USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HD1:sc= -1.93! K(o=-2.2!,f=-1.4) USER MOD Set 1.2: A 64 ASN : amide:sc= -0.268! K(o=-2.2!,f=-1.4) USER MOD Set 2.1: A 61 MET CE :methyl -120:sc= -1.27 (180deg=-5.8!) USER MOD Set 2.2: A 79 TYR OH : rot -179:sc= -0.897 USER MOD Set 3.1: A 37 ASN : amide:sc= -0.906 K(o=-1.3,f=-4.8) USER MOD Set 3.2: A 42 GLN : amide:sc= -0.406 K(o=-1.3,f=-5.4) USER MOD Set 4.1: A 28 GLN : amide:sc= 0.362 X(o=-0.56,f=-0.76) USER MOD Set 4.2: A 53 HIS : no HE2:sc= -0.922 K(o=-0.56,f=-5!) USER MOD Set 5.1: A 8 MET CE :methyl -170:sc= -0.0524 (180deg=-0.199) USER MOD Set 5.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -179:sc= 1.38 USER MOD Single : A 2 ASN : amide:sc= 0.462 K(o=0.46,f=-3.4!) USER MOD Single : A 5 MET CE :methyl 179:sc= 0 (180deg=-0.00741) USER MOD Single : A 11 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 14 THR OG1 : rot -63:sc= 1.39 USER MOD Single : A 21 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.6!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= -1.06 (180deg=-1.06) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0441) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -56:sc= 0.451 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.962 K(o=0.96,f=-0.23) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0904 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 66 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.337 K(o=-0.34,f=-5.4!) USER MOD Single : A 73 GLN : amide:sc= -4.6! C(o=-4.6!,f=-3.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -165:sc= -0.235 (180deg=-0.745) USER MOD Single : A 78 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.0046) USER MOD Single : A 80 SER OG : rot 170:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.019 10.379 -2.047 1.00 44.22 N ATOM 2 CA SER A 1 -4.945 8.997 -2.522 1.00 41.33 C ATOM 3 C SER A 1 -5.481 8.070 -1.454 1.00 75.14 C ATOM 4 O SER A 1 -6.508 7.438 -1.679 1.00 11.21 O ATOM 5 CB SER A 1 -3.537 8.588 -2.943 1.00 71.44 C ATOM 6 OG SER A 1 -2.613 8.790 -1.905 1.00 31.01 O ATOM 0 H1 SER A 1 -4.651 11.018 -2.780 1.00 44.22 H new ATOM 0 H2 SER A 1 -6.009 10.623 -1.841 1.00 44.22 H new ATOM 0 H3 SER A 1 -4.450 10.480 -1.182 1.00 44.22 H new ATOM 0 HA SER A 1 -5.560 8.922 -3.419 1.00 41.33 H new ATOM 0 HB2 SER A 1 -3.534 7.538 -3.236 1.00 71.44 H new ATOM 0 HB3 SER A 1 -3.235 9.164 -3.818 1.00 71.44 H new ATOM 0 HG SER A 1 -1.718 8.528 -2.208 1.00 31.01 H new ATOM 11 N ASN A 2 -4.759 7.972 -0.325 1.00 35.25 N ATOM 12 CA ASN A 2 -4.957 7.175 0.852 1.00 24.22 C ATOM 13 C ASN A 2 -4.636 5.723 0.532 1.00 34.32 C ATOM 14 O ASN A 2 -4.665 4.902 1.434 1.00 3.52 O ATOM 15 CB ASN A 2 -6.386 7.440 1.348 1.00 2.25 C ATOM 16 CG ASN A 2 -6.682 7.092 2.782 1.00 14.23 C ATOM 17 OD1 ASN A 2 -7.119 7.931 3.554 1.00 4.44 O ATOM 18 ND2 ASN A 2 -6.406 5.882 3.187 1.00 41.14 N ATOM 0 H ASN A 2 -3.914 8.535 -0.226 1.00 35.25 H new ATOM 0 HA ASN A 2 -4.285 7.437 1.669 1.00 24.22 H new ATOM 0 HB2 ASN A 2 -6.605 8.498 1.203 1.00 2.25 H new ATOM 0 HB3 ASN A 2 -7.075 6.882 0.714 1.00 2.25 H new ATOM 0 HD21 ASN A 2 -6.555 5.624 4.163 1.00 41.14 H new ATOM 0 HD22 ASN A 2 -6.042 5.194 2.528 1.00 41.14 H new ATOM 24 N ILE A 3 -4.270 5.386 -0.708 1.00 1.11 N ATOM 25 CA ILE A 3 -4.014 4.021 -1.107 1.00 14.13 C ATOM 26 C ILE A 3 -2.857 4.057 -2.089 1.00 23.05 C ATOM 27 O ILE A 3 -2.791 4.936 -2.941 1.00 24.15 O ATOM 28 CB ILE A 3 -5.267 3.394 -1.756 1.00 32.25 C ATOM 29 CG1 ILE A 3 -6.524 3.545 -0.866 1.00 31.22 C ATOM 30 CG2 ILE A 3 -4.993 1.911 -2.069 1.00 4.31 C ATOM 31 CD1 ILE A 3 -7.809 2.952 -1.453 1.00 54.40 C ATOM 0 H ILE A 3 -4.145 6.065 -1.459 1.00 1.11 H new ATOM 0 HA ILE A 3 -3.766 3.406 -0.242 1.00 14.13 H new ATOM 0 HB ILE A 3 -5.474 3.931 -2.682 1.00 32.25 H new ATOM 0 HG12 ILE A 3 -6.329 3.070 0.096 1.00 31.22 H new ATOM 0 HG13 ILE A 3 -6.687 4.605 -0.671 1.00 31.22 H new ATOM 0 HG21 ILE A 3 -5.877 1.467 -2.527 1.00 4.31 H new ATOM 0 HG22 ILE A 3 -4.150 1.834 -2.756 1.00 4.31 H new ATOM 0 HG23 ILE A 3 -4.758 1.382 -1.146 1.00 4.31 H new ATOM 0 HD11 ILE A 3 -8.633 3.108 -0.756 1.00 54.40 H new ATOM 0 HD12 ILE A 3 -8.037 3.442 -2.400 1.00 54.40 H new ATOM 0 HD13 ILE A 3 -7.673 1.884 -1.621 1.00 54.40 H new ATOM 42 N VAL A 4 -2.006 3.053 -1.979 1.00 11.14 N ATOM 43 CA VAL A 4 -0.750 2.731 -2.654 1.00 14.42 C ATOM 44 C VAL A 4 -0.720 1.237 -2.933 1.00 33.05 C ATOM 45 O VAL A 4 -0.583 0.450 -2.003 1.00 63.44 O ATOM 46 CB VAL A 4 0.436 3.270 -1.833 1.00 1.12 C ATOM 47 CG1 VAL A 4 0.227 3.069 -0.364 1.00 11.45 C ATOM 48 CG2 VAL A 4 1.746 2.691 -2.370 1.00 53.53 C ATOM 0 H VAL A 4 -2.214 2.321 -1.300 1.00 11.14 H new ATOM 0 HA VAL A 4 -0.667 3.224 -3.623 1.00 14.42 H new ATOM 0 HB VAL A 4 0.503 4.351 -1.954 1.00 1.12 H new ATOM 0 HG11 VAL A 4 1.084 3.462 0.183 1.00 11.45 H new ATOM 0 HG12 VAL A 4 -0.675 3.594 -0.050 1.00 11.45 H new ATOM 0 HG13 VAL A 4 0.119 2.005 -0.154 1.00 11.45 H new ATOM 0 HG21 VAL A 4 2.581 3.076 -1.785 1.00 53.53 H new ATOM 0 HG22 VAL A 4 1.721 1.604 -2.295 1.00 53.53 H new ATOM 0 HG23 VAL A 4 1.871 2.980 -3.414 1.00 53.53 H new ATOM 58 N MET A 5 -0.878 0.842 -4.196 1.00 24.14 N ATOM 59 CA MET A 5 -0.562 -0.503 -4.643 1.00 64.14 C ATOM 60 C MET A 5 0.956 -0.597 -4.783 1.00 60.43 C ATOM 61 O MET A 5 1.536 0.139 -5.585 1.00 74.14 O ATOM 62 CB MET A 5 -1.276 -0.842 -5.966 1.00 11.15 C ATOM 63 CG MET A 5 -1.779 -2.282 -5.865 1.00 3.34 C ATOM 64 SD MET A 5 -2.895 -2.860 -7.163 1.00 14.42 S ATOM 65 CE MET A 5 -1.798 -2.749 -8.585 1.00 64.31 C ATOM 0 H MET A 5 -1.230 1.451 -4.935 1.00 24.14 H new ATOM 0 HA MET A 5 -0.916 -1.233 -3.916 1.00 64.14 H new ATOM 0 HB2 MET A 5 -2.107 -0.158 -6.139 1.00 11.15 H new ATOM 0 HB3 MET A 5 -0.593 -0.733 -6.808 1.00 11.15 H new ATOM 0 HG2 MET A 5 -0.912 -2.942 -5.846 1.00 3.34 H new ATOM 0 HG3 MET A 5 -2.287 -2.396 -4.907 1.00 3.34 H new ATOM 0 HE1 MET A 5 -2.324 -3.088 -9.478 1.00 64.31 H new ATOM 0 HE2 MET A 5 -1.482 -1.715 -8.721 1.00 64.31 H new ATOM 0 HE3 MET A 5 -0.923 -3.377 -8.419 1.00 64.31 H new ATOM 73 N LEU A 6 1.602 -1.462 -3.999 1.00 41.52 N ATOM 74 CA LEU A 6 3.015 -1.783 -4.142 1.00 3.43 C ATOM 75 C LEU A 6 3.072 -2.897 -5.169 1.00 14.34 C ATOM 76 O LEU A 6 2.552 -3.975 -4.889 1.00 11.52 O ATOM 77 CB LEU A 6 3.639 -2.278 -2.817 1.00 32.43 C ATOM 78 CG LEU A 6 3.839 -1.246 -1.689 1.00 72.43 C ATOM 79 CD1 LEU A 6 4.426 0.060 -2.229 1.00 51.52 C ATOM 80 CD2 LEU A 6 2.550 -0.987 -0.899 1.00 14.34 C ATOM 0 H LEU A 6 1.147 -1.964 -3.237 1.00 41.52 H new ATOM 0 HA LEU A 6 3.577 -0.897 -4.437 1.00 3.43 H new ATOM 0 HB2 LEU A 6 3.011 -3.080 -2.430 1.00 32.43 H new ATOM 0 HB3 LEU A 6 4.610 -2.716 -3.047 1.00 32.43 H new ATOM 0 HG LEU A 6 4.557 -1.678 -0.992 1.00 72.43 H new ATOM 0 HD11 LEU A 6 4.555 0.767 -1.410 1.00 51.52 H new ATOM 0 HD12 LEU A 6 5.392 -0.139 -2.692 1.00 51.52 H new ATOM 0 HD13 LEU A 6 3.749 0.484 -2.971 1.00 51.52 H new ATOM 0 HD21 LEU A 6 2.744 -0.253 -0.117 1.00 14.34 H new ATOM 0 HD22 LEU A 6 1.781 -0.606 -1.571 1.00 14.34 H new ATOM 0 HD23 LEU A 6 2.207 -1.918 -0.447 1.00 14.34 H new ATOM 91 N ARG A 7 3.624 -2.658 -6.358 1.00 34.44 N ATOM 92 CA ARG A 7 3.818 -3.709 -7.359 1.00 2.10 C ATOM 93 C ARG A 7 5.251 -4.221 -7.283 1.00 13.43 C ATOM 94 O ARG A 7 6.142 -3.479 -6.877 1.00 12.51 O ATOM 95 CB ARG A 7 3.523 -3.179 -8.771 1.00 63.25 C ATOM 96 CG ARG A 7 2.022 -2.972 -9.035 1.00 31.44 C ATOM 97 CD ARG A 7 1.708 -2.921 -10.540 1.00 32.23 C ATOM 98 NE ARG A 7 1.903 -4.243 -11.167 1.00 73.20 N ATOM 99 CZ ARG A 7 1.199 -4.786 -12.166 1.00 22.42 C ATOM 100 NH1 ARG A 7 0.370 -4.055 -12.901 1.00 31.12 N ATOM 101 NH2 ARG A 7 1.348 -6.084 -12.399 1.00 42.44 N ATOM 0 H ARG A 7 3.948 -1.737 -6.654 1.00 34.44 H new ATOM 0 HA ARG A 7 3.126 -4.525 -7.151 1.00 2.10 H new ATOM 0 HB2 ARG A 7 4.045 -2.233 -8.914 1.00 63.25 H new ATOM 0 HB3 ARG A 7 3.922 -3.878 -9.506 1.00 63.25 H new ATOM 0 HG2 ARG A 7 1.457 -3.781 -8.573 1.00 31.44 H new ATOM 0 HG3 ARG A 7 1.695 -2.045 -8.564 1.00 31.44 H new ATOM 0 HD2 ARG A 7 0.680 -2.592 -10.689 1.00 32.23 H new ATOM 0 HD3 ARG A 7 2.351 -2.186 -11.025 1.00 32.23 H new ATOM 0 HE ARG A 7 2.665 -4.809 -10.794 1.00 73.20 H new ATOM 0 HH11 ARG A 7 0.261 -3.059 -12.708 1.00 31.12 H new ATOM 0 HH12 ARG A 7 -0.158 -4.489 -13.658 1.00 31.12 H new ATOM 0 HH21 ARG A 7 1.984 -6.636 -11.824 1.00 42.44 H new ATOM 0 HH22 ARG A 7 0.826 -6.530 -13.153 1.00 42.44 H new ATOM 112 N MET A 8 5.479 -5.433 -7.793 1.00 74.23 N ATOM 113 CA MET A 8 6.784 -6.084 -7.910 1.00 53.42 C ATOM 114 C MET A 8 7.335 -6.471 -6.531 1.00 64.25 C ATOM 115 O MET A 8 8.499 -6.215 -6.225 1.00 23.14 O ATOM 116 CB MET A 8 7.783 -5.258 -8.758 1.00 31.43 C ATOM 117 CG MET A 8 7.160 -4.551 -9.969 1.00 12.11 C ATOM 118 SD MET A 8 8.321 -3.833 -11.165 1.00 43.21 S ATOM 119 CE MET A 8 9.598 -3.144 -10.072 1.00 12.22 C ATOM 0 H MET A 8 4.722 -6.014 -8.153 1.00 74.23 H new ATOM 0 HA MET A 8 6.641 -7.013 -8.462 1.00 53.42 H new ATOM 0 HB2 MET A 8 8.251 -4.510 -8.118 1.00 31.43 H new ATOM 0 HB3 MET A 8 8.576 -5.919 -9.108 1.00 31.43 H new ATOM 0 HG2 MET A 8 6.526 -5.266 -10.494 1.00 12.11 H new ATOM 0 HG3 MET A 8 6.509 -3.756 -9.604 1.00 12.11 H new ATOM 0 HE1 MET A 8 10.278 -2.522 -10.654 1.00 12.22 H new ATOM 0 HE2 MET A 8 9.126 -2.539 -9.297 1.00 12.22 H new ATOM 0 HE3 MET A 8 10.157 -3.957 -9.608 1.00 12.22 H new ATOM 127 N LEU A 9 6.523 -7.115 -5.690 1.00 44.15 N ATOM 128 CA LEU A 9 6.967 -7.646 -4.403 1.00 12.41 C ATOM 129 C LEU A 9 7.410 -9.099 -4.520 1.00 20.32 C ATOM 130 O LEU A 9 6.876 -9.823 -5.362 1.00 1.34 O ATOM 131 CB LEU A 9 5.797 -7.582 -3.410 1.00 74.12 C ATOM 132 CG LEU A 9 5.537 -6.178 -2.848 1.00 63.11 C ATOM 133 CD1 LEU A 9 4.297 -6.204 -1.959 1.00 12.23 C ATOM 134 CD2 LEU A 9 6.711 -5.660 -2.017 1.00 40.22 C ATOM 0 H LEU A 9 5.536 -7.283 -5.885 1.00 44.15 H new ATOM 0 HA LEU A 9 7.812 -7.047 -4.064 1.00 12.41 H new ATOM 0 HB2 LEU A 9 4.893 -7.938 -3.904 1.00 74.12 H new ATOM 0 HB3 LEU A 9 5.997 -8.263 -2.583 1.00 74.12 H new ATOM 0 HG LEU A 9 5.397 -5.513 -3.700 1.00 63.11 H new ATOM 0 HD11 LEU A 9 4.114 -5.206 -1.561 1.00 12.23 H new ATOM 0 HD12 LEU A 9 3.436 -6.524 -2.545 1.00 12.23 H new ATOM 0 HD13 LEU A 9 4.454 -6.900 -1.135 1.00 12.23 H new ATOM 0 HD21 LEU A 9 6.479 -4.663 -1.641 1.00 40.22 H new ATOM 0 HD22 LEU A 9 6.887 -6.332 -1.177 1.00 40.22 H new ATOM 0 HD23 LEU A 9 7.605 -5.614 -2.639 1.00 40.22 H new ATOM 145 N PRO A 10 8.326 -9.546 -3.641 1.00 23.00 N ATOM 146 CA PRO A 10 8.570 -10.960 -3.414 1.00 74.14 C ATOM 147 C PRO A 10 7.526 -11.571 -2.485 1.00 34.41 C ATOM 148 O PRO A 10 6.829 -10.867 -1.748 1.00 32.10 O ATOM 149 CB PRO A 10 9.939 -11.010 -2.748 1.00 15.44 C ATOM 150 CG PRO A 10 9.989 -9.720 -1.930 1.00 53.41 C ATOM 151 CD PRO A 10 9.160 -8.737 -2.752 1.00 13.13 C ATOM 0 HA PRO A 10 8.522 -11.525 -4.345 1.00 74.14 H new ATOM 0 HB2 PRO A 10 10.045 -11.891 -2.114 1.00 15.44 H new ATOM 0 HB3 PRO A 10 10.742 -11.049 -3.484 1.00 15.44 H new ATOM 0 HG2 PRO A 10 9.570 -9.861 -0.934 1.00 53.41 H new ATOM 0 HG3 PRO A 10 11.012 -9.369 -1.799 1.00 53.41 H new ATOM 0 HD2 PRO A 10 8.545 -8.111 -2.105 1.00 13.13 H new ATOM 0 HD3 PRO A 10 9.804 -8.069 -3.324 1.00 13.13 H new ATOM 156 N GLN A 11 7.517 -12.900 -2.446 1.00 73.31 N ATOM 157 CA GLN A 11 6.684 -13.689 -1.554 1.00 15.33 C ATOM 158 C GLN A 11 7.294 -13.799 -0.156 1.00 21.44 C ATOM 159 O GLN A 11 6.566 -14.055 0.799 1.00 40.34 O ATOM 160 CB GLN A 11 6.507 -15.082 -2.167 1.00 0.31 C ATOM 161 CG GLN A 11 5.322 -15.879 -1.631 1.00 61.20 C ATOM 162 CD GLN A 11 3.952 -15.331 -2.012 1.00 32.32 C ATOM 163 OE1 GLN A 11 3.584 -15.264 -3.185 1.00 3.11 O ATOM 164 NE2 GLN A 11 3.133 -15.009 -1.032 1.00 34.32 N ATOM 0 H GLN A 11 8.106 -13.471 -3.052 1.00 73.31 H new ATOM 0 HA GLN A 11 5.719 -13.195 -1.442 1.00 15.33 H new ATOM 0 HB2 GLN A 11 6.395 -14.976 -3.246 1.00 0.31 H new ATOM 0 HB3 GLN A 11 7.418 -15.656 -1.996 1.00 0.31 H new ATOM 0 HG2 GLN A 11 5.400 -16.904 -1.992 1.00 61.20 H new ATOM 0 HG3 GLN A 11 5.392 -15.918 -0.544 1.00 61.20 H new ATOM 0 HE21 GLN A 11 3.448 -15.068 -0.064 1.00 34.32 H new ATOM 0 HE22 GLN A 11 2.184 -14.701 -1.241 1.00 34.32 H new ATOM 171 N ALA A 12 8.611 -13.641 0.004 1.00 52.21 N ATOM 172 CA ALA A 12 9.205 -13.838 1.320 1.00 60.02 C ATOM 173 C ALA A 12 8.863 -12.694 2.277 1.00 0.13 C ATOM 174 O ALA A 12 8.676 -12.938 3.466 1.00 51.41 O ATOM 175 CB ALA A 12 10.715 -13.986 1.188 1.00 75.33 C ATOM 0 H ALA A 12 9.264 -13.386 -0.737 1.00 52.21 H new ATOM 0 HA ALA A 12 8.786 -14.751 1.743 1.00 60.02 H new ATOM 0 HB1 ALA A 12 11.154 -14.133 2.175 1.00 75.33 H new ATOM 0 HB2 ALA A 12 10.943 -14.846 0.558 1.00 75.33 H new ATOM 0 HB3 ALA A 12 11.131 -13.085 0.737 1.00 75.33 H new ATOM 181 N ALA A 13 8.747 -11.477 1.733 1.00 24.31 N ATOM 182 CA ALA A 13 8.511 -10.229 2.457 1.00 43.41 C ATOM 183 C ALA A 13 7.324 -10.322 3.423 1.00 40.53 C ATOM 184 O ALA A 13 6.420 -11.140 3.215 1.00 44.34 O ATOM 185 CB ALA A 13 8.262 -9.136 1.410 1.00 4.12 C ATOM 0 H ALA A 13 8.819 -11.332 0.726 1.00 24.31 H new ATOM 0 HA ALA A 13 9.382 -10.002 3.072 1.00 43.41 H new ATOM 0 HB1 ALA A 13 8.081 -8.186 1.912 1.00 4.12 H new ATOM 0 HB2 ALA A 13 9.136 -9.045 0.764 1.00 4.12 H new ATOM 0 HB3 ALA A 13 7.392 -9.400 0.808 1.00 4.12 H new ATOM 191 N THR A 14 7.255 -9.427 4.410 1.00 62.01 N ATOM 192 CA THR A 14 6.220 -9.473 5.434 1.00 20.22 C ATOM 193 C THR A 14 5.556 -8.112 5.608 1.00 3.43 C ATOM 194 O THR A 14 6.072 -7.095 5.126 1.00 44.13 O ATOM 195 CB THR A 14 6.872 -9.970 6.742 1.00 55.35 C ATOM 196 OG1 THR A 14 7.839 -9.037 7.191 1.00 44.51 O ATOM 197 CG2 THR A 14 7.535 -11.345 6.611 1.00 73.22 C ATOM 0 H THR A 14 7.913 -8.655 4.518 1.00 62.01 H new ATOM 0 HA THR A 14 5.426 -10.159 5.140 1.00 20.22 H new ATOM 0 HB THR A 14 6.061 -10.067 7.463 1.00 55.35 H new ATOM 0 HG1 THR A 14 8.561 -8.972 6.532 1.00 44.51 H new ATOM 0 HG21 THR A 14 7.972 -11.631 7.568 1.00 73.22 H new ATOM 0 HG22 THR A 14 6.788 -12.083 6.319 1.00 73.22 H new ATOM 0 HG23 THR A 14 8.317 -11.301 5.853 1.00 73.22 H new ATOM 205 N GLU A 15 4.394 -8.083 6.275 1.00 1.32 N ATOM 206 CA GLU A 15 3.757 -6.843 6.676 1.00 2.25 C ATOM 207 C GLU A 15 4.736 -6.043 7.541 1.00 12.43 C ATOM 208 O GLU A 15 4.867 -4.839 7.353 1.00 0.30 O ATOM 209 CB GLU A 15 2.418 -7.124 7.390 1.00 31.34 C ATOM 210 CG GLU A 15 1.414 -5.972 7.222 1.00 52.10 C ATOM 211 CD GLU A 15 0.192 -6.101 8.143 1.00 60.11 C ATOM 212 OE1 GLU A 15 -0.573 -7.084 7.989 1.00 64.31 O ATOM 213 OE2 GLU A 15 -0.020 -5.185 8.976 1.00 31.23 O ATOM 0 H GLU A 15 3.879 -8.921 6.546 1.00 1.32 H new ATOM 0 HA GLU A 15 3.511 -6.243 5.800 1.00 2.25 H new ATOM 0 HB2 GLU A 15 1.984 -8.042 6.994 1.00 31.34 H new ATOM 0 HB3 GLU A 15 2.603 -7.290 8.451 1.00 31.34 H new ATOM 0 HG2 GLU A 15 1.917 -5.027 7.425 1.00 52.10 H new ATOM 0 HG3 GLU A 15 1.079 -5.938 6.185 1.00 52.10 H new ATOM 218 N ASP A 16 5.471 -6.720 8.428 1.00 24.40 N ATOM 219 CA ASP A 16 6.439 -6.143 9.356 1.00 12.31 C ATOM 220 C ASP A 16 7.592 -5.451 8.643 1.00 1.14 C ATOM 221 O ASP A 16 8.033 -4.391 9.093 1.00 3.13 O ATOM 222 CB ASP A 16 6.955 -7.222 10.310 1.00 61.11 C ATOM 223 CG ASP A 16 6.009 -7.342 11.496 1.00 43.43 C ATOM 224 OD1 ASP A 16 6.111 -6.507 12.419 1.00 14.14 O ATOM 225 OD2 ASP A 16 5.141 -8.247 11.467 1.00 33.31 O ATOM 0 H ASP A 16 5.401 -7.733 8.520 1.00 24.40 H new ATOM 0 HA ASP A 16 5.924 -5.372 9.929 1.00 12.31 H new ATOM 0 HB2 ASP A 16 7.028 -8.178 9.791 1.00 61.11 H new ATOM 0 HB3 ASP A 16 7.958 -6.969 10.655 1.00 61.11 H new ATOM 229 N ASP A 17 8.041 -5.993 7.509 1.00 74.24 N ATOM 230 CA ASP A 17 9.074 -5.359 6.691 1.00 54.21 C ATOM 231 C ASP A 17 8.586 -3.996 6.206 1.00 31.11 C ATOM 232 O ASP A 17 9.339 -3.020 6.232 1.00 13.10 O ATOM 233 CB ASP A 17 9.456 -6.210 5.475 1.00 0.54 C ATOM 234 CG ASP A 17 10.412 -7.347 5.819 1.00 34.14 C ATOM 235 OD1 ASP A 17 11.571 -7.061 6.225 1.00 42.42 O ATOM 236 OD2 ASP A 17 9.976 -8.512 5.671 1.00 41.52 O ATOM 0 H ASP A 17 7.700 -6.879 7.135 1.00 74.24 H new ATOM 0 HA ASP A 17 9.958 -5.250 7.319 1.00 54.21 H new ATOM 0 HB2 ASP A 17 8.551 -6.625 5.031 1.00 0.54 H new ATOM 0 HB3 ASP A 17 9.917 -5.571 4.722 1.00 0.54 H new ATOM 240 N ILE A 18 7.321 -3.914 5.773 1.00 11.31 N ATOM 241 CA ILE A 18 6.737 -2.645 5.353 1.00 72.45 C ATOM 242 C ILE A 18 6.574 -1.757 6.576 1.00 3.52 C ATOM 243 O ILE A 18 6.926 -0.585 6.523 1.00 13.54 O ATOM 244 CB ILE A 18 5.386 -2.805 4.613 1.00 61.04 C ATOM 245 CG1 ILE A 18 5.464 -3.913 3.554 1.00 23.34 C ATOM 246 CG2 ILE A 18 5.036 -1.472 3.930 1.00 72.32 C ATOM 247 CD1 ILE A 18 4.373 -3.923 2.474 1.00 13.13 C ATOM 0 H ILE A 18 6.689 -4.712 5.707 1.00 11.31 H new ATOM 0 HA ILE A 18 7.416 -2.189 4.633 1.00 72.45 H new ATOM 0 HB ILE A 18 4.619 -3.079 5.337 1.00 61.04 H new ATOM 0 HG12 ILE A 18 6.432 -3.839 3.057 1.00 23.34 H new ATOM 0 HG13 ILE A 18 5.441 -4.874 4.067 1.00 23.34 H new ATOM 0 HG21 ILE A 18 4.086 -1.571 3.405 1.00 72.32 H new ATOM 0 HG22 ILE A 18 4.955 -0.688 4.683 1.00 72.32 H new ATOM 0 HG23 ILE A 18 5.819 -1.211 3.218 1.00 72.32 H new ATOM 0 HD11 ILE A 18 4.545 -4.755 1.791 1.00 13.13 H new ATOM 0 HD12 ILE A 18 3.396 -4.036 2.944 1.00 13.13 H new ATOM 0 HD13 ILE A 18 4.402 -2.985 1.919 1.00 13.13 H new ATOM 258 N ARG A 19 6.013 -2.272 7.666 1.00 21.13 N ATOM 259 CA ARG A 19 5.696 -1.490 8.860 1.00 35.13 C ATOM 260 C ARG A 19 6.951 -0.793 9.392 1.00 51.53 C ATOM 261 O ARG A 19 6.855 0.364 9.814 1.00 1.43 O ATOM 262 CB ARG A 19 5.034 -2.423 9.877 1.00 22.03 C ATOM 263 CG ARG A 19 3.601 -2.818 9.484 1.00 51.33 C ATOM 264 CD ARG A 19 3.168 -4.120 10.170 1.00 3.23 C ATOM 265 NE ARG A 19 2.775 -3.926 11.570 1.00 30.14 N ATOM 266 CZ ARG A 19 1.569 -3.519 11.980 1.00 32.25 C ATOM 267 NH1 ARG A 19 0.553 -3.403 11.126 1.00 50.40 N ATOM 268 NH2 ARG A 19 1.383 -3.262 13.268 1.00 53.34 N ATOM 0 H ARG A 19 5.762 -3.257 7.747 1.00 21.13 H new ATOM 0 HA ARG A 19 4.993 -0.688 8.633 1.00 35.13 H new ATOM 0 HB2 ARG A 19 5.638 -3.324 9.982 1.00 22.03 H new ATOM 0 HB3 ARG A 19 5.017 -1.936 10.852 1.00 22.03 H new ATOM 0 HG2 ARG A 19 2.914 -2.017 9.756 1.00 51.33 H new ATOM 0 HG3 ARG A 19 3.539 -2.938 8.402 1.00 51.33 H new ATOM 0 HD2 ARG A 19 2.332 -4.554 9.620 1.00 3.23 H new ATOM 0 HD3 ARG A 19 3.987 -4.838 10.124 1.00 3.23 H new ATOM 0 HE ARG A 19 3.476 -4.116 12.286 1.00 30.14 H new ATOM 0 HH11 ARG A 19 0.688 -3.626 10.140 1.00 50.40 H new ATOM 0 HH12 ARG A 19 -0.359 -3.091 11.458 1.00 50.40 H new ATOM 0 HH21 ARG A 19 2.153 -3.376 13.927 1.00 53.34 H new ATOM 0 HH22 ARG A 19 0.470 -2.951 13.599 1.00 53.34 H new ATOM 279 N GLY A 20 8.120 -1.426 9.269 1.00 4.24 N ATOM 280 CA GLY A 20 9.406 -0.822 9.586 1.00 34.44 C ATOM 281 C GLY A 20 9.782 0.283 8.598 1.00 11.44 C ATOM 282 O GLY A 20 10.225 1.351 9.028 1.00 61.02 O ATOM 0 H GLY A 20 8.195 -2.389 8.940 1.00 4.24 H new ATOM 0 HA2 GLY A 20 9.374 -0.410 10.595 1.00 34.44 H new ATOM 0 HA3 GLY A 20 10.178 -1.591 9.580 1.00 34.44 H new ATOM 286 N GLN A 21 9.583 0.076 7.286 1.00 73.43 N ATOM 287 CA GLN A 21 9.815 1.109 6.278 1.00 3.44 C ATOM 288 C GLN A 21 8.946 2.319 6.621 1.00 54.35 C ATOM 289 O GLN A 21 9.441 3.438 6.679 1.00 0.50 O ATOM 290 CB GLN A 21 9.505 0.608 4.848 1.00 52.24 C ATOM 291 CG GLN A 21 10.527 -0.381 4.247 1.00 0.33 C ATOM 292 CD GLN A 21 11.331 0.196 3.076 1.00 21.24 C ATOM 293 OE1 GLN A 21 11.474 -0.427 2.032 1.00 34.21 O ATOM 294 NE2 GLN A 21 11.835 1.412 3.183 1.00 62.05 N ATOM 0 H GLN A 21 9.258 -0.811 6.901 1.00 73.43 H new ATOM 0 HA GLN A 21 10.870 1.381 6.290 1.00 3.44 H new ATOM 0 HB2 GLN A 21 8.526 0.130 4.855 1.00 52.24 H new ATOM 0 HB3 GLN A 21 9.433 1.472 4.188 1.00 52.24 H new ATOM 0 HG2 GLN A 21 11.217 -0.696 5.029 1.00 0.33 H new ATOM 0 HG3 GLN A 21 10.000 -1.273 3.909 1.00 0.33 H new ATOM 0 HE21 GLN A 21 11.720 1.937 4.050 1.00 62.05 H new ATOM 0 HE22 GLN A 21 12.339 1.826 2.399 1.00 62.05 H new ATOM 301 N LEU A 22 7.651 2.110 6.861 1.00 1.44 N ATOM 302 CA LEU A 22 6.665 3.171 7.045 1.00 34.31 C ATOM 303 C LEU A 22 7.059 4.064 8.220 1.00 42.53 C ATOM 304 O LEU A 22 7.061 5.291 8.099 1.00 51.25 O ATOM 305 CB LEU A 22 5.266 2.578 7.279 1.00 53.21 C ATOM 306 CG LEU A 22 4.761 1.781 6.061 1.00 52.12 C ATOM 307 CD1 LEU A 22 3.856 0.618 6.485 1.00 42.15 C ATOM 308 CD2 LEU A 22 4.059 2.719 5.084 1.00 71.14 C ATOM 0 H LEU A 22 7.251 1.175 6.934 1.00 1.44 H new ATOM 0 HA LEU A 22 6.638 3.773 6.137 1.00 34.31 H new ATOM 0 HB2 LEU A 22 5.291 1.927 8.153 1.00 53.21 H new ATOM 0 HB3 LEU A 22 4.565 3.382 7.501 1.00 53.21 H new ATOM 0 HG LEU A 22 5.618 1.338 5.555 1.00 52.12 H new ATOM 0 HD11 LEU A 22 3.519 0.078 5.600 1.00 42.15 H new ATOM 0 HD12 LEU A 22 4.413 -0.059 7.133 1.00 42.15 H new ATOM 0 HD13 LEU A 22 2.992 1.007 7.024 1.00 42.15 H new ATOM 0 HD21 LEU A 22 3.704 2.150 4.225 1.00 71.14 H new ATOM 0 HD22 LEU A 22 3.212 3.194 5.580 1.00 71.14 H new ATOM 0 HD23 LEU A 22 4.758 3.485 4.748 1.00 71.14 H new ATOM 319 N GLN A 23 7.445 3.451 9.341 1.00 24.02 N ATOM 320 CA GLN A 23 7.903 4.124 10.540 1.00 13.32 C ATOM 321 C GLN A 23 9.127 4.999 10.236 1.00 63.42 C ATOM 322 O GLN A 23 9.218 6.110 10.761 1.00 64.21 O ATOM 323 CB GLN A 23 8.197 3.029 11.575 1.00 63.03 C ATOM 324 CG GLN A 23 8.953 3.547 12.795 1.00 14.20 C ATOM 325 CD GLN A 23 9.362 2.426 13.741 1.00 71.32 C ATOM 326 OE1 GLN A 23 9.656 1.312 13.319 1.00 2.33 O ATOM 327 NE2 GLN A 23 9.454 2.699 15.025 1.00 1.54 N ATOM 0 H GLN A 23 7.444 2.435 9.433 1.00 24.02 H new ATOM 0 HA GLN A 23 7.149 4.805 10.934 1.00 13.32 H new ATOM 0 HB2 GLN A 23 7.257 2.582 11.900 1.00 63.03 H new ATOM 0 HB3 GLN A 23 8.779 2.238 11.103 1.00 63.03 H new ATOM 0 HG2 GLN A 23 9.842 4.085 12.467 1.00 14.20 H new ATOM 0 HG3 GLN A 23 8.328 4.261 13.331 1.00 14.20 H new ATOM 0 HE21 GLN A 23 9.208 3.628 15.368 1.00 1.54 H new ATOM 0 HE22 GLN A 23 9.772 1.982 15.677 1.00 1.54 H new ATOM 334 N SER A 24 10.038 4.524 9.382 1.00 53.41 N ATOM 335 CA SER A 24 11.235 5.232 8.939 1.00 54.22 C ATOM 336 C SER A 24 10.890 6.577 8.279 1.00 40.15 C ATOM 337 O SER A 24 11.654 7.541 8.381 1.00 61.14 O ATOM 338 CB SER A 24 11.968 4.320 7.944 1.00 43.32 C ATOM 339 OG SER A 24 13.357 4.239 8.175 1.00 3.43 O ATOM 0 H SER A 24 9.955 3.597 8.965 1.00 53.41 H new ATOM 0 HA SER A 24 11.865 5.459 9.799 1.00 54.22 H new ATOM 0 HB2 SER A 24 11.540 3.319 7.997 1.00 43.32 H new ATOM 0 HB3 SER A 24 11.797 4.687 6.932 1.00 43.32 H new ATOM 0 HG SER A 24 13.765 3.644 7.512 1.00 3.43 H new ATOM 344 N HIS A 25 9.734 6.669 7.611 1.00 74.22 N ATOM 345 CA HIS A 25 9.262 7.922 7.025 1.00 72.34 C ATOM 346 C HIS A 25 8.375 8.714 7.985 1.00 2.30 C ATOM 347 O HIS A 25 8.083 9.888 7.733 1.00 0.10 O ATOM 348 CB HIS A 25 8.537 7.669 5.706 1.00 34.12 C ATOM 349 CG HIS A 25 9.340 6.845 4.750 1.00 61.12 C ATOM 350 ND1 HIS A 25 10.311 7.290 3.888 1.00 54.52 N ATOM 351 CD2 HIS A 25 9.216 5.500 4.589 1.00 20.13 C ATOM 352 CE1 HIS A 25 10.768 6.213 3.227 1.00 44.21 C ATOM 353 NE2 HIS A 25 10.106 5.102 3.599 1.00 21.33 N ATOM 0 H HIS A 25 9.105 5.880 7.464 1.00 74.22 H new ATOM 0 HA HIS A 25 10.144 8.530 6.826 1.00 72.34 H new ATOM 0 HB2 HIS A 25 7.592 7.165 5.907 1.00 34.12 H new ATOM 0 HB3 HIS A 25 8.296 8.625 5.241 1.00 34.12 H new ATOM 0 HD2 HIS A 25 8.544 4.855 5.135 1.00 20.13 H new ATOM 0 HE1 HIS A 25 11.561 6.236 2.494 1.00 44.21 H new ATOM 0 HE2 HIS A 25 10.232 4.160 3.229 1.00 21.33 H new ATOM 360 N GLY A 26 7.973 8.088 9.091 1.00 34.12 N ATOM 361 CA GLY A 26 7.286 8.717 10.196 1.00 53.24 C ATOM 362 C GLY A 26 5.854 8.233 10.355 1.00 2.54 C ATOM 363 O GLY A 26 5.072 8.914 11.027 1.00 10.31 O ATOM 0 H GLY A 26 8.128 7.091 9.238 1.00 34.12 H new ATOM 0 HA2 GLY A 26 7.835 8.521 11.117 1.00 53.24 H new ATOM 0 HA3 GLY A 26 7.285 9.797 10.049 1.00 53.24 H new ATOM 367 N VAL A 27 5.474 7.099 9.756 1.00 71.14 N ATOM 368 CA VAL A 27 4.066 6.799 9.524 1.00 44.45 C ATOM 369 C VAL A 27 3.682 5.449 10.145 1.00 74.12 C ATOM 370 O VAL A 27 4.421 4.467 10.066 1.00 44.15 O ATOM 371 CB VAL A 27 3.749 6.855 8.012 1.00 54.51 C ATOM 372 CG1 VAL A 27 2.264 7.204 7.829 1.00 15.52 C ATOM 373 CG2 VAL A 27 4.592 7.847 7.197 1.00 41.24 C ATOM 0 H VAL A 27 6.120 6.382 9.427 1.00 71.14 H new ATOM 0 HA VAL A 27 3.459 7.558 10.017 1.00 44.45 H new ATOM 0 HB VAL A 27 4.000 5.868 7.625 1.00 54.51 H new ATOM 0 HG11 VAL A 27 2.029 7.246 6.766 1.00 15.52 H new ATOM 0 HG12 VAL A 27 1.649 6.441 8.307 1.00 15.52 H new ATOM 0 HG13 VAL A 27 2.059 8.173 8.285 1.00 15.52 H new ATOM 0 HG21 VAL A 27 4.290 7.807 6.150 1.00 41.24 H new ATOM 0 HG22 VAL A 27 4.439 8.856 7.581 1.00 41.24 H new ATOM 0 HG23 VAL A 27 5.646 7.583 7.281 1.00 41.24 H new ATOM 383 N GLN A 28 2.483 5.402 10.729 1.00 13.40 N ATOM 384 CA GLN A 28 1.920 4.228 11.394 1.00 50.51 C ATOM 385 C GLN A 28 1.563 3.101 10.409 1.00 25.02 C ATOM 386 O GLN A 28 1.567 1.935 10.803 1.00 54.14 O ATOM 387 CB GLN A 28 0.681 4.646 12.222 1.00 72.31 C ATOM 388 CG GLN A 28 -0.424 5.367 11.421 1.00 65.31 C ATOM 389 CD GLN A 28 -1.768 5.420 12.149 1.00 34.44 C ATOM 390 OE1 GLN A 28 -2.368 4.393 12.435 1.00 13.45 O ATOM 391 NE2 GLN A 28 -2.324 6.599 12.372 1.00 50.43 N ATOM 0 H GLN A 28 1.858 6.207 10.752 1.00 13.40 H new ATOM 0 HA GLN A 28 2.686 3.825 12.057 1.00 50.51 H new ATOM 0 HB2 GLN A 28 0.253 3.756 12.683 1.00 72.31 H new ATOM 0 HB3 GLN A 28 1.007 5.299 13.032 1.00 72.31 H new ATOM 0 HG2 GLN A 28 -0.098 6.384 11.201 1.00 65.31 H new ATOM 0 HG3 GLN A 28 -0.557 4.861 10.465 1.00 65.31 H new ATOM 0 HE21 GLN A 28 -1.821 7.453 12.132 1.00 50.43 H new ATOM 0 HE22 GLN A 28 -3.256 6.654 12.784 1.00 50.43 H new ATOM 398 N ALA A 29 1.226 3.460 9.161 1.00 31.10 N ATOM 399 CA ALA A 29 0.352 2.712 8.256 1.00 14.22 C ATOM 400 C ALA A 29 -0.888 2.203 8.974 1.00 72.31 C ATOM 401 O ALA A 29 -0.897 1.107 9.542 1.00 63.01 O ATOM 402 CB ALA A 29 1.029 1.588 7.507 1.00 43.14 C ATOM 0 H ALA A 29 1.574 4.321 8.739 1.00 31.10 H new ATOM 0 HA ALA A 29 0.059 3.437 7.497 1.00 14.22 H new ATOM 0 HB1 ALA A 29 0.304 1.092 6.862 1.00 43.14 H new ATOM 0 HB2 ALA A 29 1.839 1.992 6.899 1.00 43.14 H new ATOM 0 HB3 ALA A 29 1.434 0.868 8.219 1.00 43.14 H new ATOM 408 N ARG A 30 -1.943 3.014 8.950 1.00 12.11 N ATOM 409 CA ARG A 30 -3.163 2.648 9.645 1.00 12.54 C ATOM 410 C ARG A 30 -3.730 1.349 9.068 1.00 20.01 C ATOM 411 O ARG A 30 -4.239 0.530 9.832 1.00 32.14 O ATOM 412 CB ARG A 30 -4.147 3.828 9.632 1.00 72.00 C ATOM 413 CG ARG A 30 -5.137 3.743 10.799 1.00 70.33 C ATOM 414 CD ARG A 30 -6.372 2.943 10.410 1.00 44.54 C ATOM 415 NE ARG A 30 -7.314 2.817 11.523 1.00 5.32 N ATOM 416 CZ ARG A 30 -8.588 2.462 11.350 1.00 25.45 C ATOM 417 NH1 ARG A 30 -9.004 2.028 10.162 1.00 61.01 N ATOM 418 NH2 ARG A 30 -9.440 2.566 12.359 1.00 61.04 N ATOM 0 H ARG A 30 -1.974 3.911 8.465 1.00 12.11 H new ATOM 0 HA ARG A 30 -2.956 2.440 10.695 1.00 12.54 H new ATOM 0 HB2 ARG A 30 -3.594 4.766 9.689 1.00 72.00 H new ATOM 0 HB3 ARG A 30 -4.694 3.838 8.689 1.00 72.00 H new ATOM 0 HG2 ARG A 30 -4.653 3.277 11.658 1.00 70.33 H new ATOM 0 HG3 ARG A 30 -5.431 4.747 11.105 1.00 70.33 H new ATOM 0 HD2 ARG A 30 -6.867 3.427 9.568 1.00 44.54 H new ATOM 0 HD3 ARG A 30 -6.071 1.950 10.075 1.00 44.54 H new ATOM 0 HE ARG A 30 -6.983 3.008 12.469 1.00 5.32 H new ATOM 0 HH11 ARG A 30 -8.348 1.967 9.383 1.00 61.01 H new ATOM 0 HH12 ARG A 30 -9.978 1.757 10.031 1.00 61.01 H new ATOM 0 HH21 ARG A 30 -9.121 2.916 13.262 1.00 61.04 H new ATOM 0 HH22 ARG A 30 -10.415 2.296 12.233 1.00 61.04 H new ATOM 429 N GLU A 31 -3.570 1.087 7.769 1.00 43.22 N ATOM 430 CA GLU A 31 -3.851 -0.225 7.222 1.00 12.13 C ATOM 431 C GLU A 31 -2.756 -0.616 6.253 1.00 3.44 C ATOM 432 O GLU A 31 -2.128 0.244 5.636 1.00 33.14 O ATOM 433 CB GLU A 31 -5.222 -0.242 6.527 1.00 3.51 C ATOM 434 CG GLU A 31 -6.206 -1.106 7.302 1.00 24.25 C ATOM 435 CD GLU A 31 -6.957 -0.369 8.428 1.00 52.21 C ATOM 436 OE1 GLU A 31 -7.295 0.833 8.307 1.00 2.54 O ATOM 437 OE2 GLU A 31 -7.306 -1.053 9.425 1.00 13.42 O ATOM 0 H GLU A 31 -3.247 1.771 7.084 1.00 43.22 H new ATOM 0 HA GLU A 31 -3.880 -0.949 8.036 1.00 12.13 H new ATOM 0 HB2 GLU A 31 -5.607 0.774 6.447 1.00 3.51 H new ATOM 0 HB3 GLU A 31 -5.116 -0.624 5.512 1.00 3.51 H new ATOM 0 HG2 GLU A 31 -6.936 -1.517 6.605 1.00 24.25 H new ATOM 0 HG3 GLU A 31 -5.667 -1.949 7.734 1.00 24.25 H new ATOM 442 N VAL A 32 -2.560 -1.924 6.091 1.00 41.40 N ATOM 443 CA VAL A 32 -1.730 -2.493 5.050 1.00 43.54 C ATOM 444 C VAL A 32 -2.078 -3.959 4.802 1.00 73.11 C ATOM 445 O VAL A 32 -1.916 -4.821 5.666 1.00 64.02 O ATOM 446 CB VAL A 32 -0.227 -2.173 5.256 1.00 13.54 C ATOM 447 CG1 VAL A 32 0.267 -2.325 6.693 1.00 40.10 C ATOM 448 CG2 VAL A 32 0.684 -3.028 4.355 1.00 2.54 C ATOM 0 H VAL A 32 -2.986 -2.625 6.697 1.00 41.40 H new ATOM 0 HA VAL A 32 -1.960 -1.999 4.106 1.00 43.54 H new ATOM 0 HB VAL A 32 -0.160 -1.120 4.983 1.00 13.54 H new ATOM 0 HG11 VAL A 32 1.328 -2.081 6.741 1.00 40.10 H new ATOM 0 HG12 VAL A 32 -0.290 -1.650 7.343 1.00 40.10 H new ATOM 0 HG13 VAL A 32 0.116 -3.353 7.023 1.00 40.10 H new ATOM 0 HG21 VAL A 32 1.726 -2.766 4.538 1.00 2.54 H new ATOM 0 HG22 VAL A 32 0.531 -4.084 4.580 1.00 2.54 H new ATOM 0 HG23 VAL A 32 0.441 -2.841 3.309 1.00 2.54 H new ATOM 458 N ARG A 33 -2.566 -4.244 3.594 1.00 24.03 N ATOM 459 CA ARG A 33 -2.785 -5.598 3.109 1.00 75.31 C ATOM 460 C ARG A 33 -1.508 -6.069 2.425 1.00 34.31 C ATOM 461 O ARG A 33 -1.420 -5.998 1.197 1.00 12.31 O ATOM 462 CB ARG A 33 -4.022 -5.654 2.198 1.00 73.03 C ATOM 463 CG ARG A 33 -5.328 -5.460 2.998 1.00 61.14 C ATOM 464 CD ARG A 33 -6.435 -6.465 2.627 1.00 63.13 C ATOM 465 NE ARG A 33 -6.768 -6.483 1.192 1.00 51.33 N ATOM 466 CZ ARG A 33 -7.383 -5.513 0.504 1.00 72.44 C ATOM 467 NH1 ARG A 33 -7.755 -4.375 1.078 1.00 60.30 N ATOM 468 NH2 ARG A 33 -7.602 -5.721 -0.786 1.00 21.41 N ATOM 0 H ARG A 33 -2.823 -3.525 2.918 1.00 24.03 H new ATOM 0 HA ARG A 33 -2.999 -6.279 3.933 1.00 75.31 H new ATOM 0 HB2 ARG A 33 -3.946 -4.882 1.433 1.00 73.03 H new ATOM 0 HB3 ARG A 33 -4.051 -6.613 1.681 1.00 73.03 H new ATOM 0 HG2 ARG A 33 -5.109 -5.550 4.062 1.00 61.14 H new ATOM 0 HG3 ARG A 33 -5.698 -4.448 2.833 1.00 61.14 H new ATOM 0 HD2 ARG A 33 -6.122 -7.464 2.930 1.00 63.13 H new ATOM 0 HD3 ARG A 33 -7.334 -6.227 3.196 1.00 63.13 H new ATOM 0 HE ARG A 33 -6.503 -7.318 0.670 1.00 51.33 H new ATOM 0 HH11 ARG A 33 -7.574 -4.221 2.070 1.00 60.30 H new ATOM 0 HH12 ARG A 33 -8.222 -3.655 0.527 1.00 60.30 H new ATOM 0 HH21 ARG A 33 -7.305 -6.595 -1.219 1.00 21.41 H new ATOM 0 HH22 ARG A 33 -8.068 -5.007 -1.346 1.00 21.41 H new ATOM 479 N LEU A 34 -0.499 -6.523 3.184 1.00 21.04 N ATOM 480 CA LEU A 34 0.636 -7.225 2.596 1.00 53.10 C ATOM 481 C LEU A 34 0.204 -8.635 2.197 1.00 42.31 C ATOM 482 O LEU A 34 -0.812 -9.150 2.640 1.00 42.40 O ATOM 483 CB LEU A 34 1.807 -7.217 3.595 1.00 33.32 C ATOM 484 CG LEU A 34 3.207 -7.638 3.088 1.00 55.11 C ATOM 485 CD1 LEU A 34 3.551 -9.117 3.299 1.00 21.25 C ATOM 486 CD2 LEU A 34 3.547 -7.213 1.656 1.00 22.12 C ATOM 0 H LEU A 34 -0.452 -6.415 4.197 1.00 21.04 H new ATOM 0 HA LEU A 34 0.980 -6.725 1.690 1.00 53.10 H new ATOM 0 HB2 LEU A 34 1.890 -6.209 4.002 1.00 33.32 H new ATOM 0 HB3 LEU A 34 1.542 -7.874 4.423 1.00 33.32 H new ATOM 0 HG LEU A 34 3.851 -7.055 3.747 1.00 55.11 H new ATOM 0 HD11 LEU A 34 4.550 -9.317 2.912 1.00 21.25 H new ATOM 0 HD12 LEU A 34 3.520 -9.349 4.364 1.00 21.25 H new ATOM 0 HD13 LEU A 34 2.827 -9.738 2.771 1.00 21.25 H new ATOM 0 HD21 LEU A 34 4.549 -7.558 1.402 1.00 22.12 H new ATOM 0 HD22 LEU A 34 2.826 -7.651 0.966 1.00 22.12 H new ATOM 0 HD23 LEU A 34 3.508 -6.126 1.580 1.00 22.12 H new ATOM 497 N MET A 35 1.018 -9.292 1.393 1.00 24.41 N ATOM 498 CA MET A 35 0.933 -10.655 0.889 1.00 34.41 C ATOM 499 C MET A 35 0.890 -11.785 1.942 1.00 52.21 C ATOM 500 O MET A 35 1.095 -12.953 1.593 1.00 31.01 O ATOM 501 CB MET A 35 2.129 -10.828 -0.046 1.00 54.24 C ATOM 502 CG MET A 35 1.982 -9.962 -1.307 1.00 1.15 C ATOM 503 SD MET A 35 3.346 -10.028 -2.486 1.00 14.51 S ATOM 504 CE MET A 35 3.662 -11.807 -2.617 1.00 54.41 C ATOM 0 H MET A 35 1.854 -8.831 1.034 1.00 24.41 H new ATOM 0 HA MET A 35 -0.033 -10.764 0.395 1.00 34.41 H new ATOM 0 HB2 MET A 35 3.045 -10.558 0.479 1.00 54.24 H new ATOM 0 HB3 MET A 35 2.222 -11.876 -0.331 1.00 54.24 H new ATOM 0 HG2 MET A 35 1.069 -10.261 -1.823 1.00 1.15 H new ATOM 0 HG3 MET A 35 1.848 -8.926 -0.997 1.00 1.15 H new ATOM 0 HE1 MET A 35 4.481 -11.981 -3.314 1.00 54.41 H new ATOM 0 HE2 MET A 35 3.930 -12.202 -1.637 1.00 54.41 H new ATOM 0 HE3 MET A 35 2.765 -12.310 -2.978 1.00 54.41 H new ATOM 512 N ARG A 36 0.667 -11.494 3.223 1.00 42.33 N ATOM 513 CA ARG A 36 0.461 -12.470 4.281 1.00 52.32 C ATOM 514 C ARG A 36 -0.661 -11.955 5.160 1.00 44.53 C ATOM 515 O ARG A 36 -0.529 -10.861 5.700 1.00 32.12 O ATOM 516 CB ARG A 36 1.718 -12.616 5.141 1.00 15.44 C ATOM 517 CG ARG A 36 2.937 -13.058 4.340 1.00 31.25 C ATOM 518 CD ARG A 36 4.214 -13.029 5.188 1.00 32.33 C ATOM 519 NE ARG A 36 5.366 -13.551 4.436 1.00 60.42 N ATOM 520 CZ ARG A 36 5.730 -14.832 4.302 1.00 32.35 C ATOM 521 NH1 ARG A 36 5.209 -15.788 5.063 1.00 55.34 N ATOM 522 NH2 ARG A 36 6.607 -15.155 3.369 1.00 40.43 N ATOM 0 H ARG A 36 0.624 -10.532 3.561 1.00 42.33 H new ATOM 0 HA ARG A 36 0.225 -13.439 3.842 1.00 52.32 H new ATOM 0 HB2 ARG A 36 1.934 -11.663 5.625 1.00 15.44 H new ATOM 0 HB3 ARG A 36 1.528 -13.340 5.933 1.00 15.44 H new ATOM 0 HG2 ARG A 36 2.776 -14.067 3.959 1.00 31.25 H new ATOM 0 HG3 ARG A 36 3.060 -12.406 3.475 1.00 31.25 H new ATOM 0 HD2 ARG A 36 4.418 -12.007 5.507 1.00 32.33 H new ATOM 0 HD3 ARG A 36 4.067 -13.622 6.091 1.00 32.33 H new ATOM 0 HE ARG A 36 5.951 -12.861 3.965 1.00 60.42 H new ATOM 0 HH11 ARG A 36 4.513 -15.554 5.771 1.00 55.34 H new ATOM 0 HH12 ARG A 36 5.505 -16.756 4.939 1.00 55.34 H new ATOM 0 HH21 ARG A 36 6.997 -14.433 2.763 1.00 40.43 H new ATOM 0 HH22 ARG A 36 6.895 -16.127 3.254 1.00 40.43 H new ATOM 533 N ASN A 37 -1.758 -12.704 5.255 1.00 52.10 N ATOM 534 CA ASN A 37 -2.781 -12.681 6.288 1.00 1.44 C ATOM 535 C ASN A 37 -3.784 -13.783 5.969 1.00 31.05 C ATOM 536 O ASN A 37 -4.439 -13.693 4.924 1.00 13.21 O ATOM 537 CB ASN A 37 -3.545 -11.364 6.246 1.00 3.42 C ATOM 538 CG ASN A 37 -4.429 -11.101 7.439 1.00 21.03 C ATOM 539 OD1 ASN A 37 -4.542 -11.922 8.345 1.00 4.45 O ATOM 540 ND2 ASN A 37 -5.148 -9.997 7.379 1.00 51.42 N ATOM 0 H ASN A 37 -1.968 -13.405 4.544 1.00 52.10 H new ATOM 0 HA ASN A 37 -2.311 -12.810 7.263 1.00 1.44 H new ATOM 0 HB2 ASN A 37 -2.828 -10.548 6.157 1.00 3.42 H new ATOM 0 HB3 ASN A 37 -4.160 -11.347 5.346 1.00 3.42 H new ATOM 0 HD21 ASN A 37 -5.834 -9.795 8.106 1.00 51.42 H new ATOM 0 HD22 ASN A 37 -5.018 -9.345 6.606 1.00 51.42 H new ATOM 546 N LYS A 38 -3.971 -14.785 6.833 1.00 15.12 N ATOM 547 CA LYS A 38 -5.025 -15.788 6.590 1.00 63.42 C ATOM 548 C LYS A 38 -6.425 -15.186 6.583 1.00 32.32 C ATOM 549 O LYS A 38 -7.333 -15.771 6.000 1.00 62.22 O ATOM 550 CB LYS A 38 -4.984 -16.969 7.575 1.00 42.14 C ATOM 551 CG LYS A 38 -4.623 -16.689 9.034 1.00 51.54 C ATOM 552 CD LYS A 38 -5.474 -15.611 9.716 1.00 32.25 C ATOM 553 CE LYS A 38 -5.145 -15.544 11.206 1.00 30.33 C ATOM 554 NZ LYS A 38 -5.740 -16.667 11.960 1.00 24.25 N ATOM 0 H LYS A 38 -3.427 -14.927 7.684 1.00 15.12 H new ATOM 0 HA LYS A 38 -4.804 -16.171 5.594 1.00 63.42 H new ATOM 0 HB2 LYS A 38 -5.964 -17.446 7.562 1.00 42.14 H new ATOM 0 HB3 LYS A 38 -4.270 -17.697 7.190 1.00 42.14 H new ATOM 0 HG2 LYS A 38 -4.716 -17.616 9.600 1.00 51.54 H new ATOM 0 HG3 LYS A 38 -3.576 -16.389 9.083 1.00 51.54 H new ATOM 0 HD2 LYS A 38 -5.288 -14.643 9.251 1.00 32.25 H new ATOM 0 HD3 LYS A 38 -6.532 -15.832 9.579 1.00 32.25 H new ATOM 0 HE2 LYS A 38 -4.063 -15.553 11.338 1.00 30.33 H new ATOM 0 HE3 LYS A 38 -5.509 -14.601 11.615 1.00 30.33 H new ATOM 0 HZ1 LYS A 38 -5.622 -16.501 12.980 1.00 24.25 H new ATOM 0 HZ2 LYS A 38 -6.753 -16.738 11.736 1.00 24.25 H new ATOM 0 HZ3 LYS A 38 -5.264 -17.553 11.696 1.00 24.25 H new ATOM 564 N SER A 39 -6.609 -14.029 7.217 1.00 72.33 N ATOM 565 CA SER A 39 -7.903 -13.441 7.495 1.00 14.55 C ATOM 566 C SER A 39 -8.664 -13.142 6.204 1.00 1.52 C ATOM 567 O SER A 39 -9.889 -13.237 6.179 1.00 41.20 O ATOM 568 CB SER A 39 -7.622 -12.165 8.270 1.00 35.31 C ATOM 569 OG SER A 39 -8.761 -11.380 8.509 1.00 21.32 O ATOM 0 H SER A 39 -5.832 -13.463 7.559 1.00 72.33 H new ATOM 0 HA SER A 39 -8.532 -14.124 8.066 1.00 14.55 H new ATOM 0 HB2 SER A 39 -7.166 -12.425 9.225 1.00 35.31 H new ATOM 0 HB3 SER A 39 -6.893 -11.571 7.720 1.00 35.31 H new ATOM 0 HG SER A 39 -8.506 -10.578 9.012 1.00 21.32 H new ATOM 574 N SER A 40 -7.922 -12.805 5.148 1.00 75.14 N ATOM 575 CA SER A 40 -8.414 -12.339 3.867 1.00 74.44 C ATOM 576 C SER A 40 -7.740 -13.142 2.747 1.00 23.23 C ATOM 577 O SER A 40 -8.391 -13.528 1.776 1.00 35.34 O ATOM 578 CB SER A 40 -8.111 -10.834 3.854 1.00 20.11 C ATOM 579 OG SER A 40 -8.286 -10.185 2.610 1.00 3.24 O ATOM 0 H SER A 40 -6.904 -12.856 5.174 1.00 75.14 H new ATOM 0 HA SER A 40 -9.482 -12.487 3.708 1.00 74.44 H new ATOM 0 HB2 SER A 40 -8.750 -10.347 4.590 1.00 20.11 H new ATOM 0 HB3 SER A 40 -7.081 -10.686 4.178 1.00 20.11 H new ATOM 0 HG SER A 40 -8.071 -9.234 2.704 1.00 3.24 H new ATOM 584 N GLY A 41 -6.444 -13.456 2.889 1.00 71.34 N ATOM 585 CA GLY A 41 -5.659 -14.061 1.816 1.00 75.34 C ATOM 586 C GLY A 41 -5.090 -13.022 0.864 1.00 32.01 C ATOM 587 O GLY A 41 -4.739 -13.367 -0.271 1.00 52.30 O ATOM 0 H GLY A 41 -5.918 -13.297 3.748 1.00 71.34 H new ATOM 0 HA2 GLY A 41 -4.843 -14.641 2.248 1.00 75.34 H new ATOM 0 HA3 GLY A 41 -6.285 -14.758 1.259 1.00 75.34 H new ATOM 591 N GLN A 42 -4.984 -11.778 1.347 1.00 63.44 N ATOM 592 CA GLN A 42 -4.261 -10.663 0.754 1.00 55.30 C ATOM 593 C GLN A 42 -2.911 -11.183 0.293 1.00 0.45 C ATOM 594 O GLN A 42 -2.058 -11.482 1.124 1.00 61.04 O ATOM 595 CB GLN A 42 -4.025 -9.493 1.746 1.00 20.01 C ATOM 596 CG GLN A 42 -3.978 -9.953 3.208 1.00 61.24 C ATOM 597 CD GLN A 42 -3.767 -8.877 4.279 1.00 54.31 C ATOM 598 OE1 GLN A 42 -4.712 -8.422 4.911 1.00 24.05 O ATOM 599 NE2 GLN A 42 -2.541 -8.554 4.632 1.00 24.04 N ATOM 0 H GLN A 42 -5.435 -11.513 2.223 1.00 63.44 H new ATOM 0 HA GLN A 42 -4.862 -10.271 -0.067 1.00 55.30 H new ATOM 0 HB2 GLN A 42 -3.088 -8.995 1.497 1.00 20.01 H new ATOM 0 HB3 GLN A 42 -4.819 -8.756 1.627 1.00 20.01 H new ATOM 0 HG2 GLN A 42 -4.912 -10.470 3.429 1.00 61.24 H new ATOM 0 HG3 GLN A 42 -3.177 -10.686 3.305 1.00 61.24 H new ATOM 0 HE21 GLN A 42 -1.746 -8.927 4.113 1.00 24.04 H new ATOM 0 HE22 GLN A 42 -2.386 -7.931 5.424 1.00 24.04 H new ATOM 606 N SER A 43 -2.765 -11.341 -1.016 1.00 43.14 N ATOM 607 CA SER A 43 -1.560 -11.704 -1.743 1.00 23.24 C ATOM 608 C SER A 43 -1.805 -11.714 -3.255 1.00 14.23 C ATOM 609 O SER A 43 -2.960 -11.825 -3.677 1.00 12.53 O ATOM 610 CB SER A 43 -1.064 -13.052 -1.215 1.00 0.45 C ATOM 611 OG SER A 43 -2.042 -14.076 -1.286 1.00 11.41 O ATOM 0 H SER A 43 -3.554 -11.207 -1.648 1.00 43.14 H new ATOM 0 HA SER A 43 -0.782 -10.958 -1.577 1.00 23.24 H new ATOM 0 HB2 SER A 43 -0.186 -13.357 -1.785 1.00 0.45 H new ATOM 0 HB3 SER A 43 -0.746 -12.934 -0.179 1.00 0.45 H new ATOM 0 HG SER A 43 -2.845 -13.795 -0.800 1.00 11.41 H new ATOM 616 N ARG A 44 -0.728 -11.550 -4.046 1.00 43.52 N ATOM 617 CA ARG A 44 -0.610 -11.717 -5.504 1.00 22.22 C ATOM 618 C ARG A 44 0.759 -11.307 -6.083 1.00 21.22 C ATOM 619 O ARG A 44 0.896 -11.328 -7.302 1.00 41.22 O ATOM 620 CB ARG A 44 -1.742 -10.953 -6.219 1.00 63.10 C ATOM 621 CG ARG A 44 -2.816 -11.895 -6.791 1.00 40.40 C ATOM 622 CD ARG A 44 -4.181 -11.204 -6.720 1.00 44.43 C ATOM 623 NE ARG A 44 -5.166 -11.734 -7.684 1.00 1.12 N ATOM 624 CZ ARG A 44 -6.494 -11.590 -7.581 1.00 52.12 C ATOM 625 NH1 ARG A 44 -7.014 -10.892 -6.578 1.00 51.12 N ATOM 626 NH2 ARG A 44 -7.314 -12.151 -8.462 1.00 75.21 N ATOM 0 H ARG A 44 0.165 -11.271 -3.640 1.00 43.52 H new ATOM 0 HA ARG A 44 -0.700 -12.787 -5.689 1.00 22.22 H new ATOM 0 HB2 ARG A 44 -2.207 -10.259 -5.519 1.00 63.10 H new ATOM 0 HB3 ARG A 44 -1.319 -10.355 -7.027 1.00 63.10 H new ATOM 0 HG2 ARG A 44 -2.579 -12.153 -7.823 1.00 40.40 H new ATOM 0 HG3 ARG A 44 -2.837 -12.827 -6.227 1.00 40.40 H new ATOM 0 HD2 ARG A 44 -4.580 -11.310 -5.711 1.00 44.43 H new ATOM 0 HD3 ARG A 44 -4.048 -10.137 -6.900 1.00 44.43 H new ATOM 0 HE ARG A 44 -4.808 -12.248 -8.489 1.00 1.12 H new ATOM 0 HH11 ARG A 44 -6.402 -10.464 -5.883 1.00 51.12 H new ATOM 0 HH12 ARG A 44 -8.025 -10.784 -6.502 1.00 51.12 H new ATOM 0 HH21 ARG A 44 -6.935 -12.702 -9.232 1.00 75.21 H new ATOM 0 HH22 ARG A 44 -8.323 -12.031 -8.368 1.00 75.21 H new ATOM 637 N GLY A 45 1.744 -10.891 -5.276 1.00 60.44 N ATOM 638 CA GLY A 45 2.946 -10.206 -5.773 1.00 4.43 C ATOM 639 C GLY A 45 2.782 -8.686 -5.726 1.00 23.43 C ATOM 640 O GLY A 45 3.682 -7.958 -6.153 1.00 23.35 O ATOM 0 H GLY A 45 1.731 -11.019 -4.264 1.00 60.44 H new ATOM 0 HA2 GLY A 45 3.808 -10.499 -5.173 1.00 4.43 H new ATOM 0 HA3 GLY A 45 3.148 -10.520 -6.797 1.00 4.43 H new ATOM 644 N PHE A 46 1.655 -8.191 -5.205 1.00 60.33 N ATOM 645 CA PHE A 46 1.449 -6.803 -4.843 1.00 63.01 C ATOM 646 C PHE A 46 0.813 -6.743 -3.451 1.00 60.03 C ATOM 647 O PHE A 46 0.330 -7.764 -2.945 1.00 2.31 O ATOM 648 CB PHE A 46 0.657 -6.054 -5.938 1.00 1.13 C ATOM 649 CG PHE A 46 -0.583 -6.701 -6.540 1.00 23.22 C ATOM 650 CD1 PHE A 46 -1.580 -7.293 -5.739 1.00 55.10 C ATOM 651 CD2 PHE A 46 -0.779 -6.633 -7.933 1.00 44.11 C ATOM 652 CE1 PHE A 46 -2.747 -7.812 -6.323 1.00 22.13 C ATOM 653 CE2 PHE A 46 -1.910 -7.216 -8.521 1.00 55.10 C ATOM 654 CZ PHE A 46 -2.897 -7.806 -7.720 1.00 20.12 C ATOM 0 H PHE A 46 0.838 -8.774 -5.021 1.00 60.33 H new ATOM 0 HA PHE A 46 2.402 -6.277 -4.783 1.00 63.01 H new ATOM 0 HB2 PHE A 46 0.355 -5.092 -5.523 1.00 1.13 H new ATOM 0 HB3 PHE A 46 1.347 -5.846 -6.756 1.00 1.13 H new ATOM 0 HD1 PHE A 46 -1.446 -7.348 -4.669 1.00 55.10 H new ATOM 0 HD2 PHE A 46 -0.053 -6.128 -8.553 1.00 44.11 H new ATOM 0 HE1 PHE A 46 -3.530 -8.216 -5.698 1.00 22.13 H new ATOM 0 HE2 PHE A 46 -2.021 -7.210 -9.595 1.00 55.10 H new ATOM 0 HZ PHE A 46 -3.769 -8.254 -8.174 1.00 20.12 H new ATOM 663 N ALA A 47 0.841 -5.557 -2.842 1.00 22.02 N ATOM 664 CA ALA A 47 0.241 -5.211 -1.554 1.00 60.01 C ATOM 665 C ALA A 47 -0.468 -3.866 -1.685 1.00 13.41 C ATOM 666 O ALA A 47 -0.301 -3.190 -2.706 1.00 24.02 O ATOM 667 CB ALA A 47 1.337 -5.125 -0.489 1.00 22.15 C ATOM 0 H ALA A 47 1.316 -4.759 -3.265 1.00 22.02 H new ATOM 0 HA ALA A 47 -0.479 -5.974 -1.259 1.00 60.01 H new ATOM 0 HB1 ALA A 47 0.891 -4.867 0.472 1.00 22.15 H new ATOM 0 HB2 ALA A 47 1.842 -6.088 -0.408 1.00 22.15 H new ATOM 0 HB3 ALA A 47 2.059 -4.359 -0.771 1.00 22.15 H new ATOM 673 N PHE A 48 -1.241 -3.472 -0.677 1.00 0.34 N ATOM 674 CA PHE A 48 -1.824 -2.138 -0.573 1.00 20.23 C ATOM 675 C PHE A 48 -1.379 -1.561 0.762 1.00 24.01 C ATOM 676 O PHE A 48 -1.528 -2.278 1.756 1.00 71.34 O ATOM 677 CB PHE A 48 -3.357 -2.186 -0.650 1.00 24.23 C ATOM 678 CG PHE A 48 -3.934 -2.683 -1.967 1.00 33.42 C ATOM 679 CD1 PHE A 48 -4.175 -4.059 -2.151 1.00 3.43 C ATOM 680 CD2 PHE A 48 -4.226 -1.786 -3.015 1.00 42.14 C ATOM 681 CE1 PHE A 48 -4.673 -4.533 -3.376 1.00 75.41 C ATOM 682 CE2 PHE A 48 -4.747 -2.264 -4.234 1.00 42.52 C ATOM 683 CZ PHE A 48 -4.957 -3.638 -4.421 1.00 4.55 C ATOM 0 H PHE A 48 -1.484 -4.081 0.104 1.00 0.34 H new ATOM 0 HA PHE A 48 -1.488 -1.517 -1.403 1.00 20.23 H new ATOM 0 HB2 PHE A 48 -3.723 -2.828 0.152 1.00 24.23 H new ATOM 0 HB3 PHE A 48 -3.744 -1.185 -0.459 1.00 24.23 H new ATOM 0 HD1 PHE A 48 -3.976 -4.752 -1.347 1.00 3.43 H new ATOM 0 HD2 PHE A 48 -4.050 -0.729 -2.883 1.00 42.14 H new ATOM 0 HE1 PHE A 48 -4.838 -5.591 -3.515 1.00 75.41 H new ATOM 0 HE2 PHE A 48 -4.985 -1.570 -5.027 1.00 42.52 H new ATOM 0 HZ PHE A 48 -5.335 -4.006 -5.363 1.00 4.55 H new ATOM 692 N VAL A 49 -0.873 -0.319 0.828 1.00 15.45 N ATOM 693 CA VAL A 49 -0.826 0.356 2.127 1.00 34.21 C ATOM 694 C VAL A 49 -1.967 1.374 2.094 1.00 11.21 C ATOM 695 O VAL A 49 -2.325 1.873 1.017 1.00 11.34 O ATOM 696 CB VAL A 49 0.591 0.920 2.368 1.00 22.24 C ATOM 697 CG1 VAL A 49 0.641 1.946 3.504 1.00 74.33 C ATOM 698 CG2 VAL A 49 1.640 -0.173 2.613 1.00 52.44 C ATOM 0 H VAL A 49 -0.508 0.214 0.038 1.00 15.45 H new ATOM 0 HA VAL A 49 -0.985 -0.295 2.986 1.00 34.21 H new ATOM 0 HB VAL A 49 0.843 1.429 1.437 1.00 22.24 H new ATOM 0 HG11 VAL A 49 1.663 2.305 3.625 1.00 74.33 H new ATOM 0 HG12 VAL A 49 -0.013 2.785 3.266 1.00 74.33 H new ATOM 0 HG13 VAL A 49 0.309 1.479 4.431 1.00 74.33 H new ATOM 0 HG21 VAL A 49 2.614 0.288 2.775 1.00 52.44 H new ATOM 0 HG22 VAL A 49 1.362 -0.754 3.493 1.00 52.44 H new ATOM 0 HG23 VAL A 49 1.690 -0.831 1.745 1.00 52.44 H new ATOM 708 N GLU A 50 -2.537 1.684 3.258 1.00 75.32 N ATOM 709 CA GLU A 50 -3.462 2.784 3.411 1.00 73.14 C ATOM 710 C GLU A 50 -2.969 3.757 4.465 1.00 42.52 C ATOM 711 O GLU A 50 -2.260 3.398 5.410 1.00 60.33 O ATOM 712 CB GLU A 50 -4.866 2.338 3.811 1.00 34.21 C ATOM 713 CG GLU A 50 -5.645 1.604 2.721 1.00 43.42 C ATOM 714 CD GLU A 50 -7.160 1.679 2.955 1.00 4.42 C ATOM 715 OE1 GLU A 50 -7.597 2.017 4.082 1.00 42.50 O ATOM 716 OE2 GLU A 50 -7.911 1.359 2.004 1.00 0.51 O ATOM 0 H GLU A 50 -2.363 1.170 4.121 1.00 75.32 H new ATOM 0 HA GLU A 50 -3.514 3.258 2.431 1.00 73.14 H new ATOM 0 HB2 GLU A 50 -4.790 1.688 4.683 1.00 34.21 H new ATOM 0 HB3 GLU A 50 -5.436 3.215 4.116 1.00 34.21 H new ATOM 0 HG2 GLU A 50 -5.405 2.036 1.749 1.00 43.42 H new ATOM 0 HG3 GLU A 50 -5.333 0.560 2.691 1.00 43.42 H new ATOM 721 N PHE A 51 -3.431 5.001 4.333 1.00 22.03 N ATOM 722 CA PHE A 51 -3.055 6.071 5.243 1.00 54.44 C ATOM 723 C PHE A 51 -4.293 6.785 5.713 1.00 14.22 C ATOM 724 O PHE A 51 -4.773 7.647 4.992 1.00 41.21 O ATOM 725 CB PHE A 51 -2.122 7.055 4.546 1.00 41.52 C ATOM 726 CG PHE A 51 -0.840 6.399 4.144 1.00 24.35 C ATOM 727 CD1 PHE A 51 0.214 6.327 5.066 1.00 54.55 C ATOM 728 CD2 PHE A 51 -0.730 5.822 2.873 1.00 3.52 C ATOM 729 CE1 PHE A 51 1.425 5.719 4.701 1.00 13.20 C ATOM 730 CE2 PHE A 51 0.506 5.275 2.489 1.00 51.41 C ATOM 731 CZ PHE A 51 1.574 5.210 3.403 1.00 44.43 C ATOM 0 H PHE A 51 -4.073 5.289 3.595 1.00 22.03 H new ATOM 0 HA PHE A 51 -2.533 5.644 6.099 1.00 54.44 H new ATOM 0 HB2 PHE A 51 -2.615 7.464 3.664 1.00 41.52 H new ATOM 0 HB3 PHE A 51 -1.911 7.892 5.211 1.00 41.52 H new ATOM 0 HD1 PHE A 51 0.094 6.739 6.057 1.00 54.55 H new ATOM 0 HD2 PHE A 51 -1.576 5.798 2.203 1.00 3.52 H new ATOM 0 HE1 PHE A 51 2.234 5.644 5.413 1.00 13.20 H new ATOM 0 HE2 PHE A 51 0.637 4.901 1.484 1.00 51.41 H new ATOM 0 HZ PHE A 51 2.512 4.766 3.104 1.00 44.43 H new ATOM 740 N SER A 52 -4.776 6.485 6.918 1.00 72.32 N ATOM 741 CA SER A 52 -5.937 7.148 7.510 1.00 22.02 C ATOM 742 C SER A 52 -5.852 8.682 7.389 1.00 54.24 C ATOM 743 O SER A 52 -6.873 9.362 7.308 1.00 51.20 O ATOM 744 CB SER A 52 -6.043 6.705 8.973 1.00 74.42 C ATOM 745 OG SER A 52 -7.072 7.377 9.658 1.00 0.53 O ATOM 0 H SER A 52 -4.368 5.767 7.517 1.00 72.32 H new ATOM 0 HA SER A 52 -6.836 6.857 6.967 1.00 22.02 H new ATOM 0 HB2 SER A 52 -6.223 5.631 9.014 1.00 74.42 H new ATOM 0 HB3 SER A 52 -5.094 6.888 9.476 1.00 74.42 H new ATOM 0 HG SER A 52 -7.106 7.064 10.586 1.00 0.53 H new ATOM 750 N HIS A 53 -4.637 9.239 7.353 1.00 22.24 N ATOM 751 CA HIS A 53 -4.381 10.667 7.349 1.00 4.15 C ATOM 752 C HIS A 53 -4.756 11.322 6.014 1.00 42.14 C ATOM 753 O HIS A 53 -4.579 12.528 5.891 1.00 24.01 O ATOM 754 CB HIS A 53 -2.886 10.915 7.601 1.00 41.32 C ATOM 755 CG HIS A 53 -2.295 10.357 8.881 1.00 44.31 C ATOM 756 ND1 HIS A 53 -1.076 10.727 9.399 1.00 14.33 N ATOM 757 CD2 HIS A 53 -2.820 9.417 9.728 1.00 32.02 C ATOM 758 CE1 HIS A 53 -0.862 10.020 10.521 1.00 11.44 C ATOM 759 NE2 HIS A 53 -1.902 9.200 10.757 1.00 34.21 N ATOM 0 H HIS A 53 -3.783 8.682 7.325 1.00 22.24 H new ATOM 0 HA HIS A 53 -4.996 11.108 8.133 1.00 4.15 H new ATOM 0 HB2 HIS A 53 -2.329 10.498 6.762 1.00 41.32 H new ATOM 0 HB3 HIS A 53 -2.716 11.992 7.592 1.00 41.32 H new ATOM 0 HD1 HIS A 53 -0.443 11.420 9.000 1.00 14.33 H new ATOM 0 HD2 HIS A 53 -3.777 8.929 9.619 1.00 32.02 H new ATOM 0 HE1 HIS A 53 0.017 10.099 11.143 1.00 11.44 H new ATOM 766 N LEU A 54 -5.160 10.560 4.986 1.00 51.13 N ATOM 767 CA LEU A 54 -5.436 10.965 3.600 1.00 3.32 C ATOM 768 C LEU A 54 -4.218 11.520 2.834 1.00 71.32 C ATOM 769 O LEU A 54 -4.160 11.384 1.608 1.00 0.34 O ATOM 770 CB LEU A 54 -6.640 11.937 3.538 1.00 1.24 C ATOM 771 CG LEU A 54 -7.761 11.483 2.579 1.00 61.33 C ATOM 772 CD1 LEU A 54 -8.874 10.750 3.337 1.00 60.33 C ATOM 773 CD2 LEU A 54 -8.399 12.673 1.856 1.00 72.12 C ATOM 0 H LEU A 54 -5.315 9.560 5.115 1.00 51.13 H new ATOM 0 HA LEU A 54 -5.694 10.045 3.075 1.00 3.32 H new ATOM 0 HB2 LEU A 54 -7.055 12.050 4.539 1.00 1.24 H new ATOM 0 HB3 LEU A 54 -6.285 12.920 3.227 1.00 1.24 H new ATOM 0 HG LEU A 54 -7.293 10.816 1.855 1.00 61.33 H new ATOM 0 HD11 LEU A 54 -9.650 10.442 2.636 1.00 60.33 H new ATOM 0 HD12 LEU A 54 -8.460 9.870 3.830 1.00 60.33 H new ATOM 0 HD13 LEU A 54 -9.304 11.416 4.085 1.00 60.33 H new ATOM 0 HD21 LEU A 54 -9.184 12.316 1.189 1.00 72.12 H new ATOM 0 HD22 LEU A 54 -8.829 13.356 2.589 1.00 72.12 H new ATOM 0 HD23 LEU A 54 -7.639 13.195 1.275 1.00 72.12 H new ATOM 784 N GLN A 55 -3.237 12.113 3.523 1.00 31.15 N ATOM 785 CA GLN A 55 -2.189 12.977 2.976 1.00 20.31 C ATOM 786 C GLN A 55 -0.776 12.457 3.268 1.00 43.11 C ATOM 787 O GLN A 55 0.175 12.781 2.554 1.00 52.21 O ATOM 788 CB GLN A 55 -2.395 14.387 3.556 1.00 53.22 C ATOM 789 CG GLN A 55 -1.902 14.559 5.006 1.00 34.42 C ATOM 790 CD GLN A 55 -0.490 15.141 5.104 1.00 42.51 C ATOM 791 OE1 GLN A 55 -0.215 16.219 4.580 1.00 20.22 O ATOM 792 NE2 GLN A 55 0.431 14.466 5.773 1.00 4.51 N ATOM 0 H GLN A 55 -3.150 11.996 4.532 1.00 31.15 H new ATOM 0 HA GLN A 55 -2.272 12.992 1.889 1.00 20.31 H new ATOM 0 HB2 GLN A 55 -1.877 15.106 2.922 1.00 53.22 H new ATOM 0 HB3 GLN A 55 -3.456 14.632 3.515 1.00 53.22 H new ATOM 0 HG2 GLN A 55 -2.593 15.210 5.542 1.00 34.42 H new ATOM 0 HG3 GLN A 55 -1.923 13.591 5.506 1.00 34.42 H new ATOM 0 HE21 GLN A 55 0.195 13.573 6.205 1.00 4.51 H new ATOM 0 HE22 GLN A 55 1.377 14.839 5.857 1.00 4.51 H new ATOM 799 N ASP A 56 -0.621 11.616 4.297 1.00 20.21 N ATOM 800 CA ASP A 56 0.652 10.945 4.587 1.00 31.24 C ATOM 801 C ASP A 56 0.931 9.892 3.513 1.00 31.01 C ATOM 802 O ASP A 56 2.066 9.435 3.389 1.00 35.04 O ATOM 803 CB ASP A 56 0.686 10.292 5.984 1.00 63.04 C ATOM 804 CG ASP A 56 0.897 11.300 7.122 1.00 2.14 C ATOM 805 OD1 ASP A 56 0.044 12.201 7.255 1.00 21.01 O ATOM 806 OD2 ASP A 56 1.843 11.176 7.929 1.00 54.14 O ATOM 0 H ASP A 56 -1.370 11.382 4.949 1.00 20.21 H new ATOM 0 HA ASP A 56 1.427 11.711 4.580 1.00 31.24 H new ATOM 0 HB2 ASP A 56 -0.249 9.758 6.150 1.00 63.04 H new ATOM 0 HB3 ASP A 56 1.485 9.551 6.012 1.00 63.04 H new ATOM 810 N ALA A 57 -0.083 9.577 2.691 1.00 23.01 N ATOM 811 CA ALA A 57 0.022 8.721 1.527 1.00 33.40 C ATOM 812 C ALA A 57 1.147 9.264 0.648 1.00 2.32 C ATOM 813 O ALA A 57 2.108 8.565 0.325 1.00 11.50 O ATOM 814 CB ALA A 57 -1.323 8.623 0.809 1.00 61.44 C ATOM 0 H ALA A 57 -1.028 9.931 2.836 1.00 23.01 H new ATOM 0 HA ALA A 57 0.273 7.698 1.808 1.00 33.40 H new ATOM 0 HB1 ALA A 57 -1.224 7.976 -0.063 1.00 61.44 H new ATOM 0 HB2 ALA A 57 -2.068 8.207 1.487 1.00 61.44 H new ATOM 0 HB3 ALA A 57 -1.638 9.616 0.489 1.00 61.44 H new ATOM 820 N THR A 58 1.070 10.560 0.347 1.00 72.21 N ATOM 821 CA THR A 58 2.058 11.248 -0.458 1.00 74.11 C ATOM 822 C THR A 58 3.380 11.351 0.278 1.00 15.21 C ATOM 823 O THR A 58 4.441 11.154 -0.319 1.00 51.25 O ATOM 824 CB THR A 58 1.583 12.669 -0.793 1.00 62.21 C ATOM 825 OG1 THR A 58 0.197 12.862 -0.545 1.00 1.41 O ATOM 826 CG2 THR A 58 1.855 12.984 -2.242 1.00 60.45 C ATOM 0 H THR A 58 0.309 11.161 0.662 1.00 72.21 H new ATOM 0 HA THR A 58 2.191 10.671 -1.373 1.00 74.11 H new ATOM 0 HB THR A 58 2.142 13.338 -0.138 1.00 62.21 H new ATOM 0 HG1 THR A 58 -0.051 13.782 -0.773 1.00 1.41 H new ATOM 0 HG21 THR A 58 1.513 13.995 -2.465 1.00 60.45 H new ATOM 0 HG22 THR A 58 2.925 12.912 -2.435 1.00 60.45 H new ATOM 0 HG23 THR A 58 1.324 12.273 -2.875 1.00 60.45 H new ATOM 834 N ARG A 59 3.312 11.664 1.579 1.00 20.12 N ATOM 835 CA ARG A 59 4.510 11.875 2.374 1.00 12.20 C ATOM 836 C ARG A 59 5.373 10.621 2.375 1.00 13.21 C ATOM 837 O ARG A 59 6.568 10.712 2.623 1.00 33.31 O ATOM 838 CB ARG A 59 4.127 12.291 3.800 1.00 12.22 C ATOM 839 CG ARG A 59 5.314 12.921 4.545 1.00 64.13 C ATOM 840 CD ARG A 59 4.878 13.430 5.925 1.00 44.12 C ATOM 841 NE ARG A 59 4.947 14.899 6.048 1.00 14.13 N ATOM 842 CZ ARG A 59 6.030 15.668 5.873 1.00 53.45 C ATOM 843 NH1 ARG A 59 7.241 15.129 5.777 1.00 3.52 N ATOM 844 NH2 ARG A 59 5.871 16.979 5.769 1.00 62.03 N ATOM 0 H ARG A 59 2.439 11.774 2.094 1.00 20.12 H new ATOM 0 HA ARG A 59 5.096 12.681 1.932 1.00 12.20 H new ATOM 0 HB2 ARG A 59 3.302 13.002 3.763 1.00 12.22 H new ATOM 0 HB3 ARG A 59 3.772 11.420 4.351 1.00 12.22 H new ATOM 0 HG2 ARG A 59 6.111 12.186 4.658 1.00 64.13 H new ATOM 0 HG3 ARG A 59 5.721 13.745 3.960 1.00 64.13 H new ATOM 0 HD2 ARG A 59 3.857 13.102 6.121 1.00 44.12 H new ATOM 0 HD3 ARG A 59 5.510 12.977 6.689 1.00 44.12 H new ATOM 0 HE ARG A 59 4.080 15.379 6.291 1.00 14.13 H new ATOM 0 HH11 ARG A 59 7.355 14.117 5.836 1.00 3.52 H new ATOM 0 HH12 ARG A 59 8.056 15.727 5.644 1.00 3.52 H new ATOM 0 HH21 ARG A 59 4.937 17.385 5.823 1.00 62.03 H new ATOM 0 HH22 ARG A 59 6.683 17.582 5.635 1.00 62.03 H new ATOM 855 N TRP A 60 4.786 9.442 2.180 1.00 41.54 N ATOM 856 CA TRP A 60 5.527 8.205 2.059 1.00 0.54 C ATOM 857 C TRP A 60 6.103 8.041 0.651 1.00 15.43 C ATOM 858 O TRP A 60 7.270 7.698 0.481 1.00 44.54 O ATOM 859 CB TRP A 60 4.578 7.058 2.408 1.00 3.20 C ATOM 860 CG TRP A 60 5.262 5.740 2.510 1.00 71.24 C ATOM 861 CD1 TRP A 60 6.354 5.495 3.259 1.00 12.44 C ATOM 862 CD2 TRP A 60 4.933 4.480 1.868 1.00 54.24 C ATOM 863 NE1 TRP A 60 6.732 4.178 3.122 1.00 21.41 N ATOM 864 CE2 TRP A 60 5.831 3.486 2.350 1.00 0.22 C ATOM 865 CE3 TRP A 60 3.931 4.073 0.968 1.00 43.25 C ATOM 866 CZ2 TRP A 60 5.687 2.133 2.039 1.00 1.54 C ATOM 867 CZ3 TRP A 60 3.792 2.723 0.610 1.00 24.12 C ATOM 868 CH2 TRP A 60 4.656 1.752 1.163 1.00 20.32 C ATOM 0 H TRP A 60 3.776 9.326 2.102 1.00 41.54 H new ATOM 0 HA TRP A 60 6.376 8.208 2.742 1.00 0.54 H new ATOM 0 HB2 TRP A 60 4.085 7.278 3.355 1.00 3.20 H new ATOM 0 HB3 TRP A 60 3.798 6.997 1.649 1.00 3.20 H new ATOM 0 HD1 TRP A 60 6.859 6.224 3.876 1.00 12.44 H new ATOM 0 HE1 TRP A 60 7.569 3.771 3.538 1.00 21.41 H new ATOM 0 HE3 TRP A 60 3.261 4.808 0.548 1.00 43.25 H new ATOM 0 HZ2 TRP A 60 6.353 1.395 2.462 1.00 1.54 H new ATOM 0 HZ3 TRP A 60 3.024 2.426 -0.089 1.00 24.12 H new ATOM 0 HH2 TRP A 60 4.524 0.710 0.911 1.00 20.32 H new ATOM 878 N MET A 61 5.279 8.261 -0.371 1.00 54.41 N ATOM 879 CA MET A 61 5.598 7.962 -1.759 1.00 3.10 C ATOM 880 C MET A 61 6.737 8.820 -2.284 1.00 1.14 C ATOM 881 O MET A 61 7.692 8.303 -2.868 1.00 12.34 O ATOM 882 CB MET A 61 4.342 8.188 -2.596 1.00 22.42 C ATOM 883 CG MET A 61 3.273 7.155 -2.217 1.00 13.34 C ATOM 884 SD MET A 61 2.807 5.859 -3.400 1.00 32.23 S ATOM 885 CE MET A 61 2.670 6.733 -4.979 1.00 73.11 C ATOM 0 H MET A 61 4.349 8.662 -0.250 1.00 54.41 H new ATOM 0 HA MET A 61 5.928 6.925 -1.827 1.00 3.10 H new ATOM 0 HB2 MET A 61 3.961 9.196 -2.432 1.00 22.42 H new ATOM 0 HB3 MET A 61 4.581 8.106 -3.656 1.00 22.42 H new ATOM 0 HG2 MET A 61 3.610 6.658 -1.307 1.00 13.34 H new ATOM 0 HG3 MET A 61 2.366 7.704 -1.963 1.00 13.34 H new ATOM 0 HE1 MET A 61 1.656 6.629 -5.366 1.00 73.11 H new ATOM 0 HE2 MET A 61 2.895 7.789 -4.831 1.00 73.11 H new ATOM 0 HE3 MET A 61 3.376 6.308 -5.692 1.00 73.11 H new ATOM 893 N GLU A 62 6.645 10.132 -2.089 1.00 11.51 N ATOM 894 CA GLU A 62 7.661 11.060 -2.574 1.00 23.34 C ATOM 895 C GLU A 62 8.952 10.901 -1.770 1.00 23.10 C ATOM 896 O GLU A 62 10.058 11.056 -2.292 1.00 20.21 O ATOM 897 CB GLU A 62 7.127 12.493 -2.505 1.00 41.25 C ATOM 898 CG GLU A 62 5.846 12.650 -3.341 1.00 14.50 C ATOM 899 CD GLU A 62 5.506 14.107 -3.667 1.00 34.42 C ATOM 900 OE1 GLU A 62 5.849 15.001 -2.859 1.00 40.11 O ATOM 901 OE2 GLU A 62 4.834 14.373 -4.688 1.00 75.23 O ATOM 0 H GLU A 62 5.872 10.578 -1.595 1.00 11.51 H new ATOM 0 HA GLU A 62 7.893 10.834 -3.615 1.00 23.34 H new ATOM 0 HB2 GLU A 62 6.922 12.758 -1.468 1.00 41.25 H new ATOM 0 HB3 GLU A 62 7.887 13.185 -2.867 1.00 41.25 H new ATOM 0 HG2 GLU A 62 5.958 12.094 -4.272 1.00 14.50 H new ATOM 0 HG3 GLU A 62 5.012 12.202 -2.801 1.00 14.50 H new ATOM 906 N ALA A 63 8.815 10.465 -0.519 1.00 1.23 N ATOM 907 CA ALA A 63 9.949 10.151 0.342 1.00 33.10 C ATOM 908 C ALA A 63 10.643 8.846 -0.074 1.00 54.44 C ATOM 909 O ALA A 63 11.655 8.479 0.526 1.00 11.13 O ATOM 910 CB ALA A 63 9.517 10.095 1.809 1.00 62.34 C ATOM 0 H ALA A 63 7.909 10.320 -0.074 1.00 1.23 H new ATOM 0 HA ALA A 63 10.677 10.954 0.226 1.00 33.10 H new ATOM 0 HB1 ALA A 63 10.379 9.859 2.433 1.00 62.34 H new ATOM 0 HB2 ALA A 63 9.108 11.061 2.105 1.00 62.34 H new ATOM 0 HB3 ALA A 63 8.756 9.325 1.935 1.00 62.34 H new ATOM 916 N ASN A 64 10.137 8.171 -1.108 1.00 41.25 N ATOM 917 CA ASN A 64 10.749 7.011 -1.739 1.00 51.33 C ATOM 918 C ASN A 64 10.963 7.227 -3.231 1.00 44.53 C ATOM 919 O ASN A 64 11.493 6.346 -3.902 1.00 3.40 O ATOM 920 CB ASN A 64 9.898 5.774 -1.454 1.00 52.53 C ATOM 921 CG ASN A 64 10.117 5.368 -0.015 1.00 0.54 C ATOM 922 OD1 ASN A 64 11.223 4.985 0.357 1.00 54.31 O ATOM 923 ND2 ASN A 64 9.108 5.506 0.827 1.00 62.01 N ATOM 0 H ASN A 64 9.252 8.433 -1.543 1.00 41.25 H new ATOM 0 HA ASN A 64 11.740 6.858 -1.313 1.00 51.33 H new ATOM 0 HB2 ASN A 64 8.844 5.989 -1.632 1.00 52.53 H new ATOM 0 HB3 ASN A 64 10.175 4.960 -2.124 1.00 52.53 H new ATOM 0 HD21 ASN A 64 9.236 5.292 1.816 1.00 62.01 H new ATOM 0 HD22 ASN A 64 8.201 5.826 0.488 1.00 62.01 H new ATOM 929 N GLN A 65 10.596 8.394 -3.775 1.00 35.11 N ATOM 930 CA GLN A 65 10.782 8.722 -5.188 1.00 64.44 C ATOM 931 C GLN A 65 9.969 7.741 -6.052 1.00 11.23 C ATOM 932 O GLN A 65 10.345 7.454 -7.186 1.00 41.51 O ATOM 933 CB GLN A 65 12.288 8.768 -5.565 1.00 40.25 C ATOM 934 CG GLN A 65 13.189 9.601 -4.627 1.00 62.14 C ATOM 935 CD GLN A 65 14.674 9.260 -4.794 1.00 0.34 C ATOM 936 OE1 GLN A 65 15.175 9.077 -5.898 1.00 1.30 O ATOM 937 NE2 GLN A 65 15.417 9.159 -3.700 1.00 11.12 N ATOM 0 H GLN A 65 10.157 9.142 -3.238 1.00 35.11 H new ATOM 0 HA GLN A 65 10.403 9.725 -5.384 1.00 64.44 H new ATOM 0 HB2 GLN A 65 12.668 7.747 -5.591 1.00 40.25 H new ATOM 0 HB3 GLN A 65 12.379 9.168 -6.575 1.00 40.25 H new ATOM 0 HG2 GLN A 65 13.037 10.661 -4.828 1.00 62.14 H new ATOM 0 HG3 GLN A 65 12.892 9.427 -3.593 1.00 62.14 H new ATOM 0 HE21 GLN A 65 14.998 9.312 -2.783 1.00 11.12 H new ATOM 0 HE22 GLN A 65 16.408 8.929 -3.776 1.00 11.12 H new ATOM 944 N HIS A 66 8.863 7.218 -5.500 1.00 54.41 N ATOM 945 CA HIS A 66 7.982 6.220 -6.115 1.00 73.04 C ATOM 946 C HIS A 66 8.623 4.838 -6.359 1.00 22.22 C ATOM 947 O HIS A 66 8.069 4.041 -7.127 1.00 32.33 O ATOM 948 CB HIS A 66 7.321 6.740 -7.402 1.00 75.21 C ATOM 949 CG HIS A 66 6.696 8.109 -7.353 1.00 11.42 C ATOM 950 ND1 HIS A 66 6.441 8.868 -8.470 1.00 63.43 N ATOM 951 CD2 HIS A 66 6.300 8.825 -6.254 1.00 34.24 C ATOM 952 CE1 HIS A 66 5.921 10.036 -8.065 1.00 54.31 C ATOM 953 NE2 HIS A 66 5.780 10.036 -6.723 1.00 55.52 N ATOM 0 H HIS A 66 8.546 7.494 -4.570 1.00 54.41 H new ATOM 0 HA HIS A 66 7.213 6.059 -5.360 1.00 73.04 H new ATOM 0 HB2 HIS A 66 8.073 6.741 -8.191 1.00 75.21 H new ATOM 0 HB3 HIS A 66 6.550 6.028 -7.697 1.00 75.21 H new ATOM 0 HD2 HIS A 66 6.375 8.514 -5.223 1.00 34.24 H new ATOM 0 HE1 HIS A 66 5.655 10.855 -8.716 1.00 54.31 H new ATOM 0 HE2 HIS A 66 5.371 10.779 -6.157 1.00 55.52 H new ATOM 960 N SER A 67 9.744 4.508 -5.714 1.00 22.42 N ATOM 961 CA SER A 67 10.297 3.161 -5.753 1.00 35.41 C ATOM 962 C SER A 67 10.819 2.793 -4.365 1.00 1.53 C ATOM 963 O SER A 67 11.491 3.587 -3.713 1.00 72.14 O ATOM 964 CB SER A 67 11.360 3.020 -6.862 1.00 51.34 C ATOM 965 OG SER A 67 11.926 4.247 -7.300 1.00 41.54 O ATOM 0 H SER A 67 10.288 5.165 -5.155 1.00 22.42 H new ATOM 0 HA SER A 67 9.514 2.449 -6.013 1.00 35.41 H new ATOM 0 HB2 SER A 67 12.160 2.375 -6.500 1.00 51.34 H new ATOM 0 HB3 SER A 67 10.909 2.518 -7.718 1.00 51.34 H new ATOM 0 HG SER A 67 12.589 4.070 -8.000 1.00 41.54 H new ATOM 970 N LEU A 68 10.514 1.591 -3.893 1.00 21.34 N ATOM 971 CA LEU A 68 11.039 1.034 -2.643 1.00 32.14 C ATOM 972 C LEU A 68 11.996 -0.107 -2.949 1.00 60.24 C ATOM 973 O LEU A 68 12.199 -0.458 -4.116 1.00 71.13 O ATOM 974 CB LEU A 68 9.895 0.518 -1.762 1.00 22.43 C ATOM 975 CG LEU A 68 9.104 1.599 -1.017 1.00 23.31 C ATOM 976 CD1 LEU A 68 7.781 1.014 -0.518 1.00 34.44 C ATOM 977 CD2 LEU A 68 9.888 2.086 0.198 1.00 21.03 C ATOM 0 H LEU A 68 9.879 0.957 -4.378 1.00 21.34 H new ATOM 0 HA LEU A 68 11.569 1.822 -2.108 1.00 32.14 H new ATOM 0 HB2 LEU A 68 9.205 -0.049 -2.387 1.00 22.43 H new ATOM 0 HB3 LEU A 68 10.307 -0.177 -1.030 1.00 22.43 H new ATOM 0 HG LEU A 68 8.926 2.427 -1.703 1.00 23.31 H new ATOM 0 HD11 LEU A 68 7.220 1.784 0.012 1.00 34.44 H new ATOM 0 HD12 LEU A 68 7.197 0.658 -1.367 1.00 34.44 H new ATOM 0 HD13 LEU A 68 7.983 0.183 0.157 1.00 34.44 H new ATOM 0 HD21 LEU A 68 9.314 2.853 0.718 1.00 21.03 H new ATOM 0 HD22 LEU A 68 10.070 1.250 0.873 1.00 21.03 H new ATOM 0 HD23 LEU A 68 10.841 2.503 -0.127 1.00 21.03 H new ATOM 988 N ASN A 69 12.579 -0.684 -1.900 1.00 24.10 N ATOM 989 CA ASN A 69 13.414 -1.865 -1.958 1.00 4.10 C ATOM 990 C ASN A 69 13.286 -2.623 -0.647 1.00 73.14 C ATOM 991 O ASN A 69 13.654 -2.104 0.408 1.00 44.22 O ATOM 992 CB ASN A 69 14.853 -1.437 -2.183 1.00 74.33 C ATOM 993 CG ASN A 69 15.740 -2.666 -2.365 1.00 24.03 C ATOM 994 OD1 ASN A 69 15.961 -3.433 -1.432 1.00 34.20 O ATOM 995 ND2 ASN A 69 16.203 -2.927 -3.568 1.00 54.14 N ATOM 0 H ASN A 69 12.474 -0.321 -0.953 1.00 24.10 H new ATOM 0 HA ASN A 69 13.103 -2.515 -2.776 1.00 4.10 H new ATOM 0 HB2 ASN A 69 14.918 -0.798 -3.064 1.00 74.33 H new ATOM 0 HB3 ASN A 69 15.203 -0.848 -1.335 1.00 74.33 H new ATOM 0 HD21 ASN A 69 16.750 -3.772 -3.732 1.00 54.14 H new ATOM 0 HD22 ASN A 69 16.015 -2.284 -4.337 1.00 54.14 H new ATOM 1001 N ILE A 70 12.738 -3.832 -0.704 1.00 23.34 N ATOM 1002 CA ILE A 70 12.561 -4.706 0.437 1.00 42.31 C ATOM 1003 C ILE A 70 13.244 -6.014 0.074 1.00 4.34 C ATOM 1004 O ILE A 70 13.031 -6.556 -1.008 1.00 42.22 O ATOM 1005 CB ILE A 70 11.060 -4.842 0.749 1.00 74.02 C ATOM 1006 CG1 ILE A 70 10.473 -3.474 1.152 1.00 2.31 C ATOM 1007 CG2 ILE A 70 10.797 -5.839 1.887 1.00 55.23 C ATOM 1008 CD1 ILE A 70 9.852 -2.697 -0.011 1.00 71.33 C ATOM 0 H ILE A 70 12.396 -4.238 -1.575 1.00 23.34 H new ATOM 0 HA ILE A 70 13.010 -4.322 1.353 1.00 42.31 H new ATOM 0 HB ILE A 70 10.580 -5.212 -0.157 1.00 74.02 H new ATOM 0 HG12 ILE A 70 9.714 -3.627 1.919 1.00 2.31 H new ATOM 0 HG13 ILE A 70 11.262 -2.869 1.600 1.00 2.31 H new ATOM 0 HG21 ILE A 70 9.725 -5.904 2.074 1.00 55.23 H new ATOM 0 HG22 ILE A 70 11.176 -6.821 1.605 1.00 55.23 H new ATOM 0 HG23 ILE A 70 11.303 -5.501 2.791 1.00 55.23 H new ATOM 0 HD11 ILE A 70 9.462 -1.747 0.353 1.00 71.33 H new ATOM 0 HD12 ILE A 70 10.611 -2.510 -0.770 1.00 71.33 H new ATOM 0 HD13 ILE A 70 9.040 -3.280 -0.446 1.00 71.33 H new ATOM 1019 N LEU A 71 14.104 -6.492 0.968 1.00 15.12 N ATOM 1020 CA LEU A 71 14.944 -7.687 0.865 1.00 22.44 C ATOM 1021 C LEU A 71 16.047 -7.557 -0.186 1.00 62.05 C ATOM 1022 O LEU A 71 16.978 -8.356 -0.148 1.00 14.20 O ATOM 1023 CB LEU A 71 14.158 -8.999 0.633 1.00 11.13 C ATOM 1024 CG LEU A 71 12.794 -9.143 1.327 1.00 53.12 C ATOM 1025 CD1 LEU A 71 12.234 -10.549 1.132 1.00 35.24 C ATOM 1026 CD2 LEU A 71 12.835 -8.836 2.825 1.00 74.35 C ATOM 0 H LEU A 71 14.245 -6.015 1.859 1.00 15.12 H new ATOM 0 HA LEU A 71 15.407 -7.755 1.850 1.00 22.44 H new ATOM 0 HB2 LEU A 71 14.003 -9.113 -0.440 1.00 11.13 H new ATOM 0 HB3 LEU A 71 14.788 -9.829 0.954 1.00 11.13 H new ATOM 0 HG LEU A 71 12.148 -8.403 0.855 1.00 53.12 H new ATOM 0 HD11 LEU A 71 11.268 -10.629 1.631 1.00 35.24 H new ATOM 0 HD12 LEU A 71 12.109 -10.747 0.067 1.00 35.24 H new ATOM 0 HD13 LEU A 71 12.924 -11.278 1.558 1.00 35.24 H new ATOM 0 HD21 LEU A 71 11.838 -8.958 3.249 1.00 74.35 H new ATOM 0 HD22 LEU A 71 13.525 -9.521 3.318 1.00 74.35 H new ATOM 0 HD23 LEU A 71 13.171 -7.810 2.977 1.00 74.35 H new ATOM 1037 N GLY A 72 15.981 -6.558 -1.068 1.00 33.11 N ATOM 1038 CA GLY A 72 16.930 -6.318 -2.147 1.00 12.22 C ATOM 1039 C GLY A 72 16.257 -6.089 -3.507 1.00 11.14 C ATOM 1040 O GLY A 72 16.893 -5.581 -4.435 1.00 73.23 O ATOM 0 H GLY A 72 15.231 -5.867 -1.045 1.00 33.11 H new ATOM 0 HA2 GLY A 72 17.539 -5.448 -1.900 1.00 12.22 H new ATOM 0 HA3 GLY A 72 17.606 -7.169 -2.223 1.00 12.22 H new ATOM 1044 N GLN A 73 14.963 -6.391 -3.641 1.00 64.33 N ATOM 1045 CA GLN A 73 14.197 -6.275 -4.871 1.00 3.33 C ATOM 1046 C GLN A 73 13.457 -4.946 -4.906 1.00 63.22 C ATOM 1047 O GLN A 73 12.814 -4.558 -3.928 1.00 75.15 O ATOM 1048 CB GLN A 73 13.296 -7.506 -5.099 1.00 63.13 C ATOM 1049 CG GLN A 73 12.695 -8.217 -3.886 1.00 3.32 C ATOM 1050 CD GLN A 73 13.630 -9.292 -3.314 1.00 40.42 C ATOM 1051 OE1 GLN A 73 14.845 -9.168 -3.256 1.00 1.42 O ATOM 1052 NE2 GLN A 73 13.088 -10.428 -2.925 1.00 43.44 N ATOM 0 H GLN A 73 14.404 -6.736 -2.861 1.00 64.33 H new ATOM 0 HA GLN A 73 14.880 -6.269 -5.720 1.00 3.33 H new ATOM 0 HB2 GLN A 73 12.472 -7.196 -5.741 1.00 63.13 H new ATOM 0 HB3 GLN A 73 13.877 -8.240 -5.657 1.00 63.13 H new ATOM 0 HG2 GLN A 73 12.473 -7.483 -3.111 1.00 3.32 H new ATOM 0 HG3 GLN A 73 11.748 -8.677 -4.170 1.00 3.32 H new ATOM 0 HE21 GLN A 73 12.076 -10.551 -2.966 1.00 43.44 H new ATOM 0 HE22 GLN A 73 13.680 -11.185 -2.583 1.00 43.44 H new ATOM 1059 N LYS A 74 13.568 -4.250 -6.041 1.00 23.32 N ATOM 1060 CA LYS A 74 12.925 -2.977 -6.295 1.00 75.35 C ATOM 1061 C LYS A 74 11.427 -3.203 -6.413 1.00 43.11 C ATOM 1062 O LYS A 74 10.985 -4.182 -7.020 1.00 33.44 O ATOM 1063 CB LYS A 74 13.497 -2.339 -7.575 1.00 41.22 C ATOM 1064 CG LYS A 74 13.285 -0.816 -7.557 1.00 61.44 C ATOM 1065 CD LYS A 74 14.035 -0.073 -8.677 1.00 62.12 C ATOM 1066 CE LYS A 74 14.676 1.201 -8.102 1.00 34.30 C ATOM 1067 NZ LYS A 74 15.304 2.079 -9.112 1.00 75.41 N ATOM 0 H LYS A 74 14.129 -4.576 -6.828 1.00 23.32 H new ATOM 0 HA LYS A 74 13.116 -2.289 -5.472 1.00 75.35 H new ATOM 0 HB2 LYS A 74 14.561 -2.563 -7.657 1.00 41.22 H new ATOM 0 HB3 LYS A 74 13.012 -2.770 -8.451 1.00 41.22 H new ATOM 0 HG2 LYS A 74 12.219 -0.606 -7.644 1.00 61.44 H new ATOM 0 HG3 LYS A 74 13.609 -0.424 -6.593 1.00 61.44 H new ATOM 0 HD2 LYS A 74 14.802 -0.718 -9.106 1.00 62.12 H new ATOM 0 HD3 LYS A 74 13.347 0.184 -9.482 1.00 62.12 H new ATOM 0 HE2 LYS A 74 13.913 1.768 -7.570 1.00 34.30 H new ATOM 0 HE3 LYS A 74 15.430 0.914 -7.369 1.00 34.30 H new ATOM 0 HZ1 LYS A 74 15.711 2.913 -8.642 1.00 75.41 H new ATOM 0 HZ2 LYS A 74 16.057 1.558 -9.605 1.00 75.41 H new ATOM 0 HZ3 LYS A 74 14.587 2.385 -9.800 1.00 75.41 H new ATOM 1077 N VAL A 75 10.662 -2.269 -5.874 1.00 13.53 N ATOM 1078 CA VAL A 75 9.212 -2.319 -5.773 1.00 14.33 C ATOM 1079 C VAL A 75 8.700 -0.983 -6.313 1.00 3.14 C ATOM 1080 O VAL A 75 9.277 0.065 -6.004 1.00 74.31 O ATOM 1081 CB VAL A 75 8.825 -2.557 -4.297 1.00 32.00 C ATOM 1082 CG1 VAL A 75 7.328 -2.818 -4.105 1.00 71.14 C ATOM 1083 CG2 VAL A 75 9.603 -3.714 -3.654 1.00 31.01 C ATOM 0 H VAL A 75 11.053 -1.415 -5.476 1.00 13.53 H new ATOM 0 HA VAL A 75 8.768 -3.132 -6.348 1.00 14.33 H new ATOM 0 HB VAL A 75 9.091 -1.625 -3.799 1.00 32.00 H new ATOM 0 HG11 VAL A 75 7.119 -2.978 -3.047 1.00 71.14 H new ATOM 0 HG12 VAL A 75 6.760 -1.958 -4.461 1.00 71.14 H new ATOM 0 HG13 VAL A 75 7.038 -3.704 -4.670 1.00 71.14 H new ATOM 0 HG21 VAL A 75 9.288 -3.833 -2.617 1.00 31.01 H new ATOM 0 HG22 VAL A 75 9.404 -4.635 -4.202 1.00 31.01 H new ATOM 0 HG23 VAL A 75 10.671 -3.497 -3.686 1.00 31.01 H new ATOM 1093 N SER A 76 7.649 -0.990 -7.133 1.00 20.40 N ATOM 1094 CA SER A 76 7.000 0.235 -7.600 1.00 34.34 C ATOM 1095 C SER A 76 5.834 0.574 -6.678 1.00 33.00 C ATOM 1096 O SER A 76 5.293 -0.316 -6.022 1.00 53.24 O ATOM 1097 CB SER A 76 6.465 0.044 -9.020 1.00 22.03 C ATOM 1098 OG SER A 76 7.459 -0.428 -9.909 1.00 33.43 O ATOM 0 H SER A 76 7.224 -1.845 -7.492 1.00 20.40 H new ATOM 0 HA SER A 76 7.732 1.042 -7.595 1.00 34.34 H new ATOM 0 HB2 SER A 76 5.634 -0.661 -9.001 1.00 22.03 H new ATOM 0 HB3 SER A 76 6.072 0.991 -9.388 1.00 22.03 H new ATOM 0 HG SER A 76 7.073 -0.537 -10.803 1.00 33.43 H new ATOM 1103 N MET A 77 5.377 1.825 -6.693 1.00 15.41 N ATOM 1104 CA MET A 77 4.157 2.233 -6.010 1.00 52.32 C ATOM 1105 C MET A 77 3.311 3.102 -6.927 1.00 42.13 C ATOM 1106 O MET A 77 3.832 3.974 -7.623 1.00 22.20 O ATOM 1107 CB MET A 77 4.455 2.937 -4.685 1.00 22.20 C ATOM 1108 CG MET A 77 5.516 4.039 -4.734 1.00 44.33 C ATOM 1109 SD MET A 77 6.826 3.941 -3.476 1.00 55.54 S ATOM 1110 CE MET A 77 5.846 4.048 -1.955 1.00 20.00 C ATOM 0 H MET A 77 5.847 2.586 -7.183 1.00 15.41 H new ATOM 0 HA MET A 77 3.589 1.336 -5.764 1.00 52.32 H new ATOM 0 HB2 MET A 77 3.528 3.370 -4.310 1.00 22.20 H new ATOM 0 HB3 MET A 77 4.772 2.186 -3.961 1.00 22.20 H new ATOM 0 HG2 MET A 77 5.983 4.022 -5.719 1.00 44.33 H new ATOM 0 HG3 MET A 77 5.016 5.002 -4.635 1.00 44.33 H new ATOM 0 HE1 MET A 77 6.503 4.269 -1.114 1.00 20.00 H new ATOM 0 HE2 MET A 77 5.105 4.841 -2.055 1.00 20.00 H new ATOM 0 HE3 MET A 77 5.340 3.098 -1.781 1.00 20.00 H new ATOM 1118 N HIS A 78 2.006 2.853 -6.918 1.00 72.43 N ATOM 1119 CA HIS A 78 0.992 3.502 -7.739 1.00 32.22 C ATOM 1120 C HIS A 78 -0.181 3.772 -6.804 1.00 44.33 C ATOM 1121 O HIS A 78 -0.582 2.842 -6.102 1.00 54.43 O ATOM 1122 CB HIS A 78 0.532 2.568 -8.876 1.00 21.31 C ATOM 1123 CG HIS A 78 1.630 1.896 -9.668 1.00 23.20 C ATOM 1124 ND1 HIS A 78 1.995 2.179 -10.968 1.00 73.24 N ATOM 1125 CD2 HIS A 78 2.366 0.817 -9.252 1.00 35.12 C ATOM 1126 CE1 HIS A 78 2.929 1.282 -11.333 1.00 15.31 C ATOM 1127 NE2 HIS A 78 3.197 0.446 -10.314 1.00 0.12 N ATOM 0 H HIS A 78 1.604 2.149 -6.299 1.00 72.43 H new ATOM 0 HA HIS A 78 1.380 4.412 -8.197 1.00 32.22 H new ATOM 0 HB2 HIS A 78 -0.105 1.794 -8.448 1.00 21.31 H new ATOM 0 HB3 HIS A 78 -0.085 3.144 -9.565 1.00 21.31 H new ATOM 0 HD2 HIS A 78 2.314 0.342 -8.284 1.00 35.12 H new ATOM 0 HE1 HIS A 78 3.397 1.239 -12.305 1.00 15.31 H new ATOM 0 HE2 HIS A 78 3.877 -0.314 -10.315 1.00 0.12 H new ATOM 1134 N TYR A 79 -0.721 4.990 -6.727 1.00 73.04 N ATOM 1135 CA TYR A 79 -1.876 5.182 -5.861 1.00 34.41 C ATOM 1136 C TYR A 79 -3.085 4.459 -6.434 1.00 24.21 C ATOM 1137 O TYR A 79 -3.518 4.783 -7.538 1.00 15.51 O ATOM 1138 CB TYR A 79 -2.232 6.643 -5.675 1.00 1.55 C ATOM 1139 CG TYR A 79 -1.149 7.495 -5.065 1.00 71.44 C ATOM 1140 CD1 TYR A 79 -0.647 7.275 -3.752 1.00 14.54 C ATOM 1141 CD2 TYR A 79 -0.709 8.586 -5.842 1.00 34.13 C ATOM 1142 CE1 TYR A 79 0.238 8.239 -3.235 1.00 3.24 C ATOM 1143 CE2 TYR A 79 0.252 9.470 -5.351 1.00 11.10 C ATOM 1144 CZ TYR A 79 0.735 9.292 -4.044 1.00 0.42 C ATOM 1145 OH TYR A 79 1.740 10.094 -3.609 1.00 41.53 O ATOM 0 H TYR A 79 -0.395 5.817 -7.227 1.00 73.04 H new ATOM 0 HA TYR A 79 -1.604 4.773 -4.888 1.00 34.41 H new ATOM 0 HB2 TYR A 79 -2.498 7.062 -6.645 1.00 1.55 H new ATOM 0 HB3 TYR A 79 -3.120 6.707 -5.046 1.00 1.55 H new ATOM 0 HD1 TYR A 79 -0.933 6.406 -3.177 1.00 14.54 H new ATOM 0 HD2 TYR A 79 -1.121 8.739 -6.829 1.00 34.13 H new ATOM 0 HE1 TYR A 79 0.545 8.176 -2.201 1.00 3.24 H new ATOM 0 HE2 TYR A 79 0.619 10.278 -5.966 1.00 11.10 H new ATOM 0 HH TYR A 79 1.938 10.769 -4.291 1.00 41.53 H new ATOM 1154 N SER A 80 -3.639 3.508 -5.693 1.00 40.14 N ATOM 1155 CA SER A 80 -4.786 2.724 -6.114 1.00 15.52 C ATOM 1156 C SER A 80 -6.059 3.340 -5.515 1.00 40.50 C ATOM 1157 O SER A 80 -6.864 2.643 -4.898 1.00 4.24 O ATOM 1158 CB SER A 80 -4.520 1.268 -5.703 1.00 4.24 C ATOM 1159 OG SER A 80 -4.649 0.398 -6.818 1.00 14.41 O ATOM 0 H SER A 80 -3.295 3.258 -4.766 1.00 40.14 H new ATOM 0 HA SER A 80 -4.939 2.732 -7.193 1.00 15.52 H new ATOM 0 HB2 SER A 80 -3.518 1.181 -5.282 1.00 4.24 H new ATOM 0 HB3 SER A 80 -5.220 0.972 -4.922 1.00 4.24 H new ATOM 0 HG SER A 80 -4.322 -0.494 -6.577 1.00 14.41 H new ATOM 1164 N ASP A 81 -6.196 4.667 -5.624 1.00 52.33 N ATOM 1165 CA ASP A 81 -7.213 5.419 -4.885 1.00 43.41 C ATOM 1166 C ASP A 81 -8.632 4.917 -5.173 1.00 64.03 C ATOM 1167 O ASP A 81 -8.894 4.355 -6.241 1.00 41.30 O ATOM 1168 CB ASP A 81 -7.054 6.938 -5.037 1.00 11.31 C ATOM 1169 CG ASP A 81 -7.370 7.595 -6.379 1.00 33.02 C ATOM 1170 OD1 ASP A 81 -8.166 7.082 -7.191 1.00 61.41 O ATOM 1171 OD2 ASP A 81 -6.924 8.756 -6.530 1.00 24.21 O ATOM 0 H ASP A 81 -5.608 5.245 -6.224 1.00 52.33 H new ATOM 0 HA ASP A 81 -7.042 5.220 -3.827 1.00 43.41 H new ATOM 0 HB2 ASP A 81 -7.686 7.410 -4.285 1.00 11.31 H new ATOM 0 HB3 ASP A 81 -6.022 7.185 -4.787 1.00 11.31 H new ATOM 1175 N PRO A 82 -9.543 4.999 -4.187 1.00 21.32 N ATOM 1176 CA PRO A 82 -10.618 4.013 -4.102 1.00 61.12 C ATOM 1177 C PRO A 82 -11.750 4.218 -5.095 1.00 14.51 C ATOM 1178 O PRO A 82 -12.480 3.269 -5.382 1.00 14.34 O ATOM 1179 CB PRO A 82 -11.153 4.115 -2.681 1.00 62.32 C ATOM 1180 CG PRO A 82 -10.728 5.484 -2.176 1.00 2.45 C ATOM 1181 CD PRO A 82 -9.457 5.786 -2.957 1.00 41.42 C ATOM 0 HA PRO A 82 -10.214 3.032 -4.351 1.00 61.12 H new ATOM 0 HB2 PRO A 82 -12.238 4.011 -2.663 1.00 62.32 H new ATOM 0 HB3 PRO A 82 -10.747 3.323 -2.052 1.00 62.32 H new ATOM 0 HG2 PRO A 82 -11.497 6.234 -2.360 1.00 2.45 H new ATOM 0 HG3 PRO A 82 -10.544 5.474 -1.102 1.00 2.45 H new ATOM 0 HD2 PRO A 82 -9.379 6.850 -3.179 1.00 41.42 H new ATOM 0 HD3 PRO A 82 -8.572 5.515 -2.382 1.00 41.42 H new ATOM 1186 N LYS A 83 -11.891 5.458 -5.565 1.00 72.21 N ATOM 1187 CA LYS A 83 -12.912 5.988 -6.480 1.00 23.44 C ATOM 1188 C LYS A 83 -14.368 5.755 -6.057 1.00 61.14 C ATOM 1189 O LYS A 83 -14.653 4.946 -5.171 1.00 61.01 O ATOM 1190 CB LYS A 83 -12.605 5.565 -7.928 1.00 23.25 C ATOM 1191 CG LYS A 83 -13.071 4.150 -8.290 1.00 1.42 C ATOM 1192 CD LYS A 83 -13.067 3.897 -9.794 1.00 73.03 C ATOM 1193 CE LYS A 83 -11.643 3.977 -10.347 1.00 21.04 C ATOM 1194 NZ LYS A 83 -11.393 2.944 -11.364 1.00 20.12 N ATOM 0 H LYS A 83 -11.233 6.188 -5.291 1.00 72.21 H new ATOM 0 HA LYS A 83 -12.836 7.074 -6.422 1.00 23.44 H new ATOM 0 HB2 LYS A 83 -13.077 6.274 -8.608 1.00 23.25 H new ATOM 0 HB3 LYS A 83 -11.530 5.633 -8.093 1.00 23.25 H new ATOM 0 HG2 LYS A 83 -12.423 3.422 -7.801 1.00 1.42 H new ATOM 0 HG3 LYS A 83 -14.077 3.993 -7.902 1.00 1.42 H new ATOM 0 HD2 LYS A 83 -13.491 2.915 -10.005 1.00 73.03 H new ATOM 0 HD3 LYS A 83 -13.699 4.631 -10.294 1.00 73.03 H new ATOM 0 HE2 LYS A 83 -11.477 4.963 -10.782 1.00 21.04 H new ATOM 0 HE3 LYS A 83 -10.929 3.864 -9.531 1.00 21.04 H new ATOM 0 HZ1 LYS A 83 -10.418 3.031 -11.715 1.00 20.12 H new ATOM 0 HZ2 LYS A 83 -11.527 2.003 -10.943 1.00 20.12 H new ATOM 0 HZ3 LYS A 83 -12.057 3.067 -12.155 1.00 20.12 H new ATOM 1204 N PRO A 84 -15.331 6.454 -6.674 1.00 71.14 N ATOM 1205 CA PRO A 84 -16.697 5.986 -6.698 1.00 0.33 C ATOM 1206 C PRO A 84 -16.759 4.770 -7.631 1.00 61.20 C ATOM 1207 O PRO A 84 -16.676 4.909 -8.850 1.00 63.02 O ATOM 1208 CB PRO A 84 -17.542 7.178 -7.162 1.00 55.41 C ATOM 1209 CG PRO A 84 -16.573 7.985 -8.021 1.00 4.52 C ATOM 1210 CD PRO A 84 -15.205 7.702 -7.405 1.00 54.51 C ATOM 0 HA PRO A 84 -17.079 5.653 -5.733 1.00 0.33 H new ATOM 0 HB2 PRO A 84 -18.412 6.855 -7.733 1.00 55.41 H new ATOM 0 HB3 PRO A 84 -17.912 7.761 -6.319 1.00 55.41 H new ATOM 0 HG2 PRO A 84 -16.612 7.674 -9.065 1.00 4.52 H new ATOM 0 HG3 PRO A 84 -16.809 9.049 -7.996 1.00 4.52 H new ATOM 0 HD2 PRO A 84 -14.441 7.623 -8.178 1.00 54.51 H new ATOM 0 HD3 PRO A 84 -14.904 8.512 -6.740 1.00 54.51 H new ATOM 1215 N LYS A 85 -16.863 3.567 -7.062 1.00 13.43 N ATOM 1216 CA LYS A 85 -17.081 2.309 -7.788 1.00 4.32 C ATOM 1217 C LYS A 85 -18.501 1.800 -7.514 1.00 3.14 C ATOM 1218 O LYS A 85 -18.752 0.595 -7.482 1.00 31.34 O ATOM 1219 CB LYS A 85 -15.961 1.307 -7.428 1.00 71.01 C ATOM 1220 CG LYS A 85 -15.696 0.207 -8.479 1.00 23.31 C ATOM 1221 CD LYS A 85 -16.096 -1.204 -8.013 1.00 60.31 C ATOM 1222 CE LYS A 85 -15.636 -2.326 -8.956 1.00 12.22 C ATOM 1223 NZ LYS A 85 -16.198 -2.203 -10.319 1.00 35.32 N ATOM 0 H LYS A 85 -16.796 3.435 -6.053 1.00 13.43 H new ATOM 0 HA LYS A 85 -17.018 2.456 -8.866 1.00 4.32 H new ATOM 0 HB2 LYS A 85 -15.037 1.863 -7.267 1.00 71.01 H new ATOM 0 HB3 LYS A 85 -16.214 0.829 -6.482 1.00 71.01 H new ATOM 0 HG2 LYS A 85 -16.244 0.448 -9.390 1.00 23.31 H new ATOM 0 HG3 LYS A 85 -14.636 0.209 -8.734 1.00 23.31 H new ATOM 0 HD2 LYS A 85 -15.677 -1.381 -7.022 1.00 60.31 H new ATOM 0 HD3 LYS A 85 -17.180 -1.249 -7.913 1.00 60.31 H new ATOM 0 HE2 LYS A 85 -14.548 -2.319 -9.016 1.00 12.22 H new ATOM 0 HE3 LYS A 85 -15.926 -3.289 -8.535 1.00 12.22 H new ATOM 0 HZ1 LYS A 85 -15.853 -2.987 -10.909 1.00 35.32 H new ATOM 0 HZ2 LYS A 85 -17.236 -2.237 -10.271 1.00 35.32 H new ATOM 0 HZ3 LYS A 85 -15.901 -1.298 -10.737 1.00 35.32 H new ATOM 1233 N ILE A 86 -19.432 2.698 -7.199 1.00 73.23 N ATOM 1234 CA ILE A 86 -20.860 2.404 -7.159 1.00 41.30 C ATOM 1235 C ILE A 86 -21.330 2.355 -8.619 1.00 13.35 C ATOM 1236 O ILE A 86 -20.675 2.912 -9.506 1.00 2.41 O ATOM 1237 CB ILE A 86 -21.624 3.466 -6.325 1.00 31.04 C ATOM 1238 CG1 ILE A 86 -20.847 4.014 -5.100 1.00 33.45 C ATOM 1239 CG2 ILE A 86 -22.953 2.871 -5.834 1.00 40.13 C ATOM 1240 CD1 ILE A 86 -20.054 5.284 -5.436 1.00 0.13 C ATOM 0 H ILE A 86 -19.210 3.665 -6.961 1.00 73.23 H new ATOM 0 HA ILE A 86 -21.061 1.452 -6.667 1.00 41.30 H new ATOM 0 HB ILE A 86 -21.775 4.310 -6.997 1.00 31.04 H new ATOM 0 HG12 ILE A 86 -21.548 4.229 -4.294 1.00 33.45 H new ATOM 0 HG13 ILE A 86 -20.164 3.248 -4.733 1.00 33.45 H new ATOM 0 HG21 ILE A 86 -23.491 3.616 -5.248 1.00 40.13 H new ATOM 0 HG22 ILE A 86 -23.559 2.577 -6.691 1.00 40.13 H new ATOM 0 HG23 ILE A 86 -22.753 1.997 -5.214 1.00 40.13 H new ATOM 0 HD11 ILE A 86 -19.527 5.630 -4.547 1.00 0.13 H new ATOM 0 HD12 ILE A 86 -19.333 5.065 -6.223 1.00 0.13 H new ATOM 0 HD13 ILE A 86 -20.738 6.061 -5.777 1.00 0.13 H new ATOM 1251 N ASN A 87 -22.451 1.684 -8.890 1.00 12.21 N ATOM 1252 CA ASN A 87 -23.016 1.596 -10.242 1.00 51.20 C ATOM 1253 C ASN A 87 -23.889 2.793 -10.593 1.00 33.11 C ATOM 1254 O ASN A 87 -24.372 2.896 -11.716 1.00 22.24 O ATOM 1255 CB ASN A 87 -23.816 0.299 -10.418 1.00 53.12 C ATOM 1256 CG ASN A 87 -23.001 -0.971 -10.594 1.00 43.41 C ATOM 1257 OD1 ASN A 87 -23.550 -1.994 -10.990 1.00 23.41 O ATOM 1258 ND2 ASN A 87 -21.733 -1.012 -10.217 1.00 44.41 N ATOM 0 H ASN A 87 -22.993 1.187 -8.183 1.00 12.21 H new ATOM 0 HA ASN A 87 -22.169 1.595 -10.929 1.00 51.20 H new ATOM 0 HB2 ASN A 87 -24.462 0.174 -9.549 1.00 53.12 H new ATOM 0 HB3 ASN A 87 -24.466 0.412 -11.285 1.00 53.12 H new ATOM 0 HD21 ASN A 87 -21.217 -1.891 -10.257 1.00 44.41 H new ATOM 0 HD22 ASN A 87 -21.271 -0.164 -9.887 1.00 44.41 H new ATOM 1264 N GLU A 88 -24.078 3.695 -9.644 1.00 60.03 N ATOM 1265 CA GLU A 88 -24.922 4.870 -9.742 1.00 61.01 C ATOM 1266 C GLU A 88 -24.153 6.051 -9.166 1.00 60.13 C ATOM 1267 O GLU A 88 -23.224 5.872 -8.377 1.00 61.44 O ATOM 1268 CB GLU A 88 -26.237 4.651 -8.970 1.00 2.23 C ATOM 1269 CG GLU A 88 -27.124 3.503 -9.492 1.00 0.33 C ATOM 1270 CD GLU A 88 -27.650 3.665 -10.925 1.00 13.34 C ATOM 1271 OE1 GLU A 88 -27.368 4.704 -11.575 1.00 33.02 O ATOM 1272 OE2 GLU A 88 -28.328 2.718 -11.371 1.00 55.21 O ATOM 0 H GLU A 88 -23.621 3.621 -8.735 1.00 60.03 H new ATOM 0 HA GLU A 88 -25.179 5.064 -10.783 1.00 61.01 H new ATOM 0 HB2 GLU A 88 -25.997 4.456 -7.925 1.00 2.23 H new ATOM 0 HB3 GLU A 88 -26.814 5.575 -8.998 1.00 2.23 H new ATOM 0 HG2 GLU A 88 -26.555 2.575 -9.437 1.00 0.33 H new ATOM 0 HG3 GLU A 88 -27.977 3.394 -8.822 1.00 0.33 H new ATOM 1277 N ASP A 89 -24.562 7.256 -9.552 1.00 14.42 N ATOM 1278 CA ASP A 89 -23.907 8.513 -9.176 1.00 42.50 C ATOM 1279 C ASP A 89 -24.928 9.567 -8.719 1.00 33.44 C ATOM 1280 O ASP A 89 -24.617 10.746 -8.578 1.00 0.33 O ATOM 1281 CB ASP A 89 -23.050 9.000 -10.355 1.00 44.41 C ATOM 1282 CG ASP A 89 -22.056 10.089 -9.950 1.00 32.14 C ATOM 1283 OD1 ASP A 89 -21.428 9.996 -8.869 1.00 13.15 O ATOM 1284 OD2 ASP A 89 -21.794 11.015 -10.743 1.00 42.40 O ATOM 0 H ASP A 89 -25.377 7.393 -10.149 1.00 14.42 H new ATOM 0 HA ASP A 89 -23.255 8.341 -8.320 1.00 42.50 H new ATOM 0 HB2 ASP A 89 -22.506 8.155 -10.777 1.00 44.41 H new ATOM 0 HB3 ASP A 89 -23.702 9.383 -11.140 1.00 44.41 H new ATOM 1288 N TRP A 90 -26.175 9.133 -8.510 1.00 40.40 N ATOM 1289 CA TRP A 90 -27.332 9.936 -8.140 1.00 22.03 C ATOM 1290 C TRP A 90 -28.176 9.241 -7.057 1.00 53.54 C ATOM 1291 O TRP A 90 -29.226 9.752 -6.665 1.00 0.12 O ATOM 1292 CB TRP A 90 -28.138 10.230 -9.417 1.00 35.21 C ATOM 1293 CG TRP A 90 -28.635 9.029 -10.174 1.00 35.25 C ATOM 1294 CD1 TRP A 90 -27.874 8.201 -10.926 1.00 74.20 C ATOM 1295 CD2 TRP A 90 -29.991 8.483 -10.238 1.00 44.10 C ATOM 1296 NE1 TRP A 90 -28.641 7.148 -11.377 1.00 71.23 N ATOM 1297 CE2 TRP A 90 -29.963 7.291 -11.020 1.00 73.31 C ATOM 1298 CE3 TRP A 90 -31.237 8.857 -9.690 1.00 22.21 C ATOM 1299 CZ2 TRP A 90 -31.107 6.510 -11.245 1.00 15.52 C ATOM 1300 CZ3 TRP A 90 -32.397 8.091 -9.919 1.00 21.05 C ATOM 1301 CH2 TRP A 90 -32.336 6.920 -10.697 1.00 62.30 C ATOM 0 H TRP A 90 -26.413 8.145 -8.602 1.00 40.40 H new ATOM 0 HA TRP A 90 -27.009 10.879 -7.698 1.00 22.03 H new ATOM 0 HB2 TRP A 90 -28.996 10.846 -9.148 1.00 35.21 H new ATOM 0 HB3 TRP A 90 -27.517 10.825 -10.086 1.00 35.21 H new ATOM 0 HD1 TRP A 90 -26.825 8.343 -11.140 1.00 74.20 H new ATOM 0 HE1 TRP A 90 -28.274 6.360 -11.910 1.00 71.23 H new ATOM 0 HE3 TRP A 90 -31.302 9.748 -9.083 1.00 22.21 H new ATOM 0 HZ2 TRP A 90 -31.045 5.605 -11.832 1.00 15.52 H new ATOM 0 HZ3 TRP A 90 -33.339 8.405 -9.495 1.00 21.05 H new ATOM 0 HH2 TRP A 90 -33.229 6.339 -10.873 1.00 62.30 H new ATOM 1311 N LEU A 91 -27.714 8.093 -6.555 1.00 64.33 N ATOM 1312 CA LEU A 91 -28.377 7.277 -5.535 1.00 1.13 C ATOM 1313 C LEU A 91 -27.781 7.570 -4.168 1.00 20.41 C ATOM 1314 O LEU A 91 -26.968 8.512 -4.062 1.00 64.42 O ATOM 1315 CB LEU A 91 -28.281 5.777 -5.896 1.00 73.14 C ATOM 1316 CG LEU A 91 -29.493 5.217 -6.666 1.00 12.22 C ATOM 1317 CD1 LEU A 91 -30.733 5.109 -5.776 1.00 51.11 C ATOM 1318 CD2 LEU A 91 -29.834 6.033 -7.912 1.00 44.30 C ATOM 0 H LEU A 91 -26.829 7.689 -6.862 1.00 64.33 H new ATOM 0 HA LEU A 91 -29.436 7.534 -5.500 1.00 1.13 H new ATOM 0 HB2 LEU A 91 -27.384 5.619 -6.495 1.00 73.14 H new ATOM 0 HB3 LEU A 91 -28.156 5.204 -4.977 1.00 73.14 H new ATOM 0 HG LEU A 91 -29.195 4.219 -6.987 1.00 12.22 H new ATOM 0 HD11 LEU A 91 -31.564 4.710 -6.357 1.00 51.11 H new ATOM 0 HD12 LEU A 91 -30.523 4.443 -4.939 1.00 51.11 H new ATOM 0 HD13 LEU A 91 -30.996 6.097 -5.397 1.00 51.11 H new ATOM 0 HD21 LEU A 91 -30.695 5.590 -8.412 1.00 44.30 H new ATOM 0 HD22 LEU A 91 -30.069 7.057 -7.623 1.00 44.30 H new ATOM 0 HD23 LEU A 91 -28.981 6.034 -8.591 1.00 44.30 H new TER 1329 LEU A 91