USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 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 18 THR OG1 : rot 131:sc= 1.35 USER MOD Set 1.2: A 38 HIS : no HD1:sc= 1.09 K(o=2.4,f=-6.1!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0971 (180deg=-0.566) USER MOD Single : A 1 MET N :NH3+ -157:sc= 1.17 (180deg=0.234) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00703 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.0096) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0747 USER MOD Single : A 35 SER OG : rot 158:sc= 0.418 USER MOD Single : A 37 MET CE :methyl -173:sc= -0.918 (180deg=-1.02) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 44:sc= 0.596 USER MOD Single : A 47 SER OG : rot 83:sc= 1.23 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0.62 (180deg=0.589) USER MOD Single : A 60 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.21) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -85:sc= 2 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00919) USER MOD Single : A 75 GLN : amide:sc= -0.365 K(o=-0.37,f=-2.3!) USER MOD Single : A 76 GLN : amide:sc= 0.26 X(o=0.26,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 80 GLN : amide:sc= 1.05 K(o=1.1,f=-0.86) USER MOD Single : A 82 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.84) USER MOD Single : A 83 ASN : amide:sc= 0.812 K(o=0.81,f=-8.7!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 1.89 K(o=1.9,f=-0.12) USER MOD Single : A 100 LYS NZ :NH3+ 129:sc= 0.0775 (180deg=-0.279) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.061 -2.316 -2.621 1.00 0.00 N ATOM 2 CA MET A 1 -13.361 -3.617 -2.494 1.00 0.00 C ATOM 3 C MET A 1 -12.433 -3.842 -3.678 1.00 0.00 C ATOM 4 O MET A 1 -12.822 -3.634 -4.826 1.00 0.00 O ATOM 5 CB MET A 1 -14.381 -4.758 -2.420 1.00 0.00 C ATOM 6 CG MET A 1 -13.753 -6.138 -2.296 1.00 0.00 C ATOM 7 SD MET A 1 -14.969 -7.464 -2.354 1.00 0.00 S ATOM 8 CE MET A 1 -15.993 -7.054 -0.940 1.00 0.00 C ATOM 0 H1 MET A 1 -14.368 -1.994 -1.681 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.415 -1.613 -3.034 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.891 -2.427 -3.237 1.00 0.00 H new ATOM 0 HA MET A 1 -12.769 -3.600 -1.579 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.038 -4.590 -1.567 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.006 -4.733 -3.313 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.031 -6.278 -3.101 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.201 -6.198 -1.358 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.592 -7.921 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.358 -6.766 -0.102 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.653 -6.225 -1.197 1.00 0.00 H new ATOM 20 N LEU A 2 -11.209 -4.269 -3.395 1.00 0.00 N ATOM 21 CA LEU A 2 -10.244 -4.546 -4.440 1.00 0.00 C ATOM 22 C LEU A 2 -10.392 -5.987 -4.909 1.00 0.00 C ATOM 23 O LEU A 2 -9.904 -6.921 -4.273 1.00 0.00 O ATOM 24 CB LEU A 2 -8.813 -4.280 -3.953 1.00 0.00 C ATOM 25 CG LEU A 2 -7.720 -4.461 -5.013 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.952 -3.525 -6.190 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.345 -4.227 -4.408 1.00 0.00 C ATOM 0 H LEU A 2 -10.865 -4.430 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.438 -3.878 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.760 -3.261 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.601 -4.947 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.765 -5.487 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.165 -3.670 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.920 -3.742 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.937 -2.492 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.582 -4.360 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.289 -3.213 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.176 -4.940 -3.601 1.00 0.00 H new ATOM 39 N VAL A 3 -11.127 -6.160 -5.991 1.00 0.00 N ATOM 40 CA VAL A 3 -11.318 -7.472 -6.586 1.00 0.00 C ATOM 41 C VAL A 3 -10.095 -7.858 -7.411 1.00 0.00 C ATOM 42 O VAL A 3 -9.825 -7.264 -8.454 1.00 0.00 O ATOM 43 CB VAL A 3 -12.577 -7.507 -7.481 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.800 -8.902 -8.050 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.799 -7.038 -6.705 1.00 0.00 C ATOM 0 H VAL A 3 -11.605 -5.403 -6.480 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.453 -8.187 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.420 -6.824 -8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -13.692 -8.901 -8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.937 -9.193 -8.648 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.931 -9.612 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.675 -7.070 -7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.958 -7.691 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.640 -6.017 -6.359 1.00 0.00 H new ATOM 55 N ILE A 4 -9.352 -8.839 -6.926 1.00 0.00 N ATOM 56 CA ILE A 4 -8.166 -9.316 -7.625 1.00 0.00 C ATOM 57 C ILE A 4 -8.523 -10.504 -8.508 1.00 0.00 C ATOM 58 O ILE A 4 -7.988 -10.672 -9.606 1.00 0.00 O ATOM 59 CB ILE A 4 -7.055 -9.726 -6.633 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.723 -8.554 -5.702 1.00 0.00 C ATOM 61 CG2 ILE A 4 -5.805 -10.187 -7.380 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.697 -8.891 -4.641 1.00 0.00 C ATOM 0 H ILE A 4 -9.548 -9.323 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.791 -8.499 -8.242 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.417 -10.561 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.354 -7.720 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.639 -8.217 -5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.036 -10.471 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.051 -11.045 -8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.435 -9.375 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.513 -8.014 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.071 -9.704 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.767 -9.199 -5.119 1.00 0.00 H new ATOM 74 N SER A 5 -9.448 -11.318 -8.025 1.00 0.00 N ATOM 75 CA SER A 5 -9.880 -12.500 -8.750 1.00 0.00 C ATOM 76 C SER A 5 -11.309 -12.855 -8.352 1.00 0.00 C ATOM 77 O SER A 5 -11.932 -12.147 -7.557 1.00 0.00 O ATOM 78 CB SER A 5 -8.926 -13.670 -8.461 1.00 0.00 C ATOM 79 OG SER A 5 -9.261 -14.816 -9.227 1.00 0.00 O ATOM 0 H SER A 5 -9.916 -11.180 -7.129 1.00 0.00 H new ATOM 0 HA SER A 5 -9.859 -12.297 -9.821 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.902 -13.369 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.963 -13.917 -7.400 1.00 0.00 H new ATOM 0 HG SER A 5 -8.635 -15.541 -9.022 1.00 0.00 H new ATOM 85 N ASN A 6 -11.819 -13.950 -8.902 1.00 0.00 N ATOM 86 CA ASN A 6 -13.178 -14.404 -8.623 1.00 0.00 C ATOM 87 C ASN A 6 -13.353 -14.714 -7.143 1.00 0.00 C ATOM 88 O ASN A 6 -14.379 -14.390 -6.547 1.00 0.00 O ATOM 89 CB ASN A 6 -13.500 -15.653 -9.448 1.00 0.00 C ATOM 90 CG ASN A 6 -13.541 -15.378 -10.939 1.00 0.00 C ATOM 91 OD1 ASN A 6 -12.512 -15.387 -11.611 1.00 0.00 O ATOM 92 ND2 ASN A 6 -14.736 -15.158 -11.472 1.00 0.00 N ATOM 0 H ASN A 6 -11.306 -14.547 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 6 -13.864 -13.602 -8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.752 -16.420 -9.245 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.462 -16.054 -9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.824 -14.988 -12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -15.567 -15.159 -10.880 1.00 0.00 H new ATOM 99 N ASN A 7 -12.337 -15.328 -6.556 1.00 0.00 N ATOM 100 CA ASN A 7 -12.394 -15.732 -5.157 1.00 0.00 C ATOM 101 C ASN A 7 -11.359 -14.992 -4.328 1.00 0.00 C ATOM 102 O ASN A 7 -11.056 -15.384 -3.205 1.00 0.00 O ATOM 103 CB ASN A 7 -12.182 -17.242 -5.032 1.00 0.00 C ATOM 104 CG ASN A 7 -13.391 -18.035 -5.474 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.550 -18.349 -6.655 1.00 0.00 O ATOM 106 ND2 ASN A 7 -14.245 -18.383 -4.523 1.00 0.00 N ATOM 0 H ASN A 7 -11.462 -15.558 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.382 -15.476 -4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.320 -17.535 -5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.949 -17.488 -3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.072 -18.932 -4.756 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.075 -18.102 -3.557 1.00 0.00 H new ATOM 113 N VAL A 8 -10.831 -13.909 -4.874 1.00 0.00 N ATOM 114 CA VAL A 8 -9.840 -13.115 -4.173 1.00 0.00 C ATOM 115 C VAL A 8 -10.296 -11.666 -4.100 1.00 0.00 C ATOM 116 O VAL A 8 -10.476 -11.001 -5.128 1.00 0.00 O ATOM 117 CB VAL A 8 -8.452 -13.186 -4.852 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.428 -12.373 -4.074 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.992 -14.631 -4.989 1.00 0.00 C ATOM 0 H VAL A 8 -11.073 -13.561 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.742 -13.528 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.542 -12.758 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.459 -12.437 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.746 -11.331 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.344 -12.767 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.014 -14.657 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.924 -15.086 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.709 -15.185 -5.595 1.00 0.00 H new ATOM 129 N HIS A 9 -10.476 -11.182 -2.886 1.00 0.00 N ATOM 130 CA HIS A 9 -10.947 -9.822 -2.645 1.00 0.00 C ATOM 131 C HIS A 9 -10.160 -9.176 -1.517 1.00 0.00 C ATOM 132 O HIS A 9 -9.796 -9.840 -0.547 1.00 0.00 O ATOM 133 CB HIS A 9 -12.432 -9.812 -2.257 1.00 0.00 C ATOM 134 CG HIS A 9 -13.365 -10.403 -3.266 1.00 0.00 C ATOM 135 ND1 HIS A 9 -14.283 -11.378 -2.953 1.00 0.00 N ATOM 136 CD2 HIS A 9 -13.550 -10.126 -4.577 1.00 0.00 C ATOM 137 CE1 HIS A 9 -14.987 -11.678 -4.025 1.00 0.00 C ATOM 138 NE2 HIS A 9 -14.569 -10.929 -5.027 1.00 0.00 N ATOM 0 H HIS A 9 -10.301 -11.717 -2.035 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.806 -9.264 -3.571 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.548 -10.355 -1.319 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.734 -8.782 -2.069 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.998 -9.406 -5.162 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.775 -12.415 -4.075 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.940 -10.944 -5.977 1.00 0.00 H new ATOM 147 N LEU A 10 -9.896 -7.885 -1.649 1.00 0.00 N ATOM 148 CA LEU A 10 -9.319 -7.114 -0.561 1.00 0.00 C ATOM 149 C LEU A 10 -10.342 -6.125 -0.023 1.00 0.00 C ATOM 150 O LEU A 10 -10.737 -5.182 -0.717 1.00 0.00 O ATOM 151 CB LEU A 10 -8.051 -6.385 -1.008 1.00 0.00 C ATOM 152 CG LEU A 10 -6.841 -7.287 -1.244 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.618 -6.458 -1.597 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.570 -8.139 -0.014 1.00 0.00 C ATOM 0 H LEU A 10 -10.073 -7.350 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.040 -7.804 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.267 -5.842 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.791 -5.642 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.060 -7.948 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.766 -7.118 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.815 -5.887 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.394 -5.773 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.705 -8.777 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.370 -7.492 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.441 -8.760 0.197 1.00 0.00 H new ATOM 166 N PRO A 11 -10.816 -6.360 1.210 1.00 0.00 N ATOM 167 CA PRO A 11 -11.801 -5.501 1.866 1.00 0.00 C ATOM 168 C PRO A 11 -11.257 -4.108 2.157 1.00 0.00 C ATOM 169 O PRO A 11 -10.109 -3.950 2.573 1.00 0.00 O ATOM 170 CB PRO A 11 -12.119 -6.229 3.178 1.00 0.00 C ATOM 171 CG PRO A 11 -11.609 -7.616 2.988 1.00 0.00 C ATOM 172 CD PRO A 11 -10.435 -7.496 2.060 1.00 0.00 C ATOM 0 HA PRO A 11 -12.674 -5.344 1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.634 -5.744 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.190 -6.227 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.312 -8.057 3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.379 -8.261 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.508 -7.305 2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.283 -8.405 1.478 1.00 0.00 H new ATOM 180 N ASP A 12 -12.105 -3.110 1.943 1.00 0.00 N ATOM 181 CA ASP A 12 -11.763 -1.711 2.162 1.00 0.00 C ATOM 182 C ASP A 12 -11.305 -1.467 3.594 1.00 0.00 C ATOM 183 O ASP A 12 -10.404 -0.670 3.849 1.00 0.00 O ATOM 184 CB ASP A 12 -12.992 -0.852 1.880 1.00 0.00 C ATOM 185 CG ASP A 12 -13.467 -0.954 0.448 1.00 0.00 C ATOM 186 OD1 ASP A 12 -14.037 -2.003 0.081 1.00 0.00 O ATOM 187 OD2 ASP A 12 -13.286 0.013 -0.316 1.00 0.00 O ATOM 0 H ASP A 12 -13.059 -3.251 1.609 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.944 -1.448 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.800 -1.153 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.761 0.189 2.107 1.00 0.00 H new ATOM 192 N ALA A 13 -11.949 -2.163 4.520 1.00 0.00 N ATOM 193 CA ALA A 13 -11.667 -2.023 5.945 1.00 0.00 C ATOM 194 C ALA A 13 -10.207 -2.328 6.285 1.00 0.00 C ATOM 195 O ALA A 13 -9.689 -1.831 7.282 1.00 0.00 O ATOM 196 CB ALA A 13 -12.595 -2.921 6.749 1.00 0.00 C ATOM 0 H ALA A 13 -12.681 -2.840 4.307 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.845 -0.981 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.378 -2.810 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.630 -2.638 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.443 -3.959 6.454 1.00 0.00 H new ATOM 202 N GLU A 14 -9.541 -3.121 5.450 1.00 0.00 N ATOM 203 CA GLU A 14 -8.157 -3.513 5.707 1.00 0.00 C ATOM 204 C GLU A 14 -7.183 -2.441 5.231 1.00 0.00 C ATOM 205 O GLU A 14 -5.967 -2.583 5.361 1.00 0.00 O ATOM 206 CB GLU A 14 -7.835 -4.847 5.025 1.00 0.00 C ATOM 207 CG GLU A 14 -8.764 -5.975 5.438 1.00 0.00 C ATOM 208 CD GLU A 14 -8.367 -7.326 4.863 1.00 0.00 C ATOM 209 OE1 GLU A 14 -7.456 -7.390 4.013 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.977 -8.337 5.271 1.00 0.00 O ATOM 0 H GLU A 14 -9.936 -3.504 4.591 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.044 -3.630 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.891 -4.717 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.808 -5.128 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.781 -6.042 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.778 -5.736 5.118 1.00 0.00 H new ATOM 217 N ILE A 15 -7.729 -1.365 4.695 1.00 0.00 N ATOM 218 CA ILE A 15 -6.920 -0.277 4.169 1.00 0.00 C ATOM 219 C ILE A 15 -6.973 0.938 5.094 1.00 0.00 C ATOM 220 O ILE A 15 -8.033 1.530 5.309 1.00 0.00 O ATOM 221 CB ILE A 15 -7.387 0.131 2.752 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.391 -1.086 1.818 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.490 1.231 2.192 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.957 -0.799 0.440 1.00 0.00 C ATOM 0 H ILE A 15 -8.735 -1.219 4.612 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.892 -0.635 4.110 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.404 0.516 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.371 -1.454 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.971 -1.885 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.832 1.507 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.533 2.103 2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.463 0.870 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.926 -1.707 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.989 -0.460 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.363 -0.023 -0.043 1.00 0.00 H new ATOM 236 N GLU A 16 -5.823 1.290 5.651 1.00 0.00 N ATOM 237 CA GLU A 16 -5.696 2.472 6.491 1.00 0.00 C ATOM 238 C GLU A 16 -5.238 3.661 5.648 1.00 0.00 C ATOM 239 O GLU A 16 -4.058 3.768 5.300 1.00 0.00 O ATOM 240 CB GLU A 16 -4.699 2.204 7.623 1.00 0.00 C ATOM 241 CG GLU A 16 -4.306 3.434 8.432 1.00 0.00 C ATOM 242 CD GLU A 16 -5.392 3.902 9.378 1.00 0.00 C ATOM 243 OE1 GLU A 16 -6.237 4.721 8.965 1.00 0.00 O ATOM 244 OE2 GLU A 16 -5.388 3.466 10.550 1.00 0.00 O ATOM 0 H GLU A 16 -4.955 0.767 5.534 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.666 2.707 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.128 1.464 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.798 1.763 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.406 3.211 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.055 4.245 7.748 1.00 0.00 H new ATOM 251 N LEU A 17 -6.178 4.529 5.297 1.00 0.00 N ATOM 252 CA LEU A 17 -5.872 5.718 4.522 1.00 0.00 C ATOM 253 C LEU A 17 -5.863 6.945 5.420 1.00 0.00 C ATOM 254 O LEU A 17 -6.909 7.380 5.904 1.00 0.00 O ATOM 255 CB LEU A 17 -6.889 5.907 3.390 1.00 0.00 C ATOM 256 CG LEU A 17 -6.807 4.884 2.258 1.00 0.00 C ATOM 257 CD1 LEU A 17 -7.929 5.103 1.257 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.456 4.964 1.567 1.00 0.00 C ATOM 0 H LEU A 17 -7.164 4.428 5.540 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.883 5.591 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.892 5.873 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.756 6.903 2.967 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.919 3.888 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.853 4.365 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.891 4.997 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.849 6.104 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.414 4.229 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.318 5.963 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.665 4.758 2.289 1.00 0.00 H new ATOM 270 N THR A 18 -4.686 7.500 5.641 1.00 0.00 N ATOM 271 CA THR A 18 -4.542 8.672 6.485 1.00 0.00 C ATOM 272 C THR A 18 -3.938 9.822 5.690 1.00 0.00 C ATOM 273 O THR A 18 -3.218 9.598 4.719 1.00 0.00 O ATOM 274 CB THR A 18 -3.632 8.367 7.689 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.643 6.957 7.969 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.085 9.134 8.922 1.00 0.00 C ATOM 0 H THR A 18 -3.811 7.156 5.245 1.00 0.00 H new ATOM 0 HA THR A 18 -5.533 8.951 6.844 1.00 0.00 H new ATOM 0 HB THR A 18 -2.619 8.682 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.722 6.634 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.426 8.901 9.758 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.048 10.204 8.719 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.106 8.847 9.174 1.00 0.00 H new ATOM 284 N ALA A 19 -4.237 11.044 6.085 1.00 0.00 N ATOM 285 CA ALA A 19 -3.646 12.217 5.461 1.00 0.00 C ATOM 286 C ALA A 19 -2.634 12.855 6.402 1.00 0.00 C ATOM 287 O ALA A 19 -2.915 13.038 7.589 1.00 0.00 O ATOM 288 CB ALA A 19 -4.727 13.216 5.073 1.00 0.00 C ATOM 0 H ALA A 19 -4.890 11.254 6.840 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.128 11.909 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.267 14.088 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.417 12.750 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.272 13.526 5.964 1.00 0.00 H new ATOM 294 N ILE A 20 -1.463 13.177 5.882 1.00 0.00 N ATOM 295 CA ILE A 20 -0.408 13.771 6.689 1.00 0.00 C ATOM 296 C ILE A 20 -0.425 15.287 6.541 1.00 0.00 C ATOM 297 O ILE A 20 -0.274 15.815 5.438 1.00 0.00 O ATOM 298 CB ILE A 20 0.983 13.226 6.291 1.00 0.00 C ATOM 299 CG1 ILE A 20 1.003 11.698 6.383 1.00 0.00 C ATOM 300 CG2 ILE A 20 2.065 13.829 7.183 1.00 0.00 C ATOM 301 CD1 ILE A 20 2.292 11.074 5.891 1.00 0.00 C ATOM 0 H ILE A 20 -1.217 13.037 4.902 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.595 13.503 7.729 1.00 0.00 H new ATOM 0 HB ILE A 20 1.186 13.513 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.840 11.403 7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.172 11.297 5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.039 13.436 6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.064 14.914 7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.866 13.569 8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.231 9.990 5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.448 11.337 4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.126 11.445 6.486 1.00 0.00 H new ATOM 313 N ARG A 21 -0.624 15.982 7.654 1.00 0.00 N ATOM 314 CA ARG A 21 -0.664 17.439 7.652 1.00 0.00 C ATOM 315 C ARG A 21 0.705 18.022 7.308 1.00 0.00 C ATOM 316 O ARG A 21 1.719 17.323 7.354 1.00 0.00 O ATOM 317 CB ARG A 21 -1.142 17.972 9.006 1.00 0.00 C ATOM 318 CG ARG A 21 -0.218 17.644 10.170 1.00 0.00 C ATOM 319 CD ARG A 21 -0.732 18.247 11.468 1.00 0.00 C ATOM 320 NE ARG A 21 0.141 17.954 12.603 1.00 0.00 N ATOM 321 CZ ARG A 21 -0.125 18.308 13.859 1.00 0.00 C ATOM 322 NH1 ARG A 21 -1.235 18.978 14.149 1.00 0.00 N ATOM 323 NH2 ARG A 21 0.730 17.993 14.822 1.00 0.00 N ATOM 0 H ARG A 21 -0.761 15.559 8.572 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.374 17.752 6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.252 19.054 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.130 17.563 9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.134 16.563 10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.783 18.023 9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.823 19.327 11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.731 17.863 11.673 1.00 0.00 H new ATOM 0 HE ARG A 21 1.007 17.447 12.422 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.890 19.225 13.407 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.432 19.246 15.113 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.585 17.483 14.599 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.533 18.261 15.786 1.00 0.00 H new ATOM 494 N SER A 34 -0.891 19.056 3.168 1.00 0.00 N ATOM 495 CA SER A 34 -0.129 18.662 1.993 1.00 0.00 C ATOM 496 C SER A 34 -0.795 17.456 1.335 1.00 0.00 C ATOM 497 O SER A 34 -1.759 16.911 1.868 1.00 0.00 O ATOM 498 CB SER A 34 1.318 18.334 2.383 1.00 0.00 C ATOM 499 OG SER A 34 2.124 18.124 1.233 1.00 0.00 O ATOM 0 HA SER A 34 -0.110 19.488 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.731 19.150 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.335 17.443 3.010 1.00 0.00 H new ATOM 0 HG SER A 34 3.041 17.918 1.510 1.00 0.00 H new ATOM 505 N SER A 35 -0.287 17.036 0.191 1.00 0.00 N ATOM 506 CA SER A 35 -0.875 15.923 -0.535 1.00 0.00 C ATOM 507 C SER A 35 -0.365 14.589 0.001 1.00 0.00 C ATOM 508 O SER A 35 -0.801 13.525 -0.441 1.00 0.00 O ATOM 509 CB SER A 35 -0.565 16.055 -2.025 1.00 0.00 C ATOM 510 OG SER A 35 0.825 16.237 -2.243 1.00 0.00 O ATOM 0 H SER A 35 0.532 17.448 -0.256 1.00 0.00 H new ATOM 0 HA SER A 35 -1.955 15.948 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.905 15.163 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.115 16.899 -2.441 1.00 0.00 H new ATOM 0 HG SER A 35 1.051 15.965 -3.157 1.00 0.00 H new ATOM 516 N ALA A 36 0.549 14.665 0.961 1.00 0.00 N ATOM 517 CA ALA A 36 1.170 13.489 1.553 1.00 0.00 C ATOM 518 C ALA A 36 0.143 12.598 2.240 1.00 0.00 C ATOM 519 O ALA A 36 -0.402 12.945 3.289 1.00 0.00 O ATOM 520 CB ALA A 36 2.251 13.914 2.537 1.00 0.00 C ATOM 0 H ALA A 36 0.881 15.547 1.351 1.00 0.00 H new ATOM 0 HA ALA A 36 1.623 12.906 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.711 13.029 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.010 14.497 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.807 14.521 3.326 1.00 0.00 H new ATOM 526 N MET A 37 -0.130 11.464 1.627 1.00 0.00 N ATOM 527 CA MET A 37 -1.026 10.477 2.197 1.00 0.00 C ATOM 528 C MET A 37 -0.233 9.388 2.905 1.00 0.00 C ATOM 529 O MET A 37 0.888 9.054 2.511 1.00 0.00 O ATOM 530 CB MET A 37 -1.896 9.838 1.112 1.00 0.00 C ATOM 531 CG MET A 37 -2.825 10.813 0.404 1.00 0.00 C ATOM 532 SD MET A 37 -4.089 11.509 1.493 1.00 0.00 S ATOM 533 CE MET A 37 -4.962 10.031 1.993 1.00 0.00 C ATOM 0 H MET A 37 0.261 11.201 0.723 1.00 0.00 H new ATOM 0 HA MET A 37 -1.669 10.987 2.915 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.248 9.368 0.372 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.494 9.045 1.561 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.234 11.624 -0.021 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.311 10.303 -0.427 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.846 10.307 2.567 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.264 9.470 1.109 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.308 9.413 2.609 1.00 0.00 H new ATOM 543 N HIS A 38 -0.829 8.849 3.948 1.00 0.00 N ATOM 544 CA HIS A 38 -0.257 7.742 4.697 1.00 0.00 C ATOM 545 C HIS A 38 -1.084 6.492 4.450 1.00 0.00 C ATOM 546 O HIS A 38 -2.304 6.504 4.601 1.00 0.00 O ATOM 547 CB HIS A 38 -0.221 8.066 6.195 1.00 0.00 C ATOM 548 CG HIS A 38 0.075 6.887 7.082 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.902 6.226 7.798 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.239 6.251 7.364 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.353 5.239 8.480 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.944 5.229 8.236 1.00 0.00 N ATOM 0 H HIS A 38 -1.730 9.167 4.305 1.00 0.00 H new ATOM 0 HA HIS A 38 0.767 7.574 4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.532 8.834 6.370 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.182 8.491 6.485 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.216 6.500 6.976 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.877 4.554 9.129 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.617 4.571 8.629 1.00 0.00 H new ATOM 561 N LEU A 39 -0.415 5.427 4.077 1.00 0.00 N ATOM 562 CA LEU A 39 -1.085 4.174 3.795 1.00 0.00 C ATOM 563 C LEU A 39 -0.549 3.072 4.688 1.00 0.00 C ATOM 564 O LEU A 39 0.660 2.855 4.754 1.00 0.00 O ATOM 565 CB LEU A 39 -0.895 3.788 2.324 1.00 0.00 C ATOM 566 CG LEU A 39 -1.447 2.412 1.934 1.00 0.00 C ATOM 567 CD1 LEU A 39 -2.957 2.366 2.116 1.00 0.00 C ATOM 568 CD2 LEU A 39 -1.073 2.070 0.502 1.00 0.00 C ATOM 0 H LEU A 39 0.598 5.401 3.961 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.149 4.303 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.374 4.544 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.170 3.813 2.093 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.000 1.668 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.328 1.381 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.204 2.561 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.423 3.123 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.474 1.090 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.488 2.820 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.012 2.055 0.403 1.00 0.00 H new ATOM 580 N ARG A 40 -1.446 2.409 5.400 1.00 0.00 N ATOM 581 CA ARG A 40 -1.093 1.207 6.127 1.00 0.00 C ATOM 582 C ARG A 40 -1.988 0.058 5.699 1.00 0.00 C ATOM 583 O ARG A 40 -3.207 0.115 5.850 1.00 0.00 O ATOM 584 CB ARG A 40 -1.195 1.393 7.643 1.00 0.00 C ATOM 585 CG ARG A 40 -1.036 0.079 8.398 1.00 0.00 C ATOM 586 CD ARG A 40 -1.233 0.231 9.896 1.00 0.00 C ATOM 587 NE ARG A 40 -1.170 -1.066 10.576 1.00 0.00 N ATOM 588 CZ ARG A 40 -0.438 -1.314 11.665 1.00 0.00 C ATOM 589 NH1 ARG A 40 0.286 -0.352 12.226 1.00 0.00 N ATOM 590 NH2 ARG A 40 -0.428 -2.536 12.191 1.00 0.00 N ATOM 0 H ARG A 40 -2.424 2.686 5.488 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.053 0.982 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.429 2.094 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.160 1.836 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.755 -0.644 8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.042 -0.326 8.207 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.468 0.893 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.197 0.700 10.092 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.723 -1.832 10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.286 0.586 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.842 -0.551 13.058 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.978 -3.280 11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.130 -2.729 13.023 1.00 0.00 H new ATOM 604 N PHE A 41 -1.381 -0.970 5.148 1.00 0.00 N ATOM 605 CA PHE A 41 -2.093 -2.194 4.845 1.00 0.00 C ATOM 606 C PHE A 41 -1.596 -3.283 5.781 1.00 0.00 C ATOM 607 O PHE A 41 -0.428 -3.669 5.730 1.00 0.00 O ATOM 608 CB PHE A 41 -1.879 -2.595 3.384 1.00 0.00 C ATOM 609 CG PHE A 41 -2.761 -3.724 2.933 1.00 0.00 C ATOM 610 CD1 PHE A 41 -4.082 -3.488 2.589 1.00 0.00 C ATOM 611 CD2 PHE A 41 -2.275 -5.019 2.857 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.901 -4.518 2.173 1.00 0.00 C ATOM 613 CE2 PHE A 41 -3.089 -6.056 2.443 1.00 0.00 C ATOM 614 CZ PHE A 41 -4.406 -5.804 2.102 1.00 0.00 C ATOM 0 H PHE A 41 -0.392 -0.983 4.899 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.163 -2.045 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.060 -1.728 2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.837 -2.881 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.476 -2.484 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.248 -5.220 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.927 -4.318 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.698 -7.061 2.386 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.046 -6.613 1.781 1.00 0.00 H new ATOM 624 N ASP A 42 -2.464 -3.745 6.663 1.00 0.00 N ATOM 625 CA ASP A 42 -2.076 -4.741 7.648 1.00 0.00 C ATOM 626 C ASP A 42 -2.267 -6.138 7.074 1.00 0.00 C ATOM 627 O ASP A 42 -3.380 -6.655 7.020 1.00 0.00 O ATOM 628 CB ASP A 42 -2.881 -4.568 8.940 1.00 0.00 C ATOM 629 CG ASP A 42 -2.312 -5.372 10.092 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.565 -6.592 10.156 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.613 -4.777 10.952 1.00 0.00 O ATOM 0 H ASP A 42 -3.438 -3.449 6.718 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.022 -4.604 7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.901 -3.513 9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.913 -4.872 8.764 1.00 0.00 H new ATOM 636 N ILE A 43 -1.166 -6.726 6.625 1.00 0.00 N ATOM 637 CA ILE A 43 -1.184 -8.034 5.985 1.00 0.00 C ATOM 638 C ILE A 43 -1.579 -9.114 6.982 1.00 0.00 C ATOM 639 O ILE A 43 -2.217 -10.101 6.625 1.00 0.00 O ATOM 640 CB ILE A 43 0.204 -8.382 5.397 1.00 0.00 C ATOM 641 CG1 ILE A 43 0.700 -7.250 4.496 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.148 -9.692 4.626 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.113 -7.457 3.995 1.00 0.00 C ATOM 0 H ILE A 43 -0.237 -6.310 6.694 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.917 -7.993 5.179 1.00 0.00 H new ATOM 0 HB ILE A 43 0.906 -8.502 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.030 -7.155 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.651 -6.310 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.134 -9.918 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.162 -10.495 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.568 -9.603 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.401 -6.618 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.794 -7.522 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.163 -8.380 3.418 1.00 0.00 H new ATOM 655 N ASN A 44 -1.206 -8.899 8.233 1.00 0.00 N ATOM 656 CA ASN A 44 -1.456 -9.856 9.298 1.00 0.00 C ATOM 657 C ASN A 44 -2.949 -10.154 9.419 1.00 0.00 C ATOM 658 O ASN A 44 -3.369 -11.311 9.369 1.00 0.00 O ATOM 659 CB ASN A 44 -0.923 -9.296 10.616 1.00 0.00 C ATOM 660 CG ASN A 44 -0.848 -10.334 11.710 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.817 -10.567 12.435 1.00 0.00 O ATOM 662 ND2 ASN A 44 0.316 -10.940 11.856 1.00 0.00 N ATOM 0 H ASN A 44 -0.721 -8.055 8.539 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.943 -10.788 9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.070 -8.877 10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.564 -8.477 10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.441 -11.634 12.593 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.090 -10.714 11.231 1.00 0.00 H new ATOM 669 N ALA A 45 -3.744 -9.100 9.554 1.00 0.00 N ATOM 670 CA ALA A 45 -5.188 -9.242 9.693 1.00 0.00 C ATOM 671 C ALA A 45 -5.885 -9.216 8.334 1.00 0.00 C ATOM 672 O ALA A 45 -7.113 -9.237 8.257 1.00 0.00 O ATOM 673 CB ALA A 45 -5.742 -8.148 10.593 1.00 0.00 C ATOM 0 H ALA A 45 -3.412 -8.136 9.570 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.386 -10.211 10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.821 -8.267 10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.281 -8.219 11.578 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.521 -7.173 10.159 1.00 0.00 H new ATOM 679 N SER A 46 -5.097 -9.186 7.270 1.00 0.00 N ATOM 680 CA SER A 46 -5.638 -9.119 5.921 1.00 0.00 C ATOM 681 C SER A 46 -6.210 -10.466 5.487 1.00 0.00 C ATOM 682 O SER A 46 -5.829 -11.517 6.012 1.00 0.00 O ATOM 683 CB SER A 46 -4.557 -8.672 4.934 1.00 0.00 C ATOM 684 OG SER A 46 -5.060 -8.608 3.613 1.00 0.00 O ATOM 0 H SER A 46 -4.078 -9.207 7.315 1.00 0.00 H new ATOM 0 HA SER A 46 -6.446 -8.388 5.923 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.176 -7.694 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.717 -9.366 4.972 1.00 0.00 H new ATOM 0 HG SER A 46 -5.942 -8.181 3.619 1.00 0.00 H new ATOM 690 N SER A 47 -7.117 -10.423 4.516 1.00 0.00 N ATOM 691 CA SER A 47 -7.737 -11.624 3.975 1.00 0.00 C ATOM 692 C SER A 47 -6.855 -12.255 2.894 1.00 0.00 C ATOM 693 O SER A 47 -7.260 -13.211 2.228 1.00 0.00 O ATOM 694 CB SER A 47 -9.116 -11.279 3.404 1.00 0.00 C ATOM 695 OG SER A 47 -9.906 -10.592 4.365 1.00 0.00 O ATOM 0 H SER A 47 -7.441 -9.557 4.085 1.00 0.00 H new ATOM 0 HA SER A 47 -7.853 -12.350 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.001 -10.661 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.625 -12.192 3.095 1.00 0.00 H new ATOM 0 HG SER A 47 -9.673 -9.640 4.360 1.00 0.00 H new ATOM 701 N LEU A 48 -5.652 -11.706 2.721 1.00 0.00 N ATOM 702 CA LEU A 48 -4.688 -12.235 1.763 1.00 0.00 C ATOM 703 C LEU A 48 -4.415 -13.718 2.001 1.00 0.00 C ATOM 704 O LEU A 48 -4.290 -14.161 3.147 1.00 0.00 O ATOM 705 CB LEU A 48 -3.373 -11.455 1.849 1.00 0.00 C ATOM 706 CG LEU A 48 -3.387 -10.064 1.213 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.061 -9.356 1.453 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.670 -10.167 -0.278 1.00 0.00 C ATOM 0 H LEU A 48 -5.323 -10.890 3.237 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.119 -12.121 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.101 -11.352 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.590 -12.045 1.373 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.180 -9.479 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.088 -8.368 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.892 -9.254 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.252 -9.939 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.677 -9.169 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.895 -10.768 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.641 -10.638 -0.432 1.00 0.00 H new ATOM 720 N PRO A 49 -4.334 -14.502 0.917 1.00 0.00 N ATOM 721 CA PRO A 49 -4.008 -15.929 0.987 1.00 0.00 C ATOM 722 C PRO A 49 -2.630 -16.173 1.605 1.00 0.00 C ATOM 723 O PRO A 49 -1.718 -15.355 1.448 1.00 0.00 O ATOM 724 CB PRO A 49 -4.023 -16.377 -0.482 1.00 0.00 C ATOM 725 CG PRO A 49 -4.830 -15.348 -1.194 1.00 0.00 C ATOM 726 CD PRO A 49 -4.568 -14.059 -0.471 1.00 0.00 C ATOM 0 HA PRO A 49 -4.709 -16.477 1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.013 -16.435 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.466 -17.367 -0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.538 -15.276 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.890 -15.599 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.704 -13.535 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.416 -13.377 -0.540 1.00 0.00 H new ATOM 734 N PRO A 50 -2.473 -17.303 2.317 1.00 0.00 N ATOM 735 CA PRO A 50 -1.220 -17.662 3.000 1.00 0.00 C ATOM 736 C PRO A 50 0.012 -17.542 2.100 1.00 0.00 C ATOM 737 O PRO A 50 1.046 -17.032 2.530 1.00 0.00 O ATOM 738 CB PRO A 50 -1.445 -19.120 3.398 1.00 0.00 C ATOM 739 CG PRO A 50 -2.919 -19.250 3.542 1.00 0.00 C ATOM 740 CD PRO A 50 -3.518 -18.327 2.518 1.00 0.00 C ATOM 0 HA PRO A 50 -1.015 -16.994 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.060 -19.801 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.934 -19.359 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.238 -20.279 3.374 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.238 -18.977 4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.748 -18.852 1.591 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.449 -17.885 2.873 1.00 0.00 H new ATOM 748 N PHE A 51 -0.108 -17.999 0.856 1.00 0.00 N ATOM 749 CA PHE A 51 1.002 -17.951 -0.097 1.00 0.00 C ATOM 750 C PHE A 51 1.558 -16.540 -0.236 1.00 0.00 C ATOM 751 O PHE A 51 2.760 -16.312 -0.093 1.00 0.00 O ATOM 752 CB PHE A 51 0.550 -18.455 -1.470 1.00 0.00 C ATOM 753 CG PHE A 51 1.584 -18.274 -2.548 1.00 0.00 C ATOM 754 CD1 PHE A 51 2.759 -19.006 -2.533 1.00 0.00 C ATOM 755 CD2 PHE A 51 1.379 -17.367 -3.577 1.00 0.00 C ATOM 756 CE1 PHE A 51 3.713 -18.834 -3.518 1.00 0.00 C ATOM 757 CE2 PHE A 51 2.327 -17.192 -4.565 1.00 0.00 C ATOM 758 CZ PHE A 51 3.496 -17.928 -4.536 1.00 0.00 C ATOM 0 H PHE A 51 -0.964 -18.408 0.482 1.00 0.00 H new ATOM 0 HA PHE A 51 1.790 -18.597 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.297 -19.513 -1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.360 -17.930 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.932 -19.720 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.466 -16.790 -3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.627 -19.408 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.155 -16.481 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.239 -17.794 -5.309 1.00 0.00 H new ATOM 768 N TYR A 52 0.671 -15.598 -0.515 1.00 0.00 N ATOM 769 CA TYR A 52 1.062 -14.222 -0.724 1.00 0.00 C ATOM 770 C TYR A 52 1.659 -13.622 0.542 1.00 0.00 C ATOM 771 O TYR A 52 2.656 -12.904 0.478 1.00 0.00 O ATOM 772 CB TYR A 52 -0.137 -13.411 -1.207 1.00 0.00 C ATOM 773 CG TYR A 52 -0.567 -13.770 -2.615 1.00 0.00 C ATOM 774 CD1 TYR A 52 0.045 -13.182 -3.715 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.568 -14.705 -2.843 1.00 0.00 C ATOM 776 CE1 TYR A 52 -0.334 -13.511 -5.004 1.00 0.00 C ATOM 777 CE2 TYR A 52 -1.949 -15.042 -4.129 1.00 0.00 C ATOM 778 CZ TYR A 52 -1.328 -14.442 -5.206 1.00 0.00 C ATOM 779 OH TYR A 52 -1.701 -14.779 -6.488 1.00 0.00 O ATOM 0 H TYR A 52 -0.331 -15.768 -0.601 1.00 0.00 H new ATOM 0 HA TYR A 52 1.835 -14.191 -1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.973 -13.569 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.110 -12.350 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.830 -12.456 -3.561 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.057 -15.176 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.148 -13.040 -5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.729 -15.771 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.414 -15.450 -6.455 1.00 0.00 H new ATOM 789 N LYS A 53 1.065 -13.932 1.692 1.00 0.00 N ATOM 790 CA LYS A 53 1.594 -13.469 2.971 1.00 0.00 C ATOM 791 C LYS A 53 3.021 -13.973 3.185 1.00 0.00 C ATOM 792 O LYS A 53 3.910 -13.204 3.548 1.00 0.00 O ATOM 793 CB LYS A 53 0.698 -13.926 4.125 1.00 0.00 C ATOM 794 CG LYS A 53 -0.648 -13.220 4.167 1.00 0.00 C ATOM 795 CD LYS A 53 -1.476 -13.671 5.359 1.00 0.00 C ATOM 796 CE LYS A 53 -2.734 -12.837 5.514 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.587 -13.338 6.622 1.00 0.00 N ATOM 0 H LYS A 53 0.221 -14.500 1.764 1.00 0.00 H new ATOM 0 HA LYS A 53 1.610 -12.379 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.533 -15.000 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.218 -13.755 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.493 -12.142 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.195 -13.421 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.747 -14.720 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.877 -13.599 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.462 -11.799 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.300 -12.853 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.483 -12.811 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.782 -14.350 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.093 -13.205 7.528 1.00 0.00 H new ATOM 811 N GLU A 54 3.232 -15.260 2.939 1.00 0.00 N ATOM 812 CA GLU A 54 4.546 -15.874 3.097 1.00 0.00 C ATOM 813 C GLU A 54 5.568 -15.271 2.139 1.00 0.00 C ATOM 814 O GLU A 54 6.706 -15.008 2.520 1.00 0.00 O ATOM 815 CB GLU A 54 4.452 -17.380 2.866 1.00 0.00 C ATOM 816 CG GLU A 54 3.730 -18.117 3.979 1.00 0.00 C ATOM 817 CD GLU A 54 4.482 -18.049 5.293 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.404 -18.868 5.494 1.00 0.00 O ATOM 819 OE2 GLU A 54 4.163 -17.175 6.126 1.00 0.00 O ATOM 0 H GLU A 54 2.505 -15.903 2.627 1.00 0.00 H new ATOM 0 HA GLU A 54 4.881 -15.679 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.936 -17.564 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.458 -17.788 2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.735 -17.691 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.595 -19.160 3.693 1.00 0.00 H new ATOM 826 N ARG A 55 5.160 -15.065 0.893 1.00 0.00 N ATOM 827 CA ARG A 55 6.037 -14.466 -0.102 1.00 0.00 C ATOM 828 C ARG A 55 6.418 -13.040 0.268 1.00 0.00 C ATOM 829 O ARG A 55 7.579 -12.652 0.139 1.00 0.00 O ATOM 830 CB ARG A 55 5.391 -14.507 -1.488 1.00 0.00 C ATOM 831 CG ARG A 55 5.917 -15.644 -2.341 1.00 0.00 C ATOM 832 CD ARG A 55 7.376 -15.416 -2.699 1.00 0.00 C ATOM 833 NE ARG A 55 8.041 -16.631 -3.158 1.00 0.00 N ATOM 834 CZ ARG A 55 9.361 -16.749 -3.262 1.00 0.00 C ATOM 835 NH1 ARG A 55 10.148 -15.710 -3.013 1.00 0.00 N ATOM 836 NH2 ARG A 55 9.895 -17.901 -3.636 1.00 0.00 N ATOM 0 H ARG A 55 4.230 -15.304 0.549 1.00 0.00 H new ATOM 0 HA ARG A 55 6.953 -15.056 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.311 -14.609 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.572 -13.561 -1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.812 -16.587 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.323 -15.728 -3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.440 -14.656 -3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.903 -15.026 -1.828 1.00 0.00 H new ATOM 0 HE ARG A 55 7.463 -17.432 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.741 -14.815 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.160 -15.806 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.294 -18.698 -3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.908 -17.992 -3.716 1.00 0.00 H new ATOM 850 N LEU A 56 5.444 -12.270 0.735 1.00 0.00 N ATOM 851 CA LEU A 56 5.691 -10.900 1.169 1.00 0.00 C ATOM 852 C LEU A 56 6.684 -10.873 2.323 1.00 0.00 C ATOM 853 O LEU A 56 7.644 -10.107 2.311 1.00 0.00 O ATOM 854 CB LEU A 56 4.382 -10.230 1.587 1.00 0.00 C ATOM 855 CG LEU A 56 3.396 -9.957 0.445 1.00 0.00 C ATOM 856 CD1 LEU A 56 2.079 -9.430 0.988 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.992 -8.970 -0.549 1.00 0.00 C ATOM 0 H LEU A 56 4.473 -12.571 0.823 1.00 0.00 H new ATOM 0 HA LEU A 56 6.117 -10.348 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.890 -10.860 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.616 -9.285 2.077 1.00 0.00 H new ATOM 0 HG LEU A 56 3.203 -10.897 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.394 -9.243 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.642 -10.167 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.255 -8.501 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.279 -8.788 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.214 -8.031 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.911 -9.383 -0.966 1.00 0.00 H new ATOM 869 N LEU A 57 6.458 -11.736 3.304 1.00 0.00 N ATOM 870 CA LEU A 57 7.307 -11.828 4.475 1.00 0.00 C ATOM 871 C LEU A 57 8.731 -12.260 4.123 1.00 0.00 C ATOM 872 O LEU A 57 9.674 -11.971 4.857 1.00 0.00 O ATOM 873 CB LEU A 57 6.686 -12.820 5.450 1.00 0.00 C ATOM 874 CG LEU A 57 5.433 -12.329 6.182 1.00 0.00 C ATOM 875 CD1 LEU A 57 4.890 -13.419 7.094 1.00 0.00 C ATOM 876 CD2 LEU A 57 5.744 -11.071 6.982 1.00 0.00 C ATOM 0 H LEU A 57 5.677 -12.392 3.306 1.00 0.00 H new ATOM 0 HA LEU A 57 7.378 -10.839 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.434 -13.729 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.436 -13.091 6.193 1.00 0.00 H new ATOM 0 HG LEU A 57 4.671 -12.087 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.000 -13.054 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.633 -14.296 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.648 -13.689 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.844 -10.735 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.521 -11.289 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.091 -10.288 6.308 1.00 0.00 H new ATOM 888 N ALA A 58 8.886 -12.940 3.001 1.00 0.00 N ATOM 889 CA ALA A 58 10.190 -13.466 2.609 1.00 0.00 C ATOM 890 C ALA A 58 10.888 -12.562 1.596 1.00 0.00 C ATOM 891 O ALA A 58 11.964 -12.899 1.095 1.00 0.00 O ATOM 892 CB ALA A 58 10.032 -14.867 2.036 1.00 0.00 C ATOM 0 H ALA A 58 8.132 -13.143 2.345 1.00 0.00 H new ATOM 0 HA ALA A 58 10.815 -13.503 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.009 -15.254 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.592 -15.521 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.381 -14.831 1.162 1.00 0.00 H new ATOM 898 N LEU A 59 10.294 -11.410 1.312 1.00 0.00 N ATOM 899 CA LEU A 59 10.824 -10.498 0.332 1.00 0.00 C ATOM 900 C LEU A 59 12.078 -9.792 0.832 1.00 0.00 C ATOM 901 O LEU A 59 12.306 -9.678 2.036 1.00 0.00 O ATOM 902 CB LEU A 59 9.756 -9.469 -0.002 1.00 0.00 C ATOM 903 CG LEU A 59 8.675 -9.921 -0.987 1.00 0.00 C ATOM 904 CD1 LEU A 59 7.689 -8.792 -1.235 1.00 0.00 C ATOM 905 CD2 LEU A 59 9.302 -10.379 -2.295 1.00 0.00 C ATOM 0 H LEU A 59 9.434 -11.091 1.758 1.00 0.00 H new ATOM 0 HA LEU A 59 11.102 -11.068 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.271 -9.164 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.246 -8.585 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 59 8.138 -10.764 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.924 -9.124 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.218 -8.507 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.216 -7.934 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.518 -10.697 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.862 -9.555 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.976 -11.214 -2.103 1.00 0.00 H new ATOM 917 N ASN A 60 12.887 -9.324 -0.108 1.00 0.00 N ATOM 918 CA ASN A 60 14.055 -8.510 0.210 1.00 0.00 C ATOM 919 C ASN A 60 13.662 -7.040 0.155 1.00 0.00 C ATOM 920 O ASN A 60 14.497 -6.136 0.118 1.00 0.00 O ATOM 921 CB ASN A 60 15.183 -8.795 -0.781 1.00 0.00 C ATOM 922 CG ASN A 60 16.515 -8.193 -0.359 1.00 0.00 C ATOM 923 OD1 ASN A 60 17.306 -7.759 -1.196 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.791 -8.192 0.939 1.00 0.00 N ATOM 0 H ASN A 60 12.755 -9.495 -1.105 1.00 0.00 H new ATOM 0 HA ASN A 60 14.411 -8.755 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.297 -9.873 -0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.907 -8.402 -1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.682 -7.823 1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.112 -8.560 1.605 1.00 0.00 H new ATOM 931 N ASP A 61 12.365 -6.822 0.161 1.00 0.00 N ATOM 932 CA ASP A 61 11.803 -5.490 0.083 1.00 0.00 C ATOM 933 C ASP A 61 11.854 -4.824 1.450 1.00 0.00 C ATOM 934 O ASP A 61 11.328 -5.348 2.429 1.00 0.00 O ATOM 935 CB ASP A 61 10.370 -5.560 -0.430 1.00 0.00 C ATOM 936 CG ASP A 61 9.797 -4.194 -0.722 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.973 -3.702 -1.852 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.176 -3.602 0.172 1.00 0.00 O ATOM 0 H ASP A 61 11.668 -7.565 0.220 1.00 0.00 H new ATOM 0 HA ASP A 61 12.390 -4.892 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.340 -6.165 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.746 -6.062 0.309 1.00 0.00 H new ATOM 943 N SER A 62 12.508 -3.676 1.504 1.00 0.00 N ATOM 944 CA SER A 62 12.730 -2.964 2.760 1.00 0.00 C ATOM 945 C SER A 62 11.461 -2.272 3.262 1.00 0.00 C ATOM 946 O SER A 62 11.411 -1.798 4.397 1.00 0.00 O ATOM 947 CB SER A 62 13.841 -1.939 2.562 1.00 0.00 C ATOM 948 OG SER A 62 14.977 -2.531 1.941 1.00 0.00 O ATOM 0 H SER A 62 12.900 -3.210 0.686 1.00 0.00 H new ATOM 0 HA SER A 62 13.019 -3.693 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.475 -1.115 1.949 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.127 -1.517 3.525 1.00 0.00 H new ATOM 0 HG SER A 62 15.675 -1.854 1.823 1.00 0.00 H new ATOM 954 N ARG A 63 10.442 -2.216 2.419 1.00 0.00 N ATOM 955 CA ARG A 63 9.172 -1.606 2.788 1.00 0.00 C ATOM 956 C ARG A 63 8.296 -2.630 3.512 1.00 0.00 C ATOM 957 O ARG A 63 7.368 -2.275 4.243 1.00 0.00 O ATOM 958 CB ARG A 63 8.493 -1.059 1.526 1.00 0.00 C ATOM 959 CG ARG A 63 7.002 -1.337 1.421 1.00 0.00 C ATOM 960 CD ARG A 63 6.513 -1.130 -0.001 1.00 0.00 C ATOM 961 NE ARG A 63 7.290 -1.924 -0.954 1.00 0.00 N ATOM 962 CZ ARG A 63 7.173 -1.836 -2.279 1.00 0.00 C ATOM 963 NH1 ARG A 63 6.305 -0.994 -2.822 1.00 0.00 N ATOM 964 NH2 ARG A 63 7.937 -2.586 -3.062 1.00 0.00 N ATOM 0 H ARG A 63 10.469 -2.587 1.469 1.00 0.00 H new ATOM 0 HA ARG A 63 9.335 -0.774 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.649 0.019 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.988 -1.484 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.795 -2.360 1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.456 -0.679 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.460 -1.405 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.584 -0.074 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 63 7.966 -2.589 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.721 -0.408 -2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.221 -0.932 -3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.613 -3.229 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.848 -2.520 -4.076 1.00 0.00 H new ATOM 978 N ILE A 64 8.614 -3.903 3.315 1.00 0.00 N ATOM 979 CA ILE A 64 7.911 -4.987 3.981 1.00 0.00 C ATOM 980 C ILE A 64 8.435 -5.152 5.407 1.00 0.00 C ATOM 981 O ILE A 64 9.643 -5.263 5.625 1.00 0.00 O ATOM 982 CB ILE A 64 8.080 -6.329 3.231 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.665 -6.195 1.760 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.270 -7.424 3.913 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.218 -5.799 1.557 1.00 0.00 C ATOM 0 H ILE A 64 9.362 -4.210 2.693 1.00 0.00 H new ATOM 0 HA ILE A 64 6.853 -4.727 3.992 1.00 0.00 H new ATOM 0 HB ILE A 64 9.135 -6.602 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.304 -5.453 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.844 -7.144 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.399 -8.362 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.615 -7.546 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.215 -7.149 3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.007 -5.726 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.569 -6.551 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.035 -4.834 2.030 1.00 0.00 H new ATOM 997 N THR A 65 7.531 -5.153 6.374 1.00 0.00 N ATOM 998 CA THR A 65 7.908 -5.371 7.761 1.00 0.00 C ATOM 999 C THR A 65 7.616 -6.809 8.167 1.00 0.00 C ATOM 1000 O THR A 65 6.734 -7.454 7.595 1.00 0.00 O ATOM 1001 CB THR A 65 7.158 -4.410 8.698 1.00 0.00 C ATOM 1002 OG1 THR A 65 5.752 -4.486 8.438 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.640 -2.978 8.510 1.00 0.00 C ATOM 0 H THR A 65 6.533 -5.006 6.224 1.00 0.00 H new ATOM 0 HA THR A 65 8.977 -5.178 7.850 1.00 0.00 H new ATOM 0 HB THR A 65 7.358 -4.706 9.728 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.525 -3.892 7.692 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.094 -2.319 9.184 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.706 -2.921 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.466 -2.668 7.480 1.00 0.00 H new ATOM 1011 N SER A 66 8.342 -7.304 9.160 1.00 0.00 N ATOM 1012 CA SER A 66 8.175 -8.675 9.621 1.00 0.00 C ATOM 1013 C SER A 66 6.832 -8.847 10.326 1.00 0.00 C ATOM 1014 O SER A 66 6.315 -9.959 10.442 1.00 0.00 O ATOM 1015 CB SER A 66 9.319 -9.045 10.560 1.00 0.00 C ATOM 1016 OG SER A 66 10.573 -8.723 9.980 1.00 0.00 O ATOM 0 H SER A 66 9.054 -6.775 9.663 1.00 0.00 H new ATOM 0 HA SER A 66 8.192 -9.340 8.758 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.204 -8.516 11.506 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.280 -10.111 10.785 1.00 0.00 H new ATOM 0 HG SER A 66 11.292 -8.967 10.599 1.00 0.00 H new ATOM 1022 N ASP A 67 6.269 -7.732 10.782 1.00 0.00 N ATOM 1023 CA ASP A 67 4.964 -7.734 11.437 1.00 0.00 C ATOM 1024 C ASP A 67 3.852 -7.921 10.418 1.00 0.00 C ATOM 1025 O ASP A 67 2.710 -8.220 10.774 1.00 0.00 O ATOM 1026 CB ASP A 67 4.731 -6.425 12.195 1.00 0.00 C ATOM 1027 CG ASP A 67 5.679 -6.228 13.361 1.00 0.00 C ATOM 1028 OD1 ASP A 67 5.387 -6.738 14.462 1.00 0.00 O ATOM 1029 OD2 ASP A 67 6.713 -5.549 13.184 1.00 0.00 O ATOM 0 H ASP A 67 6.699 -6.810 10.709 1.00 0.00 H new ATOM 0 HA ASP A 67 4.953 -8.564 12.143 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.839 -5.589 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.705 -6.404 12.563 1.00 0.00 H new ATOM 1034 N GLY A 68 4.192 -7.743 9.150 1.00 0.00 N ATOM 1035 CA GLY A 68 3.202 -7.825 8.103 1.00 0.00 C ATOM 1036 C GLY A 68 2.427 -6.535 7.960 1.00 0.00 C ATOM 1037 O GLY A 68 1.207 -6.547 7.826 1.00 0.00 O ATOM 0 H GLY A 68 5.139 -7.543 8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.691 -8.062 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.512 -8.641 8.318 1.00 0.00 H new ATOM 1041 N VAL A 69 3.131 -5.415 8.003 1.00 0.00 N ATOM 1042 CA VAL A 69 2.494 -4.113 7.873 1.00 0.00 C ATOM 1043 C VAL A 69 3.081 -3.337 6.698 1.00 0.00 C ATOM 1044 O VAL A 69 4.301 -3.197 6.579 1.00 0.00 O ATOM 1045 CB VAL A 69 2.653 -3.272 9.154 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.880 -1.971 9.042 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.207 -4.053 10.380 1.00 0.00 C ATOM 0 H VAL A 69 4.143 -5.381 8.127 1.00 0.00 H new ATOM 0 HA VAL A 69 1.433 -4.296 7.700 1.00 0.00 H new ATOM 0 HB VAL A 69 3.711 -3.036 9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.006 -1.393 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.255 -1.396 8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.822 -2.188 8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.330 -3.435 11.270 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.158 -4.330 10.273 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.812 -4.954 10.477 1.00 0.00 H new ATOM 1057 N ILE A 70 2.214 -2.845 5.834 1.00 0.00 N ATOM 1058 CA ILE A 70 2.626 -2.045 4.691 1.00 0.00 C ATOM 1059 C ILE A 70 2.465 -0.563 5.005 1.00 0.00 C ATOM 1060 O ILE A 70 1.348 -0.089 5.176 1.00 0.00 O ATOM 1061 CB ILE A 70 1.782 -2.396 3.444 1.00 0.00 C ATOM 1062 CG1 ILE A 70 1.921 -3.881 3.101 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.175 -1.535 2.252 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.335 -4.297 2.774 1.00 0.00 C ATOM 0 H ILE A 70 1.206 -2.987 5.902 1.00 0.00 H new ATOM 0 HA ILE A 70 3.673 -2.264 4.483 1.00 0.00 H new ATOM 0 HB ILE A 70 0.738 -2.189 3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.562 -4.474 3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.278 -4.111 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.564 -1.805 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.016 -0.484 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.227 -1.698 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.356 -5.362 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.691 -3.730 1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.980 -4.100 3.631 1.00 0.00 H new ATOM 1076 N VAL A 71 3.579 0.157 5.101 1.00 0.00 N ATOM 1077 CA VAL A 71 3.540 1.587 5.415 1.00 0.00 C ATOM 1078 C VAL A 71 4.246 2.404 4.337 1.00 0.00 C ATOM 1079 O VAL A 71 5.450 2.255 4.115 1.00 0.00 O ATOM 1080 CB VAL A 71 4.205 1.900 6.774 1.00 0.00 C ATOM 1081 CG1 VAL A 71 4.003 3.363 7.149 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.677 0.978 7.866 1.00 0.00 C ATOM 0 H VAL A 71 4.517 -0.221 4.967 1.00 0.00 H new ATOM 0 HA VAL A 71 2.486 1.860 5.462 1.00 0.00 H new ATOM 0 HB VAL A 71 5.276 1.721 6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.479 3.562 8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.449 3.999 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.937 3.576 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.162 1.220 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.600 1.111 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.891 -0.058 7.603 1.00 0.00 H new ATOM 1092 N LEU A 72 3.499 3.273 3.679 1.00 0.00 N ATOM 1093 CA LEU A 72 4.055 4.114 2.623 1.00 0.00 C ATOM 1094 C LEU A 72 3.716 5.580 2.851 1.00 0.00 C ATOM 1095 O LEU A 72 2.958 5.926 3.762 1.00 0.00 O ATOM 1096 CB LEU A 72 3.547 3.704 1.232 1.00 0.00 C ATOM 1097 CG LEU A 72 4.246 2.511 0.576 1.00 0.00 C ATOM 1098 CD1 LEU A 72 3.899 1.211 1.278 1.00 0.00 C ATOM 1099 CD2 LEU A 72 3.873 2.432 -0.893 1.00 0.00 C ATOM 0 H LEU A 72 2.505 3.418 3.854 1.00 0.00 H new ATOM 0 HA LEU A 72 5.135 3.975 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.484 3.476 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.641 4.563 0.567 1.00 0.00 H new ATOM 0 HG LEU A 72 5.322 2.660 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.412 0.384 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.213 1.265 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.822 1.049 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.376 1.580 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.794 2.311 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.181 3.348 -1.396 1.00 0.00 H new ATOM 1111 N LYS A 73 4.279 6.426 1.998 1.00 0.00 N ATOM 1112 CA LYS A 73 4.022 7.856 2.015 1.00 0.00 C ATOM 1113 C LYS A 73 3.831 8.329 0.584 1.00 0.00 C ATOM 1114 O LYS A 73 4.780 8.358 -0.203 1.00 0.00 O ATOM 1115 CB LYS A 73 5.185 8.624 2.646 1.00 0.00 C ATOM 1116 CG LYS A 73 5.587 8.138 4.029 1.00 0.00 C ATOM 1117 CD LYS A 73 6.745 8.952 4.584 1.00 0.00 C ATOM 1118 CE LYS A 73 7.093 8.549 6.007 1.00 0.00 C ATOM 1119 NZ LYS A 73 7.645 7.169 6.089 1.00 0.00 N ATOM 0 H LYS A 73 4.931 6.135 1.270 1.00 0.00 H new ATOM 0 HA LYS A 73 3.129 8.044 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.049 8.556 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.915 9.678 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.734 8.208 4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.869 7.086 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.619 8.821 3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.488 10.011 4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.820 9.252 6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.201 8.618 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.929 6.966 7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.919 6.486 5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.473 7.089 5.465 1.00 0.00 H new ATOM 1133 N ALA A 74 2.608 8.677 0.246 1.00 0.00 N ATOM 1134 CA ALA A 74 2.269 9.040 -1.122 1.00 0.00 C ATOM 1135 C ALA A 74 1.988 10.529 -1.250 1.00 0.00 C ATOM 1136 O ALA A 74 0.940 11.012 -0.831 1.00 0.00 O ATOM 1137 CB ALA A 74 1.075 8.229 -1.604 1.00 0.00 C ATOM 0 H ALA A 74 1.826 8.718 0.899 1.00 0.00 H new ATOM 0 HA ALA A 74 3.129 8.810 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.833 8.511 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.318 7.167 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.217 8.427 -0.961 1.00 0.00 H new ATOM 1143 N GLN A 75 2.938 11.254 -1.819 1.00 0.00 N ATOM 1144 CA GLN A 75 2.774 12.680 -2.079 1.00 0.00 C ATOM 1145 C GLN A 75 3.188 13.007 -3.512 1.00 0.00 C ATOM 1146 O GLN A 75 3.579 14.131 -3.821 1.00 0.00 O ATOM 1147 CB GLN A 75 3.582 13.506 -1.071 1.00 0.00 C ATOM 1148 CG GLN A 75 4.920 12.895 -0.666 1.00 0.00 C ATOM 1149 CD GLN A 75 5.880 12.737 -1.827 1.00 0.00 C ATOM 1150 OE1 GLN A 75 5.924 11.693 -2.476 1.00 0.00 O ATOM 1151 NE2 GLN A 75 6.642 13.781 -2.101 1.00 0.00 N ATOM 0 H GLN A 75 3.839 10.877 -2.113 1.00 0.00 H new ATOM 0 HA GLN A 75 1.722 12.940 -1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.764 14.494 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.979 13.650 -0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.382 13.522 0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.744 11.919 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.571 14.627 -1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.301 13.741 -2.878 1.00 0.00 H new ATOM 1160 N GLN A 76 3.071 12.006 -4.373 1.00 0.00 N ATOM 1161 CA GLN A 76 3.462 12.115 -5.775 1.00 0.00 C ATOM 1162 C GLN A 76 2.641 13.175 -6.507 1.00 0.00 C ATOM 1163 O GLN A 76 3.184 14.018 -7.226 1.00 0.00 O ATOM 1164 CB GLN A 76 3.280 10.751 -6.446 1.00 0.00 C ATOM 1165 CG GLN A 76 3.458 10.760 -7.955 1.00 0.00 C ATOM 1166 CD GLN A 76 3.170 9.404 -8.568 1.00 0.00 C ATOM 1167 OE1 GLN A 76 4.070 8.582 -8.738 1.00 0.00 O ATOM 1168 NE2 GLN A 76 1.910 9.159 -8.892 1.00 0.00 N ATOM 0 H GLN A 76 2.701 11.090 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 76 4.507 12.422 -5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.994 10.050 -6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.283 10.376 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.794 11.505 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.478 11.059 -8.198 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.195 9.869 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.654 8.260 -9.300 1.00 0.00 H new ATOM 1177 N TYR A 77 1.332 13.127 -6.328 1.00 0.00 N ATOM 1178 CA TYR A 77 0.438 14.038 -6.999 1.00 0.00 C ATOM 1179 C TYR A 77 0.105 15.223 -6.113 1.00 0.00 C ATOM 1180 O TYR A 77 0.310 15.184 -4.898 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.841 13.309 -7.381 1.00 0.00 C ATOM 1182 CG TYR A 77 -1.038 13.138 -8.869 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -1.697 14.104 -9.617 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -0.569 12.006 -9.523 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -1.889 13.945 -10.975 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -0.757 11.838 -10.882 1.00 0.00 C ATOM 1187 CZ TYR A 77 -1.417 12.812 -11.603 1.00 0.00 C ATOM 1188 OH TYR A 77 -1.609 12.644 -12.957 1.00 0.00 O ATOM 0 H TYR A 77 0.867 12.457 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 77 0.933 14.409 -7.896 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.839 12.325 -6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.692 13.855 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.065 14.994 -9.129 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.049 11.245 -8.961 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.406 14.704 -11.543 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.390 10.951 -11.376 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.214 11.793 -13.240 1.00 0.00 H new ATOM 1198 N ARG A 78 -0.410 16.266 -6.741 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.858 17.458 -6.034 1.00 0.00 C ATOM 1200 C ARG A 78 -2.140 17.165 -5.264 1.00 0.00 C ATOM 1201 O ARG A 78 -2.348 17.648 -4.153 1.00 0.00 O ATOM 1202 CB ARG A 78 -1.101 18.590 -7.032 1.00 0.00 C ATOM 1203 CG ARG A 78 -1.753 19.819 -6.423 1.00 0.00 C ATOM 1204 CD ARG A 78 -2.035 20.872 -7.477 1.00 0.00 C ATOM 1205 NE ARG A 78 -2.721 22.036 -6.920 1.00 0.00 N ATOM 1206 CZ ARG A 78 -3.281 22.997 -7.656 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -3.194 22.963 -8.981 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -3.917 24.002 -7.067 1.00 0.00 N ATOM 0 H ARG A 78 -0.530 16.313 -7.753 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.085 17.760 -5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.149 18.879 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.731 18.219 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.684 19.534 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.102 20.236 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.097 21.188 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.644 20.437 -8.269 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.775 22.119 -5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.697 22.200 -9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.624 23.700 -9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.978 24.040 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.345 24.736 -7.632 1.00 0.00 H new ATOM 1222 N THR A 79 -2.999 16.370 -5.880 1.00 0.00 N ATOM 1223 CA THR A 79 -4.264 15.992 -5.286 1.00 0.00 C ATOM 1224 C THR A 79 -4.136 14.680 -4.514 1.00 0.00 C ATOM 1225 O THR A 79 -3.555 13.708 -5.004 1.00 0.00 O ATOM 1226 CB THR A 79 -5.340 15.865 -6.377 1.00 0.00 C ATOM 1227 OG1 THR A 79 -4.794 15.187 -7.516 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.843 17.238 -6.798 1.00 0.00 C ATOM 0 H THR A 79 -2.837 15.971 -6.804 1.00 0.00 H new ATOM 0 HA THR A 79 -4.559 16.771 -4.583 1.00 0.00 H new ATOM 0 HB THR A 79 -6.176 15.294 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.482 15.106 -8.209 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.604 17.126 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.274 17.748 -5.936 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.012 17.826 -7.189 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.681 14.664 -3.302 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.594 13.498 -2.425 1.00 0.00 C ATOM 1238 C GLN A 80 -5.360 12.311 -3.002 1.00 0.00 C ATOM 1239 O GLN A 80 -4.986 11.158 -2.787 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.138 13.833 -1.032 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.348 14.908 -0.299 1.00 0.00 C ATOM 1242 CD GLN A 80 -4.919 15.211 1.078 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.122 15.106 1.298 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -4.069 15.599 2.013 1.00 0.00 N ATOM 0 H GLN A 80 -5.192 15.451 -2.901 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.542 13.224 -2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.174 14.159 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.144 12.926 -0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.311 14.587 -0.197 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.342 15.820 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.075 15.676 1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.407 15.821 2.949 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.429 12.601 -3.733 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.249 11.565 -4.350 1.00 0.00 C ATOM 1255 C GLU A 81 -6.414 10.700 -5.295 1.00 0.00 C ATOM 1256 O GLU A 81 -6.522 9.472 -5.291 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.413 12.198 -5.112 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.334 11.187 -5.773 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.392 11.840 -6.637 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -10.135 12.048 -7.843 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -11.487 12.145 -6.121 1.00 0.00 O ATOM 0 H GLU A 81 -6.750 13.552 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.645 10.928 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.995 12.811 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.015 12.867 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.741 10.506 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.819 10.586 -5.004 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.564 11.348 -6.081 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.703 10.643 -7.022 1.00 0.00 C ATOM 1270 C GLN A 82 -3.654 9.825 -6.281 1.00 0.00 C ATOM 1271 O GLN A 82 -3.306 8.723 -6.702 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.028 11.634 -7.968 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.992 12.284 -8.939 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.534 11.303 -9.956 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -4.843 10.373 -10.371 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.782 11.494 -10.347 1.00 0.00 N ATOM 0 H GLN A 82 -5.452 12.362 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.320 9.962 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.536 12.409 -7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.250 11.118 -8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.821 12.724 -8.384 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.487 13.099 -9.457 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.318 12.279 -9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.209 10.857 -11.019 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.165 10.361 -5.168 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.186 9.655 -4.349 1.00 0.00 C ATOM 1287 C ASN A 83 -2.797 8.401 -3.746 1.00 0.00 C ATOM 1288 O ASN A 83 -2.114 7.394 -3.569 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.635 10.562 -3.245 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.700 11.622 -3.789 1.00 0.00 C ATOM 1291 OD1 ASN A 83 -0.025 11.408 -4.793 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.633 12.764 -3.125 1.00 0.00 N ATOM 0 H ASN A 83 -3.430 11.280 -4.813 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.358 9.363 -4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.463 11.043 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.106 9.956 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.006 13.503 -3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.209 12.906 -2.295 1.00 0.00 H new ATOM 1299 N ARG A 84 -4.092 8.460 -3.447 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.810 7.298 -2.962 1.00 0.00 C ATOM 1301 C ARG A 84 -4.823 6.211 -4.030 1.00 0.00 C ATOM 1302 O ARG A 84 -4.491 5.058 -3.762 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.248 7.663 -2.599 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.384 8.630 -1.435 1.00 0.00 C ATOM 1305 CD ARG A 84 -7.848 8.922 -1.161 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.038 9.861 -0.057 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.153 9.921 0.674 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.138 9.058 0.464 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -9.281 10.838 1.621 1.00 0.00 N ATOM 0 H ARG A 84 -4.660 9.303 -3.534 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.302 6.932 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.729 8.099 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.791 6.749 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.918 8.207 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.857 9.557 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.308 9.328 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.364 7.989 -0.932 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.279 10.504 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.045 8.344 -0.259 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.988 9.108 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.526 11.502 1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.135 10.881 2.178 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.199 6.599 -5.246 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.291 5.660 -6.359 1.00 0.00 C ATOM 1325 C ALA A 85 -3.922 5.094 -6.718 1.00 0.00 C ATOM 1326 O ALA A 85 -3.784 3.897 -6.965 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.921 6.338 -7.568 1.00 0.00 C ATOM 0 H ALA A 85 -5.445 7.559 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.925 4.829 -6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.984 5.627 -8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.922 6.685 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.309 7.188 -7.868 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.915 5.957 -6.730 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.547 5.550 -7.041 1.00 0.00 C ATOM 1335 C ASP A 86 -1.056 4.526 -6.030 1.00 0.00 C ATOM 1336 O ASP A 86 -0.492 3.493 -6.392 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.627 6.771 -7.026 1.00 0.00 C ATOM 1338 CG ASP A 86 0.769 6.458 -7.524 1.00 0.00 C ATOM 1339 OD1 ASP A 86 0.967 6.396 -8.757 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.676 6.284 -6.689 1.00 0.00 O ATOM 0 H ASP A 86 -3.019 6.951 -6.527 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.534 5.099 -8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.062 7.556 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.567 7.163 -6.011 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.291 4.824 -4.761 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.908 3.931 -3.673 1.00 0.00 C ATOM 1347 C ALA A 87 -1.596 2.570 -3.796 1.00 0.00 C ATOM 1348 O ALA A 87 -0.946 1.531 -3.696 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.233 4.568 -2.330 1.00 0.00 C ATOM 0 H ALA A 87 -1.748 5.683 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 87 0.168 3.767 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.942 3.891 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.686 5.506 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.304 4.764 -2.270 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.908 2.587 -4.018 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.680 1.358 -4.161 1.00 0.00 C ATOM 1357 C LEU A 88 -3.233 0.573 -5.390 1.00 0.00 C ATOM 1358 O LEU A 88 -3.154 -0.656 -5.361 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.175 1.670 -4.255 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.786 2.324 -3.014 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.263 2.607 -3.236 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.591 1.437 -1.797 1.00 0.00 C ATOM 0 H LEU A 88 -3.459 3.441 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.502 0.746 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.339 2.326 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.711 0.743 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.277 3.271 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.682 3.072 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.381 3.280 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.786 1.672 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.031 1.917 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.076 0.476 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.526 1.281 -1.627 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.938 1.298 -6.467 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.442 0.693 -7.698 1.00 0.00 C ATOM 1376 C LEU A 89 -1.132 -0.034 -7.417 1.00 0.00 C ATOM 1377 O LEU A 89 -0.975 -1.210 -7.753 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.249 1.781 -8.772 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.072 1.293 -10.219 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -0.699 0.681 -10.438 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -3.165 0.300 -10.583 1.00 0.00 C ATOM 0 H LEU A 89 -3.035 2.312 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.167 -0.031 -8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.110 2.448 -8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.375 2.375 -8.503 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.154 2.160 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.610 0.347 -11.472 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.069 1.426 -10.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.569 -0.170 -9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.025 -0.035 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.116 -0.557 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.139 0.780 -10.488 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.207 0.667 -6.774 1.00 0.00 N ATOM 1394 CA ARG A 90 1.091 0.123 -6.428 1.00 0.00 C ATOM 1395 C ARG A 90 0.958 -1.093 -5.513 1.00 0.00 C ATOM 1396 O ARG A 90 1.742 -2.034 -5.604 1.00 0.00 O ATOM 1397 CB ARG A 90 1.904 1.219 -5.757 1.00 0.00 C ATOM 1398 CG ARG A 90 3.202 0.753 -5.140 1.00 0.00 C ATOM 1399 CD ARG A 90 3.927 1.914 -4.492 1.00 0.00 C ATOM 1400 NE ARG A 90 4.561 2.794 -5.475 1.00 0.00 N ATOM 1401 CZ ARG A 90 4.023 3.935 -5.919 1.00 0.00 C ATOM 1402 NH1 ARG A 90 2.831 4.324 -5.484 1.00 0.00 N ATOM 1403 NH2 ARG A 90 4.669 4.679 -6.805 1.00 0.00 N ATOM 0 H ARG A 90 -0.341 1.634 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 90 1.597 -0.216 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.124 1.992 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.294 1.682 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.002 -0.019 -4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.834 0.303 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.222 2.491 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.685 1.530 -3.809 1.00 0.00 H new ATOM 0 HE ARG A 90 5.471 2.519 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.323 3.752 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.423 5.195 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.581 4.382 -7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.254 5.548 -7.140 1.00 0.00 H new ATOM 1417 N LEU A 91 -0.039 -1.062 -4.638 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.296 -2.172 -3.729 1.00 0.00 C ATOM 1419 C LEU A 91 -0.645 -3.430 -4.508 1.00 0.00 C ATOM 1420 O LEU A 91 -0.035 -4.483 -4.323 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.446 -1.820 -2.782 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.726 -2.850 -1.685 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.529 -2.984 -0.753 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.975 -2.469 -0.902 1.00 0.00 C ATOM 0 H LEU A 91 -0.684 -0.278 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 91 0.608 -2.356 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.227 -0.862 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.353 -1.685 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.898 -3.816 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.750 -3.721 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.342 -3.306 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.322 -2.021 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.159 -3.212 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.832 -1.492 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.830 -2.430 -1.577 1.00 0.00 H new ATOM 1436 N SER A 92 -1.613 -3.301 -5.401 1.00 0.00 N ATOM 1437 CA SER A 92 -2.047 -4.420 -6.226 1.00 0.00 C ATOM 1438 C SER A 92 -0.917 -4.879 -7.143 1.00 0.00 C ATOM 1439 O SER A 92 -0.702 -6.076 -7.332 1.00 0.00 O ATOM 1440 CB SER A 92 -3.278 -4.027 -7.048 1.00 0.00 C ATOM 1441 OG SER A 92 -3.777 -5.130 -7.786 1.00 0.00 O ATOM 0 H SER A 92 -2.115 -2.430 -5.574 1.00 0.00 H new ATOM 0 HA SER A 92 -2.316 -5.249 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.056 -3.649 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.019 -3.217 -7.730 1.00 0.00 H new ATOM 0 HG SER A 92 -4.563 -4.851 -8.300 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.197 -3.914 -7.693 1.00 0.00 N ATOM 1448 CA GLU A 93 0.943 -4.178 -8.551 1.00 0.00 C ATOM 1449 C GLU A 93 1.993 -4.989 -7.806 1.00 0.00 C ATOM 1450 O GLU A 93 2.496 -5.993 -8.312 1.00 0.00 O ATOM 1451 CB GLU A 93 1.527 -2.841 -8.997 1.00 0.00 C ATOM 1452 CG GLU A 93 2.641 -2.942 -10.020 1.00 0.00 C ATOM 1453 CD GLU A 93 2.189 -3.501 -11.355 1.00 0.00 C ATOM 1454 OE1 GLU A 93 1.018 -3.277 -11.735 1.00 0.00 O ATOM 1455 OE2 GLU A 93 3.004 -4.170 -12.030 1.00 0.00 O ATOM 0 H GLU A 93 -0.389 -2.922 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 93 0.627 -4.756 -9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.725 -2.231 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.905 -2.315 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.070 -1.952 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.434 -3.574 -9.620 1.00 0.00 H new ATOM 1462 N LEU A 94 2.307 -4.550 -6.595 1.00 0.00 N ATOM 1463 CA LEU A 94 3.286 -5.224 -5.756 1.00 0.00 C ATOM 1464 C LEU A 94 2.887 -6.676 -5.515 1.00 0.00 C ATOM 1465 O LEU A 94 3.715 -7.570 -5.624 1.00 0.00 O ATOM 1466 CB LEU A 94 3.431 -4.496 -4.415 1.00 0.00 C ATOM 1467 CG LEU A 94 4.430 -5.119 -3.435 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.833 -5.121 -4.023 1.00 0.00 C ATOM 1469 CD2 LEU A 94 4.403 -4.375 -2.109 1.00 0.00 C ATOM 0 H LEU A 94 1.892 -3.721 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 94 4.244 -5.208 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.733 -3.467 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.453 -4.456 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 94 4.138 -6.154 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.526 -5.568 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.840 -5.700 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.140 -4.097 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.118 -4.829 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.669 -3.331 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.402 -4.431 -1.680 1.00 0.00 H new ATOM 1481 N ILE A 95 1.614 -6.902 -5.210 1.00 0.00 N ATOM 1482 CA ILE A 95 1.112 -8.248 -4.929 1.00 0.00 C ATOM 1483 C ILE A 95 1.367 -9.190 -6.108 1.00 0.00 C ATOM 1484 O ILE A 95 1.895 -10.289 -5.935 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.400 -8.228 -4.595 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.654 -7.387 -3.345 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.920 -9.646 -4.391 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -2.121 -7.244 -2.999 1.00 0.00 C ATOM 0 H ILE A 95 0.906 -6.170 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 95 1.656 -8.617 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.934 -7.781 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.133 -7.839 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.225 -6.396 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.984 -9.613 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.766 -10.224 -5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.382 -10.116 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.225 -6.635 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.645 -6.764 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.551 -8.230 -2.821 1.00 0.00 H new ATOM 1500 N VAL A 96 1.019 -8.736 -7.305 1.00 0.00 N ATOM 1501 CA VAL A 96 1.183 -9.548 -8.507 1.00 0.00 C ATOM 1502 C VAL A 96 2.661 -9.791 -8.807 1.00 0.00 C ATOM 1503 O VAL A 96 3.053 -10.877 -9.232 1.00 0.00 O ATOM 1504 CB VAL A 96 0.518 -8.880 -9.732 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.659 -9.750 -10.973 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.946 -8.576 -9.453 1.00 0.00 C ATOM 0 H VAL A 96 0.622 -7.811 -7.471 1.00 0.00 H new ATOM 0 HA VAL A 96 0.694 -10.503 -8.316 1.00 0.00 H new ATOM 0 HB VAL A 96 1.033 -7.938 -9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.182 -9.256 -11.820 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.716 -9.904 -11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.180 -10.713 -10.798 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.393 -8.106 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.474 -9.503 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.021 -7.901 -8.601 1.00 0.00 H new ATOM 1516 N ASN A 97 3.479 -8.771 -8.576 1.00 0.00 N ATOM 1517 CA ASN A 97 4.906 -8.858 -8.844 1.00 0.00 C ATOM 1518 C ASN A 97 5.632 -9.701 -7.801 1.00 0.00 C ATOM 1519 O ASN A 97 6.464 -10.540 -8.146 1.00 0.00 O ATOM 1520 CB ASN A 97 5.509 -7.455 -8.900 1.00 0.00 C ATOM 1521 CG ASN A 97 5.308 -6.787 -10.248 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.160 -6.881 -11.134 1.00 0.00 O ATOM 1523 ND2 ASN A 97 4.182 -6.113 -10.412 1.00 0.00 N ATOM 0 H ASN A 97 3.175 -7.872 -8.202 1.00 0.00 H new ATOM 0 HA ASN A 97 5.034 -9.351 -9.808 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.058 -6.838 -8.122 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.576 -7.513 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.992 -5.646 -11.298 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.504 -6.061 -9.652 1.00 0.00 H new ATOM 1530 N ALA A 98 5.298 -9.492 -6.531 1.00 0.00 N ATOM 1531 CA ALA A 98 5.986 -10.149 -5.421 1.00 0.00 C ATOM 1532 C ALA A 98 5.816 -11.662 -5.454 1.00 0.00 C ATOM 1533 O ALA A 98 6.674 -12.398 -4.971 1.00 0.00 O ATOM 1534 CB ALA A 98 5.490 -9.598 -4.095 1.00 0.00 C ATOM 0 H ALA A 98 4.547 -8.866 -6.242 1.00 0.00 H new ATOM 0 HA ALA A 98 7.050 -9.937 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.010 -10.096 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.685 -8.526 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.418 -9.776 -4.005 1.00 0.00 H new ATOM 1540 N ALA A 99 4.708 -12.120 -6.023 1.00 0.00 N ATOM 1541 CA ALA A 99 4.447 -13.551 -6.143 1.00 0.00 C ATOM 1542 C ALA A 99 5.466 -14.211 -7.067 1.00 0.00 C ATOM 1543 O ALA A 99 5.770 -15.395 -6.933 1.00 0.00 O ATOM 1544 CB ALA A 99 3.031 -13.794 -6.649 1.00 0.00 C ATOM 0 H ALA A 99 3.976 -11.523 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 99 4.543 -14.000 -5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.853 -14.866 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.315 -13.361 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.909 -13.329 -7.627 1.00 0.00 H new ATOM 1550 N LYS A 100 5.996 -13.432 -8.004 1.00 0.00 N ATOM 1551 CA LYS A 100 6.966 -13.940 -8.961 1.00 0.00 C ATOM 1552 C LYS A 100 8.394 -13.653 -8.508 1.00 0.00 C ATOM 1553 O LYS A 100 9.350 -14.284 -8.966 1.00 0.00 O ATOM 1554 CB LYS A 100 6.715 -13.324 -10.336 1.00 0.00 C ATOM 1555 CG LYS A 100 5.320 -13.595 -10.878 1.00 0.00 C ATOM 1556 CD LYS A 100 5.124 -12.982 -12.252 1.00 0.00 C ATOM 1557 CE LYS A 100 3.707 -13.197 -12.761 1.00 0.00 C ATOM 1558 NZ LYS A 100 2.700 -12.521 -11.902 1.00 0.00 N ATOM 0 H LYS A 100 5.768 -12.445 -8.119 1.00 0.00 H new ATOM 0 HA LYS A 100 6.845 -15.021 -9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.870 -12.247 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.451 -13.713 -11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.153 -14.671 -10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.577 -13.191 -10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.338 -11.914 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.834 -13.422 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.626 -12.819 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.493 -14.265 -12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.071 -11.942 -12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.138 -13.236 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.185 -11.912 -11.213 1.00 0.00 H new ATOM 1572 N LEU A 101 8.528 -12.693 -7.613 1.00 0.00 N ATOM 1573 CA LEU A 101 9.827 -12.294 -7.100 1.00 0.00 C ATOM 1574 C LEU A 101 10.341 -13.301 -6.078 1.00 0.00 C ATOM 1575 O LEU A 101 9.751 -13.477 -5.011 1.00 0.00 O ATOM 1576 CB LEU A 101 9.735 -10.907 -6.462 1.00 0.00 C ATOM 1577 CG LEU A 101 9.452 -9.756 -7.428 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.355 -8.442 -6.671 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.537 -9.678 -8.492 1.00 0.00 C ATOM 0 H LEU A 101 7.745 -12.169 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 101 10.528 -12.262 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.950 -10.925 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.672 -10.702 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 101 8.498 -9.943 -7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.153 -7.632 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.547 -8.501 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.295 -8.249 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.321 -8.854 -9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.503 -9.512 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.565 -10.613 -9.052 1.00 0.00 H new