00 O ATOM 1485 CB ASP B 40 8.504 11.398 3.465 1.00 0.00 C ATOM 1486 CG ASP B 40 8.427 12.671 2.589 1.00 0.00 C ATOM 1487 OD1 ASP B 40 8.543 12.554 1.343 1.00 0.00 O ATOM 1488 OD2 ASP B 40 8.334 13.796 3.138 1.00 0.00 O ATOM 0 H ASP B 40 6.923 9.241 2.255 1.00 0.00 H new ATOM 0 HA ASP B 40 7.352 9.806 4.360 1.00 0.00 H new ATOM 0 HB2 ASP B 40 8.956 11.665 4.420 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.176 10.688 2.982 1.00 0.00 H new ATOM 1493 N GLY B 41 4.921 11.094 4.675 1.00 0.00 N ATOM 1494 CA GLY B 41 3.843 11.816 5.360 1.00 0.00 C ATOM 1495 C GLY B 41 3.910 11.801 6.896 1.00 0.00 C ATOM 1496 O GLY B 41 4.611 10.989 7.507 1.00 0.00 O ATOM 0 H GLY B 41 4.598 10.252 4.198 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.852 12.853 5.023 1.00 0.00 H new ATOM 0 HA3 GLY B 41 2.889 11.389 5.051 1.00 0.00 H new ATOM 1500 N GLU B 42 3.139 12.692 7.526 1.00 0.00 N ATOM 1501 CA GLU B 42 2.880 12.725 8.981 1.00 0.00 C ATOM 1502 C GLU B 42 2.041 11.518 9.401 1.00 0.00 C ATOM 1503 O GLU B 42 0.980 11.285 8.824 1.00 0.00 O ATOM 1504 CB GLU B 42 2.154 14.031 9.348 1.00 0.00 C ATOM 1505 CG GLU B 42 1.961 14.197 10.854 1.00 0.00 C ATOM 1506 CD GLU B 42 1.431 15.592 11.156 1.00 0.00 C ATOM 1507 OE1 GLU B 42 0.196 15.787 11.104 1.00 0.00 O ATOM 1508 OE2 GLU B 42 2.251 16.489 11.455 1.00 0.00 O ATOM 0 H GLU B 42 2.658 13.439 7.026 1.00 0.00 H new ATOM 0 HA GLU B 42 3.831 12.683 9.511 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.722 14.878 8.964 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.181 14.051 8.857 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.265 13.445 11.226 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.907 14.038 11.371 1.00 0.00 H new ATOM 1515 N TRP B 43 2.498 10.758 10.397 1.00 0.00 N ATOM 1516 CA TRP B 43 1.774 9.598 10.938 1.00 0.00 C ATOM 1517 C TRP B 43 0.852 10.012 12.104 1.00 0.00 C ATOM 1518 O TRP B 43 1.216 10.835 12.948 1.00 0.00 O ATOM 1519 CB TRP B 43 2.772 8.519 11.400 1.00 0.00 C ATOM 1520 CG TRP B 43 3.510 7.788 10.311 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.429 8.334 9.483 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.419 6.379 9.916 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.887 7.386 8.592 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.294 6.163 8.807 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.685 5.259 10.374 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.422 4.918 8.176 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.814 4.000 9.753 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.672 3.831 8.652 1.00 0.00 C ATOM 0 H TRP B 43 3.391 10.929 10.859 1.00 0.00 H new ATOM 0 HA TRP B 43 1.149 9.187 10.146 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.505 8.989 12.056 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.232 7.786 11.999 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.757 9.363 9.515 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.579 7.569 7.865 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.015 5.371 11.213 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.089 4.797 7.335 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.249 3.158 10.126 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.754 2.866 8.173 1.00 0.00 H new ATOM 1539 N THR B 44 -0.338 9.417 12.159 1.00 0.00 N ATOM 1540 CA THR B 44 -1.384 9.610 13.186 1.00 0.00 C ATOM 1541 C THR B 44 -2.001 8.246 13.539 1.00 0.00 C ATOM 1542 O THR B 44 -2.002 7.350 12.691 1.00 0.00 O ATOM 1543 CB THR B 44 -2.497 10.535 12.641 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.966 11.699 12.041 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.494 11.001 13.705 1.00 0.00 C ATOM 0 H THR B 44 -0.624 8.744 11.448 1.00 0.00 H new ATOM 0 HA THR B 44 -0.937 10.064 14.071 1.00 0.00 H new ATOM 0 HB THR B 44 -3.017 9.914 11.911 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.698 12.258 11.707 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.243 11.645 13.245 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.984 10.134 14.149 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.966 11.556 14.481 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.555 8.049 14.742 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.188 6.787 15.161 1.00 0.00 C ATOM 1555 C TYR B 45 -4.428 7.019 16.044 1.00 0.00 C ATOM 1556 O TYR B 45 -4.416 7.870 16.940 1.00 0.00 O ATOM 1557 CB TYR B 45 -2.156 5.948 15.931 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.665 4.616 16.461 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -3.012 3.594 15.559 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.774 4.382 17.846 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.438 2.339 16.030 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -3.201 3.125 18.317 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.522 2.103 17.410 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.894 0.877 17.867 1.00 0.00 O ATOM 0 H TYR B 45 -2.578 8.770 15.463 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.524 6.264 14.266 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.305 5.758 15.276 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.787 6.537 16.771 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.951 3.774 14.496 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.530 5.167 18.547 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.700 1.559 15.331 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.282 2.947 19.379 1.00 0.00 H new ATOM 0 HH TYR B 45 -3.901 0.881 18.847 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.479 6.228 15.810 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.695 6.119 16.629 1.00 0.00 C ATOM 1576 C ASP B 46 -6.828 4.693 17.173 1.00 0.00 C ATOM 1577 O ASP B 46 -7.035 3.746 16.405 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.929 6.513 15.796 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.968 8.008 15.417 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -8.395 8.833 16.263 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.601 8.358 14.268 1.00 0.00 O ATOM 0 H ASP B 46 -5.508 5.611 14.999 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.626 6.803 17.475 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.947 5.915 14.885 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.830 6.266 16.358 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.707 4.515 18.493 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.791 3.210 19.173 1.00 0.00 C ATOM 1588 C ASP B 47 -8.216 2.633 19.156 1.00 0.00 C ATOM 1589 O ASP B 47 -8.416 1.449 18.903 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.306 3.422 20.622 1.00 0.00 C ATOM 1591 CG ASP B 47 -6.420 2.169 21.507 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -5.632 1.215 21.307 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -7.297 2.140 22.403 1.00 0.00 O ATOM 0 H ASP B 47 -6.544 5.290 19.136 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.168 2.484 18.650 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.266 3.748 20.603 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.884 4.228 21.074 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.220 3.493 19.313 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.659 3.157 19.317 1.00 0.00 C ATOM 1600 C ALA B 48 -11.193 2.520 18.008 1.00 0.00 C ATOM 1601 O ALA B 48 -12.333 2.050 17.937 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.430 4.442 19.641 1.00 0.00 C ATOM 0 H ALA B 48 -9.055 4.490 19.448 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.809 2.382 20.069 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.499 4.232 19.653 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.123 4.814 20.618 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.217 5.195 18.883 1.00 0.00 H new ATOM 1608 N THR B 49 -10.366 2.564 16.967 1.00 0.00 N ATOM 1609 CA THR B 49 -10.552 1.850 15.694 1.00 0.00 C ATOM 1610 C THR B 49 -9.320 1.033 15.233 1.00 0.00 C ATOM 1611 O THR B 49 -9.241 0.613 14.076 1.00 0.00 O ATOM 1612 CB THR B 49 -11.151 2.815 14.648 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.584 2.175 13.469 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.224 3.976 14.297 1.00 0.00 C ATOM 0 H THR B 49 -9.511 3.119 16.982 1.00 0.00 H new ATOM 0 HA THR B 49 -11.282 1.054 15.844 1.00 0.00 H new ATOM 0 HB THR B 49 -12.031 3.222 15.145 1.00 0.00 H new ATOM 0 HG1 THR B 49 -10.981 1.431 13.260 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.706 4.615 13.557 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.012 4.556 15.195 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.292 3.586 13.888 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.310 0.821 16.096 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.011 0.198 15.785 1.00 0.00 C ATOM 1624 C LYS B 50 -6.403 0.597 14.417 1.00 0.00 C ATOM 1625 O LYS B 50 -5.858 -0.240 13.691 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.115 -1.328 15.989 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.549 -1.757 17.403 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.585 -1.272 18.497 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.954 -1.876 19.855 1.00 0.00 C ATOM 1630 NZ LYS B 50 -5.974 -1.519 20.900 1.00 0.00 N ATOM 0 H LYS B 50 -8.381 1.093 17.077 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.284 0.601 16.490 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.826 -1.730 15.267 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.147 -1.778 15.768 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.546 -1.367 17.606 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.618 -2.844 17.442 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.563 -1.549 18.236 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.615 -0.184 18.558 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.944 -1.527 20.151 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.012 -2.961 19.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.202 -2.028 21.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.019 -1.783 20.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -6.010 -0.494 21.074 1.00 0.00 H new ATOM 1644 N THR B 51 -6.513 1.877 14.052 1.00 0.00 N ATOM 1645 CA THR B 51 -6.173 2.352 12.688 1.00 0.00 C ATOM 1646 C THR B 51 -5.164 3.499 12.712 1.00 0.00 C ATOM 1647 O THR B 51 -5.288 4.447 13.490 1.00 0.00 O ATOM 1648 CB THR B 51 -7.429 2.775 11.896 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.333 1.701 11.743 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.134 3.275 10.478 1.00 0.00 C ATOM 0 H THR B 51 -6.836 2.614 14.679 1.00 0.00 H new ATOM 0 HA THR B 51 -5.713 1.504 12.180 1.00 0.00 H new ATOM 0 HB THR B 51 -7.848 3.586 12.492 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.653 1.415 12.624 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.068 3.552 9.988 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.478 4.144 10.528 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.646 2.485 9.908 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.169 3.433 11.827 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.158 4.454 11.564 1.00 0.00 C ATOM 1660 C PHE B 52 -3.532 5.228 10.286 1.00 0.00 C ATOM 1661 O PHE B 52 -4.081 4.660 9.340 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.791 3.783 11.345 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.167 3.140 12.568 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.511 1.823 12.932 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.226 3.853 13.335 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -0.911 1.219 14.051 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.364 3.253 14.461 1.00 0.00 C ATOM 1668 CZ PHE B 52 0.021 1.937 14.818 1.00 0.00 C ATOM 0 H PHE B 52 -4.041 2.611 11.237 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.108 5.134 12.415 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.901 3.021 10.574 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.099 4.531 10.958 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.238 1.276 12.350 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.043 4.862 13.058 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.166 0.205 14.320 1.00 0.00 H new ATOM 0 HE2 PHE B 52 1.081 3.803 15.052 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.475 1.478 15.684 1.00 0.00 H new ATOM 1678 N THR B 53 -3.228 6.519 10.244 1.00 0.00 N ATOM 1679 CA THR B 53 -3.406 7.376 9.059 1.00 0.00 C ATOM 1680 C THR B 53 -2.097 8.103 8.736 1.00 0.00 C ATOM 1681 O THR B 53 -1.423 8.596 9.643 1.00 0.00 O ATOM 1682 CB THR B 53 -4.535 8.400 9.295 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.740 7.752 9.644 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.839 9.264 8.070 1.00 0.00 C ATOM 0 H THR B 53 -2.842 7.018 11.045 1.00 0.00 H new ATOM 0 HA THR B 53 -3.682 6.745 8.214 1.00 0.00 H new ATOM 0 HB THR B 53 -4.170 9.036 10.101 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.441 8.421 9.790 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.643 9.961 8.307 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.946 9.822 7.787 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.145 8.626 7.241 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.737 8.183 7.452 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.516 8.849 6.948 1.00 0.00 C ATOM 1694 C VAL B 54 -0.905 9.865 5.870 1.00 0.00 C ATOM 1695 O VAL B 54 -1.652 9.525 4.951 1.00 0.00 O ATOM 1696 CB VAL B 54 0.502 7.830 6.394 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.813 8.515 5.982 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.852 6.767 7.444 1.00 0.00 C ATOM 0 H VAL B 54 -2.300 7.776 6.705 1.00 0.00 H new ATOM 0 HA VAL B 54 -0.033 9.363 7.779 1.00 0.00 H new ATOM 0 HB VAL B 54 0.030 7.367 5.527 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.508 7.769 5.596 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.609 9.255 5.208 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.254 9.008 6.849 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.571 6.064 7.024 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.286 7.250 8.320 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.052 6.232 7.735 1.00 0.00 H new ATOM 1708 N THR B 55 -0.467 11.118 6.010 1.00 0.00 N ATOM 1709 CA THR B 55 -0.870 12.242 5.137 1.00 0.00 C ATOM 1710 C THR B 55 0.336 13.103 4.710 1.00 0.00 C ATOM 1711 O THR B 55 1.186 13.410 5.552 1.00 0.00 O ATOM 1712 CB THR B 55 -1.956 13.085 5.838 1.00 0.00 C ATOM 1713 OG1 THR B 55 -3.099 12.299 6.106 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.440 14.285 5.026 1.00 0.00 C ATOM 0 H THR B 55 0.188 11.393 6.742 1.00 0.00 H new ATOM 0 HA THR B 55 -1.289 11.830 4.219 1.00 0.00 H new ATOM 0 HB THR B 55 -1.474 13.447 6.746 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.777 12.849 6.552 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.202 14.823 5.590 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.600 14.950 4.824 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.864 13.939 4.083 1.00 0.00 H new ATOM 1722 N GLU B 56 0.420 13.514 3.431 1.00 0.00 N ATOM 1723 CA GLU B 56 1.407 14.513 2.945 1.00 0.00 C ATOM 1724 C GLU B 56 1.148 15.914 3.510 1.00 0.00 C ATOM 1725 O GLU B 56 2.086 16.491 4.099 1.00 0.00 O ATOM 1726 CB GLU B 56 1.464 14.598 1.414 1.00 0.00 C ATOM 1727 CG GLU B 56 2.169 13.384 0.801 1.00 0.00 C ATOM 1728 CD GLU B 56 2.357 13.512 -0.706 1.00 0.00 C ATOM 1729 OE1 GLU B 56 2.534 14.643 -1.208 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.326 12.469 -1.393 1.00 0.00 O ATOM 1731 OXT GLU B 56 0.023 16.433 3.341 1.00 0.00 O ATOM 0 H GLU B 56 -0.196 13.164 2.697 1.00 0.00 H new ATOM 0 HA GLU B 56 2.369 14.154 3.310 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.452 14.669 1.016 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.987 15.508 1.120 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.142 13.257 1.275 1.00 0.00 H new ATOM 0 HG3 GLU B 56 1.590 12.486 1.016 1.00 0.00 H new TER 1738 GLU B 56