USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 989 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 105 SER OG : rot 95:sc= 0.322 USER MOD Set 1.2: A 112 THR OG1 : rot 73:sc= 0.201 USER MOD Set 2.1: A 102 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Set 2.2: A 103 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 3.1: A 36 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 3.2: A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 30 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.8!) USER MOD Single : A 1 GLN : amide:sc= -0.862 X(o=-0.86,f=-1.2) USER MOD Single : A 1 GLN N :NH3+ -153:sc= -0.152 (180deg=-0.911) USER MOD Single : A 2 SER OG : rot -59:sc= 0.00201 USER MOD Single : A 4 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.43) USER MOD Single : A 8 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.17) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -58:sc= 1.12 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.593 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= -0.608 (180deg=-0.795) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -112:sc= -2.4 (180deg=-6.98!) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= -0.0426 (180deg=-0.805) USER MOD Single : A 31 CYS SG : rot 110:sc= -0.547 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc=-0.00205 X(o=-0.0021,f=-0.15) USER MOD Single : A 39 GLN : amide:sc= -0.206 K(o=-0.21,f=-2!) USER MOD Single : A 40 SER OG : rot 54:sc= 0.464 USER MOD Single : A 46 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= -1.23 (180deg=-3.09!) USER MOD Single : A 50 ASN : amide:sc= -3.42 X(o=-3.4,f=-3.2) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= -0.045 (180deg=-0.318) USER MOD Single : A 66 GLN : amide:sc= -3.01 K(o=-3,f=-5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 75 MET CE :methyl -167:sc= 0 (180deg=-0.093) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.306 K(o=-0.31,f=-0.97) USER MOD Single : A 83 SER OG : rot 165:sc= -3.11! USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 65:sc= 0.865 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.18) USER MOD Single : A 110 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.01) USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 115 LYS NZ :NH3+ -157:sc= -0.0215 (180deg=-0.336) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.157 11.070 -6.503 1.00 61.42 N ATOM 2 CA GLN A 1 4.843 10.439 -6.497 1.00 34.42 C ATOM 3 C GLN A 1 4.952 8.957 -6.152 1.00 14.14 C ATOM 4 O GLN A 1 5.462 8.162 -6.941 1.00 34.35 O ATOM 5 CB GLN A 1 4.165 10.609 -7.858 1.00 22.13 C ATOM 6 CG GLN A 1 3.531 11.976 -8.055 1.00 4.50 C ATOM 7 CD GLN A 1 4.557 13.063 -8.313 1.00 13.13 C ATOM 8 OE1 GLN A 1 5.475 12.889 -9.115 1.00 35.11 O ATOM 9 NE2 GLN A 1 4.406 14.193 -7.632 1.00 54.32 N ATOM 0 H1 GLN A 1 6.057 12.081 -6.282 1.00 61.42 H new ATOM 0 H2 GLN A 1 6.763 10.618 -5.789 1.00 61.42 H new ATOM 0 H3 GLN A 1 6.590 10.962 -7.442 1.00 61.42 H new ATOM 0 HA GLN A 1 4.237 10.928 -5.734 1.00 34.42 H new ATOM 0 HB2 GLN A 1 4.901 10.442 -8.645 1.00 22.13 H new ATOM 0 HB3 GLN A 1 3.398 9.842 -7.971 1.00 22.13 H new ATOM 0 HG2 GLN A 1 2.835 11.932 -8.893 1.00 4.50 H new ATOM 0 HG3 GLN A 1 2.949 12.233 -7.170 1.00 4.50 H new ATOM 0 HE21 GLN A 1 3.630 14.294 -6.977 1.00 54.32 H new ATOM 0 HE22 GLN A 1 5.066 14.960 -7.764 1.00 54.32 H new ATOM 18 N SER A 2 4.469 8.593 -4.968 1.00 3.44 N ATOM 19 CA SER A 2 4.516 7.208 -4.516 1.00 23.30 C ATOM 20 C SER A 2 3.341 6.897 -3.594 1.00 23.42 C ATOM 21 O SER A 2 3.502 6.238 -2.565 1.00 55.31 O ATOM 22 CB SER A 2 5.835 6.930 -3.792 1.00 21.41 C ATOM 23 OG SER A 2 6.135 5.545 -3.792 1.00 73.51 O ATOM 0 H SER A 2 4.041 9.239 -4.305 1.00 3.44 H new ATOM 0 HA SER A 2 4.448 6.563 -5.392 1.00 23.30 H new ATOM 0 HB2 SER A 2 6.642 7.480 -4.276 1.00 21.41 H new ATOM 0 HB3 SER A 2 5.773 7.292 -2.766 1.00 21.41 H new ATOM 0 HG SER A 2 5.414 5.054 -3.345 1.00 73.51 H new ATOM 29 N LEU A 3 2.160 7.375 -3.969 1.00 62.35 N ATOM 30 CA LEU A 3 0.956 7.149 -3.177 1.00 63.43 C ATOM 31 C LEU A 3 -0.293 7.244 -4.047 1.00 34.34 C ATOM 32 O LEU A 3 -1.188 6.404 -3.958 1.00 71.05 O ATOM 33 CB LEU A 3 0.875 8.163 -2.035 1.00 44.13 C ATOM 34 CG LEU A 3 1.338 9.583 -2.365 1.00 33.12 C ATOM 35 CD1 LEU A 3 0.292 10.599 -1.932 1.00 22.24 C ATOM 36 CD2 LEU A 3 2.676 9.876 -1.701 1.00 75.34 C ATOM 0 H LEU A 3 2.010 7.922 -4.817 1.00 62.35 H new ATOM 0 HA LEU A 3 1.009 6.144 -2.758 1.00 63.43 H new ATOM 0 HB2 LEU A 3 -0.158 8.210 -1.690 1.00 44.13 H new ATOM 0 HB3 LEU A 3 1.473 7.791 -1.203 1.00 44.13 H new ATOM 0 HG LEU A 3 1.466 9.661 -3.445 1.00 33.12 H new ATOM 0 HD11 LEU A 3 0.638 11.604 -2.175 1.00 22.24 H new ATOM 0 HD12 LEU A 3 -0.644 10.402 -2.454 1.00 22.24 H new ATOM 0 HD13 LEU A 3 0.132 10.520 -0.857 1.00 22.24 H new ATOM 0 HD21 LEU A 3 2.990 10.891 -1.947 1.00 75.34 H new ATOM 0 HD22 LEU A 3 2.575 9.779 -0.620 1.00 75.34 H new ATOM 0 HD23 LEU A 3 3.423 9.168 -2.060 1.00 75.34 H new ATOM 48 N ASN A 4 -0.346 8.272 -4.888 1.00 31.53 N ATOM 49 CA ASN A 4 -1.486 8.476 -5.775 1.00 25.52 C ATOM 50 C ASN A 4 -1.114 8.155 -7.220 1.00 34.25 C ATOM 51 O ASN A 4 0.057 8.146 -7.598 1.00 40.54 O ATOM 52 CB ASN A 4 -1.986 9.918 -5.673 1.00 62.11 C ATOM 53 CG ASN A 4 -3.317 10.019 -4.953 1.00 62.24 C ATOM 54 OD1 ASN A 4 -4.304 10.496 -5.514 1.00 4.12 O ATOM 55 ND2 ASN A 4 -3.349 9.569 -3.705 1.00 35.45 N ATOM 0 H ASN A 4 0.387 8.976 -4.974 1.00 31.53 H new ATOM 0 HA ASN A 4 -2.283 7.800 -5.465 1.00 25.52 H new ATOM 0 HB2 ASN A 4 -1.245 10.520 -5.147 1.00 62.11 H new ATOM 0 HB3 ASN A 4 -2.085 10.337 -6.674 1.00 62.11 H new ATOM 0 HD21 ASN A 4 -4.216 9.610 -3.170 1.00 35.45 H new ATOM 0 HD22 ASN A 4 -2.506 9.182 -3.281 1.00 35.45 H new ATOM 62 N PRO A 5 -2.135 7.885 -8.047 1.00 31.13 N ATOM 63 CA PRO A 5 -1.942 7.560 -9.463 1.00 23.21 C ATOM 64 C PRO A 5 -1.473 8.762 -10.275 1.00 55.50 C ATOM 65 O PRO A 5 -0.789 8.612 -11.287 1.00 33.22 O ATOM 66 CB PRO A 5 -3.334 7.116 -9.919 1.00 11.35 C ATOM 67 CG PRO A 5 -4.273 7.796 -8.983 1.00 12.12 C ATOM 68 CD PRO A 5 -3.557 7.877 -7.663 1.00 61.32 C ATOM 0 HA PRO A 5 -1.171 6.803 -9.606 1.00 23.21 H new ATOM 0 HB2 PRO A 5 -3.524 7.408 -10.952 1.00 11.35 H new ATOM 0 HB3 PRO A 5 -3.440 6.032 -9.869 1.00 11.35 H new ATOM 0 HG2 PRO A 5 -4.535 8.790 -9.346 1.00 12.12 H new ATOM 0 HG3 PRO A 5 -5.203 7.236 -8.888 1.00 12.12 H new ATOM 0 HD2 PRO A 5 -3.830 8.777 -7.112 1.00 61.32 H new ATOM 0 HD3 PRO A 5 -3.796 7.027 -7.023 1.00 61.32 H new ATOM 76 N ALA A 6 -1.846 9.956 -9.825 1.00 13.02 N ATOM 77 CA ALA A 6 -1.462 11.185 -10.509 1.00 30.43 C ATOM 78 C ALA A 6 -1.890 11.155 -11.972 1.00 45.11 C ATOM 79 O ALA A 6 -1.171 11.636 -12.849 1.00 61.04 O ATOM 80 CB ALA A 6 0.040 11.402 -10.400 1.00 20.51 C ATOM 0 H ALA A 6 -2.414 10.098 -8.990 1.00 13.02 H new ATOM 0 HA ALA A 6 -1.974 12.017 -10.025 1.00 30.43 H new ATOM 0 HB1 ALA A 6 0.313 12.323 -10.915 1.00 20.51 H new ATOM 0 HB2 ALA A 6 0.322 11.476 -9.350 1.00 20.51 H new ATOM 0 HB3 ALA A 6 0.563 10.562 -10.857 1.00 20.51 H new ATOM 86 N LEU A 7 -3.063 10.587 -12.229 1.00 43.54 N ATOM 87 CA LEU A 7 -3.586 10.495 -13.588 1.00 31.51 C ATOM 88 C LEU A 7 -4.703 11.509 -13.812 1.00 34.54 C ATOM 89 O LEU A 7 -4.776 12.143 -14.863 1.00 51.43 O ATOM 90 CB LEU A 7 -4.103 9.081 -13.861 1.00 23.21 C ATOM 91 CG LEU A 7 -3.158 8.158 -14.632 1.00 0.22 C ATOM 92 CD1 LEU A 7 -2.968 6.846 -13.887 1.00 4.12 C ATOM 93 CD2 LEU A 7 -3.688 7.905 -16.036 1.00 21.44 C ATOM 0 H LEU A 7 -3.670 10.184 -11.515 1.00 43.54 H new ATOM 0 HA LEU A 7 -2.774 10.719 -14.280 1.00 31.51 H new ATOM 0 HB2 LEU A 7 -4.339 8.611 -12.906 1.00 23.21 H new ATOM 0 HB3 LEU A 7 -5.037 9.158 -14.417 1.00 23.21 H new ATOM 0 HG LEU A 7 -2.188 8.649 -14.714 1.00 0.22 H new ATOM 0 HD11 LEU A 7 -2.293 6.202 -14.450 1.00 4.12 H new ATOM 0 HD12 LEU A 7 -2.543 7.045 -12.903 1.00 4.12 H new ATOM 0 HD13 LEU A 7 -3.932 6.350 -13.773 1.00 4.12 H new ATOM 0 HD21 LEU A 7 -3.003 7.246 -16.570 1.00 21.44 H new ATOM 0 HD22 LEU A 7 -4.670 7.435 -15.975 1.00 21.44 H new ATOM 0 HD23 LEU A 7 -3.771 8.852 -16.570 1.00 21.44 H new ATOM 105 N GLN A 8 -5.570 11.656 -12.815 1.00 20.03 N ATOM 106 CA GLN A 8 -6.683 12.594 -12.903 1.00 4.32 C ATOM 107 C GLN A 8 -7.058 13.125 -11.523 1.00 62.20 C ATOM 108 O GLN A 8 -8.205 13.008 -11.094 1.00 53.05 O ATOM 109 CB GLN A 8 -7.894 11.922 -13.551 1.00 12.03 C ATOM 110 CG GLN A 8 -7.749 11.720 -15.050 1.00 44.43 C ATOM 111 CD GLN A 8 -7.634 13.029 -15.807 1.00 10.23 C ATOM 112 OE1 GLN A 8 -6.636 13.284 -16.482 1.00 54.01 O ATOM 113 NE2 GLN A 8 -8.658 13.868 -15.698 1.00 22.14 N ATOM 0 H GLN A 8 -5.523 11.138 -11.938 1.00 20.03 H new ATOM 0 HA GLN A 8 -6.369 13.434 -13.522 1.00 4.32 H new ATOM 0 HB2 GLN A 8 -8.059 10.954 -13.077 1.00 12.03 H new ATOM 0 HB3 GLN A 8 -8.780 12.526 -13.359 1.00 12.03 H new ATOM 0 HG2 GLN A 8 -6.866 11.112 -15.247 1.00 44.43 H new ATOM 0 HG3 GLN A 8 -8.609 11.164 -15.423 1.00 44.43 H new ATOM 0 HE21 GLN A 8 -9.465 13.616 -15.128 1.00 22.14 H new ATOM 0 HE22 GLN A 8 -8.637 14.764 -16.185 1.00 22.14 H new ATOM 122 N GLU A 9 -6.082 13.707 -10.833 1.00 13.41 N ATOM 123 CA GLU A 9 -6.311 14.254 -9.501 1.00 14.42 C ATOM 124 C GLU A 9 -5.996 15.747 -9.464 1.00 55.11 C ATOM 125 O GLU A 9 -5.186 16.203 -8.657 1.00 64.15 O ATOM 126 CB GLU A 9 -5.457 13.516 -8.468 1.00 41.32 C ATOM 127 CG GLU A 9 -3.970 13.541 -8.779 1.00 2.41 C ATOM 128 CD GLU A 9 -3.134 13.985 -7.594 1.00 43.13 C ATOM 129 OE1 GLU A 9 -2.745 13.117 -6.785 1.00 14.14 O ATOM 130 OE2 GLU A 9 -2.868 15.199 -7.477 1.00 10.55 O ATOM 0 H GLU A 9 -5.126 13.812 -11.174 1.00 13.41 H new ATOM 0 HA GLU A 9 -7.364 14.116 -9.256 1.00 14.42 H new ATOM 0 HB2 GLU A 9 -5.622 13.962 -7.487 1.00 41.32 H new ATOM 0 HB3 GLU A 9 -5.790 12.480 -8.407 1.00 41.32 H new ATOM 0 HG2 GLU A 9 -3.651 12.547 -9.092 1.00 2.41 H new ATOM 0 HG3 GLU A 9 -3.789 14.212 -9.618 1.00 2.41 H new ATOM 137 N LYS A 10 -6.643 16.504 -10.344 1.00 34.00 N ATOM 138 CA LYS A 10 -6.435 17.945 -10.414 1.00 4.43 C ATOM 139 C LYS A 10 -7.175 18.657 -9.286 1.00 4.51 C ATOM 140 O LYS A 10 -8.390 18.844 -9.350 1.00 10.44 O ATOM 141 CB LYS A 10 -6.905 18.485 -11.767 1.00 23.44 C ATOM 142 CG LYS A 10 -5.864 19.331 -12.479 1.00 0.33 C ATOM 143 CD LYS A 10 -6.407 20.708 -12.825 1.00 23.24 C ATOM 144 CE LYS A 10 -6.043 21.733 -11.762 1.00 1.41 C ATOM 145 NZ LYS A 10 -4.815 22.494 -12.123 1.00 1.51 N ATOM 0 H LYS A 10 -7.317 16.142 -11.019 1.00 34.00 H new ATOM 0 HA LYS A 10 -5.368 18.138 -10.304 1.00 4.43 H new ATOM 0 HB2 LYS A 10 -7.180 17.647 -12.408 1.00 23.44 H new ATOM 0 HB3 LYS A 10 -7.805 19.081 -11.618 1.00 23.44 H new ATOM 0 HG2 LYS A 10 -4.983 19.435 -11.846 1.00 0.33 H new ATOM 0 HG3 LYS A 10 -5.544 18.825 -13.390 1.00 0.33 H new ATOM 0 HD2 LYS A 10 -6.010 21.025 -13.789 1.00 23.24 H new ATOM 0 HD3 LYS A 10 -7.491 20.658 -12.928 1.00 23.24 H new ATOM 0 HE2 LYS A 10 -6.873 22.426 -11.627 1.00 1.41 H new ATOM 0 HE3 LYS A 10 -5.890 21.228 -10.808 1.00 1.41 H new ATOM 0 HZ1 LYS A 10 -4.600 23.182 -11.374 1.00 1.51 H new ATOM 0 HZ2 LYS A 10 -4.017 21.836 -12.228 1.00 1.51 H new ATOM 0 HZ3 LYS A 10 -4.969 22.996 -13.020 1.00 1.51 H new ATOM 159 N ILE A 11 -6.434 19.053 -8.256 1.00 52.41 N ATOM 160 CA ILE A 11 -7.021 19.747 -7.116 1.00 44.22 C ATOM 161 C ILE A 11 -7.302 21.209 -7.448 1.00 21.14 C ATOM 162 O ILE A 11 -6.587 21.825 -8.238 1.00 55.40 O ATOM 163 CB ILE A 11 -6.101 19.680 -5.882 1.00 72.05 C ATOM 164 CG1 ILE A 11 -6.852 20.149 -4.634 1.00 64.51 C ATOM 165 CG2 ILE A 11 -4.854 20.522 -6.105 1.00 0.42 C ATOM 166 CD1 ILE A 11 -8.053 19.294 -4.295 1.00 25.25 C ATOM 0 H ILE A 11 -5.427 18.905 -8.188 1.00 52.41 H new ATOM 0 HA ILE A 11 -7.959 19.242 -6.887 1.00 44.22 H new ATOM 0 HB ILE A 11 -5.794 18.645 -5.731 1.00 72.05 H new ATOM 0 HG12 ILE A 11 -6.167 20.151 -3.787 1.00 64.51 H new ATOM 0 HG13 ILE A 11 -7.179 21.178 -4.782 1.00 64.51 H new ATOM 0 HG21 ILE A 11 -4.214 20.465 -5.225 1.00 0.42 H new ATOM 0 HG22 ILE A 11 -4.312 20.146 -6.973 1.00 0.42 H new ATOM 0 HG23 ILE A 11 -5.141 21.559 -6.278 1.00 0.42 H new ATOM 0 HD11 ILE A 11 -8.537 19.685 -3.400 1.00 25.25 H new ATOM 0 HD12 ILE A 11 -8.758 19.312 -5.126 1.00 25.25 H new ATOM 0 HD13 ILE A 11 -7.730 18.269 -4.115 1.00 25.25 H new ATOM 178 N SER A 12 -8.347 21.758 -6.836 1.00 44.14 N ATOM 179 CA SER A 12 -8.724 23.147 -7.068 1.00 11.52 C ATOM 180 C SER A 12 -9.202 23.349 -8.503 1.00 21.13 C ATOM 181 O SER A 12 -8.700 22.716 -9.432 1.00 63.11 O ATOM 182 CB SER A 12 -7.542 24.074 -6.777 1.00 12.41 C ATOM 183 OG SER A 12 -6.871 24.436 -7.972 1.00 34.43 O ATOM 0 H SER A 12 -8.947 21.262 -6.176 1.00 44.14 H new ATOM 0 HA SER A 12 -9.544 23.392 -6.393 1.00 11.52 H new ATOM 0 HB2 SER A 12 -7.896 24.971 -6.269 1.00 12.41 H new ATOM 0 HB3 SER A 12 -6.845 23.579 -6.101 1.00 12.41 H new ATOM 0 HG SER A 12 -6.564 23.627 -8.433 1.00 34.43 H new ATOM 189 N THR A 13 -10.177 24.236 -8.676 1.00 61.11 N ATOM 190 CA THR A 13 -10.725 24.521 -9.996 1.00 43.22 C ATOM 191 C THR A 13 -10.688 26.015 -10.296 1.00 4.43 C ATOM 192 O THR A 13 -10.216 26.434 -11.352 1.00 72.25 O ATOM 193 CB THR A 13 -12.176 24.020 -10.123 1.00 24.32 C ATOM 194 OG1 THR A 13 -12.722 23.769 -8.823 1.00 74.03 O ATOM 195 CG2 THR A 13 -12.238 22.750 -10.958 1.00 53.15 C ATOM 0 H THR A 13 -10.603 24.769 -7.918 1.00 61.11 H new ATOM 0 HA THR A 13 -10.102 23.992 -10.717 1.00 43.22 H new ATOM 0 HB THR A 13 -12.762 24.792 -10.621 1.00 24.32 H new ATOM 0 HG1 THR A 13 -13.645 23.452 -8.911 1.00 74.03 H new ATOM 0 HG21 THR A 13 -13.272 22.415 -11.034 1.00 53.15 H new ATOM 0 HG22 THR A 13 -11.847 22.951 -11.956 1.00 53.15 H new ATOM 0 HG23 THR A 13 -11.639 21.973 -10.484 1.00 53.15 H new ATOM 203 N GLU A 14 -11.187 26.815 -9.358 1.00 70.23 N ATOM 204 CA GLU A 14 -11.210 28.263 -9.524 1.00 13.43 C ATOM 205 C GLU A 14 -10.680 28.962 -8.275 1.00 15.22 C ATOM 206 O GLU A 14 -10.705 30.190 -8.179 1.00 65.00 O ATOM 207 CB GLU A 14 -12.632 28.742 -9.825 1.00 32.23 C ATOM 208 CG GLU A 14 -12.766 29.447 -11.164 1.00 13.22 C ATOM 209 CD GLU A 14 -12.382 30.912 -11.093 1.00 0.35 C ATOM 210 OE1 GLU A 14 -12.523 31.511 -10.006 1.00 55.21 O ATOM 211 OE2 GLU A 14 -11.939 31.460 -12.124 1.00 72.32 O ATOM 0 H GLU A 14 -11.580 26.485 -8.477 1.00 70.23 H new ATOM 0 HA GLU A 14 -10.563 28.517 -10.364 1.00 13.43 H new ATOM 0 HB2 GLU A 14 -13.306 27.886 -9.806 1.00 32.23 H new ATOM 0 HB3 GLU A 14 -12.953 29.419 -9.034 1.00 32.23 H new ATOM 0 HG2 GLU A 14 -12.136 28.945 -11.899 1.00 13.22 H new ATOM 0 HG3 GLU A 14 -13.795 29.361 -11.514 1.00 13.22 H new ATOM 218 N LEU A 15 -10.203 28.172 -7.320 1.00 31.13 N ATOM 219 CA LEU A 15 -9.667 28.713 -6.075 1.00 54.34 C ATOM 220 C LEU A 15 -10.791 29.063 -5.105 1.00 52.13 C ATOM 221 O LEU A 15 -10.568 29.193 -3.902 1.00 72.45 O ATOM 222 CB LEU A 15 -8.819 29.954 -6.360 1.00 22.14 C ATOM 223 CG LEU A 15 -7.543 30.099 -5.529 1.00 51.13 C ATOM 224 CD1 LEU A 15 -6.371 30.489 -6.416 1.00 24.31 C ATOM 225 CD2 LEU A 15 -7.741 31.124 -4.422 1.00 41.44 C ATOM 0 H LEU A 15 -10.176 27.154 -7.383 1.00 31.13 H new ATOM 0 HA LEU A 15 -9.040 27.949 -5.615 1.00 54.34 H new ATOM 0 HB2 LEU A 15 -8.543 29.947 -7.415 1.00 22.14 H new ATOM 0 HB3 LEU A 15 -9.437 30.837 -6.198 1.00 22.14 H new ATOM 0 HG LEU A 15 -7.320 29.136 -5.069 1.00 51.13 H new ATOM 0 HD11 LEU A 15 -5.472 30.588 -5.808 1.00 24.31 H new ATOM 0 HD12 LEU A 15 -6.215 29.720 -7.172 1.00 24.31 H new ATOM 0 HD13 LEU A 15 -6.585 31.440 -6.904 1.00 24.31 H new ATOM 0 HD21 LEU A 15 -6.823 31.214 -3.841 1.00 41.44 H new ATOM 0 HD22 LEU A 15 -7.989 32.090 -4.861 1.00 41.44 H new ATOM 0 HD23 LEU A 15 -8.553 30.803 -3.770 1.00 41.44 H new ATOM 237 N ASN A 16 -12.000 29.213 -5.637 1.00 70.33 N ATOM 238 CA ASN A 16 -13.160 29.546 -4.818 1.00 63.20 C ATOM 239 C ASN A 16 -13.941 28.290 -4.445 1.00 31.30 C ATOM 240 O ASN A 16 -14.337 28.112 -3.294 1.00 54.10 O ATOM 241 CB ASN A 16 -14.071 30.525 -5.561 1.00 61.11 C ATOM 242 CG ASN A 16 -13.756 31.971 -5.231 1.00 54.34 C ATOM 243 OD1 ASN A 16 -13.048 32.649 -5.975 1.00 45.23 O ATOM 244 ND2 ASN A 16 -14.284 32.451 -4.111 1.00 21.41 N ATOM 0 H ASN A 16 -12.202 29.109 -6.631 1.00 70.33 H new ATOM 0 HA ASN A 16 -12.804 30.016 -3.902 1.00 63.20 H new ATOM 0 HB2 ASN A 16 -13.968 30.369 -6.635 1.00 61.11 H new ATOM 0 HB3 ASN A 16 -15.110 30.315 -5.307 1.00 61.11 H new ATOM 0 HD21 ASN A 16 -14.108 33.418 -3.838 1.00 21.41 H new ATOM 0 HD22 ASN A 16 -14.865 31.853 -3.524 1.00 21.41 H new ATOM 251 N ASN A 17 -14.158 27.421 -5.427 1.00 70.21 N ATOM 252 CA ASN A 17 -14.892 26.181 -5.202 1.00 61.33 C ATOM 253 C ASN A 17 -14.020 25.155 -4.484 1.00 11.43 C ATOM 254 O ASN A 17 -14.523 24.190 -3.908 1.00 13.52 O ATOM 255 CB ASN A 17 -15.383 25.606 -6.532 1.00 53.25 C ATOM 256 CG ASN A 17 -16.383 26.515 -7.221 1.00 1.41 C ATOM 257 OD1 ASN A 17 -17.577 26.480 -6.925 1.00 54.01 O ATOM 258 ND2 ASN A 17 -15.897 27.336 -8.145 1.00 72.02 N ATOM 0 H ASN A 17 -13.836 27.553 -6.386 1.00 70.21 H new ATOM 0 HA ASN A 17 -15.752 26.407 -4.571 1.00 61.33 H new ATOM 0 HB2 ASN A 17 -14.530 25.443 -7.191 1.00 53.25 H new ATOM 0 HB3 ASN A 17 -15.841 24.633 -6.357 1.00 53.25 H new ATOM 0 HD21 ASN A 17 -16.521 27.972 -8.642 1.00 72.02 H new ATOM 0 HD22 ASN A 17 -14.899 27.331 -8.358 1.00 72.02 H new ATOM 265 N LYS A 18 -12.710 25.371 -4.521 1.00 44.22 N ATOM 266 CA LYS A 18 -11.766 24.468 -3.873 1.00 11.33 C ATOM 267 C LYS A 18 -12.162 24.218 -2.421 1.00 53.31 C ATOM 268 O LYS A 18 -12.017 23.107 -1.912 1.00 13.41 O ATOM 269 CB LYS A 18 -10.351 25.047 -3.934 1.00 24.13 C ATOM 270 CG LYS A 18 -9.259 23.995 -3.842 1.00 30.34 C ATOM 271 CD LYS A 18 -8.901 23.688 -2.397 1.00 71.52 C ATOM 272 CE LYS A 18 -8.313 22.292 -2.253 1.00 54.03 C ATOM 273 NZ LYS A 18 -6.832 22.296 -2.404 1.00 60.24 N ATOM 0 H LYS A 18 -12.277 26.165 -4.993 1.00 44.22 H new ATOM 0 HA LYS A 18 -11.786 23.517 -4.406 1.00 11.33 H new ATOM 0 HB2 LYS A 18 -10.234 25.600 -4.866 1.00 24.13 H new ATOM 0 HB3 LYS A 18 -10.225 25.762 -3.121 1.00 24.13 H new ATOM 0 HG2 LYS A 18 -9.589 23.082 -4.338 1.00 30.34 H new ATOM 0 HG3 LYS A 18 -8.372 24.343 -4.372 1.00 30.34 H new ATOM 0 HD2 LYS A 18 -8.185 24.425 -2.034 1.00 71.52 H new ATOM 0 HD3 LYS A 18 -9.791 23.775 -1.774 1.00 71.52 H new ATOM 0 HE2 LYS A 18 -8.577 21.885 -1.277 1.00 54.03 H new ATOM 0 HE3 LYS A 18 -8.753 21.634 -3.002 1.00 54.03 H new ATOM 0 HZ1 LYS A 18 -6.458 21.351 -2.183 1.00 60.24 H new ATOM 0 HZ2 LYS A 18 -6.583 22.546 -3.382 1.00 60.24 H new ATOM 0 HZ3 LYS A 18 -6.419 22.993 -1.753 1.00 60.24 H new ATOM 287 N GLN A 19 -12.664 25.258 -1.762 1.00 23.22 N ATOM 288 CA GLN A 19 -13.081 25.149 -0.369 1.00 13.10 C ATOM 289 C GLN A 19 -14.244 24.172 -0.224 1.00 4.42 C ATOM 290 O GLN A 19 -14.250 23.329 0.673 1.00 14.02 O ATOM 291 CB GLN A 19 -13.482 26.522 0.174 1.00 72.22 C ATOM 292 CG GLN A 19 -12.304 27.458 0.392 1.00 32.52 C ATOM 293 CD GLN A 19 -12.736 28.879 0.693 1.00 11.14 C ATOM 294 OE1 GLN A 19 -13.544 29.118 1.591 1.00 32.44 O ATOM 295 NE2 GLN A 19 -12.198 29.833 -0.057 1.00 53.25 N ATOM 0 H GLN A 19 -12.792 26.184 -2.170 1.00 23.22 H new ATOM 0 HA GLN A 19 -12.238 24.770 0.208 1.00 13.10 H new ATOM 0 HB2 GLN A 19 -14.182 26.988 -0.520 1.00 72.22 H new ATOM 0 HB3 GLN A 19 -14.010 26.390 1.118 1.00 72.22 H new ATOM 0 HG2 GLN A 19 -11.696 27.085 1.216 1.00 32.52 H new ATOM 0 HG3 GLN A 19 -11.673 27.455 -0.497 1.00 32.52 H new ATOM 0 HE21 GLN A 19 -11.532 29.590 -0.791 1.00 53.25 H new ATOM 0 HE22 GLN A 19 -12.450 30.809 0.100 1.00 53.25 H new ATOM 304 N TYR A 20 -15.225 24.292 -1.111 1.00 42.40 N ATOM 305 CA TYR A 20 -16.394 23.422 -1.080 1.00 31.11 C ATOM 306 C TYR A 20 -16.026 22.000 -1.493 1.00 41.21 C ATOM 307 O TYR A 20 -16.420 21.032 -0.843 1.00 45.33 O ATOM 308 CB TYR A 20 -17.486 23.966 -2.002 1.00 50.43 C ATOM 309 CG TYR A 20 -18.609 24.662 -1.266 1.00 71.35 C ATOM 310 CD1 TYR A 20 -18.347 25.692 -0.372 1.00 52.45 C ATOM 311 CD2 TYR A 20 -19.933 24.288 -1.466 1.00 45.22 C ATOM 312 CE1 TYR A 20 -19.370 26.330 0.302 1.00 33.34 C ATOM 313 CE2 TYR A 20 -20.962 24.921 -0.797 1.00 31.12 C ATOM 314 CZ TYR A 20 -20.676 25.941 0.087 1.00 61.42 C ATOM 315 OH TYR A 20 -21.698 26.574 0.756 1.00 21.01 O ATOM 0 H TYR A 20 -15.234 24.984 -1.861 1.00 42.40 H new ATOM 0 HA TYR A 20 -16.770 23.398 -0.057 1.00 31.11 H new ATOM 0 HB2 TYR A 20 -17.038 24.665 -2.709 1.00 50.43 H new ATOM 0 HB3 TYR A 20 -17.900 23.144 -2.586 1.00 50.43 H new ATOM 0 HD1 TYR A 20 -17.326 25.999 -0.201 1.00 52.45 H new ATOM 0 HD2 TYR A 20 -20.161 23.489 -2.156 1.00 45.22 H new ATOM 0 HE1 TYR A 20 -19.149 27.129 0.994 1.00 33.34 H new ATOM 0 HE2 TYR A 20 -21.985 24.619 -0.965 1.00 31.12 H new ATOM 0 HH TYR A 20 -22.556 26.181 0.491 1.00 21.01 H new ATOM 325 N GLU A 21 -15.267 21.884 -2.579 1.00 34.03 N ATOM 326 CA GLU A 21 -14.846 20.581 -3.079 1.00 62.03 C ATOM 327 C GLU A 21 -13.972 19.862 -2.056 1.00 24.20 C ATOM 328 O GLU A 21 -14.167 18.678 -1.778 1.00 33.11 O ATOM 329 CB GLU A 21 -14.084 20.738 -4.397 1.00 4.23 C ATOM 330 CG GLU A 21 -13.802 19.420 -5.098 1.00 4.01 C ATOM 331 CD GLU A 21 -14.998 18.488 -5.091 1.00 41.22 C ATOM 332 OE1 GLU A 21 -15.958 18.749 -5.845 1.00 52.13 O ATOM 333 OE2 GLU A 21 -14.973 17.497 -4.331 1.00 41.23 O ATOM 0 H GLU A 21 -14.932 22.676 -3.128 1.00 34.03 H new ATOM 0 HA GLU A 21 -15.739 19.981 -3.253 1.00 62.03 H new ATOM 0 HB2 GLU A 21 -14.659 21.379 -5.065 1.00 4.23 H new ATOM 0 HB3 GLU A 21 -13.139 21.246 -4.202 1.00 4.23 H new ATOM 0 HG2 GLU A 21 -13.506 19.617 -6.128 1.00 4.01 H new ATOM 0 HG3 GLU A 21 -12.959 18.928 -4.612 1.00 4.01 H new ATOM 340 N LEU A 22 -13.006 20.585 -1.499 1.00 54.01 N ATOM 341 CA LEU A 22 -12.101 20.017 -0.506 1.00 44.25 C ATOM 342 C LEU A 22 -12.842 19.698 0.788 1.00 71.55 C ATOM 343 O LEU A 22 -12.506 18.742 1.488 1.00 54.20 O ATOM 344 CB LEU A 22 -10.951 20.986 -0.223 1.00 71.20 C ATOM 345 CG LEU A 22 -9.972 20.563 0.873 1.00 51.31 C ATOM 346 CD1 LEU A 22 -8.781 19.833 0.272 1.00 2.41 C ATOM 347 CD2 LEU A 22 -9.511 21.774 1.672 1.00 62.43 C ATOM 0 H LEU A 22 -12.830 21.565 -1.718 1.00 54.01 H new ATOM 0 HA LEU A 22 -11.696 19.089 -0.909 1.00 44.25 H new ATOM 0 HB2 LEU A 22 -10.391 21.133 -1.146 1.00 71.20 H new ATOM 0 HB3 LEU A 22 -11.375 21.952 0.050 1.00 71.20 H new ATOM 0 HG LEU A 22 -10.486 19.880 1.550 1.00 51.31 H new ATOM 0 HD11 LEU A 22 -8.095 19.540 1.067 1.00 2.41 H new ATOM 0 HD12 LEU A 22 -9.127 18.944 -0.255 1.00 2.41 H new ATOM 0 HD13 LEU A 22 -8.266 20.491 -0.427 1.00 2.41 H new ATOM 0 HD21 LEU A 22 -8.815 21.455 2.448 1.00 62.43 H new ATOM 0 HD22 LEU A 22 -9.014 22.481 1.007 1.00 62.43 H new ATOM 0 HD23 LEU A 22 -10.373 22.255 2.134 1.00 62.43 H new ATOM 359 N PHE A 23 -13.853 20.502 1.098 1.00 34.31 N ATOM 360 CA PHE A 23 -14.644 20.304 2.307 1.00 20.14 C ATOM 361 C PHE A 23 -15.261 18.909 2.332 1.00 61.53 C ATOM 362 O PHE A 23 -15.152 18.188 3.323 1.00 30.50 O ATOM 363 CB PHE A 23 -15.745 21.362 2.401 1.00 1.33 C ATOM 364 CG PHE A 23 -15.481 22.410 3.444 1.00 15.53 C ATOM 365 CD1 PHE A 23 -14.232 23.000 3.553 1.00 30.53 C ATOM 366 CD2 PHE A 23 -16.483 22.807 4.315 1.00 13.23 C ATOM 367 CE1 PHE A 23 -13.987 23.964 4.513 1.00 61.43 C ATOM 368 CE2 PHE A 23 -16.244 23.771 5.277 1.00 51.24 C ATOM 369 CZ PHE A 23 -14.994 24.351 5.375 1.00 74.14 C ATOM 0 H PHE A 23 -14.144 21.297 0.529 1.00 34.31 H new ATOM 0 HA PHE A 23 -13.979 20.403 3.165 1.00 20.14 H new ATOM 0 HB2 PHE A 23 -15.856 21.846 1.431 1.00 1.33 H new ATOM 0 HB3 PHE A 23 -16.692 20.871 2.623 1.00 1.33 H new ATOM 0 HD1 PHE A 23 -13.441 22.703 2.880 1.00 30.53 H new ATOM 0 HD2 PHE A 23 -17.462 22.358 4.242 1.00 13.23 H new ATOM 0 HE1 PHE A 23 -13.008 24.414 4.589 1.00 61.43 H new ATOM 0 HE2 PHE A 23 -17.033 24.070 5.951 1.00 51.24 H new ATOM 0 HZ PHE A 23 -14.805 25.106 6.124 1.00 74.14 H new ATOM 379 N MET A 24 -15.909 18.536 1.233 1.00 33.42 N ATOM 380 CA MET A 24 -16.543 17.227 1.128 1.00 74.42 C ATOM 381 C MET A 24 -15.505 16.139 0.871 1.00 33.31 C ATOM 382 O MET A 24 -15.653 15.005 1.327 1.00 33.22 O ATOM 383 CB MET A 24 -17.584 17.229 0.007 1.00 54.23 C ATOM 384 CG MET A 24 -19.016 17.129 0.507 1.00 73.31 C ATOM 385 SD MET A 24 -19.644 18.698 1.135 1.00 74.11 S ATOM 386 CE MET A 24 -19.412 18.475 2.897 1.00 62.12 C ATOM 0 H MET A 24 -16.009 19.121 0.404 1.00 33.42 H new ATOM 0 HA MET A 24 -17.039 17.015 2.075 1.00 74.42 H new ATOM 0 HB2 MET A 24 -17.475 18.143 -0.577 1.00 54.23 H new ATOM 0 HB3 MET A 24 -17.384 16.395 -0.665 1.00 54.23 H new ATOM 0 HG2 MET A 24 -19.657 16.784 -0.305 1.00 73.31 H new ATOM 0 HG3 MET A 24 -19.070 16.379 1.296 1.00 73.31 H new ATOM 0 HE1 MET A 24 -20.384 18.404 3.386 1.00 62.12 H new ATOM 0 HE2 MET A 24 -18.847 17.560 3.077 1.00 62.12 H new ATOM 0 HE3 MET A 24 -18.864 19.325 3.302 1.00 62.12 H new ATOM 396 N LYS A 25 -14.455 16.491 0.138 1.00 62.02 N ATOM 397 CA LYS A 25 -13.391 15.546 -0.179 1.00 61.43 C ATOM 398 C LYS A 25 -12.683 15.078 1.088 1.00 3.22 C ATOM 399 O LYS A 25 -12.468 13.882 1.285 1.00 4.33 O ATOM 400 CB LYS A 25 -12.381 16.185 -1.135 1.00 24.14 C ATOM 401 CG LYS A 25 -11.450 15.183 -1.795 1.00 25.21 C ATOM 402 CD LYS A 25 -10.194 14.960 -0.968 1.00 71.55 C ATOM 403 CE LYS A 25 -9.036 15.805 -1.475 1.00 64.13 C ATOM 404 NZ LYS A 25 -7.720 15.268 -1.029 1.00 73.44 N ATOM 0 H LYS A 25 -14.318 17.425 -0.248 1.00 62.02 H new ATOM 0 HA LYS A 25 -13.841 14.679 -0.663 1.00 61.43 H new ATOM 0 HB2 LYS A 25 -12.921 16.731 -1.909 1.00 24.14 H new ATOM 0 HB3 LYS A 25 -11.786 16.915 -0.586 1.00 24.14 H new ATOM 0 HG2 LYS A 25 -11.971 14.235 -1.930 1.00 25.21 H new ATOM 0 HG3 LYS A 25 -11.175 15.540 -2.788 1.00 25.21 H new ATOM 0 HD2 LYS A 25 -10.395 15.205 0.075 1.00 71.55 H new ATOM 0 HD3 LYS A 25 -9.918 13.906 -1.000 1.00 71.55 H new ATOM 0 HE2 LYS A 25 -9.063 15.842 -2.564 1.00 64.13 H new ATOM 0 HE3 LYS A 25 -9.150 16.829 -1.119 1.00 64.13 H new ATOM 0 HZ1 LYS A 25 -7.272 15.944 -0.377 1.00 73.44 H new ATOM 0 HZ2 LYS A 25 -7.862 14.360 -0.542 1.00 73.44 H new ATOM 0 HZ3 LYS A 25 -7.105 15.125 -1.856 1.00 73.44 H new ATOM 418 N SER A 26 -12.324 16.029 1.945 1.00 62.10 N ATOM 419 CA SER A 26 -11.638 15.714 3.193 1.00 42.23 C ATOM 420 C SER A 26 -12.566 14.974 4.151 1.00 2.12 C ATOM 421 O SER A 26 -12.147 14.052 4.852 1.00 64.11 O ATOM 422 CB SER A 26 -11.121 16.994 3.852 1.00 43.31 C ATOM 423 OG SER A 26 -10.451 16.707 5.068 1.00 54.44 O ATOM 0 H SER A 26 -12.497 17.023 1.798 1.00 62.10 H new ATOM 0 HA SER A 26 -10.793 15.066 2.961 1.00 42.23 H new ATOM 0 HB2 SER A 26 -10.442 17.508 3.172 1.00 43.31 H new ATOM 0 HB3 SER A 26 -11.954 17.670 4.043 1.00 43.31 H new ATOM 0 HG SER A 26 -10.129 17.541 5.469 1.00 54.44 H new ATOM 429 N LEU A 27 -13.829 15.385 4.177 1.00 61.34 N ATOM 430 CA LEU A 27 -14.818 14.762 5.049 1.00 75.42 C ATOM 431 C LEU A 27 -15.100 13.327 4.615 1.00 23.53 C ATOM 432 O LEU A 27 -15.072 12.405 5.431 1.00 31.32 O ATOM 433 CB LEU A 27 -16.116 15.572 5.042 1.00 42.13 C ATOM 434 CG LEU A 27 -16.101 16.869 5.851 1.00 13.14 C ATOM 435 CD1 LEU A 27 -17.294 17.739 5.487 1.00 12.20 C ATOM 436 CD2 LEU A 27 -16.095 16.567 7.343 1.00 73.32 C ATOM 0 H LEU A 27 -14.192 16.147 3.604 1.00 61.34 H new ATOM 0 HA LEU A 27 -14.413 14.744 6.061 1.00 75.42 H new ATOM 0 HB2 LEU A 27 -16.364 15.815 4.009 1.00 42.13 H new ATOM 0 HB3 LEU A 27 -16.918 14.939 5.422 1.00 42.13 H new ATOM 0 HG LEU A 27 -15.190 17.416 5.607 1.00 13.14 H new ATOM 0 HD11 LEU A 27 -17.267 18.658 6.073 1.00 12.20 H new ATOM 0 HD12 LEU A 27 -17.255 17.984 4.426 1.00 12.20 H new ATOM 0 HD13 LEU A 27 -18.217 17.200 5.701 1.00 12.20 H new ATOM 0 HD21 LEU A 27 -16.084 17.502 7.903 1.00 73.32 H new ATOM 0 HD22 LEU A 27 -16.988 15.998 7.603 1.00 73.32 H new ATOM 0 HD23 LEU A 27 -15.208 15.984 7.593 1.00 73.32 H new ATOM 448 N ILE A 28 -15.368 13.145 3.327 1.00 41.04 N ATOM 449 CA ILE A 28 -15.650 11.822 2.785 1.00 75.23 C ATOM 450 C ILE A 28 -14.451 10.894 2.947 1.00 73.23 C ATOM 451 O ILE A 28 -14.591 9.756 3.393 1.00 73.43 O ATOM 452 CB ILE A 28 -16.032 11.894 1.294 1.00 32.53 C ATOM 453 CG1 ILE A 28 -17.352 12.647 1.119 1.00 11.42 C ATOM 454 CG2 ILE A 28 -16.133 10.494 0.705 1.00 2.44 C ATOM 455 CD1 ILE A 28 -18.569 11.830 1.492 1.00 21.04 C ATOM 0 H ILE A 28 -15.396 13.897 2.639 1.00 41.04 H new ATOM 0 HA ILE A 28 -16.493 11.423 3.349 1.00 75.23 H new ATOM 0 HB ILE A 28 -15.252 12.437 0.760 1.00 32.53 H new ATOM 0 HG12 ILE A 28 -17.330 13.550 1.730 1.00 11.42 H new ATOM 0 HG13 ILE A 28 -17.443 12.967 0.081 1.00 11.42 H new ATOM 0 HG21 ILE A 28 -16.404 10.561 -0.349 1.00 2.44 H new ATOM 0 HG22 ILE A 28 -15.172 9.989 0.801 1.00 2.44 H new ATOM 0 HG23 ILE A 28 -16.896 9.928 1.240 1.00 2.44 H new ATOM 0 HD11 ILE A 28 -19.468 12.428 1.343 1.00 21.04 H new ATOM 0 HD12 ILE A 28 -18.616 10.940 0.864 1.00 21.04 H new ATOM 0 HD13 ILE A 28 -18.501 11.532 2.538 1.00 21.04 H new ATOM 467 N GLU A 29 -13.273 11.390 2.583 1.00 62.43 N ATOM 468 CA GLU A 29 -12.049 10.604 2.689 1.00 3.30 C ATOM 469 C GLU A 29 -11.725 10.295 4.148 1.00 14.51 C ATOM 470 O GLU A 29 -11.197 9.231 4.466 1.00 42.03 O ATOM 471 CB GLU A 29 -10.880 11.351 2.043 1.00 23.11 C ATOM 472 CG GLU A 29 -10.789 11.155 0.539 1.00 22.11 C ATOM 473 CD GLU A 29 -12.139 11.248 -0.144 1.00 34.30 C ATOM 474 OE1 GLU A 29 -12.918 10.276 -0.055 1.00 31.22 O ATOM 475 OE2 GLU A 29 -12.417 12.293 -0.768 1.00 13.42 O ATOM 0 H GLU A 29 -13.140 12.331 2.213 1.00 62.43 H new ATOM 0 HA GLU A 29 -12.205 9.663 2.162 1.00 3.30 H new ATOM 0 HB2 GLU A 29 -10.977 12.415 2.257 1.00 23.11 H new ATOM 0 HB3 GLU A 29 -9.949 11.018 2.501 1.00 23.11 H new ATOM 0 HG2 GLU A 29 -10.121 11.906 0.118 1.00 22.11 H new ATOM 0 HG3 GLU A 29 -10.346 10.181 0.329 1.00 22.11 H new ATOM 482 N ASN A 30 -12.047 11.236 5.031 1.00 62.50 N ATOM 483 CA ASN A 30 -11.790 11.065 6.456 1.00 1.24 C ATOM 484 C ASN A 30 -12.641 9.937 7.032 1.00 41.14 C ATOM 485 O ASN A 30 -12.121 9.003 7.643 1.00 3.33 O ATOM 486 CB ASN A 30 -12.075 12.368 7.207 1.00 72.25 C ATOM 487 CG ASN A 30 -10.873 13.291 7.239 1.00 1.52 C ATOM 488 OD1 ASN A 30 -9.730 12.845 7.135 1.00 53.10 O ATOM 489 ND2 ASN A 30 -11.126 14.587 7.385 1.00 70.11 N ATOM 0 H ASN A 30 -12.486 12.123 4.785 1.00 62.50 H new ATOM 0 HA ASN A 30 -10.739 10.803 6.581 1.00 1.24 H new ATOM 0 HB2 ASN A 30 -12.912 12.882 6.733 1.00 72.25 H new ATOM 0 HB3 ASN A 30 -12.379 12.137 8.228 1.00 72.25 H new ATOM 0 HD21 ASN A 30 -10.357 15.257 7.415 1.00 70.11 H new ATOM 0 HD22 ASN A 30 -12.089 14.912 7.467 1.00 70.11 H new ATOM 496 N CYS A 31 -13.951 10.030 6.831 1.00 44.33 N ATOM 497 CA CYS A 31 -14.875 9.018 7.329 1.00 23.23 C ATOM 498 C CYS A 31 -14.671 7.691 6.605 1.00 44.45 C ATOM 499 O CYS A 31 -14.618 6.632 7.229 1.00 72.40 O ATOM 500 CB CYS A 31 -16.320 9.489 7.160 1.00 62.44 C ATOM 501 SG CYS A 31 -17.052 10.180 8.661 1.00 1.41 S ATOM 0 H CYS A 31 -14.397 10.796 6.326 1.00 44.33 H new ATOM 0 HA CYS A 31 -14.672 8.867 8.389 1.00 23.23 H new ATOM 0 HB2 CYS A 31 -16.356 10.241 6.372 1.00 62.44 H new ATOM 0 HB3 CYS A 31 -16.928 8.648 6.826 1.00 62.44 H new ATOM 0 HG CYS A 31 -17.208 11.463 8.517 1.00 1.41 H new ATOM 507 N LYS A 32 -14.557 7.757 5.282 1.00 15.13 N ATOM 508 CA LYS A 32 -14.360 6.562 4.471 1.00 43.15 C ATOM 509 C LYS A 32 -13.058 5.860 4.844 1.00 41.12 C ATOM 510 O LYS A 32 -12.950 4.637 4.748 1.00 41.45 O ATOM 511 CB LYS A 32 -14.347 6.927 2.984 1.00 21.53 C ATOM 512 CG LYS A 32 -14.201 5.726 2.065 1.00 51.31 C ATOM 513 CD LYS A 32 -13.148 5.967 0.997 1.00 62.24 C ATOM 514 CE LYS A 32 -13.638 6.946 -0.059 1.00 10.00 C ATOM 515 NZ LYS A 32 -12.624 7.163 -1.128 1.00 31.11 N ATOM 0 H LYS A 32 -14.598 8.626 4.749 1.00 15.13 H new ATOM 0 HA LYS A 32 -15.188 5.880 4.665 1.00 43.15 H new ATOM 0 HB2 LYS A 32 -15.271 7.451 2.739 1.00 21.53 H new ATOM 0 HB3 LYS A 32 -13.527 7.620 2.796 1.00 21.53 H new ATOM 0 HG2 LYS A 32 -13.931 4.848 2.652 1.00 51.31 H new ATOM 0 HG3 LYS A 32 -15.159 5.511 1.591 1.00 51.31 H new ATOM 0 HD2 LYS A 32 -12.241 6.354 1.460 1.00 62.24 H new ATOM 0 HD3 LYS A 32 -12.885 5.021 0.524 1.00 62.24 H new ATOM 0 HE2 LYS A 32 -14.559 6.570 -0.504 1.00 10.00 H new ATOM 0 HE3 LYS A 32 -13.878 7.899 0.413 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 -12.996 7.836 -1.828 1.00 31.11 H new ATOM 0 HZ2 LYS A 32 -11.753 7.546 -0.708 1.00 31.11 H new ATOM 0 HZ3 LYS A 32 -12.414 6.258 -1.596 1.00 31.11 H new ATOM 529 N LYS A 33 -12.072 6.641 5.272 1.00 63.13 N ATOM 530 CA LYS A 33 -10.777 6.095 5.663 1.00 75.24 C ATOM 531 C LYS A 33 -10.925 5.136 6.840 1.00 63.13 C ATOM 532 O LYS A 33 -10.034 4.331 7.112 1.00 44.20 O ATOM 533 CB LYS A 33 -9.814 7.225 6.030 1.00 44.34 C ATOM 534 CG LYS A 33 -8.854 7.593 4.911 1.00 1.53 C ATOM 535 CD LYS A 33 -7.555 6.811 5.011 1.00 72.03 C ATOM 536 CE LYS A 33 -6.357 7.736 5.162 1.00 33.00 C ATOM 537 NZ LYS A 33 -5.155 7.010 5.657 1.00 61.04 N ATOM 0 H LYS A 33 -12.145 7.655 5.357 1.00 63.13 H new ATOM 0 HA LYS A 33 -10.372 5.543 4.815 1.00 75.24 H new ATOM 0 HB2 LYS A 33 -10.391 8.107 6.307 1.00 44.34 H new ATOM 0 HB3 LYS A 33 -9.240 6.931 6.908 1.00 44.34 H new ATOM 0 HG2 LYS A 33 -9.325 7.397 3.948 1.00 1.53 H new ATOM 0 HG3 LYS A 33 -8.641 8.661 4.950 1.00 1.53 H new ATOM 0 HD2 LYS A 33 -7.602 6.133 5.863 1.00 72.03 H new ATOM 0 HD3 LYS A 33 -7.430 6.195 4.120 1.00 72.03 H new ATOM 0 HE2 LYS A 33 -6.132 8.198 4.201 1.00 33.00 H new ATOM 0 HE3 LYS A 33 -6.605 8.542 5.853 1.00 33.00 H new ATOM 0 HZ1 LYS A 33 -4.360 7.675 5.747 1.00 61.04 H new ATOM 0 HZ2 LYS A 33 -5.361 6.590 6.586 1.00 61.04 H new ATOM 0 HZ3 LYS A 33 -4.903 6.257 4.985 1.00 61.04 H new ATOM 551 N ARG A 34 -12.055 5.226 7.533 1.00 1.30 N ATOM 552 CA ARG A 34 -12.318 4.366 8.680 1.00 13.44 C ATOM 553 C ARG A 34 -12.768 2.980 8.229 1.00 63.21 C ATOM 554 O ARG A 34 -13.000 2.094 9.050 1.00 13.02 O ATOM 555 CB ARG A 34 -13.386 4.993 9.580 1.00 63.53 C ATOM 556 CG ARG A 34 -13.137 4.774 11.063 1.00 32.21 C ATOM 557 CD ARG A 34 -14.419 4.912 11.869 1.00 34.31 C ATOM 558 NE ARG A 34 -14.398 4.090 13.076 1.00 73.40 N ATOM 559 CZ ARG A 34 -14.532 2.768 13.067 1.00 11.05 C ATOM 560 NH1 ARG A 34 -14.695 2.122 11.921 1.00 14.30 N ATOM 561 NH2 ARG A 34 -14.502 2.090 14.207 1.00 33.44 N ATOM 0 H ARG A 34 -12.803 5.886 7.320 1.00 1.30 H new ATOM 0 HA ARG A 34 -11.391 4.262 9.244 1.00 13.44 H new ATOM 0 HB2 ARG A 34 -13.433 6.064 9.382 1.00 63.53 H new ATOM 0 HB3 ARG A 34 -14.359 4.578 9.318 1.00 63.53 H new ATOM 0 HG2 ARG A 34 -12.713 3.782 11.219 1.00 32.21 H new ATOM 0 HG3 ARG A 34 -12.402 5.495 11.420 1.00 32.21 H new ATOM 0 HD2 ARG A 34 -14.563 5.957 12.144 1.00 34.31 H new ATOM 0 HD3 ARG A 34 -15.269 4.625 11.250 1.00 34.31 H new ATOM 0 HE ARG A 34 -14.274 4.556 13.975 1.00 73.40 H new ATOM 0 HH11 ARG A 34 -14.718 2.640 11.042 1.00 14.30 H new ATOM 0 HH12 ARG A 34 -14.798 1.107 11.918 1.00 14.30 H new ATOM 0 HH21 ARG A 34 -14.376 2.584 15.091 1.00 33.44 H new ATOM 0 HH22 ARG A 34 -14.605 1.075 14.200 1.00 33.44 H new ATOM 575 N ASN A 35 -12.888 2.800 6.917 1.00 11.45 N ATOM 576 CA ASN A 35 -13.311 1.522 6.357 1.00 42.24 C ATOM 577 C ASN A 35 -12.463 1.154 5.143 1.00 70.22 C ATOM 578 O ASN A 35 -11.809 0.111 5.123 1.00 15.21 O ATOM 579 CB ASN A 35 -14.788 1.578 5.963 1.00 52.12 C ATOM 580 CG ASN A 35 -15.704 1.688 7.167 1.00 63.32 C ATOM 581 OD1 ASN A 35 -16.013 2.787 7.627 1.00 21.24 O ATOM 582 ND2 ASN A 35 -16.142 0.545 7.683 1.00 41.23 N ATOM 0 H ASN A 35 -12.698 3.523 6.223 1.00 11.45 H new ATOM 0 HA ASN A 35 -13.174 0.756 7.120 1.00 42.24 H new ATOM 0 HB2 ASN A 35 -14.954 2.431 5.305 1.00 52.12 H new ATOM 0 HB3 ASN A 35 -15.044 0.683 5.396 1.00 52.12 H new ATOM 0 HD21 ASN A 35 -16.761 0.555 8.494 1.00 41.23 H new ATOM 0 HD22 ASN A 35 -15.860 -0.343 7.268 1.00 41.23 H new ATOM 589 N MET A 36 -12.479 2.017 4.133 1.00 40.23 N ATOM 590 CA MET A 36 -11.710 1.783 2.916 1.00 51.42 C ATOM 591 C MET A 36 -10.580 2.800 2.783 1.00 74.33 C ATOM 592 O MET A 36 -10.662 3.757 2.013 1.00 51.10 O ATOM 593 CB MET A 36 -12.622 1.854 1.689 1.00 31.44 C ATOM 594 CG MET A 36 -11.891 1.631 0.375 1.00 34.22 C ATOM 595 SD MET A 36 -12.938 0.870 -0.881 1.00 24.11 S ATOM 596 CE MET A 36 -11.702 0.167 -1.971 1.00 2.54 C ATOM 0 H MET A 36 -13.016 2.884 4.133 1.00 40.23 H new ATOM 0 HA MET A 36 -11.273 0.786 2.978 1.00 51.42 H new ATOM 0 HB2 MET A 36 -13.410 1.107 1.788 1.00 31.44 H new ATOM 0 HB3 MET A 36 -13.108 2.829 1.664 1.00 31.44 H new ATOM 0 HG2 MET A 36 -11.520 2.586 0.003 1.00 34.22 H new ATOM 0 HG3 MET A 36 -11.021 0.998 0.550 1.00 34.22 H new ATOM 0 HE1 MET A 36 -12.189 -0.246 -2.854 1.00 2.54 H new ATOM 0 HE2 MET A 36 -11.000 0.944 -2.274 1.00 2.54 H new ATOM 0 HE3 MET A 36 -11.164 -0.625 -1.449 1.00 2.54 H new ATOM 606 N PRO A 37 -9.500 2.589 3.550 1.00 54.33 N ATOM 607 CA PRO A 37 -8.334 3.477 3.535 1.00 63.34 C ATOM 608 C PRO A 37 -7.548 3.380 2.231 1.00 33.43 C ATOM 609 O PRO A 37 -7.675 2.404 1.489 1.00 4.35 O ATOM 610 CB PRO A 37 -7.489 2.972 4.707 1.00 62.20 C ATOM 611 CG PRO A 37 -7.882 1.544 4.870 1.00 44.02 C ATOM 612 CD PRO A 37 -9.335 1.468 4.490 1.00 3.43 C ATOM 0 HA PRO A 37 -8.619 4.526 3.618 1.00 63.34 H new ATOM 0 HB2 PRO A 37 -6.424 3.068 4.497 1.00 62.20 H new ATOM 0 HB3 PRO A 37 -7.688 3.543 5.614 1.00 62.20 H new ATOM 0 HG2 PRO A 37 -7.278 0.898 4.233 1.00 44.02 H new ATOM 0 HG3 PRO A 37 -7.729 1.212 5.897 1.00 44.02 H new ATOM 0 HD2 PRO A 37 -9.579 0.513 4.024 1.00 3.43 H new ATOM 0 HD3 PRO A 37 -9.984 1.574 5.359 1.00 3.43 H new ATOM 620 N LEU A 38 -6.737 4.395 1.958 1.00 50.32 N ATOM 621 CA LEU A 38 -5.930 4.424 0.743 1.00 3.21 C ATOM 622 C LEU A 38 -4.495 4.840 1.052 1.00 31.35 C ATOM 623 O LEU A 38 -4.059 4.788 2.202 1.00 64.11 O ATOM 624 CB LEU A 38 -6.542 5.385 -0.277 1.00 53.13 C ATOM 625 CG LEU A 38 -6.536 4.913 -1.732 1.00 5.42 C ATOM 626 CD1 LEU A 38 -7.933 4.500 -2.165 1.00 54.25 C ATOM 627 CD2 LEU A 38 -5.993 6.004 -2.644 1.00 2.23 C ATOM 0 H LEU A 38 -6.620 5.209 2.561 1.00 50.32 H new ATOM 0 HA LEU A 38 -5.915 3.418 0.323 1.00 3.21 H new ATOM 0 HB2 LEU A 38 -7.573 5.585 0.015 1.00 53.13 H new ATOM 0 HB3 LEU A 38 -6.006 6.332 -0.221 1.00 53.13 H new ATOM 0 HG LEU A 38 -5.883 4.044 -1.809 1.00 5.42 H new ATOM 0 HD11 LEU A 38 -7.909 4.167 -3.203 1.00 54.25 H new ATOM 0 HD12 LEU A 38 -8.285 3.686 -1.531 1.00 54.25 H new ATOM 0 HD13 LEU A 38 -8.609 5.350 -2.072 1.00 54.25 H new ATOM 0 HD21 LEU A 38 -5.996 5.651 -3.675 1.00 2.23 H new ATOM 0 HD22 LEU A 38 -6.620 6.892 -2.563 1.00 2.23 H new ATOM 0 HD23 LEU A 38 -4.974 6.252 -2.348 1.00 2.23 H new ATOM 639 N GLN A 39 -3.768 5.253 0.019 1.00 14.44 N ATOM 640 CA GLN A 39 -2.383 5.679 0.182 1.00 54.40 C ATOM 641 C GLN A 39 -2.309 7.037 0.873 1.00 51.25 C ATOM 642 O GLN A 39 -1.391 7.300 1.649 1.00 10.12 O ATOM 643 CB GLN A 39 -1.685 5.746 -1.177 1.00 53.44 C ATOM 644 CG GLN A 39 -1.136 4.409 -1.646 1.00 24.34 C ATOM 645 CD GLN A 39 0.230 4.103 -1.063 1.00 62.11 C ATOM 646 OE1 GLN A 39 0.854 4.957 -0.433 1.00 25.01 O ATOM 647 NE2 GLN A 39 0.702 2.879 -1.271 1.00 2.32 N ATOM 0 H GLN A 39 -4.115 5.302 -0.939 1.00 14.44 H new ATOM 0 HA GLN A 39 -1.875 4.945 0.808 1.00 54.40 H new ATOM 0 HB2 GLN A 39 -2.389 6.121 -1.920 1.00 53.44 H new ATOM 0 HB3 GLN A 39 -0.868 6.465 -1.121 1.00 53.44 H new ATOM 0 HG2 GLN A 39 -1.831 3.617 -1.368 1.00 24.34 H new ATOM 0 HG3 GLN A 39 -1.071 4.409 -2.734 1.00 24.34 H new ATOM 0 HE21 GLN A 39 0.151 2.203 -1.799 1.00 2.32 H new ATOM 0 HE22 GLN A 39 1.616 2.615 -0.903 1.00 2.32 H new ATOM 656 N SER A 40 -3.281 7.896 0.584 1.00 52.52 N ATOM 657 CA SER A 40 -3.324 9.229 1.174 1.00 44.31 C ATOM 658 C SER A 40 -4.600 9.962 0.771 1.00 61.42 C ATOM 659 O SER A 40 -5.536 10.080 1.562 1.00 52.34 O ATOM 660 CB SER A 40 -2.099 10.040 0.743 1.00 35.24 C ATOM 661 OG SER A 40 -1.148 10.122 1.791 1.00 55.43 O ATOM 0 H SER A 40 -4.049 7.693 -0.055 1.00 52.52 H new ATOM 0 HA SER A 40 -3.316 9.119 2.258 1.00 44.31 H new ATOM 0 HB2 SER A 40 -1.642 9.578 -0.132 1.00 35.24 H new ATOM 0 HB3 SER A 40 -2.408 11.043 0.449 1.00 35.24 H new ATOM 0 HG SER A 40 -0.927 9.220 2.103 1.00 55.43 H new ATOM 667 N ILE A 41 -4.629 10.450 -0.464 1.00 41.43 N ATOM 668 CA ILE A 41 -5.790 11.170 -0.973 1.00 42.14 C ATOM 669 C ILE A 41 -6.306 10.539 -2.262 1.00 32.11 C ATOM 670 O ILE A 41 -5.812 10.810 -3.357 1.00 31.44 O ATOM 671 CB ILE A 41 -5.463 12.652 -1.236 1.00 62.01 C ATOM 672 CG1 ILE A 41 -4.157 12.777 -2.023 1.00 62.25 C ATOM 673 CG2 ILE A 41 -5.371 13.415 0.077 1.00 70.11 C ATOM 674 CD1 ILE A 41 -4.239 13.749 -3.179 1.00 43.14 C ATOM 0 H ILE A 41 -3.862 10.360 -1.131 1.00 41.43 H new ATOM 0 HA ILE A 41 -6.561 11.107 -0.206 1.00 42.14 H new ATOM 0 HB ILE A 41 -6.267 13.086 -1.831 1.00 62.01 H new ATOM 0 HG12 ILE A 41 -3.364 13.095 -1.347 1.00 62.25 H new ATOM 0 HG13 ILE A 41 -3.876 11.795 -2.404 1.00 62.25 H new ATOM 0 HG21 ILE A 41 -5.139 14.461 -0.125 1.00 70.11 H new ATOM 0 HG22 ILE A 41 -6.323 13.350 0.603 1.00 70.11 H new ATOM 0 HG23 ILE A 41 -4.584 12.982 0.695 1.00 70.11 H new ATOM 0 HD11 ILE A 41 -3.278 13.787 -3.691 1.00 43.14 H new ATOM 0 HD12 ILE A 41 -5.009 13.421 -3.877 1.00 43.14 H new ATOM 0 HD13 ILE A 41 -4.489 14.741 -2.803 1.00 43.14 H new ATOM 686 N PRO A 42 -7.326 9.678 -2.131 1.00 72.34 N ATOM 687 CA PRO A 42 -7.934 8.992 -3.275 1.00 73.43 C ATOM 688 C PRO A 42 -8.723 9.942 -4.169 1.00 50.42 C ATOM 689 O PRO A 42 -9.762 10.466 -3.769 1.00 1.24 O ATOM 690 CB PRO A 42 -8.870 7.973 -2.621 1.00 74.50 C ATOM 691 CG PRO A 42 -9.193 8.556 -1.289 1.00 33.53 C ATOM 692 CD PRO A 42 -7.965 9.308 -0.857 1.00 61.22 C ATOM 0 HA PRO A 42 -7.184 8.545 -3.928 1.00 73.43 H new ATOM 0 HB2 PRO A 42 -9.771 7.823 -3.217 1.00 74.50 H new ATOM 0 HB3 PRO A 42 -8.389 7.000 -2.521 1.00 74.50 H new ATOM 0 HG2 PRO A 42 -10.055 9.220 -1.352 1.00 33.53 H new ATOM 0 HG3 PRO A 42 -9.445 7.775 -0.572 1.00 33.53 H new ATOM 0 HD2 PRO A 42 -8.220 10.187 -0.265 1.00 61.22 H new ATOM 0 HD3 PRO A 42 -7.310 8.689 -0.244 1.00 61.22 H new ATOM 700 N GLU A 43 -8.222 10.160 -5.381 1.00 75.04 N ATOM 701 CA GLU A 43 -8.882 11.049 -6.331 1.00 63.41 C ATOM 702 C GLU A 43 -9.012 10.383 -7.698 1.00 41.54 C ATOM 703 O GLU A 43 -8.112 9.668 -8.141 1.00 12.55 O ATOM 704 CB GLU A 43 -8.104 12.360 -6.462 1.00 23.44 C ATOM 705 CG GLU A 43 -8.986 13.567 -6.731 1.00 70.24 C ATOM 706 CD GLU A 43 -9.796 13.980 -5.518 1.00 2.51 C ATOM 707 OE1 GLU A 43 -9.188 14.224 -4.455 1.00 4.14 O ATOM 708 OE2 GLU A 43 -11.037 14.060 -5.631 1.00 43.41 O ATOM 0 H GLU A 43 -7.363 9.734 -5.728 1.00 75.04 H new ATOM 0 HA GLU A 43 -9.882 11.265 -5.954 1.00 63.41 H new ATOM 0 HB2 GLU A 43 -7.539 12.530 -5.546 1.00 23.44 H new ATOM 0 HB3 GLU A 43 -7.379 12.263 -7.270 1.00 23.44 H new ATOM 0 HG2 GLU A 43 -8.364 14.403 -7.049 1.00 70.24 H new ATOM 0 HG3 GLU A 43 -9.663 13.341 -7.555 1.00 70.24 H new ATOM 715 N ILE A 44 -10.138 10.624 -8.362 1.00 3.01 N ATOM 716 CA ILE A 44 -10.386 10.049 -9.678 1.00 43.32 C ATOM 717 C ILE A 44 -11.189 11.006 -10.553 1.00 60.31 C ATOM 718 O ILE A 44 -12.347 11.304 -10.264 1.00 71.54 O ATOM 719 CB ILE A 44 -11.139 8.710 -9.575 1.00 52.10 C ATOM 720 CG1 ILE A 44 -10.311 7.694 -8.786 1.00 34.30 C ATOM 721 CG2 ILE A 44 -11.462 8.176 -10.962 1.00 70.34 C ATOM 722 CD1 ILE A 44 -10.555 7.744 -7.294 1.00 32.31 C ATOM 0 H ILE A 44 -10.892 11.213 -8.010 1.00 3.01 H new ATOM 0 HA ILE A 44 -9.412 9.873 -10.135 1.00 43.32 H new ATOM 0 HB ILE A 44 -12.076 8.877 -9.044 1.00 52.10 H new ATOM 0 HG12 ILE A 44 -10.538 6.692 -9.150 1.00 34.30 H new ATOM 0 HG13 ILE A 44 -9.253 7.871 -8.979 1.00 34.30 H new ATOM 0 HG21 ILE A 44 -11.994 7.229 -10.872 1.00 70.34 H new ATOM 0 HG22 ILE A 44 -12.087 8.895 -11.492 1.00 70.34 H new ATOM 0 HG23 ILE A 44 -10.537 8.021 -11.517 1.00 70.34 H new ATOM 0 HD11 ILE A 44 -9.935 6.997 -6.799 1.00 32.31 H new ATOM 0 HD12 ILE A 44 -10.301 8.735 -6.917 1.00 32.31 H new ATOM 0 HD13 ILE A 44 -11.605 7.537 -7.090 1.00 32.31 H new ATOM 734 N GLY A 45 -10.565 11.483 -11.626 1.00 75.13 N ATOM 735 CA GLY A 45 -11.238 12.399 -12.528 1.00 42.45 C ATOM 736 C GLY A 45 -10.881 13.847 -12.257 1.00 3.25 C ATOM 737 O GLY A 45 -10.011 14.413 -12.917 1.00 52.53 O ATOM 0 H GLY A 45 -9.606 11.252 -11.886 1.00 75.13 H new ATOM 0 HA2 GLY A 45 -10.976 12.150 -13.556 1.00 42.45 H new ATOM 0 HA3 GLY A 45 -12.316 12.270 -12.434 1.00 42.45 H new ATOM 741 N ASN A 46 -11.555 14.448 -11.282 1.00 1.34 N ATOM 742 CA ASN A 46 -11.305 15.840 -10.925 1.00 53.43 C ATOM 743 C ASN A 46 -12.208 16.278 -9.776 1.00 11.01 C ATOM 744 O ASN A 46 -12.767 17.375 -9.795 1.00 73.43 O ATOM 745 CB ASN A 46 -11.529 16.747 -12.138 1.00 23.34 C ATOM 746 CG ASN A 46 -10.481 17.838 -12.244 1.00 52.13 C ATOM 747 OD1 ASN A 46 -9.448 17.662 -12.891 1.00 33.45 O ATOM 748 ND2 ASN A 46 -10.744 18.974 -11.609 1.00 3.15 N ATOM 0 H ASN A 46 -12.278 13.993 -10.725 1.00 1.34 H new ATOM 0 HA ASN A 46 -10.268 15.925 -10.601 1.00 53.43 H new ATOM 0 HB2 ASN A 46 -11.516 16.145 -13.046 1.00 23.34 H new ATOM 0 HB3 ASN A 46 -12.517 17.201 -12.071 1.00 23.34 H new ATOM 0 HD21 ASN A 46 -10.077 19.745 -11.646 1.00 3.15 H new ATOM 0 HD22 ASN A 46 -11.613 19.076 -11.085 1.00 3.15 H new ATOM 755 N ARG A 47 -12.345 15.413 -8.776 1.00 3.41 N ATOM 756 CA ARG A 47 -13.180 15.710 -7.618 1.00 43.12 C ATOM 757 C ARG A 47 -14.643 15.853 -8.026 1.00 11.53 C ATOM 758 O ARG A 47 -15.030 16.839 -8.654 1.00 35.01 O ATOM 759 CB ARG A 47 -12.702 16.992 -6.933 1.00 70.21 C ATOM 760 CG ARG A 47 -11.194 17.064 -6.761 1.00 4.43 C ATOM 761 CD ARG A 47 -10.596 18.213 -7.558 1.00 15.40 C ATOM 762 NE ARG A 47 -11.069 19.512 -7.084 1.00 65.24 N ATOM 763 CZ ARG A 47 -11.037 20.618 -7.819 1.00 61.12 C ATOM 764 NH1 ARG A 47 -10.559 20.583 -9.055 1.00 44.23 N ATOM 765 NH2 ARG A 47 -11.485 21.762 -7.318 1.00 20.11 N ATOM 0 H ARG A 47 -11.889 14.501 -8.744 1.00 3.41 H new ATOM 0 HA ARG A 47 -13.096 14.879 -6.917 1.00 43.12 H new ATOM 0 HB2 ARG A 47 -13.034 17.851 -7.516 1.00 70.21 H new ATOM 0 HB3 ARG A 47 -13.175 17.069 -5.954 1.00 70.21 H new ATOM 0 HG2 ARG A 47 -10.953 17.188 -5.705 1.00 4.43 H new ATOM 0 HG3 ARG A 47 -10.745 16.124 -7.083 1.00 4.43 H new ATOM 0 HD2 ARG A 47 -9.509 18.175 -7.488 1.00 15.40 H new ATOM 0 HD3 ARG A 47 -10.852 18.096 -8.611 1.00 15.40 H new ATOM 0 HE ARG A 47 -11.444 19.573 -6.137 1.00 65.24 H new ATOM 0 HH11 ARG A 47 -10.215 19.705 -9.444 1.00 44.23 H new ATOM 0 HH12 ARG A 47 -10.536 21.434 -9.617 1.00 44.23 H new ATOM 0 HH21 ARG A 47 -11.854 21.793 -6.368 1.00 20.11 H new ATOM 0 HH22 ARG A 47 -11.460 22.611 -7.883 1.00 20.11 H new ATOM 779 N LYS A 48 -15.452 14.863 -7.665 1.00 12.35 N ATOM 780 CA LYS A 48 -16.873 14.878 -7.991 1.00 72.00 C ATOM 781 C LYS A 48 -17.699 14.286 -6.854 1.00 20.45 C ATOM 782 O LYS A 48 -18.875 13.965 -7.029 1.00 41.44 O ATOM 783 CB LYS A 48 -17.129 14.097 -9.282 1.00 30.53 C ATOM 784 CG LYS A 48 -16.236 14.518 -10.435 1.00 44.44 C ATOM 785 CD LYS A 48 -14.962 13.692 -10.485 1.00 64.21 C ATOM 786 CE LYS A 48 -14.785 13.020 -11.838 1.00 54.13 C ATOM 787 NZ LYS A 48 -14.142 13.927 -12.828 1.00 45.33 N ATOM 0 H LYS A 48 -15.148 14.039 -7.146 1.00 12.35 H new ATOM 0 HA LYS A 48 -17.176 15.915 -8.134 1.00 72.00 H new ATOM 0 HB2 LYS A 48 -16.982 13.034 -9.089 1.00 30.53 H new ATOM 0 HB3 LYS A 48 -18.171 14.227 -9.574 1.00 30.53 H new ATOM 0 HG2 LYS A 48 -16.778 14.409 -11.374 1.00 44.44 H new ATOM 0 HG3 LYS A 48 -15.983 15.573 -10.333 1.00 44.44 H new ATOM 0 HD2 LYS A 48 -14.104 14.332 -10.281 1.00 64.21 H new ATOM 0 HD3 LYS A 48 -14.988 12.934 -9.702 1.00 64.21 H new ATOM 0 HE2 LYS A 48 -14.178 12.122 -11.721 1.00 54.13 H new ATOM 0 HE3 LYS A 48 -15.757 12.701 -12.215 1.00 54.13 H new ATOM 0 HZ1 LYS A 48 -13.498 13.379 -13.434 1.00 45.33 H new ATOM 0 HZ2 LYS A 48 -14.874 14.374 -13.416 1.00 45.33 H new ATOM 0 HZ3 LYS A 48 -13.604 14.662 -12.327 1.00 45.33 H new ATOM 801 N ILE A 49 -17.077 14.144 -5.688 1.00 44.21 N ATOM 802 CA ILE A 49 -17.756 13.593 -4.522 1.00 64.11 C ATOM 803 C ILE A 49 -18.523 14.675 -3.770 1.00 3.20 C ATOM 804 O ILE A 49 -19.266 14.386 -2.834 1.00 15.03 O ATOM 805 CB ILE A 49 -16.761 12.920 -3.558 1.00 33.15 C ATOM 806 CG1 ILE A 49 -15.785 12.033 -4.333 1.00 53.05 C ATOM 807 CG2 ILE A 49 -17.507 12.106 -2.511 1.00 13.24 C ATOM 808 CD1 ILE A 49 -14.679 11.458 -3.477 1.00 35.25 C ATOM 0 H ILE A 49 -16.104 14.403 -5.526 1.00 44.21 H new ATOM 0 HA ILE A 49 -18.457 12.844 -4.889 1.00 64.11 H new ATOM 0 HB ILE A 49 -16.190 13.697 -3.049 1.00 33.15 H new ATOM 0 HG12 ILE A 49 -16.338 11.215 -4.794 1.00 53.05 H new ATOM 0 HG13 ILE A 49 -15.342 12.615 -5.142 1.00 53.05 H new ATOM 0 HG21 ILE A 49 -16.791 11.636 -1.837 1.00 13.24 H new ATOM 0 HG22 ILE A 49 -18.165 12.762 -1.941 1.00 13.24 H new ATOM 0 HG23 ILE A 49 -18.100 11.336 -3.004 1.00 13.24 H new ATOM 0 HD11 ILE A 49 -14.026 10.840 -4.093 1.00 35.25 H new ATOM 0 HD12 ILE A 49 -14.101 12.270 -3.036 1.00 35.25 H new ATOM 0 HD13 ILE A 49 -15.112 10.849 -2.684 1.00 35.25 H new ATOM 820 N ASN A 50 -18.337 15.923 -4.188 1.00 13.20 N ATOM 821 CA ASN A 50 -19.013 17.050 -3.555 1.00 31.34 C ATOM 822 C ASN A 50 -20.486 17.093 -3.951 1.00 3.40 C ATOM 823 O ASN A 50 -20.866 16.619 -5.022 1.00 72.40 O ATOM 824 CB ASN A 50 -18.330 18.363 -3.941 1.00 13.45 C ATOM 825 CG ASN A 50 -18.992 19.569 -3.300 1.00 64.42 C ATOM 826 OD1 ASN A 50 -19.223 20.585 -3.955 1.00 64.14 O ATOM 827 ND2 ASN A 50 -19.299 19.460 -2.013 1.00 13.11 N ATOM 0 H ASN A 50 -17.724 16.179 -4.962 1.00 13.20 H new ATOM 0 HA ASN A 50 -18.950 16.920 -2.475 1.00 31.34 H new ATOM 0 HB2 ASN A 50 -17.282 18.326 -3.643 1.00 13.45 H new ATOM 0 HB3 ASN A 50 -18.349 18.475 -5.025 1.00 13.45 H new ATOM 0 HD21 ASN A 50 -19.745 20.238 -1.527 1.00 13.11 H new ATOM 0 HD22 ASN A 50 -19.089 18.598 -1.510 1.00 13.11 H new ATOM 834 N LEU A 51 -21.310 17.666 -3.081 1.00 50.50 N ATOM 835 CA LEU A 51 -22.742 17.774 -3.340 1.00 23.52 C ATOM 836 C LEU A 51 -23.022 18.800 -4.433 1.00 33.23 C ATOM 837 O LEU A 51 -24.053 18.741 -5.104 1.00 44.22 O ATOM 838 CB LEU A 51 -23.484 18.160 -2.059 1.00 61.51 C ATOM 839 CG LEU A 51 -24.901 17.605 -1.911 1.00 71.44 C ATOM 840 CD1 LEU A 51 -25.115 17.052 -0.511 1.00 24.31 C ATOM 841 CD2 LEU A 51 -25.931 18.681 -2.225 1.00 25.52 C ATOM 0 H LEU A 51 -21.012 18.063 -2.190 1.00 50.50 H new ATOM 0 HA LEU A 51 -23.099 16.802 -3.680 1.00 23.52 H new ATOM 0 HB2 LEU A 51 -22.893 17.826 -1.206 1.00 61.51 H new ATOM 0 HB3 LEU A 51 -23.534 19.248 -2.005 1.00 61.51 H new ATOM 0 HG LEU A 51 -25.027 16.790 -2.624 1.00 71.44 H new ATOM 0 HD11 LEU A 51 -26.129 16.662 -0.425 1.00 24.31 H new ATOM 0 HD12 LEU A 51 -24.401 16.251 -0.323 1.00 24.31 H new ATOM 0 HD13 LEU A 51 -24.969 17.847 0.220 1.00 24.31 H new ATOM 0 HD21 LEU A 51 -26.934 18.268 -2.115 1.00 25.52 H new ATOM 0 HD22 LEU A 51 -25.805 19.517 -1.537 1.00 25.52 H new ATOM 0 HD23 LEU A 51 -25.793 19.029 -3.249 1.00 25.52 H new ATOM 853 N PHE A 52 -22.098 19.738 -4.607 1.00 40.52 N ATOM 854 CA PHE A 52 -22.245 20.777 -5.620 1.00 11.41 C ATOM 855 C PHE A 52 -21.582 20.359 -6.929 1.00 32.31 C ATOM 856 O PHE A 52 -22.064 20.685 -8.014 1.00 35.02 O ATOM 857 CB PHE A 52 -21.637 22.091 -5.125 1.00 13.52 C ATOM 858 CG PHE A 52 -22.600 23.244 -5.150 1.00 41.21 C ATOM 859 CD1 PHE A 52 -23.660 23.298 -4.260 1.00 13.02 C ATOM 860 CD2 PHE A 52 -22.444 24.274 -6.064 1.00 11.13 C ATOM 861 CE1 PHE A 52 -24.548 24.357 -4.282 1.00 2.24 C ATOM 862 CE2 PHE A 52 -23.328 25.336 -6.090 1.00 14.21 C ATOM 863 CZ PHE A 52 -24.381 25.378 -5.197 1.00 0.22 C ATOM 0 H PHE A 52 -21.239 19.801 -4.060 1.00 40.52 H new ATOM 0 HA PHE A 52 -23.310 20.923 -5.803 1.00 11.41 H new ATOM 0 HB2 PHE A 52 -21.274 21.953 -4.107 1.00 13.52 H new ATOM 0 HB3 PHE A 52 -20.772 22.337 -5.741 1.00 13.52 H new ATOM 0 HD1 PHE A 52 -23.794 22.504 -3.541 1.00 13.02 H new ATOM 0 HD2 PHE A 52 -21.622 24.246 -6.764 1.00 11.13 H new ATOM 0 HE1 PHE A 52 -25.372 24.386 -3.584 1.00 2.24 H new ATOM 0 HE2 PHE A 52 -23.196 26.132 -6.808 1.00 14.21 H new ATOM 0 HZ PHE A 52 -25.072 26.208 -5.214 1.00 0.22 H new ATOM 873 N TYR A 53 -20.474 19.635 -6.819 1.00 21.04 N ATOM 874 CA TYR A 53 -19.742 19.174 -7.992 1.00 72.34 C ATOM 875 C TYR A 53 -20.503 18.060 -8.705 1.00 64.43 C ATOM 876 O TYR A 53 -20.692 18.101 -9.922 1.00 33.23 O ATOM 877 CB TYR A 53 -18.351 18.681 -7.591 1.00 21.10 C ATOM 878 CG TYR A 53 -17.345 18.722 -8.719 1.00 50.41 C ATOM 879 CD1 TYR A 53 -17.535 17.973 -9.873 1.00 74.34 C ATOM 880 CD2 TYR A 53 -16.204 19.510 -8.630 1.00 51.14 C ATOM 881 CE1 TYR A 53 -16.619 18.007 -10.907 1.00 22.35 C ATOM 882 CE2 TYR A 53 -15.283 19.552 -9.659 1.00 60.51 C ATOM 883 CZ TYR A 53 -15.495 18.798 -10.795 1.00 4.02 C ATOM 884 OH TYR A 53 -14.579 18.835 -11.821 1.00 44.41 O ATOM 0 H TYR A 53 -20.063 19.355 -5.929 1.00 21.04 H new ATOM 0 HA TYR A 53 -19.638 20.015 -8.677 1.00 72.34 H new ATOM 0 HB2 TYR A 53 -17.983 19.290 -6.765 1.00 21.10 H new ATOM 0 HB3 TYR A 53 -18.430 17.658 -7.223 1.00 21.10 H new ATOM 0 HD1 TYR A 53 -18.415 17.353 -9.964 1.00 74.34 H new ATOM 0 HD2 TYR A 53 -16.034 20.100 -7.741 1.00 51.14 H new ATOM 0 HE1 TYR A 53 -16.782 17.418 -11.797 1.00 22.35 H new ATOM 0 HE2 TYR A 53 -14.402 20.171 -9.575 1.00 60.51 H new ATOM 0 HH TYR A 53 -13.846 19.441 -11.584 1.00 44.41 H new ATOM 894 N LEU A 54 -20.936 17.065 -7.939 1.00 75.34 N ATOM 895 CA LEU A 54 -21.678 15.938 -8.496 1.00 4.13 C ATOM 896 C LEU A 54 -22.985 16.405 -9.127 1.00 72.02 C ATOM 897 O LEU A 54 -23.485 15.791 -10.070 1.00 50.02 O ATOM 898 CB LEU A 54 -21.965 14.903 -7.406 1.00 41.43 C ATOM 899 CG LEU A 54 -22.308 13.495 -7.892 1.00 62.32 C ATOM 900 CD1 LEU A 54 -21.593 12.450 -7.049 1.00 1.41 C ATOM 901 CD2 LEU A 54 -23.813 13.271 -7.859 1.00 64.41 C ATOM 0 H LEU A 54 -20.787 17.015 -6.931 1.00 75.34 H new ATOM 0 HA LEU A 54 -21.066 15.479 -9.272 1.00 4.13 H new ATOM 0 HB2 LEU A 54 -21.093 14.839 -6.755 1.00 41.43 H new ATOM 0 HB3 LEU A 54 -22.792 15.267 -6.796 1.00 41.43 H new ATOM 0 HG LEU A 54 -21.968 13.395 -8.923 1.00 62.32 H new ATOM 0 HD11 LEU A 54 -21.849 11.454 -7.410 1.00 1.41 H new ATOM 0 HD12 LEU A 54 -20.516 12.597 -7.124 1.00 1.41 H new ATOM 0 HD13 LEU A 54 -21.901 12.549 -6.008 1.00 1.41 H new ATOM 0 HD21 LEU A 54 -24.039 12.263 -8.208 1.00 64.41 H new ATOM 0 HD22 LEU A 54 -24.176 13.391 -6.838 1.00 64.41 H new ATOM 0 HD23 LEU A 54 -24.303 13.998 -8.507 1.00 64.41 H new ATOM 913 N TYR A 55 -23.533 17.495 -8.603 1.00 10.44 N ATOM 914 CA TYR A 55 -24.783 18.045 -9.115 1.00 22.13 C ATOM 915 C TYR A 55 -24.551 18.803 -10.418 1.00 70.55 C ATOM 916 O TYR A 55 -25.233 18.568 -11.415 1.00 72.53 O ATOM 917 CB TYR A 55 -25.419 18.973 -8.078 1.00 45.35 C ATOM 918 CG TYR A 55 -26.852 19.338 -8.391 1.00 52.22 C ATOM 919 CD1 TYR A 55 -27.827 18.357 -8.524 1.00 24.21 C ATOM 920 CD2 TYR A 55 -27.232 20.665 -8.553 1.00 33.12 C ATOM 921 CE1 TYR A 55 -29.137 18.686 -8.810 1.00 73.23 C ATOM 922 CE2 TYR A 55 -28.541 21.003 -8.838 1.00 11.21 C ATOM 923 CZ TYR A 55 -29.490 20.010 -8.966 1.00 43.22 C ATOM 924 OH TYR A 55 -30.795 20.342 -9.250 1.00 44.11 O ATOM 0 H TYR A 55 -23.131 18.016 -7.823 1.00 10.44 H new ATOM 0 HA TYR A 55 -25.461 17.215 -9.314 1.00 22.13 H new ATOM 0 HB2 TYR A 55 -25.380 18.492 -7.100 1.00 45.35 H new ATOM 0 HB3 TYR A 55 -24.827 19.886 -8.008 1.00 45.35 H new ATOM 0 HD1 TYR A 55 -27.555 17.319 -8.402 1.00 24.21 H new ATOM 0 HD2 TYR A 55 -26.492 21.445 -8.454 1.00 33.12 H new ATOM 0 HE1 TYR A 55 -29.882 17.910 -8.911 1.00 73.23 H new ATOM 0 HE2 TYR A 55 -28.820 22.039 -8.960 1.00 11.21 H new ATOM 0 HH TYR A 55 -30.875 21.316 -9.327 1.00 44.11 H new ATOM 934 N MET A 56 -23.583 19.712 -10.402 1.00 44.53 N ATOM 935 CA MET A 56 -23.258 20.504 -11.583 1.00 55.14 C ATOM 936 C MET A 56 -22.855 19.604 -12.747 1.00 53.11 C ATOM 937 O MET A 56 -23.164 19.893 -13.904 1.00 72.41 O ATOM 938 CB MET A 56 -22.130 21.488 -11.270 1.00 10.50 C ATOM 939 CG MET A 56 -22.094 22.688 -12.203 1.00 4.23 C ATOM 940 SD MET A 56 -23.296 23.954 -11.753 1.00 51.21 S ATOM 941 CE MET A 56 -24.004 24.332 -13.354 1.00 55.22 C ATOM 0 H MET A 56 -23.009 19.919 -9.584 1.00 44.53 H new ATOM 0 HA MET A 56 -24.148 21.063 -11.870 1.00 55.14 H new ATOM 0 HB2 MET A 56 -22.239 21.839 -10.244 1.00 10.50 H new ATOM 0 HB3 MET A 56 -21.176 20.964 -11.328 1.00 10.50 H new ATOM 0 HG2 MET A 56 -21.094 23.122 -12.192 1.00 4.23 H new ATOM 0 HG3 MET A 56 -22.287 22.356 -13.223 1.00 4.23 H new ATOM 0 HE1 MET A 56 -24.767 25.102 -13.242 1.00 55.22 H new ATOM 0 HE2 MET A 56 -23.221 24.692 -14.022 1.00 55.22 H new ATOM 0 HE3 MET A 56 -24.455 23.433 -13.774 1.00 55.22 H new ATOM 951 N LEU A 57 -22.164 18.514 -12.434 1.00 31.20 N ATOM 952 CA LEU A 57 -21.718 17.571 -13.454 1.00 52.33 C ATOM 953 C LEU A 57 -22.908 16.895 -14.128 1.00 21.22 C ATOM 954 O LEU A 57 -22.984 16.827 -15.355 1.00 33.04 O ATOM 955 CB LEU A 57 -20.800 16.516 -12.835 1.00 70.14 C ATOM 956 CG LEU A 57 -19.872 15.782 -13.804 1.00 74.13 C ATOM 957 CD1 LEU A 57 -18.623 15.298 -13.084 1.00 51.45 C ATOM 958 CD2 LEU A 57 -20.599 14.615 -14.458 1.00 1.24 C ATOM 0 H LEU A 57 -21.900 18.261 -11.482 1.00 31.20 H new ATOM 0 HA LEU A 57 -21.164 18.127 -14.210 1.00 52.33 H new ATOM 0 HB2 LEU A 57 -20.188 16.998 -12.072 1.00 70.14 H new ATOM 0 HB3 LEU A 57 -21.420 15.777 -12.327 1.00 70.14 H new ATOM 0 HG LEU A 57 -19.569 16.479 -14.585 1.00 74.13 H new ATOM 0 HD11 LEU A 57 -17.975 14.778 -13.789 1.00 51.45 H new ATOM 0 HD12 LEU A 57 -18.091 16.152 -12.664 1.00 51.45 H new ATOM 0 HD13 LEU A 57 -18.906 14.617 -12.282 1.00 51.45 H new ATOM 0 HD21 LEU A 57 -19.924 14.104 -15.144 1.00 1.24 H new ATOM 0 HD22 LEU A 57 -20.932 13.917 -13.690 1.00 1.24 H new ATOM 0 HD23 LEU A 57 -21.463 14.987 -15.009 1.00 1.24 H new ATOM 970 N VAL A 58 -23.836 16.397 -13.317 1.00 31.12 N ATOM 971 CA VAL A 58 -25.024 15.729 -13.834 1.00 33.41 C ATOM 972 C VAL A 58 -25.847 16.669 -14.707 1.00 74.22 C ATOM 973 O VAL A 58 -26.231 16.318 -15.823 1.00 4.41 O ATOM 974 CB VAL A 58 -25.911 15.198 -12.692 1.00 74.22 C ATOM 975 CG1 VAL A 58 -27.177 14.564 -13.249 1.00 41.24 C ATOM 976 CG2 VAL A 58 -25.140 14.204 -11.837 1.00 10.45 C ATOM 0 H VAL A 58 -23.788 16.444 -12.299 1.00 31.12 H new ATOM 0 HA VAL A 58 -24.678 14.889 -14.436 1.00 33.41 H new ATOM 0 HB VAL A 58 -26.201 16.038 -12.061 1.00 74.22 H new ATOM 0 HG11 VAL A 58 -27.791 14.195 -12.427 1.00 41.24 H new ATOM 0 HG12 VAL A 58 -27.738 15.308 -13.815 1.00 41.24 H new ATOM 0 HG13 VAL A 58 -26.911 13.735 -13.904 1.00 41.24 H new ATOM 0 HG21 VAL A 58 -25.782 13.839 -11.035 1.00 10.45 H new ATOM 0 HG22 VAL A 58 -24.819 13.365 -12.455 1.00 10.45 H new ATOM 0 HG23 VAL A 58 -24.266 14.694 -11.408 1.00 10.45 H new ATOM 986 N GLN A 59 -26.115 17.864 -14.192 1.00 2.34 N ATOM 987 CA GLN A 59 -26.893 18.855 -14.925 1.00 51.41 C ATOM 988 C GLN A 59 -26.230 19.191 -16.257 1.00 11.11 C ATOM 989 O GLN A 59 -26.907 19.445 -17.253 1.00 73.24 O ATOM 990 CB GLN A 59 -27.058 20.126 -14.089 1.00 61.13 C ATOM 991 CG GLN A 59 -28.244 20.980 -14.507 1.00 72.44 C ATOM 992 CD GLN A 59 -29.171 21.297 -13.351 1.00 11.23 C ATOM 993 OE1 GLN A 59 -30.241 20.703 -13.216 1.00 71.02 O ATOM 994 NE2 GLN A 59 -28.764 22.239 -12.507 1.00 73.31 N ATOM 0 H GLN A 59 -25.805 18.170 -13.270 1.00 2.34 H new ATOM 0 HA GLN A 59 -27.877 18.431 -15.126 1.00 51.41 H new ATOM 0 HB2 GLN A 59 -27.172 19.849 -13.041 1.00 61.13 H new ATOM 0 HB3 GLN A 59 -26.148 20.721 -14.164 1.00 61.13 H new ATOM 0 HG2 GLN A 59 -27.881 21.911 -14.942 1.00 72.44 H new ATOM 0 HG3 GLN A 59 -28.804 20.461 -15.285 1.00 72.44 H new ATOM 0 HE21 GLN A 59 -27.870 22.706 -12.657 1.00 73.31 H new ATOM 0 HE22 GLN A 59 -29.346 22.495 -11.709 1.00 73.31 H new ATOM 1003 N LYS A 60 -24.901 19.191 -16.267 1.00 55.33 N ATOM 1004 CA LYS A 60 -24.145 19.495 -17.476 1.00 73.25 C ATOM 1005 C LYS A 60 -24.233 18.346 -18.476 1.00 23.33 C ATOM 1006 O LYS A 60 -24.260 18.564 -19.687 1.00 63.11 O ATOM 1007 CB LYS A 60 -22.681 19.774 -17.130 1.00 61.44 C ATOM 1008 CG LYS A 60 -22.327 21.251 -17.127 1.00 71.35 C ATOM 1009 CD LYS A 60 -22.222 21.802 -18.540 1.00 22.34 C ATOM 1010 CE LYS A 60 -21.826 23.270 -18.537 1.00 11.32 C ATOM 1011 NZ LYS A 60 -22.763 24.096 -17.725 1.00 25.54 N ATOM 0 H LYS A 60 -24.325 18.984 -15.451 1.00 55.33 H new ATOM 0 HA LYS A 60 -24.579 20.384 -17.933 1.00 73.25 H new ATOM 0 HB2 LYS A 60 -22.462 19.355 -16.148 1.00 61.44 H new ATOM 0 HB3 LYS A 60 -22.042 19.257 -17.847 1.00 61.44 H new ATOM 0 HG2 LYS A 60 -23.084 21.807 -16.574 1.00 71.35 H new ATOM 0 HG3 LYS A 60 -21.381 21.398 -16.607 1.00 71.35 H new ATOM 0 HD2 LYS A 60 -21.487 21.227 -19.102 1.00 22.34 H new ATOM 0 HD3 LYS A 60 -23.178 21.683 -19.050 1.00 22.34 H new ATOM 0 HE2 LYS A 60 -20.815 23.373 -18.142 1.00 11.32 H new ATOM 0 HE3 LYS A 60 -21.807 23.643 -19.561 1.00 11.32 H new ATOM 0 HZ1 LYS A 60 -22.574 25.104 -17.896 1.00 25.54 H new ATOM 0 HZ2 LYS A 60 -23.743 23.877 -17.996 1.00 25.54 H new ATOM 0 HZ3 LYS A 60 -22.627 23.885 -16.716 1.00 25.54 H new ATOM 1025 N PHE A 61 -24.278 17.122 -17.960 1.00 70.44 N ATOM 1026 CA PHE A 61 -24.363 15.938 -18.808 1.00 31.01 C ATOM 1027 C PHE A 61 -25.774 15.767 -19.363 1.00 40.15 C ATOM 1028 O PHE A 61 -26.015 14.926 -20.229 1.00 4.42 O ATOM 1029 CB PHE A 61 -23.959 14.690 -18.020 1.00 5.31 C ATOM 1030 CG PHE A 61 -22.947 13.835 -18.729 1.00 12.53 C ATOM 1031 CD1 PHE A 61 -23.344 12.932 -19.701 1.00 60.02 C ATOM 1032 CD2 PHE A 61 -21.600 13.935 -18.422 1.00 4.20 C ATOM 1033 CE1 PHE A 61 -22.416 12.144 -20.356 1.00 2.03 C ATOM 1034 CE2 PHE A 61 -20.667 13.150 -19.073 1.00 40.33 C ATOM 1035 CZ PHE A 61 -21.076 12.253 -20.040 1.00 64.34 C ATOM 0 H PHE A 61 -24.257 16.924 -16.960 1.00 70.44 H new ATOM 0 HA PHE A 61 -23.676 16.070 -19.644 1.00 31.01 H new ATOM 0 HB2 PHE A 61 -23.553 14.995 -17.055 1.00 5.31 H new ATOM 0 HB3 PHE A 61 -24.849 14.094 -17.818 1.00 5.31 H new ATOM 0 HD1 PHE A 61 -24.391 12.842 -19.950 1.00 60.02 H new ATOM 0 HD2 PHE A 61 -21.275 14.634 -17.666 1.00 4.20 H new ATOM 0 HE1 PHE A 61 -22.738 11.445 -21.113 1.00 2.03 H new ATOM 0 HE2 PHE A 61 -19.619 13.238 -18.826 1.00 40.33 H new ATOM 0 HZ PHE A 61 -20.349 11.637 -20.549 1.00 64.34 H new ATOM 1045 N GLY A 62 -26.704 16.572 -18.858 1.00 72.40 N ATOM 1046 CA GLY A 62 -28.080 16.494 -19.314 1.00 63.22 C ATOM 1047 C GLY A 62 -28.968 15.733 -18.350 1.00 12.32 C ATOM 1048 O GLY A 62 -29.971 15.144 -18.751 1.00 43.14 O ATOM 0 H GLY A 62 -26.529 17.277 -18.141 1.00 72.40 H new ATOM 0 HA2 GLY A 62 -28.473 17.502 -19.447 1.00 63.22 H new ATOM 0 HA3 GLY A 62 -28.109 16.009 -20.290 1.00 63.22 H new ATOM 1052 N GLY A 63 -28.599 15.744 -17.073 1.00 2.55 N ATOM 1053 CA GLY A 63 -29.379 15.046 -16.068 1.00 74.54 C ATOM 1054 C GLY A 63 -29.083 13.559 -16.035 1.00 10.44 C ATOM 1055 O GLY A 63 -28.683 12.976 -17.042 1.00 12.41 O ATOM 0 H GLY A 63 -27.773 16.224 -16.716 1.00 2.55 H new ATOM 0 HA2 GLY A 63 -29.172 15.476 -15.088 1.00 74.54 H new ATOM 0 HA3 GLY A 63 -30.440 15.198 -16.266 1.00 74.54 H new ATOM 1059 N ALA A 64 -29.278 12.945 -14.872 1.00 42.04 N ATOM 1060 CA ALA A 64 -29.029 11.518 -14.712 1.00 31.24 C ATOM 1061 C ALA A 64 -29.745 10.711 -15.789 1.00 73.12 C ATOM 1062 O ALA A 64 -29.262 9.663 -16.218 1.00 22.14 O ATOM 1063 CB ALA A 64 -29.465 11.059 -13.328 1.00 74.42 C ATOM 0 H ALA A 64 -29.607 13.413 -14.028 1.00 42.04 H new ATOM 0 HA ALA A 64 -27.958 11.347 -14.820 1.00 31.24 H new ATOM 0 HB1 ALA A 64 -29.274 9.991 -13.222 1.00 74.42 H new ATOM 0 HB2 ALA A 64 -28.904 11.606 -12.570 1.00 74.42 H new ATOM 0 HB3 ALA A 64 -30.530 11.251 -13.200 1.00 74.42 H new ATOM 1069 N ASP A 65 -30.900 11.205 -16.223 1.00 3.25 N ATOM 1070 CA ASP A 65 -31.683 10.530 -17.251 1.00 23.11 C ATOM 1071 C ASP A 65 -30.908 10.456 -18.563 1.00 50.40 C ATOM 1072 O ASP A 65 -30.987 9.464 -19.286 1.00 31.41 O ATOM 1073 CB ASP A 65 -33.012 11.255 -17.469 1.00 5.13 C ATOM 1074 CG ASP A 65 -33.998 11.007 -16.344 1.00 45.01 C ATOM 1075 OD1 ASP A 65 -33.569 10.996 -15.171 1.00 42.04 O ATOM 1076 OD2 ASP A 65 -35.198 10.823 -16.637 1.00 2.14 O ATOM 0 H ASP A 65 -31.314 12.071 -15.878 1.00 3.25 H new ATOM 0 HA ASP A 65 -31.884 9.514 -16.911 1.00 23.11 H new ATOM 0 HB2 ASP A 65 -32.828 12.326 -17.558 1.00 5.13 H new ATOM 0 HB3 ASP A 65 -33.451 10.928 -18.412 1.00 5.13 H new ATOM 1081 N GLN A 66 -30.161 11.514 -18.864 1.00 14.15 N ATOM 1082 CA GLN A 66 -29.374 11.569 -20.090 1.00 13.43 C ATOM 1083 C GLN A 66 -28.221 10.573 -20.042 1.00 21.44 C ATOM 1084 O GLN A 66 -27.880 9.952 -21.049 1.00 54.30 O ATOM 1085 CB GLN A 66 -28.833 12.983 -20.310 1.00 53.12 C ATOM 1086 CG GLN A 66 -27.860 13.087 -21.473 1.00 5.42 C ATOM 1087 CD GLN A 66 -27.956 14.415 -22.198 1.00 11.44 C ATOM 1088 OE1 GLN A 66 -28.998 15.072 -22.178 1.00 63.15 O ATOM 1089 NE2 GLN A 66 -26.868 14.819 -22.842 1.00 65.12 N ATOM 0 H GLN A 66 -30.085 12.344 -18.276 1.00 14.15 H new ATOM 0 HA GLN A 66 -30.025 11.303 -20.922 1.00 13.43 H new ATOM 0 HB2 GLN A 66 -29.669 13.660 -20.485 1.00 53.12 H new ATOM 0 HB3 GLN A 66 -28.336 13.319 -19.400 1.00 53.12 H new ATOM 0 HG2 GLN A 66 -26.843 12.952 -21.104 1.00 5.42 H new ATOM 0 HG3 GLN A 66 -28.054 12.278 -22.177 1.00 5.42 H new ATOM 0 HE21 GLN A 66 -26.026 14.243 -22.832 1.00 65.12 H new ATOM 0 HE22 GLN A 66 -26.874 15.705 -23.347 1.00 65.12 H new ATOM 1098 N VAL A 67 -27.622 10.424 -18.864 1.00 75.10 N ATOM 1099 CA VAL A 67 -26.507 9.502 -18.684 1.00 74.12 C ATOM 1100 C VAL A 67 -26.961 8.055 -18.840 1.00 24.45 C ATOM 1101 O VAL A 67 -26.242 7.223 -19.394 1.00 65.41 O ATOM 1102 CB VAL A 67 -25.851 9.677 -17.302 1.00 14.43 C ATOM 1103 CG1 VAL A 67 -24.576 8.853 -17.207 1.00 53.31 C ATOM 1104 CG2 VAL A 67 -25.568 11.147 -17.030 1.00 24.12 C ATOM 0 H VAL A 67 -27.891 10.930 -18.020 1.00 75.10 H new ATOM 0 HA VAL A 67 -25.775 9.736 -19.457 1.00 74.12 H new ATOM 0 HB VAL A 67 -26.544 9.317 -16.542 1.00 14.43 H new ATOM 0 HG11 VAL A 67 -24.127 8.990 -16.223 1.00 53.31 H new ATOM 0 HG12 VAL A 67 -24.812 7.799 -17.355 1.00 53.31 H new ATOM 0 HG13 VAL A 67 -23.874 9.179 -17.975 1.00 53.31 H new ATOM 0 HG21 VAL A 67 -25.104 11.253 -16.049 1.00 24.12 H new ATOM 0 HG22 VAL A 67 -24.894 11.535 -17.794 1.00 24.12 H new ATOM 0 HG23 VAL A 67 -26.503 11.708 -17.052 1.00 24.12 H new ATOM 1114 N THR A 68 -28.159 7.759 -18.346 1.00 53.22 N ATOM 1115 CA THR A 68 -28.709 6.412 -18.429 1.00 52.12 C ATOM 1116 C THR A 68 -29.354 6.164 -19.788 1.00 43.12 C ATOM 1117 O THR A 68 -29.402 5.030 -20.265 1.00 51.22 O ATOM 1118 CB THR A 68 -29.754 6.163 -17.325 1.00 60.21 C ATOM 1119 OG1 THR A 68 -30.233 4.816 -17.400 1.00 34.44 O ATOM 1120 CG2 THR A 68 -30.921 7.130 -17.456 1.00 70.32 C ATOM 0 H THR A 68 -28.767 8.435 -17.884 1.00 53.22 H new ATOM 0 HA THR A 68 -27.876 5.722 -18.294 1.00 52.12 H new ATOM 0 HB THR A 68 -29.276 6.325 -16.359 1.00 60.21 H new ATOM 0 HG1 THR A 68 -30.896 4.665 -16.694 1.00 34.44 H new ATOM 0 HG21 THR A 68 -31.646 6.935 -16.666 1.00 70.32 H new ATOM 0 HG22 THR A 68 -30.557 8.154 -17.370 1.00 70.32 H new ATOM 0 HG23 THR A 68 -31.398 6.995 -18.427 1.00 70.32 H new ATOM 1128 N ARG A 69 -29.847 7.231 -20.408 1.00 12.55 N ATOM 1129 CA ARG A 69 -30.489 7.129 -21.712 1.00 75.23 C ATOM 1130 C ARG A 69 -29.563 6.458 -22.723 1.00 14.41 C ATOM 1131 O ARG A 69 -29.989 5.604 -23.501 1.00 52.10 O ATOM 1132 CB ARG A 69 -30.893 8.516 -22.216 1.00 73.43 C ATOM 1133 CG ARG A 69 -32.397 8.730 -22.270 1.00 70.02 C ATOM 1134 CD ARG A 69 -32.996 8.159 -23.546 1.00 22.31 C ATOM 1135 NE ARG A 69 -34.452 8.078 -23.478 1.00 74.53 N ATOM 1136 CZ ARG A 69 -35.105 7.184 -22.743 1.00 54.32 C ATOM 1137 NH1 ARG A 69 -34.435 6.301 -22.017 1.00 5.24 N ATOM 1138 NH2 ARG A 69 -36.432 7.174 -22.734 1.00 32.44 N ATOM 0 H ARG A 69 -29.814 8.177 -20.027 1.00 12.55 H new ATOM 0 HA ARG A 69 -31.383 6.516 -21.601 1.00 75.23 H new ATOM 0 HB2 ARG A 69 -30.450 9.272 -21.568 1.00 73.43 H new ATOM 0 HB3 ARG A 69 -30.477 8.667 -23.212 1.00 73.43 H new ATOM 0 HG2 ARG A 69 -32.864 8.259 -21.405 1.00 70.02 H new ATOM 0 HG3 ARG A 69 -32.616 9.796 -22.209 1.00 70.02 H new ATOM 0 HD2 ARG A 69 -32.707 8.782 -24.393 1.00 22.31 H new ATOM 0 HD3 ARG A 69 -32.586 7.165 -23.726 1.00 22.31 H new ATOM 0 HE ARG A 69 -34.998 8.744 -24.025 1.00 74.53 H new ATOM 0 HH11 ARG A 69 -33.415 6.306 -22.021 1.00 5.24 H new ATOM 0 HH12 ARG A 69 -34.939 5.616 -21.454 1.00 5.24 H new ATOM 0 HH21 ARG A 69 -36.951 7.853 -23.291 1.00 32.44 H new ATOM 0 HH22 ARG A 69 -36.933 6.488 -22.170 1.00 32.44 H new ATOM 1152 N THR A 70 -28.294 6.852 -22.706 1.00 65.31 N ATOM 1153 CA THR A 70 -27.308 6.291 -23.621 1.00 65.12 C ATOM 1154 C THR A 70 -26.499 5.188 -22.949 1.00 64.50 C ATOM 1155 O THR A 70 -25.596 4.611 -23.555 1.00 72.33 O ATOM 1156 CB THR A 70 -26.344 7.374 -24.141 1.00 42.24 C ATOM 1157 OG1 THR A 70 -25.721 8.046 -23.041 1.00 33.35 O ATOM 1158 CG2 THR A 70 -27.082 8.385 -25.007 1.00 23.43 C ATOM 0 H THR A 70 -27.925 7.558 -22.069 1.00 65.31 H new ATOM 0 HA THR A 70 -27.860 5.872 -24.462 1.00 65.12 H new ATOM 0 HB THR A 70 -25.580 6.887 -24.748 1.00 42.24 H new ATOM 0 HG1 THR A 70 -25.109 8.732 -23.381 1.00 33.35 H new ATOM 0 HG21 THR A 70 -26.381 9.140 -25.363 1.00 23.43 H new ATOM 0 HG22 THR A 70 -27.530 7.875 -25.860 1.00 23.43 H new ATOM 0 HG23 THR A 70 -27.865 8.865 -24.419 1.00 23.43 H new ATOM 1166 N GLN A 71 -26.828 4.899 -21.694 1.00 73.02 N ATOM 1167 CA GLN A 71 -26.131 3.864 -20.940 1.00 71.35 C ATOM 1168 C GLN A 71 -24.653 4.206 -20.785 1.00 31.14 C ATOM 1169 O GLN A 71 -23.784 3.378 -21.053 1.00 64.54 O ATOM 1170 CB GLN A 71 -26.283 2.509 -21.634 1.00 23.20 C ATOM 1171 CG GLN A 71 -26.130 1.324 -20.694 1.00 62.21 C ATOM 1172 CD GLN A 71 -26.117 -0.004 -21.426 1.00 42.30 C ATOM 1173 OE1 GLN A 71 -26.144 -0.048 -22.656 1.00 44.23 O ATOM 1174 NE2 GLN A 71 -26.075 -1.096 -20.672 1.00 12.35 N ATOM 0 H GLN A 71 -27.573 5.367 -21.178 1.00 73.02 H new ATOM 0 HA GLN A 71 -26.578 3.809 -19.948 1.00 71.35 H new ATOM 0 HB2 GLN A 71 -27.263 2.461 -22.109 1.00 23.20 H new ATOM 0 HB3 GLN A 71 -25.540 2.431 -22.428 1.00 23.20 H new ATOM 0 HG2 GLN A 71 -25.205 1.431 -20.128 1.00 62.21 H new ATOM 0 HG3 GLN A 71 -26.947 1.329 -19.973 1.00 62.21 H new ATOM 0 HE21 GLN A 71 -26.054 -1.013 -19.656 1.00 12.35 H new ATOM 0 HE22 GLN A 71 -26.064 -2.017 -21.109 1.00 12.35 H new ATOM 1183 N GLN A 72 -24.377 5.431 -20.349 1.00 50.05 N ATOM 1184 CA GLN A 72 -23.004 5.882 -20.159 1.00 44.23 C ATOM 1185 C GLN A 72 -22.690 6.062 -18.678 1.00 22.24 C ATOM 1186 O GLN A 72 -21.618 6.546 -18.315 1.00 22.23 O ATOM 1187 CB GLN A 72 -22.768 7.197 -20.906 1.00 33.44 C ATOM 1188 CG GLN A 72 -21.570 7.159 -21.840 1.00 50.43 C ATOM 1189 CD GLN A 72 -21.006 8.538 -22.122 1.00 14.32 C ATOM 1190 OE1 GLN A 72 -21.652 9.366 -22.765 1.00 14.22 O ATOM 1191 NE2 GLN A 72 -19.795 8.793 -21.640 1.00 73.33 N ATOM 0 H GLN A 72 -25.086 6.128 -20.121 1.00 50.05 H new ATOM 0 HA GLN A 72 -22.339 5.119 -20.563 1.00 44.23 H new ATOM 0 HB2 GLN A 72 -23.660 7.443 -21.482 1.00 33.44 H new ATOM 0 HB3 GLN A 72 -22.627 7.998 -20.180 1.00 33.44 H new ATOM 0 HG2 GLN A 72 -20.792 6.535 -21.401 1.00 50.43 H new ATOM 0 HG3 GLN A 72 -21.862 6.691 -22.780 1.00 50.43 H new ATOM 0 HE21 GLN A 72 -19.295 8.077 -21.112 1.00 73.33 H new ATOM 0 HE22 GLN A 72 -19.365 9.704 -21.797 1.00 73.33 H new ATOM 1200 N TRP A 73 -23.631 5.669 -17.827 1.00 53.52 N ATOM 1201 CA TRP A 73 -23.455 5.788 -16.384 1.00 61.21 C ATOM 1202 C TRP A 73 -22.217 5.026 -15.923 1.00 13.22 C ATOM 1203 O TRP A 73 -21.505 5.469 -15.022 1.00 30.45 O ATOM 1204 CB TRP A 73 -24.693 5.265 -15.654 1.00 23.43 C ATOM 1205 CG TRP A 73 -24.517 5.188 -14.167 1.00 71.12 C ATOM 1206 CD1 TRP A 73 -24.283 6.229 -13.315 1.00 21.22 C ATOM 1207 CD2 TRP A 73 -24.560 4.007 -13.359 1.00 62.22 C ATOM 1208 NE1 TRP A 73 -24.177 5.766 -12.025 1.00 74.14 N ATOM 1209 CE2 TRP A 73 -24.344 4.406 -12.026 1.00 14.44 C ATOM 1210 CE3 TRP A 73 -24.761 2.651 -13.632 1.00 12.13 C ATOM 1211 CZ2 TRP A 73 -24.324 3.498 -10.971 1.00 22.12 C ATOM 1212 CZ3 TRP A 73 -24.740 1.751 -12.584 1.00 31.33 C ATOM 1213 CH2 TRP A 73 -24.524 2.177 -11.267 1.00 24.25 C ATOM 0 H TRP A 73 -24.524 5.265 -18.111 1.00 53.52 H new ATOM 0 HA TRP A 73 -23.320 6.843 -16.144 1.00 61.21 H new ATOM 0 HB2 TRP A 73 -25.540 5.913 -15.879 1.00 23.43 H new ATOM 0 HB3 TRP A 73 -24.939 4.274 -16.035 1.00 23.43 H new ATOM 0 HD1 TRP A 73 -24.194 7.264 -13.611 1.00 21.22 H new ATOM 0 HE1 TRP A 73 -24.002 6.341 -11.201 1.00 74.14 H new ATOM 0 HE3 TRP A 73 -24.930 2.313 -14.644 1.00 12.13 H new ATOM 0 HZ2 TRP A 73 -24.157 3.824 -9.955 1.00 22.12 H new ATOM 0 HZ3 TRP A 73 -24.893 0.701 -12.784 1.00 31.33 H new ATOM 0 HH2 TRP A 73 -24.515 1.449 -10.470 1.00 24.25 H new ATOM 1224 N SER A 74 -21.967 3.879 -16.546 1.00 42.32 N ATOM 1225 CA SER A 74 -20.816 3.054 -16.196 1.00 54.43 C ATOM 1226 C SER A 74 -19.512 3.783 -16.505 1.00 62.53 C ATOM 1227 O SER A 74 -18.563 3.739 -15.722 1.00 75.23 O ATOM 1228 CB SER A 74 -20.865 1.727 -16.955 1.00 24.43 C ATOM 1229 OG SER A 74 -20.585 1.915 -18.331 1.00 62.01 O ATOM 0 H SER A 74 -22.546 3.500 -17.295 1.00 42.32 H new ATOM 0 HA SER A 74 -20.854 2.853 -15.125 1.00 54.43 H new ATOM 0 HB2 SER A 74 -20.143 1.032 -16.526 1.00 24.43 H new ATOM 0 HB3 SER A 74 -21.850 1.275 -16.840 1.00 24.43 H new ATOM 0 HG SER A 74 -20.621 1.052 -18.793 1.00 62.01 H new ATOM 1235 N MET A 75 -19.472 4.452 -17.653 1.00 35.40 N ATOM 1236 CA MET A 75 -18.285 5.191 -18.066 1.00 31.30 C ATOM 1237 C MET A 75 -18.114 6.456 -17.231 1.00 33.31 C ATOM 1238 O MET A 75 -17.023 6.744 -16.739 1.00 13.12 O ATOM 1239 CB MET A 75 -18.374 5.553 -19.550 1.00 12.14 C ATOM 1240 CG MET A 75 -17.019 5.682 -20.226 1.00 70.32 C ATOM 1241 SD MET A 75 -17.103 5.412 -22.007 1.00 55.20 S ATOM 1242 CE MET A 75 -17.252 3.628 -22.073 1.00 2.51 C ATOM 0 H MET A 75 -20.248 4.497 -18.313 1.00 35.40 H new ATOM 0 HA MET A 75 -17.416 4.552 -17.907 1.00 31.30 H new ATOM 0 HB2 MET A 75 -18.958 4.791 -20.067 1.00 12.14 H new ATOM 0 HB3 MET A 75 -18.914 6.494 -19.654 1.00 12.14 H new ATOM 0 HG2 MET A 75 -16.613 6.675 -20.032 1.00 70.32 H new ATOM 0 HG3 MET A 75 -16.328 4.963 -19.786 1.00 70.32 H new ATOM 0 HE1 MET A 75 -17.083 3.286 -23.094 1.00 2.51 H new ATOM 0 HE2 MET A 75 -16.512 3.176 -21.412 1.00 2.51 H new ATOM 0 HE3 MET A 75 -18.252 3.334 -21.753 1.00 2.51 H new ATOM 1252 N VAL A 76 -19.199 7.208 -17.075 1.00 73.32 N ATOM 1253 CA VAL A 76 -19.169 8.442 -16.299 1.00 34.41 C ATOM 1254 C VAL A 76 -18.827 8.164 -14.839 1.00 42.55 C ATOM 1255 O VAL A 76 -17.962 8.820 -14.259 1.00 15.31 O ATOM 1256 CB VAL A 76 -20.519 9.180 -16.367 1.00 13.23 C ATOM 1257 CG1 VAL A 76 -20.436 10.514 -15.640 1.00 24.44 C ATOM 1258 CG2 VAL A 76 -20.946 9.378 -17.813 1.00 43.35 C ATOM 0 H VAL A 76 -20.110 6.984 -17.476 1.00 73.32 H new ATOM 0 HA VAL A 76 -18.396 9.073 -16.737 1.00 34.41 H new ATOM 0 HB VAL A 76 -21.272 8.569 -15.870 1.00 13.23 H new ATOM 0 HG11 VAL A 76 -21.399 11.021 -15.699 1.00 24.44 H new ATOM 0 HG12 VAL A 76 -20.179 10.343 -14.595 1.00 24.44 H new ATOM 0 HG13 VAL A 76 -19.670 11.135 -16.105 1.00 24.44 H new ATOM 0 HG21 VAL A 76 -21.902 9.901 -17.842 1.00 43.35 H new ATOM 0 HG22 VAL A 76 -20.194 9.968 -18.337 1.00 43.35 H new ATOM 0 HG23 VAL A 76 -21.049 8.407 -18.298 1.00 43.35 H new ATOM 1268 N ALA A 77 -19.510 7.188 -14.252 1.00 75.21 N ATOM 1269 CA ALA A 77 -19.277 6.822 -12.861 1.00 20.33 C ATOM 1270 C ALA A 77 -17.808 6.492 -12.619 1.00 2.42 C ATOM 1271 O ALA A 77 -17.255 6.818 -11.569 1.00 22.23 O ATOM 1272 CB ALA A 77 -20.155 5.642 -12.471 1.00 14.22 C ATOM 0 H ALA A 77 -20.230 6.636 -14.718 1.00 75.21 H new ATOM 0 HA ALA A 77 -19.538 7.677 -12.238 1.00 20.33 H new ATOM 0 HB1 ALA A 77 -19.970 5.380 -11.429 1.00 14.22 H new ATOM 0 HB2 ALA A 77 -21.204 5.911 -12.597 1.00 14.22 H new ATOM 0 HB3 ALA A 77 -19.921 4.788 -13.107 1.00 14.22 H new ATOM 1278 N GLN A 78 -17.183 5.845 -13.597 1.00 5.02 N ATOM 1279 CA GLN A 78 -15.777 5.471 -13.488 1.00 74.21 C ATOM 1280 C GLN A 78 -14.889 6.708 -13.411 1.00 60.00 C ATOM 1281 O GLN A 78 -13.847 6.696 -12.755 1.00 51.03 O ATOM 1282 CB GLN A 78 -15.365 4.605 -14.680 1.00 43.40 C ATOM 1283 CG GLN A 78 -14.058 3.859 -14.466 1.00 62.13 C ATOM 1284 CD GLN A 78 -12.997 4.237 -15.481 1.00 71.22 C ATOM 1285 OE1 GLN A 78 -11.946 4.771 -15.128 1.00 4.33 O ATOM 1286 NE2 GLN A 78 -13.268 3.960 -16.752 1.00 4.45 N ATOM 0 H GLN A 78 -17.627 5.569 -14.473 1.00 5.02 H new ATOM 0 HA GLN A 78 -15.649 4.898 -12.570 1.00 74.21 H new ATOM 0 HB2 GLN A 78 -16.156 3.884 -14.885 1.00 43.40 H new ATOM 0 HB3 GLN A 78 -15.273 5.237 -15.563 1.00 43.40 H new ATOM 0 HG2 GLN A 78 -13.686 4.066 -13.463 1.00 62.13 H new ATOM 0 HG3 GLN A 78 -14.243 2.786 -14.522 1.00 62.13 H new ATOM 0 HE21 GLN A 78 -14.152 3.516 -17.000 1.00 4.45 H new ATOM 0 HE22 GLN A 78 -12.592 4.191 -17.480 1.00 4.45 H new ATOM 1295 N ARG A 79 -15.308 7.774 -14.085 1.00 43.02 N ATOM 1296 CA ARG A 79 -14.549 9.019 -14.094 1.00 62.12 C ATOM 1297 C ARG A 79 -14.358 9.550 -12.676 1.00 71.53 C ATOM 1298 O ARG A 79 -13.272 10.002 -12.312 1.00 62.10 O ATOM 1299 CB ARG A 79 -15.259 10.068 -14.952 1.00 33.15 C ATOM 1300 CG ARG A 79 -14.351 10.741 -15.967 1.00 43.40 C ATOM 1301 CD ARG A 79 -14.103 9.848 -17.172 1.00 70.50 C ATOM 1302 NE ARG A 79 -15.212 9.888 -18.121 1.00 54.30 N ATOM 1303 CZ ARG A 79 -15.384 10.860 -19.010 1.00 43.30 C ATOM 1304 NH1 ARG A 79 -14.522 11.866 -19.072 1.00 12.35 N ATOM 1305 NH2 ARG A 79 -16.418 10.827 -19.840 1.00 52.03 N ATOM 0 H ARG A 79 -16.169 7.801 -14.632 1.00 43.02 H new ATOM 0 HA ARG A 79 -13.568 8.814 -14.522 1.00 62.12 H new ATOM 0 HB2 ARG A 79 -16.089 9.594 -15.477 1.00 33.15 H new ATOM 0 HB3 ARG A 79 -15.687 10.829 -14.300 1.00 33.15 H new ATOM 0 HG2 ARG A 79 -14.801 11.678 -16.294 1.00 43.40 H new ATOM 0 HG3 ARG A 79 -13.400 10.991 -15.496 1.00 43.40 H new ATOM 0 HD2 ARG A 79 -13.186 10.161 -17.672 1.00 70.50 H new ATOM 0 HD3 ARG A 79 -13.949 8.822 -16.837 1.00 70.50 H new ATOM 0 HE ARG A 79 -15.892 9.128 -18.100 1.00 54.30 H new ATOM 0 HH11 ARG A 79 -13.725 11.894 -18.436 1.00 12.35 H new ATOM 0 HH12 ARG A 79 -14.656 12.611 -19.755 1.00 12.35 H new ATOM 0 HH21 ARG A 79 -17.083 10.054 -19.796 1.00 52.03 H new ATOM 0 HH22 ARG A 79 -16.549 11.574 -20.522 1.00 52.03 H new ATOM 1319 N LEU A 80 -15.420 9.492 -11.881 1.00 34.32 N ATOM 1320 CA LEU A 80 -15.371 9.967 -10.502 1.00 63.34 C ATOM 1321 C LEU A 80 -15.139 8.810 -9.536 1.00 32.24 C ATOM 1322 O LEU A 80 -14.970 9.017 -8.334 1.00 50.45 O ATOM 1323 CB LEU A 80 -16.669 10.693 -10.145 1.00 60.33 C ATOM 1324 CG LEU A 80 -17.960 10.042 -10.642 1.00 74.03 C ATOM 1325 CD1 LEU A 80 -19.091 10.274 -9.652 1.00 3.42 C ATOM 1326 CD2 LEU A 80 -18.334 10.579 -12.016 1.00 42.22 C ATOM 0 H LEU A 80 -16.326 9.121 -12.167 1.00 34.32 H new ATOM 0 HA LEU A 80 -14.537 10.663 -10.413 1.00 63.34 H new ATOM 0 HB2 LEU A 80 -16.725 10.783 -9.060 1.00 60.33 H new ATOM 0 HB3 LEU A 80 -16.618 11.705 -10.546 1.00 60.33 H new ATOM 0 HG LEU A 80 -17.793 8.968 -10.726 1.00 74.03 H new ATOM 0 HD11 LEU A 80 -20.002 9.803 -10.023 1.00 3.42 H new ATOM 0 HD12 LEU A 80 -18.825 9.840 -8.688 1.00 3.42 H new ATOM 0 HD13 LEU A 80 -19.258 11.345 -9.535 1.00 3.42 H new ATOM 0 HD21 LEU A 80 -19.255 10.104 -12.354 1.00 42.22 H new ATOM 0 HD22 LEU A 80 -18.482 11.657 -11.957 1.00 42.22 H new ATOM 0 HD23 LEU A 80 -17.533 10.360 -12.722 1.00 42.22 H new ATOM 1338 N GLN A 81 -15.131 7.592 -10.069 1.00 12.41 N ATOM 1339 CA GLN A 81 -14.919 6.403 -9.253 1.00 24.12 C ATOM 1340 C GLN A 81 -16.040 6.235 -8.233 1.00 75.55 C ATOM 1341 O GLN A 81 -15.787 6.019 -7.048 1.00 14.33 O ATOM 1342 CB GLN A 81 -13.570 6.485 -8.536 1.00 20.03 C ATOM 1343 CG GLN A 81 -13.149 5.179 -7.881 1.00 45.32 C ATOM 1344 CD GLN A 81 -12.021 4.491 -8.625 1.00 3.24 C ATOM 1345 OE1 GLN A 81 -11.946 4.548 -9.852 1.00 63.54 O ATOM 1346 NE2 GLN A 81 -11.135 3.836 -7.883 1.00 12.32 N ATOM 0 H GLN A 81 -15.269 7.403 -11.062 1.00 12.41 H new ATOM 0 HA GLN A 81 -14.920 5.536 -9.913 1.00 24.12 H new ATOM 0 HB2 GLN A 81 -12.805 6.786 -9.252 1.00 20.03 H new ATOM 0 HB3 GLN A 81 -13.619 7.264 -7.775 1.00 20.03 H new ATOM 0 HG2 GLN A 81 -12.836 5.375 -6.855 1.00 45.32 H new ATOM 0 HG3 GLN A 81 -14.007 4.509 -7.830 1.00 45.32 H new ATOM 0 HE21 GLN A 81 -11.236 3.815 -6.868 1.00 12.32 H new ATOM 0 HE22 GLN A 81 -10.354 3.354 -8.328 1.00 12.32 H new ATOM 1355 N ILE A 82 -17.279 6.334 -8.703 1.00 15.22 N ATOM 1356 CA ILE A 82 -18.440 6.192 -7.832 1.00 4.12 C ATOM 1357 C ILE A 82 -19.028 4.788 -7.924 1.00 43.22 C ATOM 1358 O ILE A 82 -19.525 4.246 -6.937 1.00 42.12 O ATOM 1359 CB ILE A 82 -19.534 7.219 -8.179 1.00 63.24 C ATOM 1360 CG1 ILE A 82 -20.710 7.092 -7.209 1.00 23.31 C ATOM 1361 CG2 ILE A 82 -20.001 7.029 -9.615 1.00 34.14 C ATOM 1362 CD1 ILE A 82 -21.435 8.396 -6.965 1.00 11.45 C ATOM 0 H ILE A 82 -17.505 6.512 -9.682 1.00 15.22 H new ATOM 0 HA ILE A 82 -18.094 6.372 -6.814 1.00 4.12 H new ATOM 0 HB ILE A 82 -19.116 8.221 -8.083 1.00 63.24 H new ATOM 0 HG12 ILE A 82 -21.417 6.361 -7.601 1.00 23.31 H new ATOM 0 HG13 ILE A 82 -20.346 6.705 -6.258 1.00 23.31 H new ATOM 0 HG21 ILE A 82 -20.774 7.762 -9.846 1.00 34.14 H new ATOM 0 HG22 ILE A 82 -19.158 7.165 -10.293 1.00 34.14 H new ATOM 0 HG23 ILE A 82 -20.406 6.024 -9.736 1.00 34.14 H new ATOM 0 HD11 ILE A 82 -22.256 8.231 -6.268 1.00 11.45 H new ATOM 0 HD12 ILE A 82 -20.742 9.124 -6.543 1.00 11.45 H new ATOM 0 HD13 ILE A 82 -21.830 8.775 -7.908 1.00 11.45 H new ATOM 1374 N SER A 83 -18.966 4.204 -9.117 1.00 22.15 N ATOM 1375 CA SER A 83 -19.494 2.863 -9.339 1.00 11.00 C ATOM 1376 C SER A 83 -18.488 2.002 -10.097 1.00 75.12 C ATOM 1377 O SER A 83 -18.657 1.733 -11.287 1.00 35.44 O ATOM 1378 CB SER A 83 -20.811 2.933 -10.115 1.00 65.13 C ATOM 1379 OG SER A 83 -21.392 1.648 -10.251 1.00 25.53 O ATOM 0 H SER A 83 -18.556 4.638 -9.944 1.00 22.15 H new ATOM 0 HA SER A 83 -19.677 2.405 -8.367 1.00 11.00 H new ATOM 0 HB2 SER A 83 -21.505 3.597 -9.600 1.00 65.13 H new ATOM 0 HB3 SER A 83 -20.633 3.361 -11.101 1.00 65.13 H new ATOM 0 HG SER A 83 -22.326 1.740 -10.533 1.00 25.53 H new ATOM 1385 N ASP A 84 -17.442 1.573 -9.400 1.00 51.20 N ATOM 1386 CA ASP A 84 -16.409 0.742 -10.006 1.00 24.53 C ATOM 1387 C ASP A 84 -16.723 -0.739 -9.818 1.00 35.31 C ATOM 1388 O ASP A 84 -15.937 -1.482 -9.229 1.00 51.34 O ATOM 1389 CB ASP A 84 -15.042 1.066 -9.399 1.00 55.14 C ATOM 1390 CG ASP A 84 -14.343 2.200 -10.123 1.00 23.22 C ATOM 1391 OD1 ASP A 84 -15.021 3.188 -10.474 1.00 42.21 O ATOM 1392 OD2 ASP A 84 -13.117 2.099 -10.337 1.00 3.22 O ATOM 0 H ASP A 84 -17.287 1.787 -8.415 1.00 51.20 H new ATOM 0 HA ASP A 84 -16.385 0.958 -11.074 1.00 24.53 H new ATOM 0 HB2 ASP A 84 -15.167 1.331 -8.349 1.00 55.14 H new ATOM 0 HB3 ASP A 84 -14.413 0.176 -9.430 1.00 55.14 H new ATOM 1397 N TYR A 85 -17.878 -1.162 -10.321 1.00 12.45 N ATOM 1398 CA TYR A 85 -18.299 -2.553 -10.205 1.00 42.11 C ATOM 1399 C TYR A 85 -18.623 -2.906 -8.757 1.00 2.34 C ATOM 1400 O TYR A 85 -19.243 -2.121 -8.040 1.00 2.24 O ATOM 1401 CB TYR A 85 -17.207 -3.483 -10.736 1.00 73.34 C ATOM 1402 CG TYR A 85 -16.569 -2.998 -12.018 1.00 40.13 C ATOM 1403 CD1 TYR A 85 -17.348 -2.582 -13.091 1.00 71.00 C ATOM 1404 CD2 TYR A 85 -15.187 -2.956 -12.157 1.00 72.02 C ATOM 1405 CE1 TYR A 85 -16.769 -2.138 -14.264 1.00 75.45 C ATOM 1406 CE2 TYR A 85 -14.600 -2.512 -13.326 1.00 70.52 C ATOM 1407 CZ TYR A 85 -15.395 -2.105 -14.377 1.00 12.00 C ATOM 1408 OH TYR A 85 -14.814 -1.664 -15.544 1.00 10.13 O ATOM 0 H TYR A 85 -18.539 -0.561 -10.813 1.00 12.45 H new ATOM 0 HA TYR A 85 -19.202 -2.684 -10.802 1.00 42.11 H new ATOM 0 HB2 TYR A 85 -16.435 -3.594 -9.975 1.00 73.34 H new ATOM 0 HB3 TYR A 85 -17.634 -4.472 -10.904 1.00 73.34 H new ATOM 0 HD1 TYR A 85 -18.424 -2.606 -13.006 1.00 71.00 H new ATOM 0 HD2 TYR A 85 -14.561 -3.276 -11.337 1.00 72.02 H new ATOM 0 HE1 TYR A 85 -17.389 -1.818 -15.088 1.00 75.45 H new ATOM 0 HE2 TYR A 85 -13.524 -2.484 -13.416 1.00 70.52 H new ATOM 0 HH TYR A 85 -13.838 -1.703 -15.459 1.00 10.13 H new ATOM 1418 N GLN A 86 -18.198 -4.092 -8.334 1.00 44.11 N ATOM 1419 CA GLN A 86 -18.442 -4.550 -6.971 1.00 51.44 C ATOM 1420 C GLN A 86 -18.004 -3.498 -5.957 1.00 63.32 C ATOM 1421 O GLN A 86 -18.615 -3.351 -4.899 1.00 50.14 O ATOM 1422 CB GLN A 86 -17.704 -5.864 -6.712 1.00 73.34 C ATOM 1423 CG GLN A 86 -16.191 -5.725 -6.723 1.00 44.24 C ATOM 1424 CD GLN A 86 -15.481 -7.049 -6.521 1.00 0.04 C ATOM 1425 OE1 GLN A 86 -14.853 -7.577 -7.439 1.00 34.21 O ATOM 1426 NE2 GLN A 86 -15.577 -7.593 -5.313 1.00 64.32 N ATOM 0 H GLN A 86 -17.683 -4.753 -8.915 1.00 44.11 H new ATOM 0 HA GLN A 86 -19.513 -4.715 -6.856 1.00 51.44 H new ATOM 0 HB2 GLN A 86 -18.017 -6.262 -5.747 1.00 73.34 H new ATOM 0 HB3 GLN A 86 -17.999 -6.592 -7.468 1.00 73.34 H new ATOM 0 HG2 GLN A 86 -15.877 -5.290 -7.672 1.00 44.24 H new ATOM 0 HG3 GLN A 86 -15.888 -5.031 -5.939 1.00 44.24 H new ATOM 0 HE21 GLN A 86 -16.108 -7.120 -4.582 1.00 64.32 H new ATOM 0 HE22 GLN A 86 -15.120 -8.483 -5.117 1.00 64.32 H new ATOM 1435 N GLN A 87 -16.941 -2.771 -6.288 1.00 33.23 N ATOM 1436 CA GLN A 87 -16.421 -1.734 -5.404 1.00 71.42 C ATOM 1437 C GLN A 87 -17.500 -0.707 -5.076 1.00 64.13 C ATOM 1438 O GLN A 87 -17.444 -0.041 -4.041 1.00 63.44 O ATOM 1439 CB GLN A 87 -15.219 -1.042 -6.049 1.00 12.43 C ATOM 1440 CG GLN A 87 -14.075 -1.988 -6.377 1.00 14.34 C ATOM 1441 CD GLN A 87 -12.803 -1.647 -5.626 1.00 30.31 C ATOM 1442 OE1 GLN A 87 -12.558 -2.158 -4.532 1.00 54.43 O ATOM 1443 NE2 GLN A 87 -11.984 -0.781 -6.211 1.00 11.13 N ATOM 0 H GLN A 87 -16.424 -2.881 -7.160 1.00 33.23 H new ATOM 0 HA GLN A 87 -16.103 -2.208 -4.475 1.00 71.42 H new ATOM 0 HB2 GLN A 87 -15.544 -0.547 -6.964 1.00 12.43 H new ATOM 0 HB3 GLN A 87 -14.855 -0.264 -5.378 1.00 12.43 H new ATOM 0 HG2 GLN A 87 -14.372 -3.009 -6.136 1.00 14.34 H new ATOM 0 HG3 GLN A 87 -13.879 -1.957 -7.449 1.00 14.34 H new ATOM 0 HE21 GLN A 87 -12.227 -0.382 -7.118 1.00 11.13 H new ATOM 0 HE22 GLN A 87 -11.112 -0.515 -5.754 1.00 11.13 H new ATOM 1452 N LEU A 88 -18.480 -0.583 -5.964 1.00 12.43 N ATOM 1453 CA LEU A 88 -19.573 0.365 -5.769 1.00 64.50 C ATOM 1454 C LEU A 88 -20.231 0.165 -4.408 1.00 24.55 C ATOM 1455 O LEU A 88 -20.745 1.110 -3.812 1.00 4.45 O ATOM 1456 CB LEU A 88 -20.613 0.208 -6.879 1.00 54.11 C ATOM 1457 CG LEU A 88 -21.941 0.935 -6.662 1.00 31.35 C ATOM 1458 CD1 LEU A 88 -21.705 2.417 -6.419 1.00 43.31 C ATOM 1459 CD2 LEU A 88 -22.864 0.728 -7.854 1.00 21.23 C ATOM 0 H LEU A 88 -18.541 -1.126 -6.825 1.00 12.43 H new ATOM 0 HA LEU A 88 -19.159 1.373 -5.807 1.00 64.50 H new ATOM 0 HB2 LEU A 88 -20.176 0.563 -7.812 1.00 54.11 H new ATOM 0 HB3 LEU A 88 -20.820 -0.854 -7.008 1.00 54.11 H new ATOM 0 HG LEU A 88 -22.422 0.515 -5.779 1.00 31.35 H new ATOM 0 HD11 LEU A 88 -22.661 2.918 -6.267 1.00 43.31 H new ATOM 0 HD12 LEU A 88 -21.083 2.546 -5.533 1.00 43.31 H new ATOM 0 HD13 LEU A 88 -21.201 2.852 -7.282 1.00 43.31 H new ATOM 0 HD21 LEU A 88 -23.804 1.252 -7.682 1.00 21.23 H new ATOM 0 HD22 LEU A 88 -22.390 1.120 -8.754 1.00 21.23 H new ATOM 0 HD23 LEU A 88 -23.061 -0.337 -7.981 1.00 21.23 H new ATOM 1471 N GLU A 89 -20.208 -1.073 -3.921 1.00 53.52 N ATOM 1472 CA GLU A 89 -20.802 -1.395 -2.629 1.00 22.30 C ATOM 1473 C GLU A 89 -20.007 -0.761 -1.491 1.00 41.24 C ATOM 1474 O GLU A 89 -20.579 -0.267 -0.520 1.00 53.31 O ATOM 1475 CB GLU A 89 -20.866 -2.912 -2.437 1.00 11.01 C ATOM 1476 CG GLU A 89 -21.986 -3.362 -1.514 1.00 55.33 C ATOM 1477 CD GLU A 89 -22.015 -4.865 -1.321 1.00 23.51 C ATOM 1478 OE1 GLU A 89 -21.387 -5.580 -2.129 1.00 65.23 O ATOM 1479 OE2 GLU A 89 -22.665 -5.327 -0.360 1.00 34.20 O ATOM 0 H GLU A 89 -19.785 -1.867 -4.401 1.00 53.52 H new ATOM 0 HA GLU A 89 -21.814 -0.990 -2.612 1.00 22.30 H new ATOM 0 HB2 GLU A 89 -20.995 -3.388 -3.409 1.00 11.01 H new ATOM 0 HB3 GLU A 89 -19.914 -3.259 -2.036 1.00 11.01 H new ATOM 0 HG2 GLU A 89 -21.870 -2.877 -0.545 1.00 55.33 H new ATOM 0 HG3 GLU A 89 -22.942 -3.033 -1.922 1.00 55.33 H new ATOM 1486 N SER A 90 -18.684 -0.779 -1.620 1.00 30.24 N ATOM 1487 CA SER A 90 -17.809 -0.210 -0.601 1.00 73.01 C ATOM 1488 C SER A 90 -17.921 1.311 -0.578 1.00 45.40 C ATOM 1489 O SER A 90 -17.994 1.923 0.488 1.00 12.02 O ATOM 1490 CB SER A 90 -16.358 -0.623 -0.856 1.00 54.10 C ATOM 1491 OG SER A 90 -16.259 -1.458 -1.996 1.00 62.34 O ATOM 0 H SER A 90 -18.195 -1.181 -2.420 1.00 30.24 H new ATOM 0 HA SER A 90 -18.123 -0.595 0.369 1.00 73.01 H new ATOM 0 HB2 SER A 90 -15.743 0.266 -0.998 1.00 54.10 H new ATOM 0 HB3 SER A 90 -15.967 -1.146 0.017 1.00 54.10 H new ATOM 0 HG SER A 90 -16.519 -0.953 -2.795 1.00 62.34 H new ATOM 1497 N ILE A 91 -17.932 1.915 -1.761 1.00 42.45 N ATOM 1498 CA ILE A 91 -18.035 3.365 -1.878 1.00 30.31 C ATOM 1499 C ILE A 91 -19.399 3.858 -1.408 1.00 11.23 C ATOM 1500 O ILE A 91 -19.499 4.872 -0.716 1.00 35.43 O ATOM 1501 CB ILE A 91 -17.805 3.831 -3.328 1.00 22.23 C ATOM 1502 CG1 ILE A 91 -16.452 3.331 -3.838 1.00 70.45 C ATOM 1503 CG2 ILE A 91 -17.882 5.348 -3.415 1.00 31.31 C ATOM 1504 CD1 ILE A 91 -16.539 2.594 -5.157 1.00 22.23 C ATOM 0 H ILE A 91 -17.871 1.423 -2.653 1.00 42.45 H new ATOM 0 HA ILE A 91 -17.258 3.789 -1.242 1.00 30.31 H new ATOM 0 HB ILE A 91 -18.588 3.410 -3.958 1.00 22.23 H new ATOM 0 HG12 ILE A 91 -15.778 4.180 -3.949 1.00 70.45 H new ATOM 0 HG13 ILE A 91 -16.012 2.671 -3.090 1.00 70.45 H new ATOM 0 HG21 ILE A 91 -17.717 5.662 -4.446 1.00 31.31 H new ATOM 0 HG22 ILE A 91 -18.866 5.682 -3.087 1.00 31.31 H new ATOM 0 HG23 ILE A 91 -17.117 5.788 -2.775 1.00 31.31 H new ATOM 0 HD11 ILE A 91 -15.543 2.268 -5.458 1.00 22.23 H new ATOM 0 HD12 ILE A 91 -17.187 1.725 -5.046 1.00 22.23 H new ATOM 0 HD13 ILE A 91 -16.949 3.258 -5.918 1.00 22.23 H new ATOM 1516 N TYR A 92 -20.447 3.134 -1.786 1.00 45.54 N ATOM 1517 CA TYR A 92 -21.806 3.499 -1.404 1.00 64.32 C ATOM 1518 C TYR A 92 -22.000 3.373 0.104 1.00 44.01 C ATOM 1519 O TYR A 92 -22.618 4.230 0.736 1.00 42.13 O ATOM 1520 CB TYR A 92 -22.818 2.615 -2.135 1.00 63.12 C ATOM 1521 CG TYR A 92 -24.220 3.180 -2.143 1.00 72.34 C ATOM 1522 CD1 TYR A 92 -24.520 4.338 -2.849 1.00 42.32 C ATOM 1523 CD2 TYR A 92 -25.246 2.554 -1.446 1.00 32.11 C ATOM 1524 CE1 TYR A 92 -25.800 4.858 -2.859 1.00 4.13 C ATOM 1525 CE2 TYR A 92 -26.529 3.066 -1.451 1.00 33.20 C ATOM 1526 CZ TYR A 92 -26.801 4.218 -2.158 1.00 41.34 C ATOM 1527 OH TYR A 92 -28.077 4.732 -2.167 1.00 14.14 O ATOM 0 H TYR A 92 -20.381 2.291 -2.357 1.00 45.54 H new ATOM 0 HA TYR A 92 -21.970 4.539 -1.688 1.00 64.32 H new ATOM 0 HB2 TYR A 92 -22.487 2.472 -3.164 1.00 63.12 H new ATOM 0 HB3 TYR A 92 -22.834 1.631 -1.666 1.00 63.12 H new ATOM 0 HD1 TYR A 92 -23.739 4.841 -3.400 1.00 42.32 H new ATOM 0 HD2 TYR A 92 -25.037 1.652 -0.891 1.00 32.11 H new ATOM 0 HE1 TYR A 92 -26.016 5.760 -3.412 1.00 4.13 H new ATOM 0 HE2 TYR A 92 -27.315 2.567 -0.904 1.00 33.20 H new ATOM 0 HH TYR A 92 -28.663 4.163 -1.626 1.00 14.14 H new ATOM 1537 N PHE A 93 -21.466 2.298 0.675 1.00 50.22 N ATOM 1538 CA PHE A 93 -21.580 2.058 2.109 1.00 43.33 C ATOM 1539 C PHE A 93 -20.831 3.127 2.900 1.00 52.00 C ATOM 1540 O PHE A 93 -21.373 3.714 3.837 1.00 42.01 O ATOM 1541 CB PHE A 93 -21.035 0.672 2.460 1.00 2.42 C ATOM 1542 CG PHE A 93 -21.517 0.157 3.786 1.00 1.32 C ATOM 1543 CD1 PHE A 93 -21.090 0.741 4.968 1.00 50.21 C ATOM 1544 CD2 PHE A 93 -22.397 -0.911 3.851 1.00 63.22 C ATOM 1545 CE1 PHE A 93 -21.532 0.270 6.190 1.00 60.12 C ATOM 1546 CE2 PHE A 93 -22.842 -1.387 5.070 1.00 54.53 C ATOM 1547 CZ PHE A 93 -22.409 -0.796 6.241 1.00 64.14 C ATOM 0 H PHE A 93 -20.950 1.580 0.167 1.00 50.22 H new ATOM 0 HA PHE A 93 -22.635 2.105 2.378 1.00 43.33 H new ATOM 0 HB2 PHE A 93 -21.324 -0.032 1.679 1.00 2.42 H new ATOM 0 HB3 PHE A 93 -19.946 0.710 2.468 1.00 2.42 H new ATOM 0 HD1 PHE A 93 -20.404 1.574 4.934 1.00 50.21 H new ATOM 0 HD2 PHE A 93 -22.739 -1.377 2.939 1.00 63.22 H new ATOM 0 HE1 PHE A 93 -21.192 0.735 7.104 1.00 60.12 H new ATOM 0 HE2 PHE A 93 -23.528 -2.220 5.107 1.00 54.53 H new ATOM 0 HZ PHE A 93 -22.755 -1.167 7.194 1.00 64.14 H new ATOM 1557 N ARG A 94 -19.583 3.373 2.516 1.00 0.41 N ATOM 1558 CA ARG A 94 -18.759 4.369 3.190 1.00 41.50 C ATOM 1559 C ARG A 94 -19.356 5.765 3.033 1.00 2.03 C ATOM 1560 O ARG A 94 -19.216 6.613 3.915 1.00 11.02 O ATOM 1561 CB ARG A 94 -17.335 4.347 2.632 1.00 61.35 C ATOM 1562 CG ARG A 94 -16.381 3.475 3.431 1.00 21.34 C ATOM 1563 CD ARG A 94 -16.844 2.027 3.464 1.00 71.31 C ATOM 1564 NE ARG A 94 -15.769 1.100 3.119 1.00 51.21 N ATOM 1565 CZ ARG A 94 -15.946 -0.208 2.969 1.00 11.30 C ATOM 1566 NH1 ARG A 94 -17.149 -0.740 3.133 1.00 72.35 N ATOM 1567 NH2 ARG A 94 -14.918 -0.986 2.654 1.00 12.34 N ATOM 0 H ARG A 94 -19.120 2.896 1.742 1.00 0.41 H new ATOM 0 HA ARG A 94 -18.730 4.121 4.251 1.00 41.50 H new ATOM 0 HB2 ARG A 94 -17.363 3.991 1.602 1.00 61.35 H new ATOM 0 HB3 ARG A 94 -16.948 5.366 2.607 1.00 61.35 H new ATOM 0 HG2 ARG A 94 -15.384 3.529 2.994 1.00 21.34 H new ATOM 0 HG3 ARG A 94 -16.304 3.857 4.449 1.00 21.34 H new ATOM 0 HD2 ARG A 94 -17.222 1.790 4.459 1.00 71.31 H new ATOM 0 HD3 ARG A 94 -17.673 1.896 2.769 1.00 71.31 H new ATOM 0 HE ARG A 94 -14.831 1.478 2.986 1.00 51.21 H new ATOM 0 HH11 ARG A 94 -17.941 -0.145 3.375 1.00 72.35 H new ATOM 0 HH12 ARG A 94 -17.282 -1.745 3.017 1.00 72.35 H new ATOM 0 HH21 ARG A 94 -13.991 -0.580 2.527 1.00 12.34 H new ATOM 0 HH22 ARG A 94 -15.055 -1.990 2.539 1.00 12.34 H new ATOM 1581 N ILE A 95 -20.020 5.995 1.906 1.00 13.50 N ATOM 1582 CA ILE A 95 -20.638 7.287 1.635 1.00 55.33 C ATOM 1583 C ILE A 95 -21.977 7.418 2.353 1.00 32.21 C ATOM 1584 O ILE A 95 -22.426 8.524 2.657 1.00 20.11 O ATOM 1585 CB ILE A 95 -20.856 7.502 0.125 1.00 23.51 C ATOM 1586 CG1 ILE A 95 -19.519 7.758 -0.573 1.00 63.34 C ATOM 1587 CG2 ILE A 95 -21.814 8.659 -0.113 1.00 72.31 C ATOM 1588 CD1 ILE A 95 -19.603 7.694 -2.082 1.00 72.43 C ATOM 0 H ILE A 95 -20.144 5.304 1.166 1.00 13.50 H new ATOM 0 HA ILE A 95 -19.952 8.048 2.007 1.00 55.33 H new ATOM 0 HB ILE A 95 -21.298 6.599 -0.296 1.00 23.51 H new ATOM 0 HG12 ILE A 95 -19.147 8.740 -0.279 1.00 63.34 H new ATOM 0 HG13 ILE A 95 -18.791 7.025 -0.226 1.00 63.34 H new ATOM 0 HG21 ILE A 95 -21.958 8.798 -1.185 1.00 72.31 H new ATOM 0 HG22 ILE A 95 -22.773 8.440 0.356 1.00 72.31 H new ATOM 0 HG23 ILE A 95 -21.399 9.570 0.319 1.00 72.31 H new ATOM 0 HD11 ILE A 95 -18.619 7.885 -2.510 1.00 72.43 H new ATOM 0 HD12 ILE A 95 -19.945 6.705 -2.386 1.00 72.43 H new ATOM 0 HD13 ILE A 95 -20.306 8.446 -2.439 1.00 72.43 H new ATOM 1600 N LEU A 96 -22.610 6.282 2.624 1.00 73.25 N ATOM 1601 CA LEU A 96 -23.898 6.268 3.309 1.00 71.12 C ATOM 1602 C LEU A 96 -23.709 6.235 4.822 1.00 33.41 C ATOM 1603 O LEU A 96 -24.654 6.454 5.581 1.00 32.24 O ATOM 1604 CB LEU A 96 -24.724 5.061 2.860 1.00 50.22 C ATOM 1605 CG LEU A 96 -25.766 5.328 1.772 1.00 24.15 C ATOM 1606 CD1 LEU A 96 -26.934 6.122 2.336 1.00 71.31 C ATOM 1607 CD2 LEU A 96 -25.135 6.064 0.599 1.00 72.50 C ATOM 0 H LEU A 96 -22.252 5.358 2.380 1.00 73.25 H new ATOM 0 HA LEU A 96 -24.431 7.182 3.048 1.00 71.12 H new ATOM 0 HB2 LEU A 96 -24.041 4.292 2.500 1.00 50.22 H new ATOM 0 HB3 LEU A 96 -25.235 4.651 3.731 1.00 50.22 H new ATOM 0 HG LEU A 96 -26.144 4.370 1.414 1.00 24.15 H new ATOM 0 HD11 LEU A 96 -27.665 6.303 1.548 1.00 71.31 H new ATOM 0 HD12 LEU A 96 -27.402 5.558 3.143 1.00 71.31 H new ATOM 0 HD13 LEU A 96 -26.573 7.075 2.722 1.00 71.31 H new ATOM 0 HD21 LEU A 96 -25.890 6.246 -0.165 1.00 72.50 H new ATOM 0 HD22 LEU A 96 -24.730 7.016 0.942 1.00 72.50 H new ATOM 0 HD23 LEU A 96 -24.332 5.458 0.179 1.00 72.50 H new ATOM 1619 N LEU A 97 -22.483 5.961 5.254 1.00 12.21 N ATOM 1620 CA LEU A 97 -22.169 5.902 6.677 1.00 32.45 C ATOM 1621 C LEU A 97 -22.877 7.018 7.439 1.00 75.34 C ATOM 1622 O LEU A 97 -23.124 8.102 6.911 1.00 14.53 O ATOM 1623 CB LEU A 97 -20.658 6.003 6.891 1.00 22.40 C ATOM 1624 CG LEU A 97 -20.010 4.851 7.661 1.00 14.33 C ATOM 1625 CD1 LEU A 97 -18.994 4.131 6.789 1.00 22.35 C ATOM 1626 CD2 LEU A 97 -19.355 5.364 8.935 1.00 2.13 C ATOM 0 H LEU A 97 -21.690 5.776 4.639 1.00 12.21 H new ATOM 0 HA LEU A 97 -22.521 4.945 7.061 1.00 32.45 H new ATOM 0 HB2 LEU A 97 -20.177 6.077 5.916 1.00 22.40 H new ATOM 0 HB3 LEU A 97 -20.448 6.932 7.421 1.00 22.40 H new ATOM 0 HG LEU A 97 -20.789 4.140 7.937 1.00 14.33 H new ATOM 0 HD11 LEU A 97 -18.543 3.315 7.354 1.00 22.35 H new ATOM 0 HD12 LEU A 97 -19.492 3.730 5.906 1.00 22.35 H new ATOM 0 HD13 LEU A 97 -18.217 4.831 6.481 1.00 22.35 H new ATOM 0 HD21 LEU A 97 -18.899 4.531 9.470 1.00 2.13 H new ATOM 0 HD22 LEU A 97 -18.588 6.095 8.681 1.00 2.13 H new ATOM 0 HD23 LEU A 97 -20.108 5.833 9.568 1.00 2.13 H new ATOM 1638 N PRO A 98 -23.211 6.748 8.710 1.00 50.34 N ATOM 1639 CA PRO A 98 -23.893 7.718 9.572 1.00 40.24 C ATOM 1640 C PRO A 98 -22.993 8.888 9.953 1.00 42.52 C ATOM 1641 O PRO A 98 -23.448 10.028 10.052 1.00 52.15 O ATOM 1642 CB PRO A 98 -24.256 6.897 10.811 1.00 13.13 C ATOM 1643 CG PRO A 98 -23.257 5.793 10.840 1.00 30.52 C ATOM 1644 CD PRO A 98 -22.948 5.476 9.403 1.00 5.31 C ATOM 0 HA PRO A 98 -24.752 8.170 9.077 1.00 40.24 H new ATOM 0 HB2 PRO A 98 -24.204 7.502 11.716 1.00 13.13 H new ATOM 0 HB3 PRO A 98 -25.273 6.509 10.745 1.00 13.13 H new ATOM 0 HG2 PRO A 98 -22.357 6.095 11.375 1.00 30.52 H new ATOM 0 HG3 PRO A 98 -23.656 4.919 11.355 1.00 30.52 H new ATOM 0 HD2 PRO A 98 -21.914 5.155 9.275 1.00 5.31 H new ATOM 0 HD3 PRO A 98 -23.580 4.673 9.023 1.00 5.31 H new ATOM 1652 N TYR A 99 -21.714 8.600 10.166 1.00 63.14 N ATOM 1653 CA TYR A 99 -20.750 9.629 10.538 1.00 61.40 C ATOM 1654 C TYR A 99 -20.448 10.546 9.357 1.00 72.23 C ATOM 1655 O TYR A 99 -20.394 11.766 9.503 1.00 4.34 O ATOM 1656 CB TYR A 99 -19.457 8.987 11.043 1.00 64.42 C ATOM 1657 CG TYR A 99 -19.604 8.300 12.382 1.00 70.54 C ATOM 1658 CD1 TYR A 99 -20.012 6.974 12.463 1.00 73.23 C ATOM 1659 CD2 TYR A 99 -19.336 8.976 13.565 1.00 32.02 C ATOM 1660 CE1 TYR A 99 -20.149 6.342 13.684 1.00 71.04 C ATOM 1661 CE2 TYR A 99 -19.469 8.352 14.790 1.00 22.23 C ATOM 1662 CZ TYR A 99 -19.876 7.035 14.844 1.00 22.04 C ATOM 1663 OH TYR A 99 -20.011 6.410 16.063 1.00 5.10 O ATOM 0 H TYR A 99 -21.320 7.662 10.087 1.00 63.14 H new ATOM 0 HA TYR A 99 -21.187 10.228 11.337 1.00 61.40 H new ATOM 0 HB2 TYR A 99 -19.111 8.261 10.308 1.00 64.42 H new ATOM 0 HB3 TYR A 99 -18.687 9.754 11.120 1.00 64.42 H new ATOM 0 HD1 TYR A 99 -20.226 6.428 11.556 1.00 73.23 H new ATOM 0 HD2 TYR A 99 -19.018 10.007 13.527 1.00 32.02 H new ATOM 0 HE1 TYR A 99 -20.468 5.311 13.729 1.00 71.04 H new ATOM 0 HE2 TYR A 99 -19.256 8.892 15.701 1.00 22.23 H new ATOM 0 HH TYR A 99 -19.779 7.037 16.780 1.00 5.10 H new ATOM 1673 N GLU A 100 -20.254 9.947 8.186 1.00 41.33 N ATOM 1674 CA GLU A 100 -19.958 10.710 6.979 1.00 64.13 C ATOM 1675 C GLU A 100 -21.149 11.574 6.575 1.00 4.53 C ATOM 1676 O GLU A 100 -21.004 12.771 6.324 1.00 63.11 O ATOM 1677 CB GLU A 100 -19.586 9.768 5.832 1.00 64.21 C ATOM 1678 CG GLU A 100 -19.380 10.477 4.504 1.00 62.11 C ATOM 1679 CD GLU A 100 -18.673 11.810 4.658 1.00 72.24 C ATOM 1680 OE1 GLU A 100 -17.598 11.841 5.293 1.00 74.11 O ATOM 1681 OE2 GLU A 100 -19.195 12.821 4.143 1.00 4.14 O ATOM 0 H GLU A 100 -20.296 8.937 8.048 1.00 41.33 H new ATOM 0 HA GLU A 100 -19.112 11.364 7.192 1.00 64.13 H new ATOM 0 HB2 GLU A 100 -18.673 9.233 6.094 1.00 64.21 H new ATOM 0 HB3 GLU A 100 -20.371 9.021 5.717 1.00 64.21 H new ATOM 0 HG2 GLU A 100 -18.799 9.836 3.841 1.00 62.11 H new ATOM 0 HG3 GLU A 100 -20.347 10.636 4.027 1.00 62.11 H new ATOM 1688 N ARG A 101 -22.325 10.959 6.515 1.00 12.52 N ATOM 1689 CA ARG A 101 -23.541 11.671 6.141 1.00 51.43 C ATOM 1690 C ARG A 101 -23.871 12.757 7.161 1.00 52.44 C ATOM 1691 O ARG A 101 -24.364 13.829 6.805 1.00 25.30 O ATOM 1692 CB ARG A 101 -24.713 10.695 6.022 1.00 40.32 C ATOM 1693 CG ARG A 101 -25.150 10.103 7.352 1.00 41.32 C ATOM 1694 CD ARG A 101 -26.219 10.956 8.017 1.00 74.34 C ATOM 1695 NE ARG A 101 -27.503 10.263 8.093 1.00 63.34 N ATOM 1696 CZ ARG A 101 -28.571 10.760 8.705 1.00 33.12 C ATOM 1697 NH1 ARG A 101 -28.511 11.948 9.292 1.00 64.53 N ATOM 1698 NH2 ARG A 101 -29.704 10.069 8.732 1.00 41.13 N ATOM 0 H ARG A 101 -22.462 9.969 6.721 1.00 12.52 H new ATOM 0 HA ARG A 101 -23.372 12.144 5.174 1.00 51.43 H new ATOM 0 HB2 ARG A 101 -25.559 11.210 5.568 1.00 40.32 H new ATOM 0 HB3 ARG A 101 -24.434 9.885 5.348 1.00 40.32 H new ATOM 0 HG2 ARG A 101 -25.533 9.095 7.194 1.00 41.32 H new ATOM 0 HG3 ARG A 101 -24.288 10.016 8.014 1.00 41.32 H new ATOM 0 HD2 ARG A 101 -25.893 11.227 9.021 1.00 74.34 H new ATOM 0 HD3 ARG A 101 -26.341 11.885 7.459 1.00 74.34 H new ATOM 0 HE ARG A 101 -27.583 9.347 7.652 1.00 63.34 H new ATOM 0 HH11 ARG A 101 -27.642 12.482 9.274 1.00 64.53 H new ATOM 0 HH12 ARG A 101 -29.333 12.327 9.761 1.00 64.53 H new ATOM 0 HH21 ARG A 101 -29.755 9.155 8.282 1.00 41.13 H new ATOM 0 HH22 ARG A 101 -30.524 10.452 9.203 1.00 41.13 H new ATOM 1712 N HIS A 102 -23.597 12.473 8.430 1.00 74.01 N ATOM 1713 CA HIS A 102 -23.865 13.425 9.502 1.00 52.33 C ATOM 1714 C HIS A 102 -22.959 14.647 9.382 1.00 70.10 C ATOM 1715 O HIS A 102 -23.404 15.781 9.554 1.00 15.13 O ATOM 1716 CB HIS A 102 -23.667 12.761 10.864 1.00 35.33 C ATOM 1717 CG HIS A 102 -23.819 13.704 12.018 1.00 24.42 C ATOM 1718 ND1 HIS A 102 -25.011 13.893 12.684 1.00 12.10 N ATOM 1719 CD2 HIS A 102 -22.918 14.511 12.625 1.00 10.51 C ATOM 1720 CE1 HIS A 102 -24.838 14.778 13.649 1.00 11.04 C ATOM 1721 NE2 HIS A 102 -23.576 15.169 13.635 1.00 34.44 N ATOM 0 H HIS A 102 -23.189 11.591 8.741 1.00 74.01 H new ATOM 0 HA HIS A 102 -24.901 13.752 9.413 1.00 52.33 H new ATOM 0 HB2 HIS A 102 -24.387 11.949 10.971 1.00 35.33 H new ATOM 0 HB3 HIS A 102 -22.674 12.313 10.900 1.00 35.33 H new ATOM 0 HD2 HIS A 102 -21.876 14.618 12.364 1.00 10.51 H new ATOM 0 HE1 HIS A 102 -25.599 15.123 14.333 1.00 11.04 H new ATOM 0 HE2 HIS A 102 -23.159 15.849 14.271 1.00 34.44 H new ATOM 1729 N MET A 103 -21.686 14.407 9.087 1.00 62.55 N ATOM 1730 CA MET A 103 -20.718 15.488 8.944 1.00 64.44 C ATOM 1731 C MET A 103 -21.142 16.456 7.844 1.00 13.03 C ATOM 1732 O MET A 103 -21.076 17.673 8.017 1.00 12.43 O ATOM 1733 CB MET A 103 -19.331 14.921 8.633 1.00 42.33 C ATOM 1734 CG MET A 103 -18.631 14.328 9.845 1.00 71.24 C ATOM 1735 SD MET A 103 -17.947 15.588 10.938 1.00 34.12 S ATOM 1736 CE MET A 103 -18.801 15.210 12.466 1.00 35.54 C ATOM 0 H MET A 103 -21.301 13.474 8.942 1.00 62.55 H new ATOM 0 HA MET A 103 -20.677 16.033 9.887 1.00 64.44 H new ATOM 0 HB2 MET A 103 -19.425 14.152 7.866 1.00 42.33 H new ATOM 0 HB3 MET A 103 -18.709 15.713 8.216 1.00 42.33 H new ATOM 0 HG2 MET A 103 -19.337 13.713 10.403 1.00 71.24 H new ATOM 0 HG3 MET A 103 -17.830 13.669 9.511 1.00 71.24 H new ATOM 0 HE1 MET A 103 -18.395 15.822 13.271 1.00 35.54 H new ATOM 0 HE2 MET A 103 -19.864 15.421 12.351 1.00 35.54 H new ATOM 0 HE3 MET A 103 -18.665 14.156 12.708 1.00 35.54 H new ATOM 1746 N ILE A 104 -21.577 15.908 6.715 1.00 75.12 N ATOM 1747 CA ILE A 104 -22.013 16.724 5.589 1.00 54.14 C ATOM 1748 C ILE A 104 -23.421 17.265 5.814 1.00 11.10 C ATOM 1749 O ILE A 104 -23.797 18.297 5.258 1.00 0.12 O ATOM 1750 CB ILE A 104 -21.987 15.926 4.272 1.00 50.15 C ATOM 1751 CG1 ILE A 104 -23.034 14.811 4.305 1.00 61.25 C ATOM 1752 CG2 ILE A 104 -20.600 15.351 4.029 1.00 63.25 C ATOM 1753 CD1 ILE A 104 -23.084 13.992 3.034 1.00 74.32 C ATOM 0 H ILE A 104 -21.637 14.902 6.556 1.00 75.12 H new ATOM 0 HA ILE A 104 -21.314 17.557 5.514 1.00 54.14 H new ATOM 0 HB ILE A 104 -22.228 16.601 3.451 1.00 50.15 H new ATOM 0 HG12 ILE A 104 -22.823 14.150 5.146 1.00 61.25 H new ATOM 0 HG13 ILE A 104 -24.015 15.250 4.484 1.00 61.25 H new ATOM 0 HG21 ILE A 104 -20.597 14.790 3.095 1.00 63.25 H new ATOM 0 HG22 ILE A 104 -19.875 16.163 3.967 1.00 63.25 H new ATOM 0 HG23 ILE A 104 -20.332 14.688 4.851 1.00 63.25 H new ATOM 0 HD11 ILE A 104 -23.848 13.220 3.128 1.00 74.32 H new ATOM 0 HD12 ILE A 104 -23.325 14.641 2.192 1.00 74.32 H new ATOM 0 HD13 ILE A 104 -22.114 13.524 2.865 1.00 74.32 H new ATOM 1765 N SER A 105 -24.195 16.562 6.635 1.00 50.13 N ATOM 1766 CA SER A 105 -25.563 16.970 6.933 1.00 42.52 C ATOM 1767 C SER A 105 -25.596 18.390 7.492 1.00 73.41 C ATOM 1768 O SER A 105 -26.508 19.162 7.198 1.00 73.22 O ATOM 1769 CB SER A 105 -26.201 16.002 7.931 1.00 63.14 C ATOM 1770 OG SER A 105 -27.503 16.427 8.292 1.00 33.12 O ATOM 0 H SER A 105 -23.898 15.707 7.106 1.00 50.13 H new ATOM 0 HA SER A 105 -26.133 16.950 6.004 1.00 42.52 H new ATOM 0 HB2 SER A 105 -26.249 15.004 7.495 1.00 63.14 H new ATOM 0 HB3 SER A 105 -25.578 15.931 8.823 1.00 63.14 H new ATOM 0 HG SER A 105 -28.163 15.976 7.725 1.00 33.12 H new ATOM 1776 N GLN A 106 -24.595 18.725 8.299 1.00 31.54 N ATOM 1777 CA GLN A 106 -24.510 20.050 8.901 1.00 51.24 C ATOM 1778 C GLN A 106 -24.539 21.136 7.830 1.00 13.32 C ATOM 1779 O GLN A 106 -25.153 22.186 8.016 1.00 52.44 O ATOM 1780 CB GLN A 106 -23.234 20.174 9.735 1.00 41.12 C ATOM 1781 CG GLN A 106 -23.471 20.053 11.231 1.00 33.44 C ATOM 1782 CD GLN A 106 -23.419 21.391 11.941 1.00 12.21 C ATOM 1783 OE1 GLN A 106 -22.462 22.150 11.790 1.00 44.44 O ATOM 1784 NE2 GLN A 106 -24.452 21.688 12.722 1.00 44.44 N ATOM 0 H GLN A 106 -23.832 18.097 8.551 1.00 31.54 H new ATOM 0 HA GLN A 106 -25.374 20.182 9.552 1.00 51.24 H new ATOM 0 HB2 GLN A 106 -22.530 19.402 9.424 1.00 41.12 H new ATOM 0 HB3 GLN A 106 -22.766 21.136 9.526 1.00 41.12 H new ATOM 0 HG2 GLN A 106 -24.443 19.592 11.405 1.00 33.44 H new ATOM 0 HG3 GLN A 106 -22.721 19.389 11.661 1.00 33.44 H new ATOM 0 HE21 GLN A 106 -25.225 21.029 12.818 1.00 44.44 H new ATOM 0 HE22 GLN A 106 -24.472 22.575 13.225 1.00 44.44 H new ATOM 1793 N GLU A 107 -23.871 20.875 6.711 1.00 54.32 N ATOM 1794 CA GLU A 107 -23.821 21.832 5.612 1.00 44.13 C ATOM 1795 C GLU A 107 -24.585 21.309 4.399 1.00 15.02 C ATOM 1796 O GLU A 107 -24.315 21.700 3.265 1.00 65.04 O ATOM 1797 CB GLU A 107 -22.369 22.123 5.226 1.00 42.01 C ATOM 1798 CG GLU A 107 -22.076 23.601 5.029 1.00 62.24 C ATOM 1799 CD GLU A 107 -21.403 23.890 3.701 1.00 52.02 C ATOM 1800 OE1 GLU A 107 -22.104 23.889 2.667 1.00 21.43 O ATOM 1801 OE2 GLU A 107 -20.175 24.118 3.696 1.00 52.12 O ATOM 0 H GLU A 107 -23.358 20.010 6.542 1.00 54.32 H new ATOM 0 HA GLU A 107 -24.293 22.755 5.947 1.00 44.13 H new ATOM 0 HB2 GLU A 107 -21.710 21.731 6.001 1.00 42.01 H new ATOM 0 HB3 GLU A 107 -22.132 21.589 4.306 1.00 42.01 H new ATOM 0 HG2 GLU A 107 -23.008 24.164 5.090 1.00 62.24 H new ATOM 0 HG3 GLU A 107 -21.438 23.952 5.840 1.00 62.24 H new ATOM 1808 N GLY A 108 -25.543 20.421 4.649 1.00 70.22 N ATOM 1809 CA GLY A 108 -26.332 19.857 3.569 1.00 50.51 C ATOM 1810 C GLY A 108 -27.416 18.923 4.069 1.00 3.00 C ATOM 1811 O GLY A 108 -27.527 17.787 3.606 1.00 11.34 O ATOM 0 H GLY A 108 -25.787 20.082 5.580 1.00 70.22 H new ATOM 0 HA2 GLY A 108 -26.788 20.665 2.997 1.00 50.51 H new ATOM 0 HA3 GLY A 108 -25.675 19.315 2.888 1.00 50.51 H new ATOM 1815 N ILE A 109 -28.215 19.400 5.017 1.00 51.30 N ATOM 1816 CA ILE A 109 -29.295 18.599 5.580 1.00 25.12 C ATOM 1817 C ILE A 109 -30.245 18.113 4.491 1.00 44.21 C ATOM 1818 O ILE A 109 -30.929 17.103 4.653 1.00 21.44 O ATOM 1819 CB ILE A 109 -30.096 19.392 6.629 1.00 54.21 C ATOM 1820 CG1 ILE A 109 -30.481 20.766 6.076 1.00 4.45 C ATOM 1821 CG2 ILE A 109 -29.292 19.537 7.912 1.00 13.02 C ATOM 1822 CD1 ILE A 109 -31.780 21.301 6.636 1.00 34.31 C ATOM 0 H ILE A 109 -28.135 20.337 5.412 1.00 51.30 H new ATOM 0 HA ILE A 109 -28.831 17.739 6.063 1.00 25.12 H new ATOM 0 HB ILE A 109 -31.010 18.844 6.857 1.00 54.21 H new ATOM 0 HG12 ILE A 109 -29.682 21.474 6.295 1.00 4.45 H new ATOM 0 HG13 ILE A 109 -30.562 20.702 4.991 1.00 4.45 H new ATOM 0 HG21 ILE A 109 -29.872 20.100 8.643 1.00 13.02 H new ATOM 0 HG22 ILE A 109 -29.064 18.549 8.312 1.00 13.02 H new ATOM 0 HG23 ILE A 109 -28.363 20.066 7.701 1.00 13.02 H new ATOM 0 HD11 ILE A 109 -31.989 22.278 6.200 1.00 34.31 H new ATOM 0 HD12 ILE A 109 -32.591 20.614 6.394 1.00 34.31 H new ATOM 0 HD13 ILE A 109 -31.697 21.398 7.719 1.00 34.31 H new ATOM 1834 N LYS A 110 -30.281 18.839 3.378 1.00 23.34 N ATOM 1835 CA LYS A 110 -31.144 18.481 2.259 1.00 11.40 C ATOM 1836 C LYS A 110 -30.839 17.071 1.765 1.00 22.00 C ATOM 1837 O LYS A 110 -31.700 16.405 1.193 1.00 75.42 O ATOM 1838 CB LYS A 110 -30.971 19.483 1.115 1.00 62.33 C ATOM 1839 CG LYS A 110 -32.193 20.353 0.878 1.00 4.30 C ATOM 1840 CD LYS A 110 -32.585 21.117 2.132 1.00 45.12 C ATOM 1841 CE LYS A 110 -33.313 22.409 1.793 1.00 65.21 C ATOM 1842 NZ LYS A 110 -32.375 23.470 1.332 1.00 65.41 N ATOM 0 H LYS A 110 -29.722 19.679 3.227 1.00 23.34 H new ATOM 0 HA LYS A 110 -32.177 18.509 2.606 1.00 11.40 H new ATOM 0 HB2 LYS A 110 -30.116 20.123 1.331 1.00 62.33 H new ATOM 0 HB3 LYS A 110 -30.739 18.939 0.199 1.00 62.33 H new ATOM 0 HG2 LYS A 110 -31.989 21.057 0.071 1.00 4.30 H new ATOM 0 HG3 LYS A 110 -33.027 19.730 0.555 1.00 4.30 H new ATOM 0 HD2 LYS A 110 -33.223 20.491 2.756 1.00 45.12 H new ATOM 0 HD3 LYS A 110 -31.692 21.343 2.715 1.00 45.12 H new ATOM 0 HE2 LYS A 110 -34.053 22.216 1.016 1.00 65.21 H new ATOM 0 HE3 LYS A 110 -33.856 22.761 2.670 1.00 65.21 H new ATOM 0 HZ1 LYS A 110 -32.897 24.358 1.192 1.00 65.41 H new ATOM 0 HZ2 LYS A 110 -31.634 23.613 2.048 1.00 65.41 H new ATOM 0 HZ3 LYS A 110 -31.938 23.180 0.434 1.00 65.41 H new ATOM 1856 N GLU A 111 -29.608 16.623 1.992 1.00 61.24 N ATOM 1857 CA GLU A 111 -29.191 15.291 1.569 1.00 21.24 C ATOM 1858 C GLU A 111 -29.770 14.222 2.491 1.00 34.42 C ATOM 1859 O GLU A 111 -29.945 13.070 2.093 1.00 74.44 O ATOM 1860 CB GLU A 111 -27.664 15.192 1.552 1.00 71.20 C ATOM 1861 CG GLU A 111 -27.134 14.123 0.611 1.00 51.34 C ATOM 1862 CD GLU A 111 -27.038 14.605 -0.824 1.00 14.10 C ATOM 1863 OE1 GLU A 111 -27.875 15.440 -1.227 1.00 43.11 O ATOM 1864 OE2 GLU A 111 -26.126 14.147 -1.543 1.00 71.34 O ATOM 0 H GLU A 111 -28.883 17.162 2.466 1.00 61.24 H new ATOM 0 HA GLU A 111 -29.570 15.122 0.561 1.00 21.24 H new ATOM 0 HB2 GLU A 111 -27.249 16.157 1.262 1.00 71.20 H new ATOM 0 HB3 GLU A 111 -27.311 14.983 2.562 1.00 71.20 H new ATOM 0 HG2 GLU A 111 -26.149 13.802 0.949 1.00 51.34 H new ATOM 0 HG3 GLU A 111 -27.786 13.250 0.655 1.00 51.34 H new ATOM 1871 N THR A 112 -30.066 14.611 3.727 1.00 11.24 N ATOM 1872 CA THR A 112 -30.624 13.688 4.707 1.00 22.41 C ATOM 1873 C THR A 112 -32.036 13.263 4.320 1.00 22.54 C ATOM 1874 O THR A 112 -32.352 12.073 4.303 1.00 13.44 O ATOM 1875 CB THR A 112 -30.655 14.313 6.114 1.00 34.14 C ATOM 1876 OG1 THR A 112 -29.387 14.904 6.416 1.00 2.43 O ATOM 1877 CG2 THR A 112 -30.995 13.266 7.164 1.00 32.13 C ATOM 0 H THR A 112 -29.928 15.560 4.073 1.00 11.24 H new ATOM 0 HA THR A 112 -29.975 12.812 4.722 1.00 22.41 H new ATOM 0 HB THR A 112 -31.426 15.083 6.128 1.00 34.14 H new ATOM 0 HG1 THR A 112 -29.278 15.728 5.897 1.00 2.43 H new ATOM 0 HG21 THR A 112 -31.011 13.731 8.150 1.00 32.13 H new ATOM 0 HG22 THR A 112 -31.974 12.839 6.948 1.00 32.13 H new ATOM 0 HG23 THR A 112 -30.243 12.477 7.147 1.00 32.13 H new ATOM 1885 N GLN A 113 -32.879 14.242 4.010 1.00 34.42 N ATOM 1886 CA GLN A 113 -34.258 13.967 3.624 1.00 53.25 C ATOM 1887 C GLN A 113 -34.310 13.102 2.369 1.00 61.23 C ATOM 1888 O GLN A 113 -35.305 12.426 2.110 1.00 51.14 O ATOM 1889 CB GLN A 113 -35.014 15.276 3.386 1.00 23.02 C ATOM 1890 CG GLN A 113 -36.525 15.125 3.446 1.00 52.41 C ATOM 1891 CD GLN A 113 -37.246 16.458 3.410 1.00 54.42 C ATOM 1892 OE1 GLN A 113 -36.694 17.464 2.964 1.00 42.32 O ATOM 1893 NE2 GLN A 113 -38.488 16.473 3.880 1.00 31.13 N ATOM 0 H GLN A 113 -32.632 15.232 4.018 1.00 34.42 H new ATOM 0 HA GLN A 113 -34.735 13.422 4.439 1.00 53.25 H new ATOM 0 HB2 GLN A 113 -34.700 16.008 4.131 1.00 23.02 H new ATOM 0 HB3 GLN A 113 -34.735 15.675 2.411 1.00 23.02 H new ATOM 0 HG2 GLN A 113 -36.859 14.513 2.608 1.00 52.41 H new ATOM 0 HG3 GLN A 113 -36.797 14.593 4.358 1.00 52.41 H new ATOM 0 HE21 GLN A 113 -38.907 15.616 4.241 1.00 31.13 H new ATOM 0 HE22 GLN A 113 -39.023 17.342 3.880 1.00 31.13 H new ATOM 1902 N ALA A 114 -33.231 13.128 1.593 1.00 11.10 N ATOM 1903 CA ALA A 114 -33.153 12.345 0.366 1.00 30.13 C ATOM 1904 C ALA A 114 -33.105 10.851 0.671 1.00 42.44 C ATOM 1905 O ALA A 114 -33.507 10.026 -0.150 1.00 40.41 O ATOM 1906 CB ALA A 114 -31.936 12.759 -0.448 1.00 12.11 C ATOM 0 H ALA A 114 -32.399 13.683 1.793 1.00 11.10 H new ATOM 0 HA ALA A 114 -34.051 12.541 -0.219 1.00 30.13 H new ATOM 0 HB1 ALA A 114 -31.890 12.166 -1.361 1.00 12.11 H new ATOM 0 HB2 ALA A 114 -32.012 13.816 -0.705 1.00 12.11 H new ATOM 0 HB3 ALA A 114 -31.032 12.592 0.138 1.00 12.11 H new ATOM 1912 N LYS A 115 -32.610 10.509 1.855 1.00 5.42 N ATOM 1913 CA LYS A 115 -32.509 9.115 2.269 1.00 3.02 C ATOM 1914 C LYS A 115 -31.676 8.311 1.276 1.00 44.41 C ATOM 1915 O LYS A 115 -31.136 8.862 0.316 1.00 24.31 O ATOM 1916 CB LYS A 115 -33.903 8.498 2.399 1.00 71.15 C ATOM 1917 CG LYS A 115 -34.768 9.166 3.453 1.00 34.31 C ATOM 1918 CD LYS A 115 -35.366 8.148 4.410 1.00 1.14 C ATOM 1919 CE LYS A 115 -36.837 8.428 4.675 1.00 54.44 C ATOM 1920 NZ LYS A 115 -37.065 9.835 5.107 1.00 51.12 N ATOM 0 H LYS A 115 -32.272 11.179 2.546 1.00 5.42 H new ATOM 0 HA LYS A 115 -32.013 9.085 3.239 1.00 3.02 H new ATOM 0 HB2 LYS A 115 -34.409 8.557 1.435 1.00 71.15 H new ATOM 0 HB3 LYS A 115 -33.802 7.440 2.641 1.00 71.15 H new ATOM 0 HG2 LYS A 115 -34.171 9.886 4.013 1.00 34.31 H new ATOM 0 HG3 LYS A 115 -35.568 9.725 2.968 1.00 34.31 H new ATOM 0 HD2 LYS A 115 -35.255 7.147 3.994 1.00 1.14 H new ATOM 0 HD3 LYS A 115 -34.816 8.165 5.351 1.00 1.14 H new ATOM 0 HE2 LYS A 115 -37.413 8.228 3.772 1.00 54.44 H new ATOM 0 HE3 LYS A 115 -37.203 7.748 5.444 1.00 54.44 H new ATOM 0 HZ1 LYS A 115 -37.957 9.895 5.638 1.00 51.12 H new ATOM 0 HZ2 LYS A 115 -36.279 10.143 5.715 1.00 51.12 H new ATOM 0 HZ3 LYS A 115 -37.118 10.451 4.271 1.00 51.12 H new ATOM 1934 N ARG A 116 -31.577 7.007 1.512 1.00 1.21 N ATOM 1935 CA ARG A 116 -30.810 6.128 0.638 1.00 41.34 C ATOM 1936 C ARG A 116 -31.524 5.931 -0.697 1.00 22.15 C ATOM 1937 O ARG A 116 -31.145 5.072 -1.493 1.00 34.42 O ATOM 1938 CB ARG A 116 -30.583 4.774 1.312 1.00 0.10 C ATOM 1939 CG ARG A 116 -31.859 3.973 1.513 1.00 24.52 C ATOM 1940 CD ARG A 116 -31.557 2.529 1.882 1.00 23.52 C ATOM 1941 NE ARG A 116 -32.759 1.699 1.876 1.00 41.21 N ATOM 1942 CZ ARG A 116 -33.405 1.350 0.769 1.00 12.31 C ATOM 1943 NH1 ARG A 116 -32.967 1.756 -0.414 1.00 42.25 N ATOM 1944 NH2 ARG A 116 -34.492 0.593 0.845 1.00 53.11 N ATOM 0 H ARG A 116 -32.019 6.536 2.302 1.00 1.21 H new ATOM 0 HA ARG A 116 -29.845 6.598 0.449 1.00 41.34 H new ATOM 0 HB2 ARG A 116 -29.888 4.189 0.709 1.00 0.10 H new ATOM 0 HB3 ARG A 116 -30.108 4.934 2.280 1.00 0.10 H new ATOM 0 HG2 ARG A 116 -32.459 4.433 2.299 1.00 24.52 H new ATOM 0 HG3 ARG A 116 -32.454 4.000 0.600 1.00 24.52 H new ATOM 0 HD2 ARG A 116 -30.831 2.120 1.180 1.00 23.52 H new ATOM 0 HD3 ARG A 116 -31.099 2.496 2.870 1.00 23.52 H new ATOM 0 HE ARG A 116 -33.122 1.369 2.770 1.00 41.21 H new ATOM 0 HH11 ARG A 116 -32.132 2.338 -0.476 1.00 42.25 H new ATOM 0 HH12 ARG A 116 -33.465 1.486 -1.262 1.00 42.25 H new ATOM 0 HH21 ARG A 116 -34.832 0.279 1.754 1.00 53.11 H new ATOM 0 HH22 ARG A 116 -34.988 0.325 -0.005 1.00 53.11 H new TER 1958 ARG A 116