USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 966 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 86 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= 0.0959 USER MOD Set 2.2: A 67 GLN : amide:sc= -0.0459 K(o=0.05,f=-0.49) USER MOD Set 3.1: A 4 THR OG1 : rot 148:sc= 0.237 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.535 USER MOD Set 3.3: A 41 ASN : amide:sc= -0.872 K(o=-0.099,f=-0.91!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 44:sc= 0.362 USER MOD Single : A 6 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.2) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 0.227 (180deg=0.118) USER MOD Single : A 10 THR OG1 : rot 79:sc= -1.9! USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= -0.53 (180deg=-1.87!) USER MOD Single : A 13 TYR OH : rot 101:sc= -2.65! USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -1.69 (180deg=-2.67) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -53:sc= 1.17 USER MOD Single : A 32 THR OG1 : rot -56:sc= 1.15 USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= -1.34 (180deg=-4.49!) USER MOD Single : A 37 MET CE :methyl -134:sc= -2.51! (180deg=-4.85!) USER MOD Single : A 39 MET CE :methyl 163:sc= -0.0594 (180deg=-0.487) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= -2.18! (180deg=-2.25!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.012 USER MOD Single : A 58 SER OG : rot 103:sc= 1.17 USER MOD Single : A 60 LYS NZ :NH3+ -165:sc=-0.00946 (180deg=-0.175) USER MOD Single : A 69 ASN : amide:sc= -0.0476 K(o=-0.048,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00221) USER MOD Single : A 71 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.26) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= -3.39! (180deg=-4.5!) USER MOD Single : A 79 THR OG1 : rot 84:sc= 0.688 USER MOD Single : A 80 ASN : amide:sc= -2.17 K(o=-2.2,f=-2.7) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 85 THR OG1 : rot -52:sc= 1.19 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -55:sc= 1.16 USER MOD Single : A 92 SER OG : rot 77:sc= 0.0598 USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= -0.468 (180deg=-1.57) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.991 K(o=-0.99,f=-1.9) USER MOD Single : A 97 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 99 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.26) USER MOD Single : A 100 CYS SG : rot 180:sc= -1.8! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= -0.0359 (180deg=-0.279) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.925 -14.021 -4.891 1.00 3.78 N ATOM 2 CA SER A 1 -17.492 -12.817 -5.646 1.00 3.53 C ATOM 3 C SER A 1 -16.286 -12.162 -4.981 1.00 3.37 C ATOM 4 O SER A 1 -16.293 -11.902 -3.778 1.00 3.89 O ATOM 5 CB SER A 1 -18.642 -11.813 -5.739 1.00 3.95 C ATOM 6 OG SER A 1 -18.255 -10.661 -6.469 1.00 4.64 O ATOM 0 H1 SER A 1 -18.747 -14.449 -5.363 1.00 3.78 H new ATOM 0 H2 SER A 1 -17.146 -14.710 -4.859 1.00 3.78 H new ATOM 0 H3 SER A 1 -18.185 -13.748 -3.922 1.00 3.78 H new ATOM 0 HA SER A 1 -17.205 -13.130 -6.650 1.00 3.53 H new ATOM 0 HB2 SER A 1 -19.500 -12.282 -6.221 1.00 3.95 H new ATOM 0 HB3 SER A 1 -18.958 -11.523 -4.737 1.00 3.95 H new ATOM 0 HG SER A 1 -19.008 -10.035 -6.516 1.00 4.64 H new ATOM 14 N SER A 2 -15.253 -11.896 -5.774 1.00 3.06 N ATOM 15 CA SER A 2 -14.039 -11.270 -5.264 1.00 3.04 C ATOM 16 C SER A 2 -13.682 -10.031 -6.078 1.00 1.91 C ATOM 17 O SER A 2 -13.951 -9.967 -7.279 1.00 2.39 O ATOM 18 CB SER A 2 -12.877 -12.265 -5.294 1.00 4.03 C ATOM 19 OG SER A 2 -13.155 -13.400 -4.494 1.00 4.82 O ATOM 0 H SER A 2 -15.233 -12.104 -6.772 1.00 3.06 H new ATOM 0 HA SER A 2 -14.223 -10.965 -4.234 1.00 3.04 H new ATOM 0 HB2 SER A 2 -12.689 -12.578 -6.321 1.00 4.03 H new ATOM 0 HB3 SER A 2 -11.969 -11.779 -4.937 1.00 4.03 H new ATOM 0 HG SER A 2 -12.397 -14.021 -4.532 1.00 4.82 H new ATOM 25 N THR A 3 -13.076 -9.049 -5.419 1.00 1.12 N ATOM 26 CA THR A 3 -12.681 -7.812 -6.082 1.00 0.81 C ATOM 27 C THR A 3 -11.344 -7.974 -6.797 1.00 0.72 C ATOM 28 O THR A 3 -11.049 -7.255 -7.751 1.00 0.87 O ATOM 29 CB THR A 3 -12.577 -6.646 -5.081 1.00 2.03 C ATOM 30 OG1 THR A 3 -11.579 -6.932 -4.094 1.00 2.79 O ATOM 31 CG2 THR A 3 -13.915 -6.398 -4.398 1.00 2.21 C ATOM 0 H THR A 3 -12.848 -9.086 -4.426 1.00 1.12 H new ATOM 0 HA THR A 3 -13.456 -7.584 -6.814 1.00 0.81 H new ATOM 0 HB THR A 3 -12.295 -5.749 -5.632 1.00 2.03 H new ATOM 0 HG1 THR A 3 -11.519 -6.184 -3.463 1.00 2.79 H new ATOM 0 HG21 THR A 3 -13.817 -5.570 -3.696 1.00 2.21 H new ATOM 0 HG22 THR A 3 -14.666 -6.151 -5.148 1.00 2.21 H new ATOM 0 HG23 THR A 3 -14.221 -7.296 -3.861 1.00 2.21 H new ATOM 39 N THR A 4 -10.537 -8.923 -6.328 1.00 0.63 N ATOM 40 CA THR A 4 -9.231 -9.177 -6.924 1.00 0.58 C ATOM 41 C THR A 4 -9.341 -10.080 -8.145 1.00 0.56 C ATOM 42 O THR A 4 -9.964 -11.140 -8.094 1.00 0.75 O ATOM 43 CB THR A 4 -8.262 -9.828 -5.918 1.00 0.73 C ATOM 44 OG1 THR A 4 -8.955 -10.796 -5.122 1.00 0.93 O ATOM 45 CG2 THR A 4 -7.624 -8.781 -5.020 1.00 0.89 C ATOM 0 H THR A 4 -10.765 -9.527 -5.538 1.00 0.63 H new ATOM 0 HA THR A 4 -8.839 -8.205 -7.224 1.00 0.58 H new ATOM 0 HB THR A 4 -7.472 -10.325 -6.481 1.00 0.73 H new ATOM 0 HG1 THR A 4 -8.340 -11.519 -4.878 1.00 0.93 H new ATOM 0 HG21 THR A 4 -6.945 -9.267 -4.320 1.00 0.89 H new ATOM 0 HG22 THR A 4 -7.068 -8.069 -5.630 1.00 0.89 H new ATOM 0 HG23 THR A 4 -8.401 -8.255 -4.466 1.00 0.89 H new ATOM 53 N THR A 5 -8.732 -9.646 -9.242 1.00 0.47 N ATOM 54 CA THR A 5 -8.738 -10.415 -10.479 1.00 0.52 C ATOM 55 C THR A 5 -8.170 -11.810 -10.240 1.00 0.69 C ATOM 56 O THR A 5 -7.407 -12.021 -9.298 1.00 1.62 O ATOM 57 CB THR A 5 -7.904 -9.704 -11.569 1.00 0.43 C ATOM 58 OG1 THR A 5 -8.499 -8.443 -11.894 1.00 0.49 O ATOM 59 CG2 THR A 5 -7.788 -10.550 -12.831 1.00 0.50 C ATOM 0 H THR A 5 -8.226 -8.762 -9.299 1.00 0.47 H new ATOM 0 HA THR A 5 -9.771 -10.498 -10.818 1.00 0.52 H new ATOM 0 HB THR A 5 -6.901 -9.551 -11.170 1.00 0.43 H new ATOM 0 HG1 THR A 5 -8.764 -7.984 -11.070 1.00 0.49 H new ATOM 0 HG21 THR A 5 -7.195 -10.016 -13.574 1.00 0.50 H new ATOM 0 HG22 THR A 5 -7.303 -11.496 -12.591 1.00 0.50 H new ATOM 0 HG23 THR A 5 -8.783 -10.743 -13.232 1.00 0.50 H new ATOM 67 N ASN A 6 -8.548 -12.759 -11.091 1.00 0.63 N ATOM 68 CA ASN A 6 -8.057 -14.127 -10.972 1.00 0.68 C ATOM 69 C ASN A 6 -6.536 -14.158 -11.108 1.00 0.57 C ATOM 70 O ASN A 6 -5.906 -15.206 -10.960 1.00 0.62 O ATOM 71 CB ASN A 6 -8.700 -15.015 -12.041 1.00 0.82 C ATOM 72 CG ASN A 6 -8.300 -16.473 -11.910 1.00 1.42 C ATOM 73 OD1 ASN A 6 -8.193 -17.190 -12.906 1.00 2.05 O ATOM 74 ND2 ASN A 6 -8.082 -16.921 -10.680 1.00 2.12 N ATOM 0 H ASN A 6 -9.191 -12.606 -11.868 1.00 0.63 H new ATOM 0 HA ASN A 6 -8.328 -14.510 -9.988 1.00 0.68 H new ATOM 0 HB2 ASN A 6 -9.785 -14.933 -11.972 1.00 0.82 H new ATOM 0 HB3 ASN A 6 -8.415 -14.652 -13.028 1.00 0.82 H new ATOM 0 HD21 ASN A 6 -7.814 -17.894 -10.532 1.00 2.12 H new ATOM 0 HD22 ASN A 6 -8.182 -16.292 -9.883 1.00 2.12 H new ATOM 81 N GLU A 7 -5.956 -12.994 -11.388 1.00 0.47 N ATOM 82 CA GLU A 7 -4.517 -12.863 -11.549 1.00 0.40 C ATOM 83 C GLU A 7 -3.862 -12.299 -10.292 1.00 0.42 C ATOM 84 O GLU A 7 -4.278 -11.264 -9.772 1.00 0.50 O ATOM 85 CB GLU A 7 -4.203 -11.956 -12.734 1.00 0.37 C ATOM 86 CG GLU A 7 -3.553 -12.676 -13.903 1.00 0.42 C ATOM 87 CD GLU A 7 -4.457 -13.727 -14.517 1.00 0.94 C ATOM 88 OE1 GLU A 7 -4.455 -14.874 -14.025 1.00 1.65 O ATOM 89 OE2 GLU A 7 -5.168 -13.401 -15.491 1.00 0.85 O ATOM 0 H GLU A 7 -6.470 -12.121 -11.508 1.00 0.47 H new ATOM 0 HA GLU A 7 -4.113 -13.859 -11.729 1.00 0.40 H new ATOM 0 HB2 GLU A 7 -5.126 -11.488 -13.076 1.00 0.37 H new ATOM 0 HB3 GLU A 7 -3.544 -11.154 -12.401 1.00 0.37 H new ATOM 0 HG2 GLU A 7 -3.279 -11.948 -14.666 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -2.630 -13.148 -13.566 1.00 0.42 H new ATOM 96 N LYS A 8 -2.835 -12.990 -9.813 1.00 0.40 N ATOM 97 CA LYS A 8 -2.098 -12.559 -8.630 1.00 0.44 C ATOM 98 C LYS A 8 -0.823 -11.841 -9.063 1.00 0.41 C ATOM 99 O LYS A 8 -0.406 -10.852 -8.461 1.00 0.45 O ATOM 100 CB LYS A 8 -1.784 -13.776 -7.743 1.00 0.55 C ATOM 101 CG LYS A 8 -0.307 -13.994 -7.453 1.00 0.60 C ATOM 102 CD LYS A 8 0.196 -13.061 -6.364 1.00 0.58 C ATOM 103 CE LYS A 8 1.704 -13.134 -6.212 1.00 0.70 C ATOM 104 NZ LYS A 8 2.159 -14.500 -5.838 1.00 1.44 N ATOM 0 H LYS A 8 -2.492 -13.856 -10.228 1.00 0.40 H new ATOM 0 HA LYS A 8 -2.701 -11.864 -8.046 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -2.312 -13.663 -6.796 1.00 0.55 H new ATOM 0 HB3 LYS A 8 -2.180 -14.670 -8.224 1.00 0.55 H new ATOM 0 HG2 LYS A 8 -0.145 -15.028 -7.150 1.00 0.60 H new ATOM 0 HG3 LYS A 8 0.270 -13.835 -8.364 1.00 0.60 H new ATOM 0 HD2 LYS A 8 -0.097 -12.038 -6.598 1.00 0.58 H new ATOM 0 HD3 LYS A 8 -0.278 -13.319 -5.417 1.00 0.58 H new ATOM 0 HE2 LYS A 8 2.178 -12.837 -7.148 1.00 0.70 H new ATOM 0 HE3 LYS A 8 2.027 -12.423 -5.452 1.00 0.70 H new ATOM 0 HZ1 LYS A 8 3.135 -14.456 -5.483 1.00 1.44 H new ATOM 0 HZ2 LYS A 8 1.538 -14.882 -5.097 1.00 1.44 H new ATOM 0 HZ3 LYS A 8 2.122 -15.119 -6.673 1.00 1.44 H new ATOM 118 N ILE A 9 -0.220 -12.362 -10.123 1.00 0.42 N ATOM 119 CA ILE A 9 1.005 -11.807 -10.687 1.00 0.43 C ATOM 120 C ILE A 9 0.690 -10.744 -11.737 1.00 0.36 C ATOM 121 O ILE A 9 -0.445 -10.274 -11.829 1.00 0.32 O ATOM 122 CB ILE A 9 1.862 -12.913 -11.342 1.00 0.49 C ATOM 123 CG1 ILE A 9 1.243 -13.374 -12.673 1.00 0.53 C ATOM 124 CG2 ILE A 9 2.022 -14.093 -10.396 1.00 0.62 C ATOM 125 CD1 ILE A 9 -0.217 -13.775 -12.574 1.00 0.51 C ATOM 0 H ILE A 9 -0.567 -13.184 -10.618 1.00 0.42 H new ATOM 0 HA ILE A 9 1.561 -11.354 -9.867 1.00 0.43 H new ATOM 0 HB ILE A 9 2.847 -12.497 -11.551 1.00 0.49 H new ATOM 0 HG12 ILE A 9 1.339 -12.570 -13.403 1.00 0.53 H new ATOM 0 HG13 ILE A 9 1.816 -14.220 -13.053 1.00 0.53 H new ATOM 0 HG21 ILE A 9 2.628 -14.863 -10.874 1.00 0.62 H new ATOM 0 HG22 ILE A 9 2.512 -13.761 -9.480 1.00 0.62 H new ATOM 0 HG23 ILE A 9 1.041 -14.502 -10.155 1.00 0.62 H new ATOM 0 HD11 ILE A 9 -0.576 -14.087 -13.555 1.00 0.51 H new ATOM 0 HD12 ILE A 9 -0.321 -14.601 -11.870 1.00 0.51 H new ATOM 0 HD13 ILE A 9 -0.805 -12.926 -12.226 1.00 0.51 H new ATOM 137 N THR A 10 1.693 -10.369 -12.533 1.00 0.38 N ATOM 138 CA THR A 10 1.497 -9.367 -13.577 1.00 0.36 C ATOM 139 C THR A 10 2.666 -9.302 -14.555 1.00 0.42 C ATOM 140 O THR A 10 2.540 -8.715 -15.628 1.00 0.57 O ATOM 141 CB THR A 10 1.262 -7.971 -12.984 1.00 0.37 C ATOM 142 OG1 THR A 10 1.626 -6.962 -13.926 1.00 0.34 O ATOM 143 CG2 THR A 10 2.057 -7.794 -11.710 1.00 0.39 C ATOM 0 H THR A 10 2.641 -10.741 -12.474 1.00 0.38 H new ATOM 0 HA THR A 10 0.609 -9.683 -14.124 1.00 0.36 H new ATOM 0 HB THR A 10 0.201 -7.874 -12.753 1.00 0.37 H new ATOM 0 HG1 THR A 10 0.907 -6.854 -14.583 1.00 0.34 H new ATOM 0 HG21 THR A 10 1.877 -6.798 -11.304 1.00 0.39 H new ATOM 0 HG22 THR A 10 1.748 -8.544 -10.981 1.00 0.39 H new ATOM 0 HG23 THR A 10 3.119 -7.912 -11.925 1.00 0.39 H new ATOM 151 N LYS A 11 3.807 -9.886 -14.204 1.00 0.43 N ATOM 152 CA LYS A 11 4.936 -9.870 -15.124 1.00 0.52 C ATOM 153 C LYS A 11 4.503 -10.582 -16.392 1.00 0.54 C ATOM 154 O LYS A 11 4.872 -10.202 -17.503 1.00 0.65 O ATOM 155 CB LYS A 11 6.166 -10.550 -14.515 1.00 0.61 C ATOM 156 CG LYS A 11 7.472 -10.209 -15.226 1.00 0.71 C ATOM 157 CD LYS A 11 8.061 -11.417 -15.940 1.00 1.08 C ATOM 158 CE LYS A 11 7.245 -11.797 -17.163 1.00 0.69 C ATOM 159 NZ LYS A 11 7.864 -12.918 -17.923 1.00 1.09 N ATOM 0 H LYS A 11 3.972 -10.362 -13.317 1.00 0.43 H new ATOM 0 HA LYS A 11 5.223 -8.841 -15.340 1.00 0.52 H new ATOM 0 HB2 LYS A 11 6.248 -10.262 -13.467 1.00 0.61 H new ATOM 0 HB3 LYS A 11 6.022 -11.630 -14.538 1.00 0.61 H new ATOM 0 HG2 LYS A 11 7.295 -9.411 -15.947 1.00 0.71 H new ATOM 0 HG3 LYS A 11 8.192 -9.829 -14.501 1.00 0.71 H new ATOM 0 HD2 LYS A 11 9.086 -11.199 -16.239 1.00 1.08 H new ATOM 0 HD3 LYS A 11 8.102 -12.262 -15.253 1.00 1.08 H new ATOM 0 HE2 LYS A 11 6.239 -12.081 -16.853 1.00 0.69 H new ATOM 0 HE3 LYS A 11 7.144 -10.929 -17.815 1.00 0.69 H new ATOM 0 HZ1 LYS A 11 7.125 -13.441 -18.434 1.00 1.09 H new ATOM 0 HZ2 LYS A 11 8.552 -12.538 -18.603 1.00 1.09 H new ATOM 0 HZ3 LYS A 11 8.348 -13.559 -17.263 1.00 1.09 H new ATOM 173 N LEU A 12 3.692 -11.611 -16.196 1.00 0.56 N ATOM 174 CA LEU A 12 3.139 -12.389 -17.290 1.00 0.72 C ATOM 175 C LEU A 12 2.316 -11.486 -18.198 1.00 0.94 C ATOM 176 O LEU A 12 2.285 -11.657 -19.417 1.00 1.09 O ATOM 177 CB LEU A 12 2.255 -13.496 -16.717 1.00 0.85 C ATOM 178 CG LEU A 12 3.002 -14.722 -16.180 1.00 1.76 C ATOM 179 CD1 LEU A 12 2.034 -15.683 -15.506 1.00 2.45 C ATOM 180 CD2 LEU A 12 3.752 -15.424 -17.303 1.00 2.34 C ATOM 0 H LEU A 12 3.400 -11.929 -15.272 1.00 0.56 H new ATOM 0 HA LEU A 12 3.947 -12.832 -17.872 1.00 0.72 H new ATOM 0 HB2 LEU A 12 1.653 -13.076 -15.911 1.00 0.85 H new ATOM 0 HB3 LEU A 12 1.564 -13.824 -17.493 1.00 0.85 H new ATOM 0 HG LEU A 12 3.727 -14.385 -15.439 1.00 1.76 H new ATOM 0 HD11 LEU A 12 2.582 -16.548 -15.131 1.00 2.45 H new ATOM 0 HD12 LEU A 12 1.539 -15.179 -14.676 1.00 2.45 H new ATOM 0 HD13 LEU A 12 1.287 -16.012 -16.228 1.00 2.45 H new ATOM 0 HD21 LEU A 12 4.276 -16.292 -16.903 1.00 2.34 H new ATOM 0 HD22 LEU A 12 3.044 -15.747 -18.066 1.00 2.34 H new ATOM 0 HD23 LEU A 12 4.473 -14.736 -17.745 1.00 2.34 H new ATOM 192 N TYR A 13 1.648 -10.522 -17.573 1.00 1.02 N ATOM 193 CA TYR A 13 0.809 -9.563 -18.277 1.00 1.30 C ATOM 194 C TYR A 13 1.620 -8.762 -19.295 1.00 1.42 C ATOM 195 O TYR A 13 1.076 -8.259 -20.279 1.00 1.64 O ATOM 196 CB TYR A 13 0.123 -8.652 -17.241 1.00 1.46 C ATOM 197 CG TYR A 13 0.230 -7.163 -17.495 1.00 0.79 C ATOM 198 CD1 TYR A 13 -0.491 -6.568 -18.523 1.00 1.62 C ATOM 199 CD2 TYR A 13 1.020 -6.356 -16.694 1.00 0.84 C ATOM 200 CE1 TYR A 13 -0.422 -5.210 -18.748 1.00 2.38 C ATOM 201 CE2 TYR A 13 1.098 -4.993 -16.914 1.00 1.86 C ATOM 202 CZ TYR A 13 0.373 -4.427 -17.944 1.00 2.53 C ATOM 203 OH TYR A 13 0.440 -3.073 -18.166 1.00 3.65 O ATOM 0 H TYR A 13 1.674 -10.385 -16.563 1.00 1.02 H new ATOM 0 HA TYR A 13 0.043 -10.092 -18.844 1.00 1.30 H new ATOM 0 HB2 TYR A 13 -0.933 -8.918 -17.195 1.00 1.46 H new ATOM 0 HB3 TYR A 13 0.549 -8.865 -16.260 1.00 1.46 H new ATOM 0 HD1 TYR A 13 -1.116 -7.180 -19.156 1.00 1.62 H new ATOM 0 HD2 TYR A 13 1.584 -6.798 -15.885 1.00 0.84 H new ATOM 0 HE1 TYR A 13 -0.989 -4.763 -19.551 1.00 2.38 H new ATOM 0 HE2 TYR A 13 1.722 -4.375 -16.285 1.00 1.86 H new ATOM 0 HH TYR A 13 -0.130 -2.607 -17.519 1.00 3.65 H new ATOM 213 N GLU A 14 2.924 -8.665 -19.066 1.00 1.33 N ATOM 214 CA GLU A 14 3.803 -7.925 -19.965 1.00 1.55 C ATOM 215 C GLU A 14 5.101 -8.687 -20.213 1.00 1.60 C ATOM 216 O GLU A 14 5.969 -8.755 -19.344 1.00 2.23 O ATOM 217 CB GLU A 14 4.105 -6.546 -19.382 1.00 1.72 C ATOM 218 CG GLU A 14 4.208 -6.544 -17.866 1.00 1.61 C ATOM 219 CD GLU A 14 4.595 -5.189 -17.306 1.00 1.85 C ATOM 220 OE1 GLU A 14 5.372 -4.472 -17.971 1.00 1.82 O ATOM 221 OE2 GLU A 14 4.118 -4.843 -16.205 1.00 2.53 O ATOM 0 H GLU A 14 3.396 -9.088 -18.267 1.00 1.33 H new ATOM 0 HA GLU A 14 3.293 -7.806 -20.921 1.00 1.55 H new ATOM 0 HB2 GLU A 14 5.040 -6.178 -19.803 1.00 1.72 H new ATOM 0 HB3 GLU A 14 3.323 -5.851 -19.687 1.00 1.72 H new ATOM 0 HG2 GLU A 14 3.252 -6.848 -17.441 1.00 1.61 H new ATOM 0 HG3 GLU A 14 4.945 -7.285 -17.555 1.00 1.61 H new ATOM 228 N LEU A 15 5.228 -9.256 -21.408 1.00 1.56 N ATOM 229 CA LEU A 15 6.419 -10.013 -21.770 1.00 1.66 C ATOM 230 C LEU A 15 7.190 -9.321 -22.891 1.00 1.98 C ATOM 231 O LEU A 15 8.351 -9.642 -23.150 1.00 2.56 O ATOM 232 CB LEU A 15 6.034 -11.435 -22.193 1.00 1.80 C ATOM 233 CG LEU A 15 7.209 -12.384 -22.444 1.00 1.98 C ATOM 234 CD1 LEU A 15 8.014 -12.588 -21.169 1.00 2.55 C ATOM 235 CD2 LEU A 15 6.708 -13.717 -22.978 1.00 1.86 C ATOM 0 H LEU A 15 4.520 -9.207 -22.141 1.00 1.56 H new ATOM 0 HA LEU A 15 7.066 -10.065 -20.895 1.00 1.66 H new ATOM 0 HB2 LEU A 15 5.398 -11.867 -21.420 1.00 1.80 H new ATOM 0 HB3 LEU A 15 5.435 -11.376 -23.102 1.00 1.80 H new ATOM 0 HG LEU A 15 7.862 -11.935 -23.192 1.00 1.98 H new ATOM 0 HD11 LEU A 15 8.845 -13.265 -21.368 1.00 2.55 H new ATOM 0 HD12 LEU A 15 8.402 -11.629 -20.826 1.00 2.55 H new ATOM 0 HD13 LEU A 15 7.373 -13.016 -20.398 1.00 2.55 H new ATOM 0 HD21 LEU A 15 7.555 -14.381 -23.152 1.00 1.86 H new ATOM 0 HD22 LEU A 15 6.035 -14.170 -22.251 1.00 1.86 H new ATOM 0 HD23 LEU A 15 6.175 -13.556 -23.915 1.00 1.86 H new ATOM 247 N GLY A 16 6.540 -8.369 -23.553 1.00 1.91 N ATOM 248 CA GLY A 16 7.182 -7.648 -24.637 1.00 2.22 C ATOM 249 C GLY A 16 6.660 -6.233 -24.789 1.00 1.97 C ATOM 250 O GLY A 16 5.500 -5.954 -24.481 1.00 2.27 O ATOM 0 H GLY A 16 5.580 -8.084 -23.358 1.00 1.91 H new ATOM 0 HA2 GLY A 16 8.257 -7.617 -24.461 1.00 2.22 H new ATOM 0 HA3 GLY A 16 7.027 -8.190 -25.570 1.00 2.22 H new ATOM 254 N GLY A 17 7.519 -5.337 -25.266 1.00 1.84 N ATOM 255 CA GLY A 17 7.123 -3.952 -25.453 1.00 1.71 C ATOM 256 C GLY A 17 7.303 -3.124 -24.196 1.00 1.63 C ATOM 257 O GLY A 17 7.129 -1.906 -24.218 1.00 2.45 O ATOM 0 H GLY A 17 8.483 -5.545 -25.527 1.00 1.84 H new ATOM 0 HA2 GLY A 17 7.711 -3.515 -26.260 1.00 1.71 H new ATOM 0 HA3 GLY A 17 6.079 -3.914 -25.763 1.00 1.71 H new ATOM 261 N GLU A 18 7.655 -3.786 -23.099 1.00 1.16 N ATOM 262 CA GLU A 18 7.857 -3.105 -21.825 1.00 0.97 C ATOM 263 C GLU A 18 8.681 -3.956 -20.868 1.00 0.88 C ATOM 264 O GLU A 18 8.183 -4.404 -19.840 1.00 0.81 O ATOM 265 CB GLU A 18 6.508 -2.742 -21.198 1.00 0.88 C ATOM 266 CG GLU A 18 5.514 -3.892 -21.174 1.00 1.36 C ATOM 267 CD GLU A 18 4.108 -3.438 -20.831 1.00 1.94 C ATOM 268 OE1 GLU A 18 3.844 -3.178 -19.637 1.00 2.69 O ATOM 269 OE2 GLU A 18 3.272 -3.342 -21.753 1.00 2.24 O ATOM 0 H GLU A 18 7.806 -4.794 -23.066 1.00 1.16 H new ATOM 0 HA GLU A 18 8.414 -2.188 -22.016 1.00 0.97 H new ATOM 0 HB2 GLU A 18 6.673 -2.395 -20.178 1.00 0.88 H new ATOM 0 HB3 GLU A 18 6.073 -1.909 -21.751 1.00 0.88 H new ATOM 0 HG2 GLU A 18 5.507 -4.382 -22.148 1.00 1.36 H new ATOM 0 HG3 GLU A 18 5.840 -4.635 -20.446 1.00 1.36 H new ATOM 276 N PRO A 19 9.966 -4.186 -21.201 1.00 0.92 N ATOM 277 CA PRO A 19 10.868 -4.976 -20.360 1.00 0.87 C ATOM 278 C PRO A 19 11.169 -4.265 -19.050 1.00 0.77 C ATOM 279 O PRO A 19 11.324 -4.897 -18.006 1.00 0.77 O ATOM 280 CB PRO A 19 12.135 -5.100 -21.209 1.00 0.98 C ATOM 281 CG PRO A 19 12.090 -3.926 -22.122 1.00 1.05 C ATOM 282 CD PRO A 19 10.639 -3.696 -22.419 1.00 1.05 C ATOM 0 HA PRO A 19 10.441 -5.940 -20.082 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.031 -5.086 -20.589 1.00 0.98 H new ATOM 0 HB3 PRO A 19 12.148 -6.036 -21.767 1.00 0.98 H new ATOM 0 HG2 PRO A 19 12.537 -3.049 -21.654 1.00 1.05 H new ATOM 0 HG3 PRO A 19 12.651 -4.120 -23.036 1.00 1.05 H new ATOM 0 HD2 PRO A 19 10.427 -2.642 -22.601 1.00 1.05 H new ATOM 0 HD3 PRO A 19 10.317 -4.243 -23.305 1.00 1.05 H new ATOM 290 N GLU A 20 11.251 -2.941 -19.119 1.00 0.72 N ATOM 291 CA GLU A 20 11.522 -2.131 -17.942 1.00 0.64 C ATOM 292 C GLU A 20 10.344 -2.183 -16.979 1.00 0.56 C ATOM 293 O GLU A 20 10.522 -2.373 -15.777 1.00 0.46 O ATOM 294 CB GLU A 20 11.807 -0.684 -18.348 1.00 0.65 C ATOM 295 CG GLU A 20 13.019 -0.537 -19.254 1.00 0.74 C ATOM 296 CD GLU A 20 13.269 0.902 -19.662 1.00 1.61 C ATOM 297 OE1 GLU A 20 12.721 1.328 -20.700 1.00 2.56 O ATOM 298 OE2 GLU A 20 14.014 1.602 -18.944 1.00 1.54 O ATOM 0 H GLU A 20 11.133 -2.407 -19.980 1.00 0.72 H new ATOM 0 HA GLU A 20 12.401 -2.534 -17.440 1.00 0.64 H new ATOM 0 HB2 GLU A 20 10.932 -0.278 -18.856 1.00 0.65 H new ATOM 0 HB3 GLU A 20 11.960 -0.086 -17.450 1.00 0.65 H new ATOM 0 HG2 GLU A 20 13.900 -0.924 -18.742 1.00 0.74 H new ATOM 0 HG3 GLU A 20 12.876 -1.145 -20.147 1.00 0.74 H new ATOM 305 N ARG A 21 9.137 -2.011 -17.514 1.00 0.61 N ATOM 306 CA ARG A 21 7.931 -2.050 -16.694 1.00 0.55 C ATOM 307 C ARG A 21 7.646 -3.466 -16.217 1.00 0.49 C ATOM 308 O ARG A 21 7.134 -3.663 -15.117 1.00 0.40 O ATOM 309 CB ARG A 21 6.736 -1.477 -17.454 1.00 0.63 C ATOM 310 CG ARG A 21 6.739 0.043 -17.515 1.00 0.78 C ATOM 311 CD ARG A 21 7.787 0.566 -18.486 1.00 1.54 C ATOM 312 NE ARG A 21 7.825 2.026 -18.515 1.00 2.01 N ATOM 313 CZ ARG A 21 8.257 2.734 -19.554 1.00 2.86 C ATOM 314 NH1 ARG A 21 8.690 2.119 -20.646 1.00 3.36 N ATOM 315 NH2 ARG A 21 8.256 4.059 -19.500 1.00 3.57 N ATOM 0 H ARG A 21 8.970 -1.844 -18.506 1.00 0.61 H new ATOM 0 HA ARG A 21 8.099 -1.427 -15.816 1.00 0.55 H new ATOM 0 HB2 ARG A 21 6.734 -1.875 -18.469 1.00 0.63 H new ATOM 0 HB3 ARG A 21 5.815 -1.813 -16.978 1.00 0.63 H new ATOM 0 HG2 ARG A 21 5.754 0.397 -17.818 1.00 0.78 H new ATOM 0 HG3 ARG A 21 6.931 0.447 -16.521 1.00 0.78 H new ATOM 0 HD2 ARG A 21 8.767 0.183 -18.202 1.00 1.54 H new ATOM 0 HD3 ARG A 21 7.575 0.189 -19.486 1.00 1.54 H new ATOM 0 HE ARG A 21 7.501 2.532 -17.690 1.00 2.01 H new ATOM 0 HH11 ARG A 21 8.692 1.100 -20.690 1.00 3.36 H new ATOM 0 HH12 ARG A 21 9.021 2.665 -21.442 1.00 3.36 H new ATOM 0 HH21 ARG A 21 7.924 4.535 -18.661 1.00 3.57 H new ATOM 0 HH22 ARG A 21 8.587 4.602 -20.297 1.00 3.57 H new ATOM 329 N LYS A 22 7.969 -4.453 -17.048 1.00 0.56 N ATOM 330 CA LYS A 22 7.763 -5.843 -16.671 1.00 0.54 C ATOM 331 C LYS A 22 8.765 -6.216 -15.586 1.00 0.48 C ATOM 332 O LYS A 22 8.482 -7.032 -14.708 1.00 0.44 O ATOM 333 CB LYS A 22 7.883 -6.763 -17.893 1.00 0.68 C ATOM 334 CG LYS A 22 9.123 -7.643 -17.909 1.00 0.64 C ATOM 335 CD LYS A 22 9.413 -8.160 -19.306 1.00 0.72 C ATOM 336 CE LYS A 22 10.782 -8.811 -19.372 1.00 0.79 C ATOM 337 NZ LYS A 22 11.870 -7.810 -19.539 1.00 1.43 N ATOM 0 H LYS A 22 8.370 -4.316 -17.976 1.00 0.56 H new ATOM 0 HA LYS A 22 6.755 -5.970 -16.277 1.00 0.54 H new ATOM 0 HB2 LYS A 22 7.001 -7.402 -17.938 1.00 0.68 H new ATOM 0 HB3 LYS A 22 7.878 -6.150 -18.794 1.00 0.68 H new ATOM 0 HG2 LYS A 22 9.979 -7.076 -17.544 1.00 0.64 H new ATOM 0 HG3 LYS A 22 8.984 -8.484 -17.229 1.00 0.64 H new ATOM 0 HD2 LYS A 22 8.649 -8.881 -19.596 1.00 0.72 H new ATOM 0 HD3 LYS A 22 9.363 -7.338 -20.020 1.00 0.72 H new ATOM 0 HE2 LYS A 22 10.954 -9.385 -18.461 1.00 0.79 H new ATOM 0 HE3 LYS A 22 10.808 -9.516 -20.203 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 12.763 -8.206 -19.183 1.00 1.43 H new ATOM 0 HZ2 LYS A 22 11.973 -7.574 -20.547 1.00 1.43 H new ATOM 0 HZ3 LYS A 22 11.635 -6.950 -19.004 1.00 1.43 H new ATOM 351 N MET A 23 9.948 -5.614 -15.659 1.00 0.50 N ATOM 352 CA MET A 23 10.973 -5.854 -14.660 1.00 0.48 C ATOM 353 C MET A 23 10.541 -5.232 -13.342 1.00 0.39 C ATOM 354 O MET A 23 10.591 -5.874 -12.295 1.00 0.38 O ATOM 355 CB MET A 23 12.314 -5.263 -15.100 1.00 0.54 C ATOM 356 CG MET A 23 13.416 -5.426 -14.063 1.00 0.56 C ATOM 357 SD MET A 23 14.941 -4.584 -14.528 1.00 1.25 S ATOM 358 CE MET A 23 16.011 -5.049 -13.169 1.00 1.23 C ATOM 0 H MET A 23 10.216 -4.961 -16.396 1.00 0.50 H new ATOM 0 HA MET A 23 11.101 -6.930 -14.538 1.00 0.48 H new ATOM 0 HB2 MET A 23 12.626 -5.741 -16.029 1.00 0.54 H new ATOM 0 HB3 MET A 23 12.182 -4.203 -15.316 1.00 0.54 H new ATOM 0 HG2 MET A 23 13.069 -5.037 -13.106 1.00 0.56 H new ATOM 0 HG3 MET A 23 13.621 -6.487 -13.920 1.00 0.56 H new ATOM 0 HE1 MET A 23 16.996 -4.604 -13.312 1.00 1.23 H new ATOM 0 HE2 MET A 23 15.584 -4.692 -12.232 1.00 1.23 H new ATOM 0 HE3 MET A 23 16.105 -6.134 -13.135 1.00 1.23 H new ATOM 368 N TRP A 24 10.090 -3.978 -13.412 1.00 0.37 N ATOM 369 CA TRP A 24 9.634 -3.260 -12.230 1.00 0.31 C ATOM 370 C TRP A 24 8.429 -3.967 -11.621 1.00 0.25 C ATOM 371 O TRP A 24 8.314 -4.080 -10.396 1.00 0.29 O ATOM 372 CB TRP A 24 9.295 -1.800 -12.573 1.00 0.34 C ATOM 373 CG TRP A 24 9.963 -0.814 -11.662 1.00 0.44 C ATOM 374 CD1 TRP A 24 9.776 -0.686 -10.316 1.00 1.02 C ATOM 375 CD2 TRP A 24 10.925 0.181 -12.031 1.00 0.95 C ATOM 376 NE1 TRP A 24 10.563 0.328 -9.824 1.00 1.14 N ATOM 377 CE2 TRP A 24 11.277 0.876 -10.858 1.00 1.01 C ATOM 378 CE3 TRP A 24 11.525 0.552 -13.238 1.00 1.77 C ATOM 379 CZ2 TRP A 24 12.200 1.918 -10.858 1.00 1.49 C ATOM 380 CZ3 TRP A 24 12.440 1.588 -13.237 1.00 2.34 C ATOM 381 CH2 TRP A 24 12.771 2.260 -12.054 1.00 2.12 C ATOM 0 H TRP A 24 10.032 -3.442 -14.278 1.00 0.37 H new ATOM 0 HA TRP A 24 10.440 -3.251 -11.496 1.00 0.31 H new ATOM 0 HB2 TRP A 24 9.593 -1.596 -13.601 1.00 0.34 H new ATOM 0 HB3 TRP A 24 8.215 -1.661 -12.520 1.00 0.34 H new ATOM 0 HD1 TRP A 24 9.107 -1.293 -9.724 1.00 1.02 H new ATOM 0 HE1 TRP A 24 10.608 0.624 -8.849 1.00 1.14 H new ATOM 0 HE3 TRP A 24 11.278 0.038 -14.155 1.00 1.77 H new ATOM 0 HZ2 TRP A 24 12.456 2.438 -9.947 1.00 1.49 H new ATOM 0 HZ3 TRP A 24 12.908 1.884 -14.164 1.00 2.34 H new ATOM 0 HH2 TRP A 24 13.491 3.064 -12.086 1.00 2.12 H new ATOM 392 N VAL A 25 7.535 -4.457 -12.480 1.00 0.21 N ATOM 393 CA VAL A 25 6.359 -5.168 -12.006 1.00 0.20 C ATOM 394 C VAL A 25 6.801 -6.453 -11.302 1.00 0.22 C ATOM 395 O VAL A 25 6.259 -6.830 -10.255 1.00 0.22 O ATOM 396 CB VAL A 25 5.352 -5.489 -13.153 1.00 0.25 C ATOM 397 CG1 VAL A 25 5.588 -6.871 -13.739 1.00 0.32 C ATOM 398 CG2 VAL A 25 3.926 -5.371 -12.650 1.00 0.30 C ATOM 0 H VAL A 25 7.605 -4.374 -13.494 1.00 0.21 H new ATOM 0 HA VAL A 25 5.832 -4.520 -11.305 1.00 0.20 H new ATOM 0 HB VAL A 25 5.514 -4.760 -13.947 1.00 0.25 H new ATOM 0 HG11 VAL A 25 4.867 -7.057 -14.535 1.00 0.32 H new ATOM 0 HG12 VAL A 25 6.598 -6.927 -14.145 1.00 0.32 H new ATOM 0 HG13 VAL A 25 5.469 -7.622 -12.958 1.00 0.32 H new ATOM 0 HG21 VAL A 25 3.234 -5.598 -13.461 1.00 0.30 H new ATOM 0 HG22 VAL A 25 3.769 -6.074 -11.832 1.00 0.30 H new ATOM 0 HG23 VAL A 25 3.748 -4.356 -12.295 1.00 0.30 H new ATOM 408 N ASP A 26 7.807 -7.110 -11.882 1.00 0.28 N ATOM 409 CA ASP A 26 8.354 -8.333 -11.310 1.00 0.35 C ATOM 410 C ASP A 26 8.932 -8.041 -9.932 1.00 0.35 C ATOM 411 O ASP A 26 8.819 -8.853 -9.014 1.00 0.38 O ATOM 412 CB ASP A 26 9.437 -8.911 -12.223 1.00 0.45 C ATOM 413 CG ASP A 26 10.065 -10.168 -11.652 1.00 0.53 C ATOM 414 OD1 ASP A 26 9.492 -11.260 -11.847 1.00 0.60 O ATOM 415 OD2 ASP A 26 11.129 -10.059 -11.007 1.00 0.58 O ATOM 0 H ASP A 26 8.257 -6.812 -12.748 1.00 0.28 H new ATOM 0 HA ASP A 26 7.554 -9.067 -11.215 1.00 0.35 H new ATOM 0 HB2 ASP A 26 9.005 -9.135 -13.198 1.00 0.45 H new ATOM 0 HB3 ASP A 26 10.212 -8.161 -12.383 1.00 0.45 H new ATOM 420 N ARG A 27 9.556 -6.873 -9.802 1.00 0.36 N ATOM 421 CA ARG A 27 10.140 -6.453 -8.535 1.00 0.42 C ATOM 422 C ARG A 27 9.048 -6.316 -7.486 1.00 0.34 C ATOM 423 O ARG A 27 9.185 -6.798 -6.360 1.00 0.35 O ATOM 424 CB ARG A 27 10.866 -5.119 -8.700 1.00 0.56 C ATOM 425 CG ARG A 27 11.812 -5.093 -9.879 1.00 0.99 C ATOM 426 CD ARG A 27 13.227 -4.748 -9.453 1.00 1.61 C ATOM 427 NE ARG A 27 13.326 -3.389 -8.927 1.00 2.45 N ATOM 428 CZ ARG A 27 14.407 -2.624 -9.052 1.00 3.19 C ATOM 429 NH1 ARG A 27 15.478 -3.081 -9.689 1.00 3.22 N ATOM 430 NH2 ARG A 27 14.418 -1.401 -8.542 1.00 4.08 N ATOM 0 H ARG A 27 9.669 -6.201 -10.561 1.00 0.36 H new ATOM 0 HA ARG A 27 10.859 -7.207 -8.214 1.00 0.42 H new ATOM 0 HB2 ARG A 27 10.129 -4.325 -8.817 1.00 0.56 H new ATOM 0 HB3 ARG A 27 11.425 -4.903 -7.790 1.00 0.56 H new ATOM 0 HG2 ARG A 27 11.807 -6.065 -10.372 1.00 0.99 H new ATOM 0 HG3 ARG A 27 11.463 -4.363 -10.610 1.00 0.99 H new ATOM 0 HD2 ARG A 27 13.559 -5.456 -8.693 1.00 1.61 H new ATOM 0 HD3 ARG A 27 13.898 -4.856 -10.305 1.00 1.61 H new ATOM 0 HE ARG A 27 12.519 -3.004 -8.435 1.00 2.45 H new ATOM 0 HH11 ARG A 27 15.474 -4.021 -10.084 1.00 3.22 H new ATOM 0 HH12 ARG A 27 16.305 -2.492 -9.783 1.00 3.22 H new ATOM 0 HH21 ARG A 27 13.597 -1.045 -8.053 1.00 4.08 H new ATOM 0 HH22 ARG A 27 15.248 -0.816 -8.639 1.00 4.08 H new ATOM 444 N TYR A 28 7.958 -5.655 -7.870 1.00 0.31 N ATOM 445 CA TYR A 28 6.832 -5.461 -6.967 1.00 0.35 C ATOM 446 C TYR A 28 6.330 -6.808 -6.462 1.00 0.33 C ATOM 447 O TYR A 28 6.086 -6.986 -5.267 1.00 0.38 O ATOM 448 CB TYR A 28 5.699 -4.723 -7.684 1.00 0.41 C ATOM 449 CG TYR A 28 4.810 -3.917 -6.764 1.00 0.72 C ATOM 450 CD1 TYR A 28 4.215 -4.496 -5.648 1.00 0.98 C ATOM 451 CD2 TYR A 28 4.565 -2.574 -7.013 1.00 1.47 C ATOM 452 CE1 TYR A 28 3.404 -3.757 -4.808 1.00 1.22 C ATOM 453 CE2 TYR A 28 3.757 -1.830 -6.178 1.00 1.82 C ATOM 454 CZ TYR A 28 3.178 -2.425 -5.077 1.00 1.48 C ATOM 455 OH TYR A 28 2.375 -1.684 -4.244 1.00 1.87 O ATOM 0 H TYR A 28 7.833 -5.247 -8.797 1.00 0.31 H new ATOM 0 HA TYR A 28 7.164 -4.862 -6.119 1.00 0.35 H new ATOM 0 HB2 TYR A 28 6.129 -4.057 -8.432 1.00 0.41 H new ATOM 0 HB3 TYR A 28 5.087 -5.450 -8.219 1.00 0.41 H new ATOM 0 HD1 TYR A 28 4.390 -5.540 -5.435 1.00 0.98 H new ATOM 0 HD2 TYR A 28 5.014 -2.103 -7.875 1.00 1.47 H new ATOM 0 HE1 TYR A 28 2.950 -4.221 -3.945 1.00 1.22 H new ATOM 0 HE2 TYR A 28 3.579 -0.785 -6.386 1.00 1.82 H new ATOM 0 HH TYR A 28 1.511 -2.134 -4.137 1.00 1.87 H new ATOM 465 N LEU A 29 6.189 -7.761 -7.379 1.00 0.34 N ATOM 466 CA LEU A 29 5.728 -9.093 -7.013 1.00 0.45 C ATOM 467 C LEU A 29 6.697 -9.756 -6.047 1.00 0.41 C ATOM 468 O LEU A 29 6.286 -10.331 -5.041 1.00 0.44 O ATOM 469 CB LEU A 29 5.530 -9.955 -8.259 1.00 0.59 C ATOM 470 CG LEU A 29 4.124 -9.893 -8.856 1.00 0.74 C ATOM 471 CD1 LEU A 29 3.134 -10.614 -7.956 1.00 0.97 C ATOM 472 CD2 LEU A 29 3.694 -8.448 -9.062 1.00 1.33 C ATOM 0 H LEU A 29 6.386 -7.636 -8.372 1.00 0.34 H new ATOM 0 HA LEU A 29 4.766 -8.993 -6.510 1.00 0.45 H new ATOM 0 HB2 LEU A 29 6.247 -9.644 -9.018 1.00 0.59 H new ATOM 0 HB3 LEU A 29 5.760 -10.991 -8.009 1.00 0.59 H new ATOM 0 HG LEU A 29 4.140 -10.390 -9.826 1.00 0.74 H new ATOM 0 HD11 LEU A 29 2.138 -10.561 -8.395 1.00 0.97 H new ATOM 0 HD12 LEU A 29 3.430 -11.658 -7.853 1.00 0.97 H new ATOM 0 HD13 LEU A 29 3.124 -10.141 -6.974 1.00 0.97 H new ATOM 0 HD21 LEU A 29 2.691 -8.424 -9.488 1.00 1.33 H new ATOM 0 HD22 LEU A 29 3.694 -7.928 -8.104 1.00 1.33 H new ATOM 0 HD23 LEU A 29 4.389 -7.955 -9.742 1.00 1.33 H new ATOM 484 N ALA A 30 7.989 -9.657 -6.342 1.00 0.41 N ATOM 485 CA ALA A 30 8.999 -10.236 -5.472 1.00 0.48 C ATOM 486 C ALA A 30 8.887 -9.615 -4.092 1.00 0.38 C ATOM 487 O ALA A 30 9.174 -10.253 -3.081 1.00 0.42 O ATOM 488 CB ALA A 30 10.391 -10.028 -6.049 1.00 0.63 C ATOM 0 H ALA A 30 8.356 -9.186 -7.169 1.00 0.41 H new ATOM 0 HA ALA A 30 8.832 -11.310 -5.394 1.00 0.48 H new ATOM 0 HB1 ALA A 30 11.131 -10.469 -5.382 1.00 0.63 H new ATOM 0 HB2 ALA A 30 10.454 -10.505 -7.027 1.00 0.63 H new ATOM 0 HB3 ALA A 30 10.586 -8.961 -6.152 1.00 0.63 H new ATOM 494 N PHE A 31 8.467 -8.356 -4.068 1.00 0.33 N ATOM 495 CA PHE A 31 8.275 -7.632 -2.821 1.00 0.37 C ATOM 496 C PHE A 31 7.070 -8.193 -2.075 1.00 0.34 C ATOM 497 O PHE A 31 7.109 -8.365 -0.869 1.00 0.38 O ATOM 498 CB PHE A 31 8.075 -6.142 -3.105 1.00 0.48 C ATOM 499 CG PHE A 31 8.235 -5.266 -1.897 1.00 0.65 C ATOM 500 CD1 PHE A 31 7.168 -5.047 -1.040 1.00 0.82 C ATOM 501 CD2 PHE A 31 9.451 -4.664 -1.615 1.00 0.78 C ATOM 502 CE1 PHE A 31 7.311 -4.243 0.075 1.00 0.99 C ATOM 503 CE2 PHE A 31 9.599 -3.859 -0.502 1.00 0.95 C ATOM 504 CZ PHE A 31 8.534 -3.639 0.337 1.00 1.02 C ATOM 0 H PHE A 31 8.252 -7.814 -4.905 1.00 0.33 H new ATOM 0 HA PHE A 31 9.162 -7.753 -2.199 1.00 0.37 H new ATOM 0 HB2 PHE A 31 8.789 -5.828 -3.866 1.00 0.48 H new ATOM 0 HB3 PHE A 31 7.079 -5.992 -3.521 1.00 0.48 H new ATOM 0 HD1 PHE A 31 6.214 -5.510 -1.246 1.00 0.82 H new ATOM 0 HD2 PHE A 31 10.292 -4.826 -2.273 1.00 0.78 H new ATOM 0 HE1 PHE A 31 6.475 -4.085 0.740 1.00 0.99 H new ATOM 0 HE2 PHE A 31 10.554 -3.402 -0.291 1.00 0.95 H new ATOM 0 HZ PHE A 31 8.647 -2.998 1.199 1.00 1.02 H new ATOM 514 N THR A 32 6.000 -8.499 -2.789 1.00 0.36 N ATOM 515 CA THR A 32 4.817 -9.039 -2.135 1.00 0.46 C ATOM 516 C THR A 32 5.112 -10.401 -1.503 1.00 0.43 C ATOM 517 O THR A 32 4.694 -10.672 -0.382 1.00 0.48 O ATOM 518 CB THR A 32 3.627 -9.172 -3.106 1.00 0.57 C ATOM 519 OG1 THR A 32 3.908 -10.166 -4.099 1.00 0.56 O ATOM 520 CG2 THR A 32 3.333 -7.842 -3.784 1.00 0.60 C ATOM 0 H THR A 32 5.924 -8.387 -3.800 1.00 0.36 H new ATOM 0 HA THR A 32 4.543 -8.329 -1.354 1.00 0.46 H new ATOM 0 HB THR A 32 2.751 -9.473 -2.531 1.00 0.57 H new ATOM 0 HG1 THR A 32 4.738 -9.936 -4.566 1.00 0.56 H new ATOM 0 HG21 THR A 32 2.490 -7.959 -4.465 1.00 0.60 H new ATOM 0 HG22 THR A 32 3.089 -7.095 -3.029 1.00 0.60 H new ATOM 0 HG23 THR A 32 4.210 -7.518 -4.345 1.00 0.60 H new ATOM 528 N GLU A 33 5.828 -11.255 -2.226 1.00 0.43 N ATOM 529 CA GLU A 33 6.166 -12.589 -1.721 1.00 0.50 C ATOM 530 C GLU A 33 7.228 -12.544 -0.621 1.00 0.45 C ATOM 531 O GLU A 33 7.156 -13.290 0.357 1.00 0.46 O ATOM 532 CB GLU A 33 6.654 -13.470 -2.867 1.00 0.64 C ATOM 533 CG GLU A 33 5.897 -13.227 -4.155 1.00 0.47 C ATOM 534 CD GLU A 33 6.522 -13.924 -5.348 1.00 1.01 C ATOM 535 OE1 GLU A 33 7.395 -13.315 -6.001 1.00 1.45 O ATOM 536 OE2 GLU A 33 6.140 -15.079 -5.629 1.00 1.10 O ATOM 0 H GLU A 33 6.186 -11.053 -3.159 1.00 0.43 H new ATOM 0 HA GLU A 33 5.259 -13.008 -1.285 1.00 0.50 H new ATOM 0 HB2 GLU A 33 7.715 -13.286 -3.034 1.00 0.64 H new ATOM 0 HB3 GLU A 33 6.553 -14.517 -2.583 1.00 0.64 H new ATOM 0 HG2 GLU A 33 4.870 -13.571 -4.037 1.00 0.47 H new ATOM 0 HG3 GLU A 33 5.854 -12.155 -4.348 1.00 0.47 H new ATOM 543 N GLU A 34 8.211 -11.665 -0.788 1.00 0.45 N ATOM 544 CA GLU A 34 9.314 -11.541 0.165 1.00 0.52 C ATOM 545 C GLU A 34 8.833 -11.232 1.581 1.00 0.49 C ATOM 546 O GLU A 34 9.411 -11.713 2.556 1.00 0.55 O ATOM 547 CB GLU A 34 10.283 -10.451 -0.299 1.00 0.61 C ATOM 548 CG GLU A 34 11.564 -10.385 0.514 1.00 0.73 C ATOM 549 CD GLU A 34 12.401 -11.643 0.387 1.00 1.37 C ATOM 550 OE1 GLU A 34 13.236 -11.709 -0.540 1.00 1.28 O ATOM 551 OE2 GLU A 34 12.221 -12.563 1.212 1.00 2.24 O ATOM 0 H GLU A 34 8.268 -11.023 -1.579 1.00 0.45 H new ATOM 0 HA GLU A 34 9.821 -12.506 0.197 1.00 0.52 H new ATOM 0 HB2 GLU A 34 10.536 -10.624 -1.345 1.00 0.61 H new ATOM 0 HB3 GLU A 34 9.781 -9.485 -0.248 1.00 0.61 H new ATOM 0 HG2 GLU A 34 12.153 -9.527 0.189 1.00 0.73 H new ATOM 0 HG3 GLU A 34 11.316 -10.222 1.563 1.00 0.73 H new ATOM 558 N LYS A 35 7.778 -10.435 1.696 1.00 0.47 N ATOM 559 CA LYS A 35 7.248 -10.056 3.004 1.00 0.53 C ATOM 560 C LYS A 35 5.943 -10.769 3.310 1.00 0.45 C ATOM 561 O LYS A 35 5.276 -10.442 4.292 1.00 0.55 O ATOM 562 CB LYS A 35 7.014 -8.545 3.073 1.00 0.74 C ATOM 563 CG LYS A 35 8.244 -7.726 2.739 1.00 0.97 C ATOM 564 CD LYS A 35 8.383 -7.541 1.249 1.00 1.26 C ATOM 565 CE LYS A 35 9.726 -6.933 0.885 1.00 2.35 C ATOM 566 NZ LYS A 35 10.846 -7.567 1.634 1.00 3.30 N ATOM 0 H LYS A 35 7.273 -10.039 0.904 1.00 0.47 H new ATOM 0 HA LYS A 35 7.991 -10.351 3.745 1.00 0.53 H new ATOM 0 HB2 LYS A 35 6.212 -8.278 2.385 1.00 0.74 H new ATOM 0 HB3 LYS A 35 6.675 -8.284 4.075 1.00 0.74 H new ATOM 0 HG2 LYS A 35 8.180 -6.753 3.225 1.00 0.97 H new ATOM 0 HG3 LYS A 35 9.132 -8.221 3.132 1.00 0.97 H new ATOM 0 HD2 LYS A 35 8.271 -8.504 0.750 1.00 1.26 H new ATOM 0 HD3 LYS A 35 7.581 -6.899 0.885 1.00 1.26 H new ATOM 0 HE2 LYS A 35 9.897 -7.045 -0.186 1.00 2.35 H new ATOM 0 HE3 LYS A 35 9.709 -5.864 1.095 1.00 2.35 H new ATOM 0 HZ1 LYS A 35 11.669 -7.671 1.006 1.00 3.30 H new ATOM 0 HZ2 LYS A 35 11.103 -6.970 2.446 1.00 3.30 H new ATOM 0 HZ3 LYS A 35 10.550 -8.504 1.974 1.00 3.30 H new ATOM 580 N ALA A 36 5.576 -11.740 2.480 1.00 0.43 N ATOM 581 CA ALA A 36 4.317 -12.439 2.676 1.00 0.63 C ATOM 582 C ALA A 36 3.207 -11.402 2.693 1.00 0.78 C ATOM 583 O ALA A 36 2.207 -11.534 3.400 1.00 0.99 O ATOM 584 CB ALA A 36 4.335 -13.245 3.968 1.00 0.74 C ATOM 0 H ALA A 36 6.124 -12.055 1.679 1.00 0.43 H new ATOM 0 HA ALA A 36 4.152 -13.149 1.865 1.00 0.63 H new ATOM 0 HB1 ALA A 36 3.381 -13.758 4.090 1.00 0.74 H new ATOM 0 HB2 ALA A 36 5.139 -13.979 3.927 1.00 0.74 H new ATOM 0 HB3 ALA A 36 4.497 -12.575 4.812 1.00 0.74 H new ATOM 590 N MET A 37 3.414 -10.368 1.883 1.00 0.79 N ATOM 591 CA MET A 37 2.491 -9.253 1.769 1.00 1.04 C ATOM 592 C MET A 37 1.074 -9.743 1.487 1.00 1.22 C ATOM 593 O MET A 37 0.095 -9.068 1.805 1.00 1.43 O ATOM 594 CB MET A 37 2.954 -8.325 0.651 1.00 1.08 C ATOM 595 CG MET A 37 2.723 -6.851 0.936 1.00 1.38 C ATOM 596 SD MET A 37 0.981 -6.392 0.886 1.00 2.05 S ATOM 597 CE MET A 37 0.609 -6.681 -0.841 1.00 1.97 C ATOM 0 H MET A 37 4.235 -10.284 1.284 1.00 0.79 H new ATOM 0 HA MET A 37 2.479 -8.711 2.715 1.00 1.04 H new ATOM 0 HB2 MET A 37 4.017 -8.488 0.474 1.00 1.08 H new ATOM 0 HB3 MET A 37 2.433 -8.593 -0.268 1.00 1.08 H new ATOM 0 HG2 MET A 37 3.130 -6.608 1.918 1.00 1.38 H new ATOM 0 HG3 MET A 37 3.272 -6.255 0.207 1.00 1.38 H new ATOM 0 HE1 MET A 37 0.048 -5.836 -1.239 1.00 1.97 H new ATOM 0 HE2 MET A 37 1.538 -6.794 -1.399 1.00 1.97 H new ATOM 0 HE3 MET A 37 0.014 -7.589 -0.938 1.00 1.97 H new ATOM 607 N GLY A 38 0.975 -10.929 0.892 1.00 1.22 N ATOM 608 CA GLY A 38 -0.320 -11.499 0.578 1.00 1.49 C ATOM 609 C GLY A 38 -0.213 -12.891 -0.012 1.00 1.30 C ATOM 610 O GLY A 38 -1.039 -13.758 0.280 1.00 1.95 O ATOM 0 H GLY A 38 1.772 -11.505 0.622 1.00 1.22 H new ATOM 0 HA2 GLY A 38 -0.926 -11.537 1.483 1.00 1.49 H new ATOM 0 HA3 GLY A 38 -0.839 -10.848 -0.126 1.00 1.49 H new ATOM 614 N MET A 39 0.804 -13.097 -0.849 1.00 1.05 N ATOM 615 CA MET A 39 1.039 -14.386 -1.505 1.00 0.97 C ATOM 616 C MET A 39 -0.016 -14.659 -2.578 1.00 0.81 C ATOM 617 O MET A 39 0.218 -15.433 -3.506 1.00 0.93 O ATOM 618 CB MET A 39 1.062 -15.525 -0.480 1.00 1.47 C ATOM 619 CG MET A 39 1.585 -16.836 -1.044 1.00 1.62 C ATOM 620 SD MET A 39 1.634 -18.154 0.188 1.00 2.14 S ATOM 621 CE MET A 39 -0.110 -18.364 0.530 1.00 2.33 C ATOM 0 H MET A 39 1.486 -12.379 -1.092 1.00 1.05 H new ATOM 0 HA MET A 39 2.014 -14.337 -1.989 1.00 0.97 H new ATOM 0 HB2 MET A 39 1.682 -15.229 0.366 1.00 1.47 H new ATOM 0 HB3 MET A 39 0.053 -15.680 -0.097 1.00 1.47 H new ATOM 0 HG2 MET A 39 0.954 -17.146 -1.877 1.00 1.62 H new ATOM 0 HG3 MET A 39 2.587 -16.681 -1.444 1.00 1.62 H new ATOM 0 HE1 MET A 39 -0.271 -19.320 1.028 1.00 2.33 H new ATOM 0 HE2 MET A 39 -0.454 -17.556 1.176 1.00 2.33 H new ATOM 0 HE3 MET A 39 -0.669 -18.343 -0.405 1.00 2.33 H new ATOM 631 N THR A 40 -1.175 -14.021 -2.442 1.00 0.66 N ATOM 632 CA THR A 40 -2.262 -14.178 -3.398 1.00 0.60 C ATOM 633 C THR A 40 -2.445 -12.880 -4.184 1.00 0.51 C ATOM 634 O THR A 40 -1.505 -12.098 -4.311 1.00 0.46 O ATOM 635 CB THR A 40 -3.578 -14.562 -2.686 1.00 0.70 C ATOM 636 OG1 THR A 40 -4.590 -14.882 -3.648 1.00 1.26 O ATOM 637 CG2 THR A 40 -4.062 -13.435 -1.784 1.00 0.85 C ATOM 0 H THR A 40 -1.384 -13.386 -1.672 1.00 0.66 H new ATOM 0 HA THR A 40 -2.006 -14.985 -4.085 1.00 0.60 H new ATOM 0 HB THR A 40 -3.381 -15.438 -2.068 1.00 0.70 H new ATOM 0 HG1 THR A 40 -5.418 -15.125 -3.183 1.00 1.26 H new ATOM 0 HG21 THR A 40 -4.990 -13.733 -1.296 1.00 0.85 H new ATOM 0 HG22 THR A 40 -3.306 -13.224 -1.028 1.00 0.85 H new ATOM 0 HG23 THR A 40 -4.237 -12.540 -2.382 1.00 0.85 H new ATOM 645 N ASN A 41 -3.652 -12.620 -4.674 1.00 0.52 N ATOM 646 CA ASN A 41 -3.892 -11.406 -5.441 1.00 0.46 C ATOM 647 C ASN A 41 -4.382 -10.290 -4.526 1.00 0.49 C ATOM 648 O ASN A 41 -5.310 -10.477 -3.739 1.00 0.58 O ATOM 649 CB ASN A 41 -4.937 -11.663 -6.529 1.00 0.49 C ATOM 650 CG ASN A 41 -6.081 -12.532 -6.043 1.00 1.34 C ATOM 651 OD1 ASN A 41 -6.428 -12.522 -4.862 1.00 2.35 O ATOM 652 ND2 ASN A 41 -6.673 -13.296 -6.954 1.00 1.61 N ATOM 0 H ASN A 41 -4.466 -13.223 -4.556 1.00 0.52 H new ATOM 0 HA ASN A 41 -2.953 -11.105 -5.906 1.00 0.46 H new ATOM 0 HB2 ASN A 41 -5.333 -10.710 -6.880 1.00 0.49 H new ATOM 0 HB3 ASN A 41 -4.458 -12.143 -7.382 1.00 0.49 H new ATOM 0 HD21 ASN A 41 -7.446 -13.904 -6.685 1.00 1.61 H new ATOM 0 HD22 ASN A 41 -6.354 -13.274 -7.923 1.00 1.61 H new ATOM 659 N LEU A 42 -3.741 -9.135 -4.631 1.00 0.44 N ATOM 660 CA LEU A 42 -4.108 -7.978 -3.826 1.00 0.52 C ATOM 661 C LEU A 42 -4.187 -6.716 -4.695 1.00 0.49 C ATOM 662 O LEU A 42 -5.220 -6.047 -4.723 1.00 0.60 O ATOM 663 CB LEU A 42 -3.131 -7.808 -2.651 1.00 0.57 C ATOM 664 CG LEU A 42 -3.371 -6.580 -1.771 1.00 1.60 C ATOM 665 CD1 LEU A 42 -2.972 -6.874 -0.335 1.00 2.08 C ATOM 666 CD2 LEU A 42 -2.589 -5.385 -2.304 1.00 2.15 C ATOM 0 H LEU A 42 -2.961 -8.973 -5.268 1.00 0.44 H new ATOM 0 HA LEU A 42 -5.100 -8.143 -3.405 1.00 0.52 H new ATOM 0 HB2 LEU A 42 -3.184 -8.699 -2.025 1.00 0.57 H new ATOM 0 HB3 LEU A 42 -2.117 -7.757 -3.048 1.00 0.57 H new ATOM 0 HG LEU A 42 -4.434 -6.338 -1.794 1.00 1.60 H new ATOM 0 HD11 LEU A 42 -3.148 -5.991 0.280 1.00 2.08 H new ATOM 0 HD12 LEU A 42 -3.566 -7.705 0.045 1.00 2.08 H new ATOM 0 HD13 LEU A 42 -1.915 -7.137 -0.298 1.00 2.08 H new ATOM 0 HD21 LEU A 42 -2.770 -4.519 -1.668 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -1.524 -5.618 -2.306 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -2.913 -5.162 -3.321 1.00 2.15 H new ATOM 678 N PRO A 43 -3.095 -6.368 -5.413 1.00 0.38 N ATOM 679 CA PRO A 43 -3.071 -5.192 -6.294 1.00 0.40 C ATOM 680 C PRO A 43 -3.873 -5.395 -7.580 1.00 0.37 C ATOM 681 O PRO A 43 -3.521 -4.852 -8.627 1.00 0.35 O ATOM 682 CB PRO A 43 -1.592 -5.029 -6.646 1.00 0.40 C ATOM 683 CG PRO A 43 -0.985 -6.375 -6.436 1.00 0.32 C ATOM 684 CD PRO A 43 -1.800 -7.071 -5.396 1.00 0.34 C ATOM 0 HA PRO A 43 -3.517 -4.328 -5.801 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -1.468 -4.698 -7.677 1.00 0.40 H new ATOM 0 HB3 PRO A 43 -1.117 -4.280 -6.012 1.00 0.40 H new ATOM 0 HG2 PRO A 43 -0.981 -6.944 -7.366 1.00 0.32 H new ATOM 0 HG3 PRO A 43 0.052 -6.283 -6.114 1.00 0.32 H new ATOM 0 HD2 PRO A 43 -1.920 -8.129 -5.628 1.00 0.34 H new ATOM 0 HD3 PRO A 43 -1.328 -7.011 -4.415 1.00 0.34 H new ATOM 692 N ALA A 44 -4.964 -6.147 -7.498 1.00 0.42 N ATOM 693 CA ALA A 44 -5.789 -6.415 -8.673 1.00 0.42 C ATOM 694 C ALA A 44 -7.105 -5.647 -8.599 1.00 0.47 C ATOM 695 O ALA A 44 -7.681 -5.486 -7.523 1.00 0.59 O ATOM 696 CB ALA A 44 -6.056 -7.907 -8.794 1.00 0.52 C ATOM 0 H ALA A 44 -5.298 -6.580 -6.637 1.00 0.42 H new ATOM 0 HA ALA A 44 -5.248 -6.079 -9.557 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -6.672 -8.096 -9.673 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -5.110 -8.439 -8.892 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -6.578 -8.257 -7.903 1.00 0.52 H new ATOM 702 N VAL A 45 -7.574 -5.177 -9.751 1.00 0.42 N ATOM 703 CA VAL A 45 -8.816 -4.416 -9.814 1.00 0.47 C ATOM 704 C VAL A 45 -9.956 -5.260 -10.381 1.00 0.53 C ATOM 705 O VAL A 45 -9.725 -6.202 -11.139 1.00 0.55 O ATOM 706 CB VAL A 45 -8.654 -3.122 -10.642 1.00 0.41 C ATOM 707 CG1 VAL A 45 -7.354 -2.420 -10.275 1.00 0.45 C ATOM 708 CG2 VAL A 45 -8.708 -3.405 -12.137 1.00 0.34 C ATOM 0 H VAL A 45 -7.113 -5.310 -10.651 1.00 0.42 H new ATOM 0 HA VAL A 45 -9.065 -4.136 -8.791 1.00 0.47 H new ATOM 0 HB VAL A 45 -9.489 -2.464 -10.402 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -7.253 -1.510 -10.866 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -7.365 -2.165 -9.215 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -6.513 -3.082 -10.481 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -8.591 -2.472 -12.688 1.00 0.34 H new ATOM 0 HG22 VAL A 45 -7.904 -4.090 -12.407 1.00 0.34 H new ATOM 0 HG23 VAL A 45 -9.668 -3.856 -12.387 1.00 0.34 H new ATOM 718 N GLY A 46 -11.180 -4.910 -9.988 1.00 0.64 N ATOM 719 CA GLY A 46 -12.370 -5.626 -10.427 1.00 0.75 C ATOM 720 C GLY A 46 -12.272 -6.223 -11.821 1.00 0.74 C ATOM 721 O GLY A 46 -12.583 -7.398 -12.015 1.00 0.92 O ATOM 0 H GLY A 46 -11.371 -4.128 -9.361 1.00 0.64 H new ATOM 0 HA2 GLY A 46 -12.579 -6.427 -9.717 1.00 0.75 H new ATOM 0 HA3 GLY A 46 -13.220 -4.944 -10.397 1.00 0.75 H new ATOM 725 N ARG A 47 -11.840 -5.426 -12.796 1.00 0.63 N ATOM 726 CA ARG A 47 -11.736 -5.907 -14.172 1.00 0.64 C ATOM 727 C ARG A 47 -10.391 -6.588 -14.438 1.00 0.67 C ATOM 728 O ARG A 47 -10.228 -7.779 -14.169 1.00 1.20 O ATOM 729 CB ARG A 47 -11.960 -4.757 -15.157 1.00 0.63 C ATOM 730 CG ARG A 47 -12.936 -5.099 -16.270 1.00 0.39 C ATOM 731 CD ARG A 47 -12.330 -4.856 -17.642 1.00 1.19 C ATOM 732 NE ARG A 47 -13.295 -5.079 -18.715 1.00 1.66 N ATOM 733 CZ ARG A 47 -13.247 -4.456 -19.889 1.00 2.40 C ATOM 734 NH1 ARG A 47 -12.288 -3.573 -20.135 1.00 3.06 N ATOM 735 NH2 ARG A 47 -14.158 -4.714 -20.818 1.00 2.81 N ATOM 0 H ARG A 47 -11.559 -4.455 -12.662 1.00 0.63 H new ATOM 0 HA ARG A 47 -12.515 -6.656 -14.318 1.00 0.64 H new ATOM 0 HB2 ARG A 47 -12.331 -3.889 -14.612 1.00 0.63 H new ATOM 0 HB3 ARG A 47 -11.004 -4.473 -15.597 1.00 0.63 H new ATOM 0 HG2 ARG A 47 -13.235 -6.144 -16.184 1.00 0.39 H new ATOM 0 HG3 ARG A 47 -13.839 -4.499 -16.159 1.00 0.39 H new ATOM 0 HD2 ARG A 47 -11.957 -3.833 -17.697 1.00 1.19 H new ATOM 0 HD3 ARG A 47 -11.474 -5.516 -17.782 1.00 1.19 H new ATOM 0 HE ARG A 47 -14.047 -5.749 -18.555 1.00 1.66 H new ATOM 0 HH11 ARG A 47 -11.586 -3.371 -19.423 1.00 3.06 H new ATOM 0 HH12 ARG A 47 -12.253 -3.096 -21.036 1.00 3.06 H new ATOM 0 HH21 ARG A 47 -14.898 -5.392 -20.633 1.00 2.81 H new ATOM 0 HH22 ARG A 47 -14.119 -4.235 -21.718 1.00 2.81 H new ATOM 749 N LYS A 48 -9.431 -5.832 -14.968 1.00 0.69 N ATOM 750 CA LYS A 48 -8.110 -6.373 -15.277 1.00 0.62 C ATOM 751 C LYS A 48 -7.285 -6.586 -14.009 1.00 0.51 C ATOM 752 O LYS A 48 -7.592 -6.021 -12.963 1.00 0.48 O ATOM 753 CB LYS A 48 -7.365 -5.435 -16.232 1.00 0.67 C ATOM 754 CG LYS A 48 -7.508 -5.810 -17.698 1.00 0.84 C ATOM 755 CD LYS A 48 -8.946 -5.685 -18.174 1.00 1.04 C ATOM 756 CE LYS A 48 -9.099 -6.170 -19.606 1.00 1.00 C ATOM 757 NZ LYS A 48 -10.502 -6.050 -20.088 1.00 1.56 N ATOM 0 H LYS A 48 -9.544 -4.843 -15.192 1.00 0.69 H new ATOM 0 HA LYS A 48 -8.250 -7.341 -15.757 1.00 0.62 H new ATOM 0 HB2 LYS A 48 -7.733 -4.419 -16.089 1.00 0.67 H new ATOM 0 HB3 LYS A 48 -6.307 -5.430 -15.970 1.00 0.67 H new ATOM 0 HG2 LYS A 48 -6.868 -5.167 -18.302 1.00 0.84 H new ATOM 0 HG3 LYS A 48 -7.163 -6.833 -17.847 1.00 0.84 H new ATOM 0 HD2 LYS A 48 -9.599 -6.263 -17.520 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -9.265 -4.645 -18.104 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -8.442 -5.593 -20.256 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -8.780 -7.210 -19.673 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -10.584 -6.484 -21.030 1.00 1.56 H new ATOM 0 HZ2 LYS A 48 -11.139 -6.537 -19.426 1.00 1.56 H new ATOM 0 HZ3 LYS A 48 -10.764 -5.045 -20.146 1.00 1.56 H new ATOM 771 N PRO A 49 -6.233 -7.425 -14.085 1.00 0.49 N ATOM 772 CA PRO A 49 -5.355 -7.705 -12.940 1.00 0.44 C ATOM 773 C PRO A 49 -4.716 -6.433 -12.379 1.00 0.43 C ATOM 774 O PRO A 49 -5.392 -5.622 -11.745 1.00 0.63 O ATOM 775 CB PRO A 49 -4.298 -8.646 -13.528 1.00 0.52 C ATOM 776 CG PRO A 49 -4.974 -9.271 -14.691 1.00 0.59 C ATOM 777 CD PRO A 49 -5.827 -8.190 -15.278 1.00 0.58 C ATOM 0 HA PRO A 49 -5.895 -8.137 -12.097 1.00 0.44 H new ATOM 0 HB2 PRO A 49 -3.405 -8.101 -13.832 1.00 0.52 H new ATOM 0 HB3 PRO A 49 -3.983 -9.394 -12.801 1.00 0.52 H new ATOM 0 HG2 PRO A 49 -4.249 -9.638 -15.417 1.00 0.59 H new ATOM 0 HG3 PRO A 49 -5.577 -10.125 -14.383 1.00 0.59 H new ATOM 0 HD2 PRO A 49 -5.272 -7.574 -15.986 1.00 0.58 H new ATOM 0 HD3 PRO A 49 -6.686 -8.595 -15.813 1.00 0.58 H new ATOM 785 N LEU A 50 -3.416 -6.257 -12.607 1.00 0.51 N ATOM 786 CA LEU A 50 -2.720 -5.074 -12.127 1.00 0.55 C ATOM 787 C LEU A 50 -2.303 -4.207 -13.304 1.00 0.67 C ATOM 788 O LEU A 50 -1.261 -4.442 -13.915 1.00 1.57 O ATOM 789 CB LEU A 50 -1.460 -5.417 -11.315 1.00 0.64 C ATOM 790 CG LEU A 50 -1.561 -6.537 -10.275 1.00 0.45 C ATOM 791 CD1 LEU A 50 -1.958 -7.862 -10.907 1.00 0.69 C ATOM 792 CD2 LEU A 50 -0.224 -6.673 -9.570 1.00 0.81 C ATOM 0 H LEU A 50 -2.830 -6.917 -13.118 1.00 0.51 H new ATOM 0 HA LEU A 50 -3.416 -4.546 -11.475 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -0.671 -5.684 -12.018 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -1.136 -4.512 -10.801 1.00 0.64 H new ATOM 0 HG LEU A 50 -2.340 -6.276 -9.559 1.00 0.45 H new ATOM 0 HD11 LEU A 50 -2.018 -8.630 -10.135 1.00 0.69 H new ATOM 0 HD12 LEU A 50 -2.929 -7.758 -11.392 1.00 0.69 H new ATOM 0 HD13 LEU A 50 -1.212 -8.150 -11.648 1.00 0.69 H new ATOM 0 HD21 LEU A 50 -0.284 -7.468 -8.827 1.00 0.81 H new ATOM 0 HD22 LEU A 50 0.549 -6.916 -10.299 1.00 0.81 H new ATOM 0 HD23 LEU A 50 0.025 -5.733 -9.077 1.00 0.81 H new ATOM 804 N ASP A 51 -3.124 -3.222 -13.635 1.00 0.50 N ATOM 805 CA ASP A 51 -2.811 -2.318 -14.732 1.00 0.46 C ATOM 806 C ASP A 51 -1.819 -1.264 -14.255 1.00 0.42 C ATOM 807 O ASP A 51 -2.021 -0.076 -14.464 1.00 0.41 O ATOM 808 CB ASP A 51 -4.085 -1.649 -15.252 1.00 0.45 C ATOM 809 CG ASP A 51 -5.134 -2.659 -15.676 1.00 0.49 C ATOM 810 OD1 ASP A 51 -5.958 -3.052 -14.824 1.00 0.63 O ATOM 811 OD2 ASP A 51 -5.131 -3.054 -16.861 1.00 0.53 O ATOM 0 H ASP A 51 -4.007 -3.029 -13.163 1.00 0.50 H new ATOM 0 HA ASP A 51 -2.366 -2.888 -15.548 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -4.497 -1.005 -14.475 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -3.837 -1.009 -16.099 1.00 0.45 H new ATOM 816 N LEU A 52 -0.743 -1.723 -13.618 1.00 0.40 N ATOM 817 CA LEU A 52 0.284 -0.839 -13.074 1.00 0.37 C ATOM 818 C LEU A 52 0.954 0.011 -14.149 1.00 0.36 C ATOM 819 O LEU A 52 1.182 1.196 -13.937 1.00 0.43 O ATOM 820 CB LEU A 52 1.340 -1.664 -12.333 1.00 0.39 C ATOM 821 CG LEU A 52 2.466 -0.856 -11.689 1.00 0.45 C ATOM 822 CD1 LEU A 52 1.954 -0.090 -10.481 1.00 1.06 C ATOM 823 CD2 LEU A 52 3.616 -1.771 -11.300 1.00 1.29 C ATOM 0 H LEU A 52 -0.560 -2.715 -13.465 1.00 0.40 H new ATOM 0 HA LEU A 52 -0.211 -0.156 -12.384 1.00 0.37 H new ATOM 0 HB2 LEU A 52 0.843 -2.247 -11.557 1.00 0.39 H new ATOM 0 HB3 LEU A 52 1.779 -2.375 -13.033 1.00 0.39 H new ATOM 0 HG LEU A 52 2.833 -0.132 -12.417 1.00 0.45 H new ATOM 0 HD11 LEU A 52 2.771 0.478 -10.037 1.00 1.06 H new ATOM 0 HD12 LEU A 52 1.164 0.593 -10.792 1.00 1.06 H new ATOM 0 HD13 LEU A 52 1.559 -0.791 -9.746 1.00 1.06 H new ATOM 0 HD21 LEU A 52 4.411 -1.182 -10.843 1.00 1.29 H new ATOM 0 HD22 LEU A 52 3.262 -2.518 -10.589 1.00 1.29 H new ATOM 0 HD23 LEU A 52 4.000 -2.270 -12.189 1.00 1.29 H new ATOM 835 N TYR A 53 1.283 -0.584 -15.291 1.00 0.32 N ATOM 836 CA TYR A 53 1.936 0.164 -16.365 1.00 0.33 C ATOM 837 C TYR A 53 1.012 1.244 -16.920 1.00 0.32 C ATOM 838 O TYR A 53 1.427 2.391 -17.114 1.00 0.32 O ATOM 839 CB TYR A 53 2.378 -0.783 -17.485 1.00 0.38 C ATOM 840 CG TYR A 53 2.626 -0.097 -18.814 1.00 0.32 C ATOM 841 CD1 TYR A 53 3.574 0.912 -18.927 1.00 0.45 C ATOM 842 CD2 TYR A 53 1.913 -0.457 -19.951 1.00 0.32 C ATOM 843 CE1 TYR A 53 3.805 1.543 -20.134 1.00 0.51 C ATOM 844 CE2 TYR A 53 2.138 0.169 -21.163 1.00 0.36 C ATOM 845 CZ TYR A 53 3.080 1.154 -21.256 1.00 0.43 C ATOM 846 OH TYR A 53 3.310 1.795 -22.452 1.00 0.54 O ATOM 0 H TYR A 53 1.112 -1.568 -15.498 1.00 0.32 H new ATOM 0 HA TYR A 53 2.818 0.651 -15.949 1.00 0.33 H new ATOM 0 HB2 TYR A 53 3.290 -1.293 -17.176 1.00 0.38 H new ATOM 0 HB3 TYR A 53 1.615 -1.549 -17.621 1.00 0.38 H new ATOM 0 HD1 TYR A 53 4.140 1.208 -18.056 1.00 0.45 H new ATOM 0 HD2 TYR A 53 1.171 -1.239 -19.887 1.00 0.32 H new ATOM 0 HE1 TYR A 53 4.541 2.330 -20.206 1.00 0.51 H new ATOM 0 HE2 TYR A 53 1.570 -0.120 -22.035 1.00 0.36 H new ATOM 0 HH TYR A 53 2.730 1.414 -23.144 1.00 0.54 H new ATOM 856 N ARG A 54 -0.244 0.883 -17.157 1.00 0.33 N ATOM 857 CA ARG A 54 -1.217 1.833 -17.681 1.00 0.34 C ATOM 858 C ARG A 54 -1.568 2.846 -16.607 1.00 0.32 C ATOM 859 O ARG A 54 -1.768 4.020 -16.886 1.00 0.32 O ATOM 860 CB ARG A 54 -2.488 1.120 -18.150 1.00 0.38 C ATOM 861 CG ARG A 54 -2.292 -0.355 -18.441 1.00 0.40 C ATOM 862 CD ARG A 54 -3.539 -0.972 -19.052 1.00 0.45 C ATOM 863 NE ARG A 54 -3.970 -0.259 -20.251 1.00 0.98 N ATOM 864 CZ ARG A 54 -5.119 -0.492 -20.875 1.00 1.19 C ATOM 865 NH1 ARG A 54 -5.949 -1.423 -20.422 1.00 1.28 N ATOM 866 NH2 ARG A 54 -5.442 0.204 -21.957 1.00 1.85 N ATOM 0 H ARG A 54 -0.611 -0.055 -16.996 1.00 0.33 H new ATOM 0 HA ARG A 54 -0.773 2.340 -18.538 1.00 0.34 H new ATOM 0 HB2 ARG A 54 -3.258 1.231 -17.386 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -2.858 1.612 -19.050 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -1.450 -0.484 -19.121 1.00 0.40 H new ATOM 0 HG3 ARG A 54 -2.040 -0.879 -17.519 1.00 0.40 H new ATOM 0 HD2 ARG A 54 -3.343 -2.015 -19.301 1.00 0.45 H new ATOM 0 HD3 ARG A 54 -4.344 -0.966 -18.317 1.00 0.45 H new ATOM 0 HE ARG A 54 -3.353 0.459 -20.631 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -5.706 -1.963 -19.592 1.00 1.28 H new ATOM 0 HH12 ARG A 54 -6.830 -1.599 -20.904 1.00 1.28 H new ATOM 0 HH21 ARG A 54 -4.807 0.920 -22.311 1.00 1.85 H new ATOM 0 HH22 ARG A 54 -6.325 0.023 -22.435 1.00 1.85 H new ATOM 880 N LEU A 55 -1.631 2.364 -15.375 1.00 0.30 N ATOM 881 CA LEU A 55 -1.947 3.199 -14.227 1.00 0.28 C ATOM 882 C LEU A 55 -0.789 4.151 -13.945 1.00 0.26 C ATOM 883 O LEU A 55 -0.983 5.268 -13.469 1.00 0.25 O ATOM 884 CB LEU A 55 -2.245 2.318 -13.007 1.00 0.32 C ATOM 885 CG LEU A 55 -2.359 3.043 -11.665 1.00 0.31 C ATOM 886 CD1 LEU A 55 -3.307 4.231 -11.766 1.00 0.88 C ATOM 887 CD2 LEU A 55 -2.834 2.080 -10.589 1.00 0.79 C ATOM 0 H LEU A 55 -1.465 1.385 -15.144 1.00 0.30 H new ATOM 0 HA LEU A 55 -2.834 3.794 -14.443 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -3.178 1.784 -13.189 1.00 0.32 H new ATOM 0 HB3 LEU A 55 -1.459 1.567 -12.926 1.00 0.32 H new ATOM 0 HG LEU A 55 -1.372 3.419 -11.394 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -3.370 4.729 -10.799 1.00 0.88 H new ATOM 0 HD12 LEU A 55 -2.933 4.933 -12.512 1.00 0.88 H new ATOM 0 HD13 LEU A 55 -4.297 3.883 -12.060 1.00 0.88 H new ATOM 0 HD21 LEU A 55 -2.912 2.607 -9.638 1.00 0.79 H new ATOM 0 HD22 LEU A 55 -3.810 1.681 -10.863 1.00 0.79 H new ATOM 0 HD23 LEU A 55 -2.121 1.261 -10.493 1.00 0.79 H new ATOM 899 N TYR A 56 0.416 3.680 -14.235 1.00 0.30 N ATOM 900 CA TYR A 56 1.634 4.458 -14.037 1.00 0.30 C ATOM 901 C TYR A 56 1.686 5.611 -15.038 1.00 0.30 C ATOM 902 O TYR A 56 1.878 6.773 -14.661 1.00 0.29 O ATOM 903 CB TYR A 56 2.839 3.519 -14.191 1.00 0.35 C ATOM 904 CG TYR A 56 4.209 4.160 -14.119 1.00 0.36 C ATOM 905 CD1 TYR A 56 4.402 5.286 -13.327 1.00 0.95 C ATOM 906 CD2 TYR A 56 5.292 3.669 -14.836 1.00 0.68 C ATOM 907 CE1 TYR A 56 5.632 5.905 -13.249 1.00 1.03 C ATOM 908 CE2 TYR A 56 6.528 4.283 -14.761 1.00 0.85 C ATOM 909 CZ TYR A 56 6.754 5.269 -14.005 1.00 0.74 C ATOM 910 OH TYR A 56 7.920 6.014 -13.887 1.00 0.97 O ATOM 0 H TYR A 56 0.578 2.747 -14.615 1.00 0.30 H new ATOM 0 HA TYR A 56 1.652 4.895 -13.039 1.00 0.30 H new ATOM 0 HB2 TYR A 56 2.778 2.756 -13.415 1.00 0.35 H new ATOM 0 HB3 TYR A 56 2.752 3.007 -15.149 1.00 0.35 H new ATOM 0 HD1 TYR A 56 3.572 5.684 -12.762 1.00 0.95 H new ATOM 0 HD2 TYR A 56 5.167 2.796 -15.460 1.00 0.68 H new ATOM 0 HE1 TYR A 56 5.777 6.805 -12.670 1.00 1.03 H new ATOM 0 HE2 TYR A 56 7.333 3.904 -15.374 1.00 0.85 H new ATOM 0 HH TYR A 56 8.639 5.577 -14.389 1.00 0.97 H new ATOM 920 N VAL A 57 1.491 5.296 -16.314 1.00 0.33 N ATOM 921 CA VAL A 57 1.487 6.326 -17.343 1.00 0.35 C ATOM 922 C VAL A 57 0.259 7.204 -17.178 1.00 0.31 C ATOM 923 O VAL A 57 0.297 8.411 -17.430 1.00 0.32 O ATOM 924 CB VAL A 57 1.499 5.728 -18.760 1.00 0.40 C ATOM 925 CG1 VAL A 57 2.794 4.983 -19.007 1.00 0.44 C ATOM 926 CG2 VAL A 57 0.305 4.812 -18.970 1.00 0.38 C ATOM 0 H VAL A 57 1.336 4.348 -16.656 1.00 0.33 H new ATOM 0 HA VAL A 57 2.396 6.916 -17.222 1.00 0.35 H new ATOM 0 HB VAL A 57 1.428 6.545 -19.478 1.00 0.40 H new ATOM 0 HG11 VAL A 57 2.787 4.566 -20.014 1.00 0.44 H new ATOM 0 HG12 VAL A 57 3.634 5.670 -18.905 1.00 0.44 H new ATOM 0 HG13 VAL A 57 2.894 4.177 -18.281 1.00 0.44 H new ATOM 0 HG21 VAL A 57 0.335 4.401 -19.979 1.00 0.38 H new ATOM 0 HG22 VAL A 57 0.339 3.998 -18.246 1.00 0.38 H new ATOM 0 HG23 VAL A 57 -0.616 5.379 -18.836 1.00 0.38 H new ATOM 936 N SER A 58 -0.832 6.584 -16.735 1.00 0.29 N ATOM 937 CA SER A 58 -2.073 7.302 -16.525 1.00 0.27 C ATOM 938 C SER A 58 -1.924 8.292 -15.389 1.00 0.24 C ATOM 939 O SER A 58 -2.331 9.442 -15.516 1.00 0.25 O ATOM 940 CB SER A 58 -3.228 6.343 -16.230 1.00 0.27 C ATOM 941 OG SER A 58 -3.645 5.667 -17.405 1.00 1.13 O ATOM 0 H SER A 58 -0.876 5.589 -16.517 1.00 0.29 H new ATOM 0 HA SER A 58 -2.303 7.841 -17.444 1.00 0.27 H new ATOM 0 HB2 SER A 58 -2.918 5.616 -15.479 1.00 0.27 H new ATOM 0 HB3 SER A 58 -4.067 6.898 -15.809 1.00 0.27 H new ATOM 0 HG SER A 58 -3.292 4.753 -17.399 1.00 1.13 H new ATOM 947 N VAL A 59 -1.326 7.852 -14.282 1.00 0.24 N ATOM 948 CA VAL A 59 -1.140 8.736 -13.145 1.00 0.23 C ATOM 949 C VAL A 59 -0.173 9.851 -13.508 1.00 0.23 C ATOM 950 O VAL A 59 -0.290 10.974 -13.017 1.00 0.22 O ATOM 951 CB VAL A 59 -0.653 7.998 -11.884 1.00 0.25 C ATOM 952 CG1 VAL A 59 0.778 7.507 -12.043 1.00 0.27 C ATOM 953 CG2 VAL A 59 -0.787 8.910 -10.677 1.00 0.26 C ATOM 0 H VAL A 59 -0.970 6.905 -14.154 1.00 0.24 H new ATOM 0 HA VAL A 59 -2.117 9.156 -12.904 1.00 0.23 H new ATOM 0 HB VAL A 59 -1.277 7.117 -11.734 1.00 0.25 H new ATOM 0 HG11 VAL A 59 1.089 6.991 -11.135 1.00 0.27 H new ATOM 0 HG12 VAL A 59 0.835 6.821 -12.888 1.00 0.27 H new ATOM 0 HG13 VAL A 59 1.437 8.357 -12.221 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -0.442 8.387 -9.785 1.00 0.26 H new ATOM 0 HG22 VAL A 59 -0.184 9.805 -10.829 1.00 0.26 H new ATOM 0 HG23 VAL A 59 -1.832 9.194 -10.550 1.00 0.26 H new ATOM 963 N LYS A 60 0.798 9.532 -14.361 1.00 0.26 N ATOM 964 CA LYS A 60 1.745 10.535 -14.824 1.00 0.27 C ATOM 965 C LYS A 60 0.983 11.655 -15.523 1.00 0.26 C ATOM 966 O LYS A 60 1.137 12.833 -15.195 1.00 0.26 O ATOM 967 CB LYS A 60 2.750 9.910 -15.789 1.00 0.31 C ATOM 968 CG LYS A 60 4.022 9.420 -15.123 1.00 0.99 C ATOM 969 CD LYS A 60 4.903 8.687 -16.116 1.00 0.98 C ATOM 970 CE LYS A 60 6.283 8.410 -15.548 1.00 1.26 C ATOM 971 NZ LYS A 60 7.079 9.659 -15.387 1.00 1.78 N ATOM 0 H LYS A 60 0.946 8.597 -14.740 1.00 0.26 H new ATOM 0 HA LYS A 60 2.290 10.937 -13.970 1.00 0.27 H new ATOM 0 HB2 LYS A 60 2.275 9.073 -16.301 1.00 0.31 H new ATOM 0 HB3 LYS A 60 3.011 10.644 -16.552 1.00 0.31 H new ATOM 0 HG2 LYS A 60 4.566 10.266 -14.702 1.00 0.99 H new ATOM 0 HG3 LYS A 60 3.772 8.758 -14.294 1.00 0.99 H new ATOM 0 HD2 LYS A 60 4.430 7.746 -16.396 1.00 0.98 H new ATOM 0 HD3 LYS A 60 4.997 9.280 -17.026 1.00 0.98 H new ATOM 0 HE2 LYS A 60 6.185 7.915 -14.582 1.00 1.26 H new ATOM 0 HE3 LYS A 60 6.815 7.723 -16.206 1.00 1.26 H new ATOM 0 HZ1 LYS A 60 8.080 9.417 -15.244 1.00 1.78 H new ATOM 0 HZ2 LYS A 60 6.983 10.244 -16.241 1.00 1.78 H new ATOM 0 HZ3 LYS A 60 6.730 10.189 -14.563 1.00 1.78 H new ATOM 985 N GLU A 61 0.156 11.267 -16.495 1.00 0.26 N ATOM 986 CA GLU A 61 -0.662 12.218 -17.243 1.00 0.26 C ATOM 987 C GLU A 61 -1.721 12.839 -16.335 1.00 0.24 C ATOM 988 O GLU A 61 -2.130 13.984 -16.525 1.00 0.24 O ATOM 989 CB GLU A 61 -1.337 11.520 -18.426 1.00 0.27 C ATOM 990 CG GLU A 61 -0.358 10.890 -19.404 1.00 1.22 C ATOM 991 CD GLU A 61 -1.054 10.142 -20.523 1.00 1.54 C ATOM 992 OE1 GLU A 61 -1.339 8.939 -20.346 1.00 1.88 O ATOM 993 OE2 GLU A 61 -1.317 10.759 -21.576 1.00 1.78 O ATOM 0 H GLU A 61 0.036 10.296 -16.782 1.00 0.26 H new ATOM 0 HA GLU A 61 -0.013 13.009 -17.620 1.00 0.26 H new ATOM 0 HB2 GLU A 61 -2.006 10.747 -18.047 1.00 0.27 H new ATOM 0 HB3 GLU A 61 -1.955 12.243 -18.959 1.00 0.27 H new ATOM 0 HG2 GLU A 61 0.275 11.668 -19.831 1.00 1.22 H new ATOM 0 HG3 GLU A 61 0.297 10.205 -18.866 1.00 1.22 H new ATOM 1000 N ILE A 62 -2.155 12.059 -15.347 1.00 0.24 N ATOM 1001 CA ILE A 62 -3.167 12.491 -14.388 1.00 0.23 C ATOM 1002 C ILE A 62 -2.810 13.842 -13.775 1.00 0.25 C ATOM 1003 O ILE A 62 -3.673 14.699 -13.585 1.00 0.27 O ATOM 1004 CB ILE A 62 -3.316 11.445 -13.263 1.00 0.26 C ATOM 1005 CG1 ILE A 62 -4.384 10.409 -13.648 1.00 0.29 C ATOM 1006 CG2 ILE A 62 -3.630 12.118 -11.930 1.00 0.25 C ATOM 1007 CD1 ILE A 62 -4.986 9.675 -12.471 1.00 0.33 C ATOM 0 H ILE A 62 -1.815 11.110 -15.190 1.00 0.24 H new ATOM 0 HA ILE A 62 -4.110 12.591 -14.926 1.00 0.23 H new ATOM 0 HB ILE A 62 -2.368 10.921 -13.138 1.00 0.26 H new ATOM 0 HG12 ILE A 62 -5.181 10.912 -14.195 1.00 0.29 H new ATOM 0 HG13 ILE A 62 -3.940 9.681 -14.328 1.00 0.29 H new ATOM 0 HG21 ILE A 62 -3.730 11.359 -11.154 1.00 0.25 H new ATOM 0 HG22 ILE A 62 -2.822 12.801 -11.668 1.00 0.25 H new ATOM 0 HG23 ILE A 62 -4.563 12.676 -12.015 1.00 0.25 H new ATOM 0 HD11 ILE A 62 -5.730 8.963 -12.828 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -4.201 9.142 -11.935 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -5.461 10.391 -11.800 1.00 0.33 H new ATOM 1019 N GLY A 63 -1.531 14.022 -13.470 1.00 0.30 N ATOM 1020 CA GLY A 63 -1.077 15.258 -12.866 1.00 0.37 C ATOM 1021 C GLY A 63 -0.010 15.016 -11.821 1.00 0.46 C ATOM 1022 O GLY A 63 0.858 15.858 -11.593 1.00 0.74 O ATOM 0 H GLY A 63 -0.798 13.331 -13.631 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -0.684 15.918 -13.640 1.00 0.37 H new ATOM 0 HA3 GLY A 63 -1.923 15.771 -12.409 1.00 0.37 H new ATOM 1026 N GLY A 64 -0.087 13.854 -11.187 1.00 0.29 N ATOM 1027 CA GLY A 64 0.864 13.491 -10.157 1.00 0.35 C ATOM 1028 C GLY A 64 0.176 12.806 -8.993 1.00 0.38 C ATOM 1029 O GLY A 64 -1.046 12.720 -8.968 1.00 0.50 O ATOM 0 H GLY A 64 -0.801 13.149 -11.371 1.00 0.29 H new ATOM 0 HA2 GLY A 64 1.622 12.829 -10.575 1.00 0.35 H new ATOM 0 HA3 GLY A 64 1.380 14.384 -9.804 1.00 0.35 H new ATOM 1033 N LEU A 65 0.955 12.351 -8.017 1.00 0.32 N ATOM 1034 CA LEU A 65 0.409 11.643 -6.860 1.00 0.35 C ATOM 1035 C LEU A 65 -0.616 12.473 -6.084 1.00 0.32 C ATOM 1036 O LEU A 65 -1.666 11.959 -5.698 1.00 0.35 O ATOM 1037 CB LEU A 65 1.536 11.201 -5.936 1.00 0.43 C ATOM 1038 CG LEU A 65 2.168 12.297 -5.100 1.00 0.94 C ATOM 1039 CD1 LEU A 65 2.806 11.683 -3.877 1.00 1.62 C ATOM 1040 CD2 LEU A 65 3.189 13.077 -5.915 1.00 0.86 C ATOM 0 H LEU A 65 1.969 12.459 -8.003 1.00 0.32 H new ATOM 0 HA LEU A 65 -0.118 10.769 -7.243 1.00 0.35 H new ATOM 0 HB2 LEU A 65 1.151 10.433 -5.265 1.00 0.43 H new ATOM 0 HB3 LEU A 65 2.315 10.735 -6.540 1.00 0.43 H new ATOM 0 HG LEU A 65 1.397 13.000 -4.784 1.00 0.94 H new ATOM 0 HD11 LEU A 65 3.262 12.467 -3.272 1.00 1.62 H new ATOM 0 HD12 LEU A 65 2.046 11.168 -3.290 1.00 1.62 H new ATOM 0 HD13 LEU A 65 3.571 10.971 -4.185 1.00 1.62 H new ATOM 0 HD21 LEU A 65 3.629 13.858 -5.295 1.00 0.86 H new ATOM 0 HD22 LEU A 65 3.972 12.402 -6.259 1.00 0.86 H new ATOM 0 HD23 LEU A 65 2.698 13.531 -6.776 1.00 0.86 H new ATOM 1052 N THR A 66 -0.319 13.748 -5.854 1.00 0.35 N ATOM 1053 CA THR A 66 -1.231 14.614 -5.109 1.00 0.36 C ATOM 1054 C THR A 66 -2.540 14.829 -5.856 1.00 0.30 C ATOM 1055 O THR A 66 -3.597 14.975 -5.241 1.00 0.28 O ATOM 1056 CB THR A 66 -0.601 15.984 -4.808 1.00 0.47 C ATOM 1057 OG1 THR A 66 0.486 16.238 -5.708 1.00 0.76 O ATOM 1058 CG2 THR A 66 -0.109 16.045 -3.371 1.00 0.65 C ATOM 0 H THR A 66 0.538 14.203 -6.169 1.00 0.35 H new ATOM 0 HA THR A 66 -1.434 14.100 -4.169 1.00 0.36 H new ATOM 0 HB THR A 66 -1.365 16.749 -4.947 1.00 0.47 H new ATOM 0 HG1 THR A 66 0.878 17.114 -5.508 1.00 0.76 H new ATOM 0 HG21 THR A 66 0.333 17.023 -3.179 1.00 0.65 H new ATOM 0 HG22 THR A 66 -0.947 15.886 -2.692 1.00 0.65 H new ATOM 0 HG23 THR A 66 0.640 15.270 -3.210 1.00 0.65 H new ATOM 1066 N GLN A 67 -2.467 14.848 -7.179 1.00 0.30 N ATOM 1067 CA GLN A 67 -3.652 15.053 -8.003 1.00 0.29 C ATOM 1068 C GLN A 67 -4.596 13.865 -7.888 1.00 0.23 C ATOM 1069 O GLN A 67 -5.809 14.027 -7.837 1.00 0.28 O ATOM 1070 CB GLN A 67 -3.245 15.295 -9.460 1.00 0.35 C ATOM 1071 CG GLN A 67 -1.963 16.090 -9.582 1.00 0.93 C ATOM 1072 CD GLN A 67 -2.044 17.442 -8.899 1.00 1.08 C ATOM 1073 OE1 GLN A 67 -3.116 18.038 -8.801 1.00 1.29 O ATOM 1074 NE2 GLN A 67 -0.904 17.934 -8.427 1.00 1.77 N ATOM 0 H GLN A 67 -1.602 14.724 -7.705 1.00 0.30 H new ATOM 0 HA GLN A 67 -4.182 15.936 -7.644 1.00 0.29 H new ATOM 0 HB2 GLN A 67 -3.123 14.336 -9.963 1.00 0.35 H new ATOM 0 HB3 GLN A 67 -4.047 15.825 -9.974 1.00 0.35 H new ATOM 0 HG2 GLN A 67 -1.143 15.517 -9.149 1.00 0.93 H new ATOM 0 HG3 GLN A 67 -1.729 16.234 -10.637 1.00 0.93 H new ATOM 0 HE21 GLN A 67 -0.038 17.405 -8.531 1.00 1.77 H new ATOM 0 HE22 GLN A 67 -0.894 18.841 -7.961 1.00 1.77 H new ATOM 1083 N VAL A 68 -4.032 12.669 -7.828 1.00 0.22 N ATOM 1084 CA VAL A 68 -4.836 11.461 -7.704 1.00 0.26 C ATOM 1085 C VAL A 68 -5.508 11.407 -6.338 1.00 0.28 C ATOM 1086 O VAL A 68 -6.599 10.857 -6.183 1.00 0.39 O ATOM 1087 CB VAL A 68 -3.984 10.194 -7.876 1.00 0.37 C ATOM 1088 CG1 VAL A 68 -4.750 9.140 -8.656 1.00 0.69 C ATOM 1089 CG2 VAL A 68 -2.673 10.511 -8.561 1.00 0.52 C ATOM 0 H VAL A 68 -3.025 12.508 -7.863 1.00 0.22 H new ATOM 0 HA VAL A 68 -5.587 11.496 -8.493 1.00 0.26 H new ATOM 0 HB VAL A 68 -3.761 9.799 -6.885 1.00 0.37 H new ATOM 0 HG11 VAL A 68 -4.132 8.250 -8.768 1.00 0.69 H new ATOM 0 HG12 VAL A 68 -5.663 8.882 -8.119 1.00 0.69 H new ATOM 0 HG13 VAL A 68 -5.006 9.531 -9.641 1.00 0.69 H new ATOM 0 HG21 VAL A 68 -2.089 9.597 -8.670 1.00 0.52 H new ATOM 0 HG22 VAL A 68 -2.870 10.936 -9.545 1.00 0.52 H new ATOM 0 HG23 VAL A 68 -2.114 11.229 -7.962 1.00 0.52 H new ATOM 1099 N ASN A 69 -4.838 11.990 -5.356 1.00 0.24 N ATOM 1100 CA ASN A 69 -5.315 12.002 -3.980 1.00 0.29 C ATOM 1101 C ASN A 69 -6.521 12.918 -3.740 1.00 0.31 C ATOM 1102 O ASN A 69 -7.284 12.681 -2.802 1.00 0.40 O ATOM 1103 CB ASN A 69 -4.176 12.406 -3.042 1.00 0.30 C ATOM 1104 CG ASN A 69 -4.572 12.317 -1.580 1.00 0.43 C ATOM 1105 OD1 ASN A 69 -5.404 11.493 -1.199 1.00 1.20 O ATOM 1106 ND2 ASN A 69 -3.974 13.166 -0.752 1.00 1.17 N ATOM 0 H ASN A 69 -3.947 12.469 -5.490 1.00 0.24 H new ATOM 0 HA ASN A 69 -5.655 10.987 -3.772 1.00 0.29 H new ATOM 0 HB2 ASN A 69 -3.315 11.762 -3.222 1.00 0.30 H new ATOM 0 HB3 ASN A 69 -3.865 13.426 -3.270 1.00 0.30 H new ATOM 0 HD21 ASN A 69 -4.198 13.152 0.243 1.00 1.17 H new ATOM 0 HD22 ASN A 69 -3.290 13.832 -1.111 1.00 1.17 H new ATOM 1113 N LYS A 70 -6.714 13.963 -4.554 1.00 0.28 N ATOM 1114 CA LYS A 70 -7.830 14.881 -4.296 1.00 0.38 C ATOM 1115 C LYS A 70 -8.487 15.465 -5.555 1.00 0.33 C ATOM 1116 O LYS A 70 -9.312 16.372 -5.448 1.00 0.36 O ATOM 1117 CB LYS A 70 -7.329 16.027 -3.413 1.00 0.47 C ATOM 1118 CG LYS A 70 -6.420 17.004 -4.139 1.00 0.46 C ATOM 1119 CD LYS A 70 -5.829 18.022 -3.182 1.00 0.74 C ATOM 1120 CE LYS A 70 -4.515 18.575 -3.704 1.00 1.09 C ATOM 1121 NZ LYS A 70 -4.695 19.344 -4.967 1.00 1.81 N ATOM 0 H LYS A 70 -6.138 14.189 -5.365 1.00 0.28 H new ATOM 0 HA LYS A 70 -8.603 14.291 -3.805 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -8.187 16.569 -3.015 1.00 0.47 H new ATOM 0 HB3 LYS A 70 -6.793 15.610 -2.561 1.00 0.47 H new ATOM 0 HG2 LYS A 70 -5.617 16.458 -4.634 1.00 0.46 H new ATOM 0 HG3 LYS A 70 -6.983 17.518 -4.918 1.00 0.46 H new ATOM 0 HD2 LYS A 70 -6.536 18.838 -3.034 1.00 0.74 H new ATOM 0 HD3 LYS A 70 -5.669 17.559 -2.208 1.00 0.74 H new ATOM 0 HE2 LYS A 70 -4.067 19.220 -2.948 1.00 1.09 H new ATOM 0 HE3 LYS A 70 -3.819 17.754 -3.876 1.00 1.09 H new ATOM 0 HZ1 LYS A 70 -3.776 19.718 -5.280 1.00 1.81 H new ATOM 0 HZ2 LYS A 70 -5.083 18.719 -5.702 1.00 1.81 H new ATOM 0 HZ3 LYS A 70 -5.352 20.133 -4.802 1.00 1.81 H new ATOM 1135 N ASN A 71 -8.145 14.963 -6.735 1.00 0.28 N ATOM 1136 CA ASN A 71 -8.734 15.490 -7.970 1.00 0.27 C ATOM 1137 C ASN A 71 -9.841 14.582 -8.513 1.00 0.28 C ATOM 1138 O ASN A 71 -10.210 14.686 -9.683 1.00 0.29 O ATOM 1139 CB ASN A 71 -7.657 15.691 -9.039 1.00 0.24 C ATOM 1140 CG ASN A 71 -8.038 16.740 -10.067 1.00 0.99 C ATOM 1141 OD1 ASN A 71 -9.218 16.962 -10.341 1.00 1.94 O ATOM 1142 ND2 ASN A 71 -7.036 17.392 -10.644 1.00 1.26 N ATOM 0 H ASN A 71 -7.475 14.205 -6.868 1.00 0.28 H new ATOM 0 HA ASN A 71 -9.182 16.452 -7.723 1.00 0.27 H new ATOM 0 HB2 ASN A 71 -6.724 15.983 -8.558 1.00 0.24 H new ATOM 0 HB3 ASN A 71 -7.472 14.743 -9.545 1.00 0.24 H new ATOM 0 HD21 ASN A 71 -7.230 18.108 -11.344 1.00 1.26 H new ATOM 0 HD22 ASN A 71 -6.073 17.177 -10.387 1.00 1.26 H new ATOM 1149 N LYS A 72 -10.370 13.692 -7.670 1.00 0.30 N ATOM 1150 CA LYS A 72 -11.420 12.765 -8.104 1.00 0.33 C ATOM 1151 C LYS A 72 -10.881 11.868 -9.194 1.00 0.30 C ATOM 1152 O LYS A 72 -11.636 11.256 -9.949 1.00 0.33 O ATOM 1153 CB LYS A 72 -12.654 13.523 -8.600 1.00 0.40 C ATOM 1154 CG LYS A 72 -13.274 14.433 -7.552 1.00 0.85 C ATOM 1155 CD LYS A 72 -14.532 15.108 -8.075 1.00 0.88 C ATOM 1156 CE LYS A 72 -15.162 16.002 -7.024 1.00 1.61 C ATOM 1157 NZ LYS A 72 -16.498 16.505 -7.448 1.00 2.04 N ATOM 0 H LYS A 72 -10.093 13.593 -6.693 1.00 0.30 H new ATOM 0 HA LYS A 72 -11.723 12.158 -7.251 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.378 14.120 -9.469 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.402 12.803 -8.932 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -13.515 13.853 -6.661 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -12.550 15.191 -7.253 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -14.289 15.699 -8.958 1.00 0.88 H new ATOM 0 HD3 LYS A 72 -15.250 14.350 -8.387 1.00 0.88 H new ATOM 0 HE2 LYS A 72 -15.263 15.449 -6.090 1.00 1.61 H new ATOM 0 HE3 LYS A 72 -14.503 16.847 -6.824 1.00 1.61 H new ATOM 0 HZ1 LYS A 72 -16.893 17.112 -6.702 1.00 2.04 H new ATOM 0 HZ2 LYS A 72 -16.400 17.055 -8.325 1.00 2.04 H new ATOM 0 HZ3 LYS A 72 -17.135 15.700 -7.614 1.00 2.04 H new ATOM 1171 N LYS A 73 -9.560 11.797 -9.261 1.00 0.25 N ATOM 1172 CA LYS A 73 -8.899 10.965 -10.239 1.00 0.24 C ATOM 1173 C LYS A 73 -9.365 9.534 -10.120 1.00 0.23 C ATOM 1174 O LYS A 73 -9.585 8.869 -11.117 1.00 0.25 O ATOM 1175 CB LYS A 73 -7.400 10.981 -10.039 1.00 0.31 C ATOM 1176 CG LYS A 73 -6.710 12.213 -10.581 1.00 0.35 C ATOM 1177 CD LYS A 73 -7.360 12.762 -11.845 1.00 0.36 C ATOM 1178 CE LYS A 73 -7.467 11.741 -12.968 1.00 0.79 C ATOM 1179 NZ LYS A 73 -8.160 12.299 -14.161 1.00 0.77 N ATOM 0 H LYS A 73 -8.929 12.309 -8.645 1.00 0.25 H new ATOM 0 HA LYS A 73 -9.148 11.365 -11.222 1.00 0.24 H new ATOM 0 HB2 LYS A 73 -7.187 10.900 -8.973 1.00 0.31 H new ATOM 0 HB3 LYS A 73 -6.972 10.100 -10.518 1.00 0.31 H new ATOM 0 HG2 LYS A 73 -6.711 12.988 -9.815 1.00 0.35 H new ATOM 0 HG3 LYS A 73 -5.668 11.974 -10.791 1.00 0.35 H new ATOM 0 HD2 LYS A 73 -8.358 13.127 -11.601 1.00 0.36 H new ATOM 0 HD3 LYS A 73 -6.784 13.618 -12.197 1.00 0.36 H new ATOM 0 HE2 LYS A 73 -6.469 11.407 -13.251 1.00 0.79 H new ATOM 0 HE3 LYS A 73 -8.007 10.864 -12.611 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 -8.558 11.522 -14.727 1.00 0.77 H new ATOM 0 HZ2 LYS A 73 -8.927 12.931 -13.853 1.00 0.77 H new ATOM 0 HZ3 LYS A 73 -7.481 12.835 -14.738 1.00 0.77 H new ATOM 1193 N TRP A 74 -9.489 9.061 -8.880 1.00 0.22 N ATOM 1194 CA TRP A 74 -9.901 7.687 -8.627 1.00 0.24 C ATOM 1195 C TRP A 74 -10.999 7.252 -9.576 1.00 0.23 C ATOM 1196 O TRP A 74 -10.945 6.155 -10.134 1.00 0.22 O ATOM 1197 CB TRP A 74 -10.358 7.496 -7.178 1.00 0.26 C ATOM 1198 CG TRP A 74 -11.089 8.672 -6.605 1.00 0.43 C ATOM 1199 CD1 TRP A 74 -12.355 9.083 -6.909 1.00 1.46 C ATOM 1200 CD2 TRP A 74 -10.600 9.583 -5.616 1.00 0.82 C ATOM 1201 NE1 TRP A 74 -12.681 10.195 -6.172 1.00 1.40 N ATOM 1202 CE2 TRP A 74 -11.619 10.522 -5.370 1.00 0.70 C ATOM 1203 CE3 TRP A 74 -9.397 9.696 -4.914 1.00 2.03 C ATOM 1204 CZ2 TRP A 74 -11.472 11.558 -4.453 1.00 1.11 C ATOM 1205 CZ3 TRP A 74 -9.252 10.725 -4.003 1.00 2.68 C ATOM 1206 CH2 TRP A 74 -10.284 11.644 -3.779 1.00 2.12 C ATOM 0 H TRP A 74 -9.310 9.610 -8.039 1.00 0.22 H new ATOM 0 HA TRP A 74 -9.027 7.059 -8.800 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -11.004 6.620 -7.125 1.00 0.26 H new ATOM 0 HB3 TRP A 74 -9.486 7.287 -6.558 1.00 0.26 H new ATOM 0 HD1 TRP A 74 -13.006 8.603 -7.625 1.00 1.46 H new ATOM 0 HE1 TRP A 74 -13.569 10.696 -6.215 1.00 1.40 H new ATOM 0 HE3 TRP A 74 -8.595 8.992 -5.080 1.00 2.03 H new ATOM 0 HZ2 TRP A 74 -12.267 12.269 -4.279 1.00 1.11 H new ATOM 0 HZ3 TRP A 74 -8.327 10.822 -3.454 1.00 2.68 H new ATOM 0 HH2 TRP A 74 -10.140 12.437 -3.060 1.00 2.12 H new ATOM 1217 N ARG A 75 -11.994 8.107 -9.770 1.00 0.25 N ATOM 1218 CA ARG A 75 -13.082 7.768 -10.674 1.00 0.26 C ATOM 1219 C ARG A 75 -12.582 7.763 -12.113 1.00 0.23 C ATOM 1220 O ARG A 75 -13.022 6.959 -12.937 1.00 0.23 O ATOM 1221 CB ARG A 75 -14.250 8.741 -10.511 1.00 0.30 C ATOM 1222 CG ARG A 75 -15.492 8.327 -11.279 1.00 0.43 C ATOM 1223 CD ARG A 75 -16.759 8.735 -10.547 1.00 0.48 C ATOM 1224 NE ARG A 75 -16.834 10.180 -10.347 1.00 1.25 N ATOM 1225 CZ ARG A 75 -17.854 10.792 -9.752 1.00 1.68 C ATOM 1226 NH1 ARG A 75 -18.878 10.086 -9.290 1.00 1.51 N ATOM 1227 NH2 ARG A 75 -17.849 12.110 -9.616 1.00 2.57 N ATOM 0 H ARG A 75 -12.070 9.021 -9.324 1.00 0.25 H new ATOM 0 HA ARG A 75 -13.442 6.770 -10.424 1.00 0.26 H new ATOM 0 HB2 ARG A 75 -14.498 8.826 -9.453 1.00 0.30 H new ATOM 0 HB3 ARG A 75 -13.938 9.730 -10.845 1.00 0.30 H new ATOM 0 HG2 ARG A 75 -15.479 8.784 -12.269 1.00 0.43 H new ATOM 0 HG3 ARG A 75 -15.487 7.247 -11.426 1.00 0.43 H new ATOM 0 HD2 ARG A 75 -17.628 8.402 -11.114 1.00 0.48 H new ATOM 0 HD3 ARG A 75 -16.797 8.233 -9.580 1.00 0.48 H new ATOM 0 HE ARG A 75 -16.060 10.753 -10.683 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -18.884 9.071 -9.391 1.00 1.51 H new ATOM 0 HH12 ARG A 75 -19.659 10.558 -8.834 1.00 1.51 H new ATOM 0 HH21 ARG A 75 -17.063 12.656 -9.968 1.00 2.57 H new ATOM 0 HH22 ARG A 75 -18.632 12.579 -9.160 1.00 2.57 H new ATOM 1241 N GLU A 76 -11.644 8.657 -12.401 1.00 0.23 N ATOM 1242 CA GLU A 76 -11.069 8.761 -13.733 1.00 0.22 C ATOM 1243 C GLU A 76 -10.198 7.549 -14.062 1.00 0.20 C ATOM 1244 O GLU A 76 -10.334 6.979 -15.138 1.00 0.20 O ATOM 1245 CB GLU A 76 -10.255 10.049 -13.864 1.00 0.25 C ATOM 1246 CG GLU A 76 -11.030 11.294 -13.468 1.00 1.27 C ATOM 1247 CD GLU A 76 -12.190 11.580 -14.403 1.00 1.67 C ATOM 1248 OE1 GLU A 76 -13.287 11.029 -14.174 1.00 2.05 O ATOM 1249 OE2 GLU A 76 -12.000 12.356 -15.363 1.00 2.09 O ATOM 0 H GLU A 76 -11.265 9.322 -11.726 1.00 0.23 H new ATOM 0 HA GLU A 76 -11.891 8.787 -14.448 1.00 0.22 H new ATOM 0 HB2 GLU A 76 -9.363 9.972 -13.242 1.00 0.25 H new ATOM 0 HB3 GLU A 76 -9.916 10.153 -14.895 1.00 0.25 H new ATOM 0 HG2 GLU A 76 -11.407 11.175 -12.452 1.00 1.27 H new ATOM 0 HG3 GLU A 76 -10.355 12.150 -13.459 1.00 1.27 H new ATOM 1256 N LEU A 77 -9.304 7.147 -13.146 1.00 0.19 N ATOM 1257 CA LEU A 77 -8.452 5.988 -13.402 1.00 0.19 C ATOM 1258 C LEU A 77 -9.284 4.719 -13.393 1.00 0.19 C ATOM 1259 O LEU A 77 -8.981 3.765 -14.108 1.00 0.22 O ATOM 1260 CB LEU A 77 -7.290 5.877 -12.403 1.00 0.20 C ATOM 1261 CG LEU A 77 -7.624 6.155 -10.937 1.00 0.18 C ATOM 1262 CD1 LEU A 77 -7.051 5.073 -10.037 1.00 0.21 C ATOM 1263 CD2 LEU A 77 -7.071 7.500 -10.517 1.00 0.24 C ATOM 0 H LEU A 77 -9.157 7.598 -12.243 1.00 0.19 H new ATOM 0 HA LEU A 77 -8.007 6.125 -14.388 1.00 0.19 H new ATOM 0 HB2 LEU A 77 -6.874 4.872 -12.474 1.00 0.20 H new ATOM 0 HB3 LEU A 77 -6.507 6.569 -12.712 1.00 0.20 H new ATOM 0 HG LEU A 77 -8.709 6.161 -10.836 1.00 0.18 H new ATOM 0 HD11 LEU A 77 -7.302 5.293 -8.999 1.00 0.21 H new ATOM 0 HD12 LEU A 77 -7.472 4.107 -10.316 1.00 0.21 H new ATOM 0 HD13 LEU A 77 -5.967 5.042 -10.150 1.00 0.21 H new ATOM 0 HD21 LEU A 77 -7.317 7.684 -9.471 1.00 0.24 H new ATOM 0 HD22 LEU A 77 -5.988 7.503 -10.641 1.00 0.24 H new ATOM 0 HD23 LEU A 77 -7.509 8.283 -11.136 1.00 0.24 H new ATOM 1275 N ALA A 78 -10.337 4.707 -12.578 1.00 0.20 N ATOM 1276 CA ALA A 78 -11.219 3.556 -12.523 1.00 0.21 C ATOM 1277 C ALA A 78 -11.893 3.386 -13.876 1.00 0.21 C ATOM 1278 O ALA A 78 -12.004 2.278 -14.401 1.00 0.23 O ATOM 1279 CB ALA A 78 -12.252 3.729 -11.418 1.00 0.24 C ATOM 0 H ALA A 78 -10.594 5.474 -11.956 1.00 0.20 H new ATOM 0 HA ALA A 78 -10.640 2.661 -12.296 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -12.905 2.857 -11.391 1.00 0.24 H new ATOM 0 HB2 ALA A 78 -11.745 3.833 -10.459 1.00 0.24 H new ATOM 0 HB3 ALA A 78 -12.847 4.622 -11.612 1.00 0.24 H new ATOM 1285 N THR A 79 -12.328 4.509 -14.436 1.00 0.21 N ATOM 1286 CA THR A 79 -12.971 4.524 -15.741 1.00 0.23 C ATOM 1287 C THR A 79 -11.943 4.292 -16.854 1.00 0.24 C ATOM 1288 O THR A 79 -12.226 3.627 -17.852 1.00 0.28 O ATOM 1289 CB THR A 79 -13.671 5.877 -15.990 1.00 0.25 C ATOM 1290 OG1 THR A 79 -14.620 6.140 -14.951 1.00 0.25 O ATOM 1291 CG2 THR A 79 -14.374 5.890 -17.342 1.00 0.30 C ATOM 0 H THR A 79 -12.245 5.428 -14.001 1.00 0.21 H new ATOM 0 HA THR A 79 -13.710 3.723 -15.752 1.00 0.23 H new ATOM 0 HB THR A 79 -12.908 6.655 -15.990 1.00 0.25 H new ATOM 0 HG1 THR A 79 -14.161 6.539 -14.182 1.00 0.25 H new ATOM 0 HG21 THR A 79 -14.858 6.855 -17.491 1.00 0.30 H new ATOM 0 HG22 THR A 79 -13.643 5.725 -18.134 1.00 0.30 H new ATOM 0 HG23 THR A 79 -15.124 5.099 -17.370 1.00 0.30 H new ATOM 1299 N ASN A 80 -10.745 4.851 -16.663 1.00 0.22 N ATOM 1300 CA ASN A 80 -9.659 4.742 -17.640 1.00 0.25 C ATOM 1301 C ASN A 80 -9.248 3.292 -17.857 1.00 0.29 C ATOM 1302 O ASN A 80 -9.032 2.861 -18.989 1.00 0.37 O ATOM 1303 CB ASN A 80 -8.449 5.562 -17.177 1.00 0.25 C ATOM 1304 CG ASN A 80 -8.682 7.056 -17.296 1.00 0.98 C ATOM 1305 OD1 ASN A 80 -9.430 7.511 -18.160 1.00 1.68 O ATOM 1306 ND2 ASN A 80 -8.041 7.828 -16.426 1.00 1.75 N ATOM 0 H ASN A 80 -10.502 5.389 -15.831 1.00 0.22 H new ATOM 0 HA ASN A 80 -10.024 5.136 -18.589 1.00 0.25 H new ATOM 0 HB2 ASN A 80 -8.221 5.314 -16.140 1.00 0.25 H new ATOM 0 HB3 ASN A 80 -7.577 5.285 -17.770 1.00 0.25 H new ATOM 0 HD21 ASN A 80 -8.160 8.841 -16.458 1.00 1.75 H new ATOM 0 HD22 ASN A 80 -7.430 7.408 -15.725 1.00 1.75 H new ATOM 1313 N LEU A 81 -9.144 2.548 -16.767 1.00 0.36 N ATOM 1314 CA LEU A 81 -8.756 1.147 -16.833 1.00 0.40 C ATOM 1315 C LEU A 81 -9.982 0.257 -17.000 1.00 0.42 C ATOM 1316 O LEU A 81 -9.887 -0.968 -16.932 1.00 0.45 O ATOM 1317 CB LEU A 81 -7.983 0.767 -15.571 1.00 0.41 C ATOM 1318 CG LEU A 81 -6.780 1.661 -15.266 1.00 0.44 C ATOM 1319 CD1 LEU A 81 -6.217 1.332 -13.897 1.00 0.43 C ATOM 1320 CD2 LEU A 81 -5.711 1.504 -16.338 1.00 0.50 C ATOM 0 H LEU A 81 -9.323 2.892 -15.824 1.00 0.36 H new ATOM 0 HA LEU A 81 -8.113 0.999 -17.700 1.00 0.40 H new ATOM 0 HB2 LEU A 81 -8.665 0.796 -14.721 1.00 0.41 H new ATOM 0 HB3 LEU A 81 -7.638 -0.262 -15.668 1.00 0.41 H new ATOM 0 HG LEU A 81 -7.110 2.700 -15.265 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -5.361 1.975 -13.691 1.00 0.43 H new ATOM 0 HD12 LEU A 81 -6.984 1.495 -13.140 1.00 0.43 H new ATOM 0 HD13 LEU A 81 -5.901 0.289 -13.875 1.00 0.43 H new ATOM 0 HD21 LEU A 81 -4.863 2.148 -16.104 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -5.380 0.466 -16.372 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -6.123 1.785 -17.307 1.00 0.50 H new ATOM 1332 N ASN A 82 -11.131 0.891 -17.222 1.00 0.44 N ATOM 1333 CA ASN A 82 -12.387 0.174 -17.406 1.00 0.48 C ATOM 1334 C ASN A 82 -12.616 -0.832 -16.283 1.00 0.43 C ATOM 1335 O ASN A 82 -12.418 -2.033 -16.464 1.00 0.66 O ATOM 1336 CB ASN A 82 -12.399 -0.540 -18.760 1.00 0.57 C ATOM 1337 CG ASN A 82 -12.244 0.423 -19.920 1.00 1.28 C ATOM 1338 OD1 ASN A 82 -12.658 1.580 -19.842 1.00 2.00 O ATOM 1339 ND2 ASN A 82 -11.646 -0.051 -21.006 1.00 2.01 N ATOM 0 H ASN A 82 -11.216 1.906 -17.279 1.00 0.44 H new ATOM 0 HA ASN A 82 -13.196 0.904 -17.381 1.00 0.48 H new ATOM 0 HB2 ASN A 82 -11.593 -1.273 -18.789 1.00 0.57 H new ATOM 0 HB3 ASN A 82 -13.334 -1.090 -18.870 1.00 0.57 H new ATOM 0 HD21 ASN A 82 -11.514 0.550 -21.819 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -11.318 -1.017 -21.027 1.00 2.01 H new ATOM 1346 N VAL A 83 -13.022 -0.334 -15.121 1.00 0.35 N ATOM 1347 CA VAL A 83 -13.281 -1.194 -13.975 1.00 0.35 C ATOM 1348 C VAL A 83 -14.761 -1.185 -13.615 1.00 0.43 C ATOM 1349 O VAL A 83 -15.259 -2.112 -12.976 1.00 0.50 O ATOM 1350 CB VAL A 83 -12.460 -0.757 -12.748 1.00 0.46 C ATOM 1351 CG1 VAL A 83 -10.997 -0.571 -13.120 1.00 1.16 C ATOM 1352 CG2 VAL A 83 -13.036 0.517 -12.152 1.00 1.39 C ATOM 0 H VAL A 83 -13.178 0.659 -14.949 1.00 0.35 H new ATOM 0 HA VAL A 83 -12.982 -2.204 -14.257 1.00 0.35 H new ATOM 0 HB VAL A 83 -12.518 -1.542 -11.994 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -10.434 -0.262 -12.239 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -10.595 -1.512 -13.496 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -10.912 0.194 -13.891 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -12.445 0.813 -11.285 1.00 1.39 H new ATOM 0 HG22 VAL A 83 -13.010 1.312 -12.898 1.00 1.39 H new ATOM 0 HG23 VAL A 83 -14.067 0.341 -11.845 1.00 1.39 H new ATOM 1362 N GLY A 84 -15.464 -0.130 -14.030 1.00 0.49 N ATOM 1363 CA GLY A 84 -16.882 -0.041 -13.748 1.00 0.67 C ATOM 1364 C GLY A 84 -17.402 1.379 -13.653 1.00 0.86 C ATOM 1365 O GLY A 84 -18.483 1.678 -14.160 1.00 1.76 O ATOM 0 H GLY A 84 -15.077 0.656 -14.552 1.00 0.49 H new ATOM 0 HA2 GLY A 84 -17.431 -0.567 -14.529 1.00 0.67 H new ATOM 0 HA3 GLY A 84 -17.089 -0.557 -12.810 1.00 0.67 H new ATOM 1369 N THR A 85 -16.643 2.257 -13.003 1.00 0.54 N ATOM 1370 CA THR A 85 -17.049 3.653 -12.851 1.00 0.53 C ATOM 1371 C THR A 85 -18.387 3.758 -12.120 1.00 0.75 C ATOM 1372 O THR A 85 -19.041 4.802 -12.147 1.00 1.28 O ATOM 1373 CB THR A 85 -17.185 4.360 -14.219 1.00 0.56 C ATOM 1374 OG1 THR A 85 -18.535 4.262 -14.690 1.00 0.64 O ATOM 1375 CG2 THR A 85 -16.251 3.744 -15.249 1.00 0.65 C ATOM 0 H THR A 85 -15.746 2.029 -12.574 1.00 0.54 H new ATOM 0 HA THR A 85 -16.268 4.142 -12.269 1.00 0.53 H new ATOM 0 HB THR A 85 -16.915 5.407 -14.083 1.00 0.56 H new ATOM 0 HG1 THR A 85 -18.824 3.326 -14.663 1.00 0.64 H new ATOM 0 HG21 THR A 85 -16.368 4.261 -16.201 1.00 0.65 H new ATOM 0 HG22 THR A 85 -15.220 3.840 -14.908 1.00 0.65 H new ATOM 0 HG23 THR A 85 -16.495 2.689 -15.376 1.00 0.65 H new ATOM 1383 N SER A 86 -18.784 2.674 -11.458 1.00 1.21 N ATOM 1384 CA SER A 86 -20.057 2.632 -10.740 1.00 1.44 C ATOM 1385 C SER A 86 -19.932 3.165 -9.313 1.00 0.94 C ATOM 1386 O SER A 86 -20.428 2.542 -8.375 1.00 1.80 O ATOM 1387 CB SER A 86 -20.594 1.200 -10.714 1.00 2.34 C ATOM 1388 OG SER A 86 -19.696 0.331 -10.044 1.00 2.95 O ATOM 0 H SER A 86 -18.242 1.811 -11.403 1.00 1.21 H new ATOM 0 HA SER A 86 -20.754 3.279 -11.272 1.00 1.44 H new ATOM 0 HB2 SER A 86 -21.563 1.181 -10.216 1.00 2.34 H new ATOM 0 HB3 SER A 86 -20.752 0.849 -11.734 1.00 2.34 H new ATOM 0 HG SER A 86 -20.063 -0.578 -10.039 1.00 2.95 H new ATOM 1394 N SER A 87 -19.285 4.321 -9.163 1.00 0.79 N ATOM 1395 CA SER A 87 -19.102 4.954 -7.852 1.00 1.15 C ATOM 1396 C SER A 87 -18.184 4.135 -6.946 1.00 0.95 C ATOM 1397 O SER A 87 -17.065 4.553 -6.646 1.00 0.92 O ATOM 1398 CB SER A 87 -20.455 5.175 -7.167 1.00 1.76 C ATOM 1399 OG SER A 87 -21.280 6.037 -7.931 1.00 2.42 O ATOM 0 H SER A 87 -18.875 4.843 -9.938 1.00 0.79 H new ATOM 0 HA SER A 87 -18.625 5.919 -8.024 1.00 1.15 H new ATOM 0 HB2 SER A 87 -20.956 4.217 -7.027 1.00 1.76 H new ATOM 0 HB3 SER A 87 -20.299 5.601 -6.176 1.00 1.76 H new ATOM 0 HG SER A 87 -22.138 6.160 -7.473 1.00 2.42 H new ATOM 1405 N SER A 88 -18.658 2.970 -6.510 1.00 0.90 N ATOM 1406 CA SER A 88 -17.872 2.103 -5.637 1.00 0.79 C ATOM 1407 C SER A 88 -16.565 1.707 -6.311 1.00 0.60 C ATOM 1408 O SER A 88 -15.585 1.368 -5.644 1.00 0.53 O ATOM 1409 CB SER A 88 -18.671 0.850 -5.274 1.00 0.91 C ATOM 1410 OG SER A 88 -19.012 0.108 -6.432 1.00 1.36 O ATOM 0 H SER A 88 -19.581 2.606 -6.747 1.00 0.90 H new ATOM 0 HA SER A 88 -17.642 2.654 -4.725 1.00 0.79 H new ATOM 0 HB2 SER A 88 -18.087 0.226 -4.598 1.00 0.91 H new ATOM 0 HB3 SER A 88 -19.578 1.135 -4.741 1.00 0.91 H new ATOM 0 HG SER A 88 -19.521 -0.688 -6.172 1.00 1.36 H new ATOM 1416 N ALA A 89 -16.557 1.750 -7.637 1.00 0.54 N ATOM 1417 CA ALA A 89 -15.368 1.409 -8.402 1.00 0.40 C ATOM 1418 C ALA A 89 -14.226 2.358 -8.064 1.00 0.33 C ATOM 1419 O ALA A 89 -13.063 1.960 -8.047 1.00 0.29 O ATOM 1420 CB ALA A 89 -15.667 1.441 -9.894 1.00 0.39 C ATOM 0 H ALA A 89 -17.362 2.018 -8.204 1.00 0.54 H new ATOM 0 HA ALA A 89 -15.064 0.397 -8.134 1.00 0.40 H new ATOM 0 HB1 ALA A 89 -14.766 1.183 -10.451 1.00 0.39 H new ATOM 0 HB2 ALA A 89 -16.453 0.722 -10.123 1.00 0.39 H new ATOM 0 HB3 ALA A 89 -15.996 2.441 -10.178 1.00 0.39 H new ATOM 1426 N ALA A 90 -14.567 3.614 -7.804 1.00 0.37 N ATOM 1427 CA ALA A 90 -13.573 4.621 -7.456 1.00 0.35 C ATOM 1428 C ALA A 90 -12.916 4.295 -6.122 1.00 0.34 C ATOM 1429 O ALA A 90 -11.695 4.370 -5.989 1.00 0.32 O ATOM 1430 CB ALA A 90 -14.213 6.000 -7.408 1.00 0.42 C ATOM 0 H ALA A 90 -15.526 3.960 -7.828 1.00 0.37 H new ATOM 0 HA ALA A 90 -12.801 4.619 -8.225 1.00 0.35 H new ATOM 0 HB1 ALA A 90 -13.459 6.742 -7.147 1.00 0.42 H new ATOM 0 HB2 ALA A 90 -14.635 6.239 -8.384 1.00 0.42 H new ATOM 0 HB3 ALA A 90 -15.005 6.008 -6.659 1.00 0.42 H new ATOM 1436 N SER A 91 -13.730 3.931 -5.135 1.00 0.38 N ATOM 1437 CA SER A 91 -13.216 3.588 -3.815 1.00 0.39 C ATOM 1438 C SER A 91 -12.305 2.369 -3.900 1.00 0.36 C ATOM 1439 O SER A 91 -11.212 2.355 -3.327 1.00 0.36 O ATOM 1440 CB SER A 91 -14.365 3.320 -2.840 1.00 0.45 C ATOM 1441 OG SER A 91 -15.117 2.185 -3.232 1.00 1.35 O ATOM 0 H SER A 91 -14.744 3.866 -5.225 1.00 0.38 H new ATOM 0 HA SER A 91 -12.638 4.434 -3.444 1.00 0.39 H new ATOM 0 HB2 SER A 91 -13.966 3.166 -1.837 1.00 0.45 H new ATOM 0 HB3 SER A 91 -15.017 4.193 -2.793 1.00 0.45 H new ATOM 0 HG SER A 91 -15.426 2.300 -4.155 1.00 1.35 H new ATOM 1447 N SER A 92 -12.754 1.349 -4.629 1.00 0.34 N ATOM 1448 CA SER A 92 -11.968 0.133 -4.788 1.00 0.33 C ATOM 1449 C SER A 92 -10.682 0.435 -5.542 1.00 0.29 C ATOM 1450 O SER A 92 -9.606 -0.030 -5.164 1.00 0.29 O ATOM 1451 CB SER A 92 -12.778 -0.935 -5.529 1.00 0.35 C ATOM 1452 OG SER A 92 -13.956 -1.267 -4.815 1.00 1.41 O ATOM 0 H SER A 92 -13.651 1.342 -5.114 1.00 0.34 H new ATOM 0 HA SER A 92 -11.715 -0.249 -3.799 1.00 0.33 H new ATOM 0 HB2 SER A 92 -13.041 -0.572 -6.523 1.00 0.35 H new ATOM 0 HB3 SER A 92 -12.168 -1.828 -5.667 1.00 0.35 H new ATOM 0 HG SER A 92 -14.622 -0.558 -4.935 1.00 1.41 H new ATOM 1458 N LEU A 93 -10.794 1.225 -6.607 1.00 0.27 N ATOM 1459 CA LEU A 93 -9.632 1.594 -7.399 1.00 0.24 C ATOM 1460 C LEU A 93 -8.742 2.533 -6.602 1.00 0.26 C ATOM 1461 O LEU A 93 -7.558 2.682 -6.897 1.00 0.27 O ATOM 1462 CB LEU A 93 -10.058 2.240 -8.720 1.00 0.21 C ATOM 1463 CG LEU A 93 -10.211 1.269 -9.896 1.00 0.23 C ATOM 1464 CD1 LEU A 93 -8.847 0.843 -10.416 1.00 0.23 C ATOM 1465 CD2 LEU A 93 -11.031 0.049 -9.491 1.00 0.29 C ATOM 0 H LEU A 93 -11.675 1.619 -6.937 1.00 0.27 H new ATOM 0 HA LEU A 93 -9.068 0.692 -7.636 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -11.007 2.754 -8.567 1.00 0.21 H new ATOM 0 HB3 LEU A 93 -9.324 3.000 -8.989 1.00 0.21 H new ATOM 0 HG LEU A 93 -10.742 1.786 -10.695 1.00 0.23 H new ATOM 0 HD11 LEU A 93 -8.975 0.154 -11.251 1.00 0.23 H new ATOM 0 HD12 LEU A 93 -8.295 1.721 -10.752 1.00 0.23 H new ATOM 0 HD13 LEU A 93 -8.292 0.348 -9.619 1.00 0.23 H new ATOM 0 HD21 LEU A 93 -11.125 -0.625 -10.342 1.00 0.29 H new ATOM 0 HD22 LEU A 93 -10.532 -0.469 -8.672 1.00 0.29 H new ATOM 0 HD23 LEU A 93 -12.022 0.368 -9.169 1.00 0.29 H new ATOM 1477 N LYS A 94 -9.329 3.175 -5.597 1.00 0.29 N ATOM 1478 CA LYS A 94 -8.584 4.078 -4.734 1.00 0.33 C ATOM 1479 C LYS A 94 -7.635 3.271 -3.862 1.00 0.34 C ATOM 1480 O LYS A 94 -6.435 3.543 -3.811 1.00 0.36 O ATOM 1481 CB LYS A 94 -9.534 4.883 -3.842 1.00 0.38 C ATOM 1482 CG LYS A 94 -9.342 6.390 -3.929 1.00 0.44 C ATOM 1483 CD LYS A 94 -7.939 6.812 -3.519 1.00 0.43 C ATOM 1484 CE LYS A 94 -7.658 6.486 -2.062 1.00 0.41 C ATOM 1485 NZ LYS A 94 -6.401 7.123 -1.582 1.00 0.48 N ATOM 0 H LYS A 94 -10.318 3.085 -5.362 1.00 0.29 H new ATOM 0 HA LYS A 94 -8.020 4.772 -5.358 1.00 0.33 H new ATOM 0 HB2 LYS A 94 -10.562 4.642 -4.114 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -9.396 4.569 -2.807 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -9.536 6.722 -4.949 1.00 0.44 H new ATOM 0 HG3 LYS A 94 -10.071 6.886 -3.288 1.00 0.44 H new ATOM 0 HD2 LYS A 94 -7.208 6.309 -4.152 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -7.819 7.883 -3.682 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -8.493 6.822 -1.447 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -7.587 5.405 -1.939 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -6.019 6.578 -0.783 1.00 0.48 H new ATOM 0 HZ2 LYS A 94 -5.704 7.141 -2.354 1.00 0.48 H new ATOM 0 HZ3 LYS A 94 -6.601 8.096 -1.273 1.00 0.48 H new ATOM 1499 N LYS A 95 -8.188 2.271 -3.176 1.00 0.34 N ATOM 1500 CA LYS A 95 -7.390 1.411 -2.313 1.00 0.37 C ATOM 1501 C LYS A 95 -6.407 0.601 -3.144 1.00 0.35 C ATOM 1502 O LYS A 95 -5.304 0.297 -2.696 1.00 0.39 O ATOM 1503 CB LYS A 95 -8.280 0.477 -1.494 1.00 0.40 C ATOM 1504 CG LYS A 95 -7.492 -0.545 -0.688 1.00 0.50 C ATOM 1505 CD LYS A 95 -8.331 -1.157 0.419 1.00 0.96 C ATOM 1506 CE LYS A 95 -7.539 -2.179 1.218 1.00 1.08 C ATOM 1507 NZ LYS A 95 -8.338 -2.750 2.337 1.00 1.19 N ATOM 0 H LYS A 95 -9.181 2.040 -3.203 1.00 0.34 H new ATOM 0 HA LYS A 95 -6.835 2.045 -1.622 1.00 0.37 H new ATOM 0 HB2 LYS A 95 -8.893 1.071 -0.816 1.00 0.40 H new ATOM 0 HB3 LYS A 95 -8.962 -0.046 -2.165 1.00 0.40 H new ATOM 0 HG2 LYS A 95 -7.134 -1.333 -1.351 1.00 0.50 H new ATOM 0 HG3 LYS A 95 -6.612 -0.068 -0.256 1.00 0.50 H new ATOM 0 HD2 LYS A 95 -8.687 -0.370 1.084 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -9.212 -1.633 -0.012 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -7.213 -2.983 0.558 1.00 1.08 H new ATOM 0 HE3 LYS A 95 -6.640 -1.710 1.617 1.00 1.08 H new ATOM 0 HZ1 LYS A 95 -7.762 -3.442 2.857 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.628 -1.987 2.982 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -9.183 -3.220 1.955 1.00 1.19 H new ATOM 1521 N GLN A 96 -6.816 0.240 -4.353 1.00 0.30 N ATOM 1522 CA GLN A 96 -5.949 -0.515 -5.242 1.00 0.30 C ATOM 1523 C GLN A 96 -4.806 0.365 -5.716 1.00 0.31 C ATOM 1524 O GLN A 96 -3.649 -0.048 -5.708 1.00 0.35 O ATOM 1525 CB GLN A 96 -6.735 -1.052 -6.435 1.00 0.29 C ATOM 1526 CG GLN A 96 -7.653 -2.209 -6.082 1.00 0.33 C ATOM 1527 CD GLN A 96 -6.910 -3.376 -5.462 1.00 0.57 C ATOM 1528 OE1 GLN A 96 -5.739 -3.611 -5.760 1.00 1.01 O ATOM 1529 NE2 GLN A 96 -7.591 -4.116 -4.596 1.00 1.11 N ATOM 0 H GLN A 96 -7.736 0.457 -4.737 1.00 0.30 H new ATOM 0 HA GLN A 96 -5.541 -1.364 -4.694 1.00 0.30 H new ATOM 0 HB2 GLN A 96 -7.329 -0.244 -6.862 1.00 0.29 H new ATOM 0 HB3 GLN A 96 -6.035 -1.375 -7.206 1.00 0.29 H new ATOM 0 HG2 GLN A 96 -8.419 -1.861 -5.389 1.00 0.33 H new ATOM 0 HG3 GLN A 96 -8.167 -2.547 -6.982 1.00 0.33 H new ATOM 0 HE21 GLN A 96 -8.560 -3.884 -4.379 1.00 1.11 H new ATOM 0 HE22 GLN A 96 -7.145 -4.916 -4.148 1.00 1.11 H new ATOM 1538 N TYR A 97 -5.133 1.597 -6.091 1.00 0.30 N ATOM 1539 CA TYR A 97 -4.132 2.539 -6.571 1.00 0.32 C ATOM 1540 C TYR A 97 -3.091 2.810 -5.497 1.00 0.36 C ATOM 1541 O TYR A 97 -1.895 2.842 -5.781 1.00 0.41 O ATOM 1542 CB TYR A 97 -4.799 3.847 -7.001 1.00 0.33 C ATOM 1543 CG TYR A 97 -3.853 5.029 -7.053 1.00 0.32 C ATOM 1544 CD1 TYR A 97 -3.079 5.277 -8.180 1.00 0.37 C ATOM 1545 CD2 TYR A 97 -3.730 5.891 -5.971 1.00 0.33 C ATOM 1546 CE1 TYR A 97 -2.210 6.349 -8.226 1.00 0.38 C ATOM 1547 CE2 TYR A 97 -2.864 6.967 -6.010 1.00 0.36 C ATOM 1548 CZ TYR A 97 -2.106 7.191 -7.139 1.00 0.36 C ATOM 1549 OH TYR A 97 -1.238 8.257 -7.180 1.00 0.41 O ATOM 0 H TYR A 97 -6.084 1.965 -6.071 1.00 0.30 H new ATOM 0 HA TYR A 97 -3.631 2.098 -7.433 1.00 0.32 H new ATOM 0 HB2 TYR A 97 -5.247 3.709 -7.985 1.00 0.33 H new ATOM 0 HB3 TYR A 97 -5.611 4.074 -6.310 1.00 0.33 H new ATOM 0 HD1 TYR A 97 -3.158 4.621 -9.034 1.00 0.37 H new ATOM 0 HD2 TYR A 97 -4.321 5.717 -5.084 1.00 0.33 H new ATOM 0 HE1 TYR A 97 -1.615 6.527 -9.109 1.00 0.38 H new ATOM 0 HE2 TYR A 97 -2.782 7.629 -5.160 1.00 0.36 H new ATOM 0 HH TYR A 97 -1.286 8.751 -6.335 1.00 0.41 H new ATOM 1559 N ILE A 98 -3.544 3.017 -4.263 1.00 0.37 N ATOM 1560 CA ILE A 98 -2.624 3.270 -3.167 1.00 0.42 C ATOM 1561 C ILE A 98 -1.824 2.012 -2.852 1.00 0.41 C ATOM 1562 O ILE A 98 -0.605 2.053 -2.750 1.00 0.41 O ATOM 1563 CB ILE A 98 -3.349 3.772 -1.898 1.00 0.44 C ATOM 1564 CG1 ILE A 98 -4.425 2.782 -1.455 1.00 0.41 C ATOM 1565 CG2 ILE A 98 -3.951 5.146 -2.149 1.00 0.47 C ATOM 1566 CD1 ILE A 98 -5.187 3.222 -0.222 1.00 0.44 C ATOM 0 H ILE A 98 -4.530 3.014 -4.003 1.00 0.37 H new ATOM 0 HA ILE A 98 -1.947 4.062 -3.488 1.00 0.42 H new ATOM 0 HB ILE A 98 -2.619 3.852 -1.092 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -5.130 2.635 -2.273 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -3.959 1.817 -1.258 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -4.460 5.490 -1.249 1.00 0.47 H new ATOM 0 HG22 ILE A 98 -3.159 5.848 -2.410 1.00 0.47 H new ATOM 0 HG23 ILE A 98 -4.666 5.085 -2.969 1.00 0.47 H new ATOM 0 HD11 ILE A 98 -5.933 2.469 0.032 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -4.494 3.341 0.611 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -5.683 4.172 -0.421 1.00 0.44 H new ATOM 1578 N GLN A 99 -2.510 0.884 -2.731 1.00 0.44 N ATOM 1579 CA GLN A 99 -1.838 -0.374 -2.447 1.00 0.45 C ATOM 1580 C GLN A 99 -0.924 -0.756 -3.604 1.00 0.47 C ATOM 1581 O GLN A 99 -0.045 -1.603 -3.459 1.00 0.52 O ATOM 1582 CB GLN A 99 -2.858 -1.487 -2.192 1.00 0.42 C ATOM 1583 CG GLN A 99 -3.606 -1.340 -0.876 1.00 0.43 C ATOM 1584 CD GLN A 99 -2.684 -1.388 0.326 1.00 1.26 C ATOM 1585 OE1 GLN A 99 -2.418 -2.456 0.877 1.00 2.14 O ATOM 1586 NE2 GLN A 99 -2.190 -0.227 0.741 1.00 1.84 N ATOM 0 H GLN A 99 -3.523 0.815 -2.824 1.00 0.44 H new ATOM 0 HA GLN A 99 -1.236 -0.245 -1.548 1.00 0.45 H new ATOM 0 HB2 GLN A 99 -3.579 -1.502 -3.010 1.00 0.42 H new ATOM 0 HB3 GLN A 99 -2.344 -2.448 -2.202 1.00 0.42 H new ATOM 0 HG2 GLN A 99 -4.150 -0.395 -0.875 1.00 0.43 H new ATOM 0 HG3 GLN A 99 -4.347 -2.135 -0.793 1.00 0.43 H new ATOM 0 HE21 GLN A 99 -2.437 0.635 0.255 1.00 1.84 H new ATOM 0 HE22 GLN A 99 -1.564 -0.198 1.546 1.00 1.84 H new ATOM 1595 N CYS A 100 -1.147 -0.126 -4.758 1.00 0.45 N ATOM 1596 CA CYS A 100 -0.362 -0.415 -5.954 1.00 0.49 C ATOM 1597 C CYS A 100 0.720 0.627 -6.244 1.00 0.60 C ATOM 1598 O CYS A 100 1.716 0.311 -6.893 1.00 0.72 O ATOM 1599 CB CYS A 100 -1.288 -0.488 -7.160 1.00 0.43 C ATOM 1600 SG CYS A 100 -0.604 -1.388 -8.570 1.00 0.55 S ATOM 0 H CYS A 100 -1.865 0.587 -4.888 1.00 0.45 H new ATOM 0 HA CYS A 100 0.140 -1.365 -5.768 1.00 0.49 H new ATOM 0 HB2 CYS A 100 -2.221 -0.964 -6.858 1.00 0.43 H new ATOM 0 HB3 CYS A 100 -1.534 0.526 -7.476 1.00 0.43 H new ATOM 0 HG CYS A 100 -1.468 -1.395 -9.541 1.00 0.55 H new ATOM 1606 N LEU A 101 0.541 1.864 -5.778 1.00 0.63 N ATOM 1607 CA LEU A 101 1.517 2.912 -6.086 1.00 0.81 C ATOM 1608 C LEU A 101 1.997 3.709 -4.873 1.00 0.75 C ATOM 1609 O LEU A 101 2.747 4.670 -5.039 1.00 0.85 O ATOM 1610 CB LEU A 101 0.936 3.882 -7.119 1.00 1.26 C ATOM 1611 CG LEU A 101 1.068 3.445 -8.580 1.00 0.67 C ATOM 1612 CD1 LEU A 101 0.082 2.334 -8.903 1.00 1.58 C ATOM 1613 CD2 LEU A 101 0.859 4.632 -9.509 1.00 1.42 C ATOM 0 H LEU A 101 -0.247 2.160 -5.202 1.00 0.63 H new ATOM 0 HA LEU A 101 2.389 2.389 -6.478 1.00 0.81 H new ATOM 0 HB2 LEU A 101 -0.121 4.032 -6.897 1.00 1.26 H new ATOM 0 HB3 LEU A 101 1.427 4.848 -7.001 1.00 1.26 H new ATOM 0 HG LEU A 101 2.076 3.058 -8.732 1.00 0.67 H new ATOM 0 HD11 LEU A 101 0.194 2.040 -9.947 1.00 1.58 H new ATOM 0 HD12 LEU A 101 0.278 1.475 -8.261 1.00 1.58 H new ATOM 0 HD13 LEU A 101 -0.935 2.689 -8.734 1.00 1.58 H new ATOM 0 HD21 LEU A 101 0.956 4.305 -10.544 1.00 1.42 H new ATOM 0 HD22 LEU A 101 -0.137 5.047 -9.351 1.00 1.42 H new ATOM 0 HD23 LEU A 101 1.608 5.396 -9.298 1.00 1.42 H new ATOM 1625 N TYR A 102 1.587 3.342 -3.665 1.00 0.74 N ATOM 1626 CA TYR A 102 2.033 4.092 -2.490 1.00 0.90 C ATOM 1627 C TYR A 102 3.520 3.883 -2.259 1.00 0.96 C ATOM 1628 O TYR A 102 4.288 4.845 -2.202 1.00 1.13 O ATOM 1629 CB TYR A 102 1.244 3.701 -1.240 1.00 0.98 C ATOM 1630 CG TYR A 102 0.916 4.872 -0.347 1.00 1.21 C ATOM 1631 CD1 TYR A 102 1.909 5.508 0.389 1.00 1.75 C ATOM 1632 CD2 TYR A 102 -0.386 5.344 -0.237 1.00 0.96 C ATOM 1633 CE1 TYR A 102 1.613 6.580 1.209 1.00 1.99 C ATOM 1634 CE2 TYR A 102 -0.689 6.415 0.581 1.00 1.21 C ATOM 1635 CZ TYR A 102 0.313 7.031 1.300 1.00 1.70 C ATOM 1636 OH TYR A 102 0.014 8.098 2.116 1.00 1.96 O ATOM 0 H TYR A 102 0.966 2.556 -3.472 1.00 0.74 H new ATOM 0 HA TYR A 102 1.849 5.149 -2.684 1.00 0.90 H new ATOM 0 HB2 TYR A 102 0.317 3.213 -1.542 1.00 0.98 H new ATOM 0 HB3 TYR A 102 1.818 2.970 -0.671 1.00 0.98 H new ATOM 0 HD1 TYR A 102 2.928 5.159 0.319 1.00 1.75 H new ATOM 0 HD2 TYR A 102 -1.174 4.866 -0.800 1.00 0.96 H new ATOM 0 HE1 TYR A 102 2.396 7.062 1.776 1.00 1.99 H new ATOM 0 HE2 TYR A 102 -1.707 6.768 0.657 1.00 1.21 H new ATOM 0 HH TYR A 102 -0.946 8.290 2.065 1.00 1.96 H new ATOM 1646 N ALA A 103 3.929 2.628 -2.125 1.00 0.96 N ATOM 1647 CA ALA A 103 5.336 2.316 -1.939 1.00 1.15 C ATOM 1648 C ALA A 103 6.038 2.423 -3.278 1.00 1.04 C ATOM 1649 O ALA A 103 7.208 2.804 -3.362 1.00 1.16 O ATOM 1650 CB ALA A 103 5.516 0.929 -1.347 1.00 1.39 C ATOM 0 H ALA A 103 3.311 1.817 -2.142 1.00 0.96 H new ATOM 0 HA ALA A 103 5.773 3.026 -1.236 1.00 1.15 H new ATOM 0 HB1 ALA A 103 6.579 0.723 -1.219 1.00 1.39 H new ATOM 0 HB2 ALA A 103 5.018 0.879 -0.379 1.00 1.39 H new ATOM 0 HB3 ALA A 103 5.081 0.188 -2.018 1.00 1.39 H new ATOM 1656 N PHE A 104 5.298 2.085 -4.329 1.00 0.87 N ATOM 1657 CA PHE A 104 5.815 2.156 -5.680 1.00 0.87 C ATOM 1658 C PHE A 104 6.194 3.586 -6.011 1.00 0.85 C ATOM 1659 O PHE A 104 7.104 3.816 -6.793 1.00 0.93 O ATOM 1660 CB PHE A 104 4.782 1.647 -6.684 1.00 0.96 C ATOM 1661 CG PHE A 104 5.319 1.484 -8.077 1.00 1.89 C ATOM 1662 CD1 PHE A 104 6.030 0.347 -8.427 1.00 2.36 C ATOM 1663 CD2 PHE A 104 5.119 2.467 -9.031 1.00 2.80 C ATOM 1664 CE1 PHE A 104 6.530 0.194 -9.706 1.00 3.48 C ATOM 1665 CE2 PHE A 104 5.618 2.318 -10.311 1.00 4.03 C ATOM 1666 CZ PHE A 104 6.299 1.180 -10.659 1.00 4.31 C ATOM 0 H PHE A 104 4.334 1.758 -4.264 1.00 0.87 H new ATOM 0 HA PHE A 104 6.699 1.522 -5.745 1.00 0.87 H new ATOM 0 HB2 PHE A 104 4.396 0.688 -6.339 1.00 0.96 H new ATOM 0 HB3 PHE A 104 3.941 2.339 -6.708 1.00 0.96 H new ATOM 0 HD1 PHE A 104 6.195 -0.427 -7.692 1.00 2.36 H new ATOM 0 HD2 PHE A 104 4.568 3.359 -8.772 1.00 2.80 H new ATOM 0 HE1 PHE A 104 7.098 -0.688 -9.964 1.00 3.48 H new ATOM 0 HE2 PHE A 104 5.471 3.101 -11.040 1.00 4.03 H new ATOM 0 HZ PHE A 104 6.655 1.050 -11.670 1.00 4.31 H new ATOM 1676 N GLU A 105 5.481 4.551 -5.422 1.00 0.90 N ATOM 1677 CA GLU A 105 5.783 5.956 -5.663 1.00 1.14 C ATOM 1678 C GLU A 105 7.221 6.250 -5.253 1.00 1.25 C ATOM 1679 O GLU A 105 7.984 6.850 -6.001 1.00 1.40 O ATOM 1680 CB GLU A 105 4.810 6.851 -4.885 1.00 1.31 C ATOM 1681 CG GLU A 105 5.136 8.338 -4.960 1.00 1.56 C ATOM 1682 CD GLU A 105 6.149 8.769 -3.917 1.00 2.56 C ATOM 1683 OE1 GLU A 105 5.773 8.869 -2.731 1.00 3.26 O ATOM 1684 OE2 GLU A 105 7.318 9.008 -4.287 1.00 2.95 O ATOM 0 H GLU A 105 4.702 4.384 -4.785 1.00 0.90 H new ATOM 0 HA GLU A 105 5.668 6.168 -6.726 1.00 1.14 H new ATOM 0 HB2 GLU A 105 3.802 6.691 -5.267 1.00 1.31 H new ATOM 0 HB3 GLU A 105 4.807 6.543 -3.839 1.00 1.31 H new ATOM 0 HG2 GLU A 105 5.521 8.572 -5.953 1.00 1.56 H new ATOM 0 HG3 GLU A 105 4.220 8.914 -4.830 1.00 1.56 H new ATOM 1691 N CYS A 106 7.590 5.794 -4.068 1.00 1.26 N ATOM 1692 CA CYS A 106 8.940 5.986 -3.561 1.00 1.44 C ATOM 1693 C CYS A 106 9.918 5.160 -4.377 1.00 1.36 C ATOM 1694 O CYS A 106 11.063 5.553 -4.600 1.00 1.50 O ATOM 1695 CB CYS A 106 9.014 5.558 -2.095 1.00 1.58 C ATOM 1696 SG CYS A 106 10.453 6.201 -1.208 1.00 1.89 S ATOM 0 H CYS A 106 6.971 5.286 -3.436 1.00 1.26 H new ATOM 0 HA CYS A 106 9.200 7.042 -3.641 1.00 1.44 H new ATOM 0 HB2 CYS A 106 8.109 5.889 -1.585 1.00 1.58 H new ATOM 0 HB3 CYS A 106 9.027 4.469 -2.046 1.00 1.58 H new ATOM 0 HG CYS A 106 10.425 5.786 0.024 1.00 1.89 H new ATOM 1702 N LYS A 107 9.440 4.008 -4.812 1.00 1.19 N ATOM 1703 CA LYS A 107 10.238 3.062 -5.573 1.00 1.19 C ATOM 1704 C LYS A 107 10.468 3.479 -7.026 1.00 1.18 C ATOM 1705 O LYS A 107 11.483 3.119 -7.620 1.00 1.25 O ATOM 1706 CB LYS A 107 9.533 1.714 -5.552 1.00 1.17 C ATOM 1707 CG LYS A 107 10.467 0.523 -5.670 1.00 1.31 C ATOM 1708 CD LYS A 107 9.742 -0.772 -5.351 1.00 1.24 C ATOM 1709 CE LYS A 107 9.272 -0.808 -3.906 1.00 2.00 C ATOM 1710 NZ LYS A 107 10.410 -0.733 -2.949 1.00 2.84 N ATOM 0 H LYS A 107 8.482 3.700 -4.647 1.00 1.19 H new ATOM 0 HA LYS A 107 11.220 3.019 -5.103 1.00 1.19 H new ATOM 0 HB2 LYS A 107 8.966 1.627 -4.625 1.00 1.17 H new ATOM 0 HB3 LYS A 107 8.813 1.680 -6.370 1.00 1.17 H new ATOM 0 HG2 LYS A 107 10.876 0.476 -6.679 1.00 1.31 H new ATOM 0 HG3 LYS A 107 11.310 0.649 -4.990 1.00 1.31 H new ATOM 0 HD2 LYS A 107 8.885 -0.884 -6.016 1.00 1.24 H new ATOM 0 HD3 LYS A 107 10.404 -1.617 -5.540 1.00 1.24 H new ATOM 0 HE2 LYS A 107 8.591 0.023 -3.725 1.00 2.00 H new ATOM 0 HE3 LYS A 107 8.710 -1.725 -3.730 1.00 2.00 H new ATOM 0 HZ1 LYS A 107 10.082 -0.996 -1.998 1.00 2.84 H new ATOM 0 HZ2 LYS A 107 11.160 -1.388 -3.250 1.00 2.84 H new ATOM 0 HZ3 LYS A 107 10.784 0.237 -2.930 1.00 2.84 H new ATOM 1724 N ILE A 108 9.516 4.181 -7.621 1.00 1.14 N ATOM 1725 CA ILE A 108 9.651 4.571 -9.018 1.00 1.20 C ATOM 1726 C ILE A 108 10.232 5.977 -9.241 1.00 1.36 C ATOM 1727 O ILE A 108 11.100 6.156 -10.097 1.00 1.39 O ATOM 1728 CB ILE A 108 8.294 4.453 -9.731 1.00 1.14 C ATOM 1729 CG1 ILE A 108 8.468 4.557 -11.242 1.00 1.21 C ATOM 1730 CG2 ILE A 108 7.330 5.502 -9.222 1.00 1.42 C ATOM 1731 CD1 ILE A 108 9.186 3.369 -11.841 1.00 1.07 C ATOM 0 H ILE A 108 8.655 4.489 -7.169 1.00 1.14 H new ATOM 0 HA ILE A 108 10.377 3.878 -9.444 1.00 1.20 H new ATOM 0 HB ILE A 108 7.873 3.472 -9.508 1.00 1.14 H new ATOM 0 HG12 ILE A 108 7.488 4.654 -11.708 1.00 1.21 H new ATOM 0 HG13 ILE A 108 9.024 5.465 -11.476 1.00 1.21 H new ATOM 0 HG21 ILE A 108 6.376 5.401 -9.739 1.00 1.42 H new ATOM 0 HG22 ILE A 108 7.178 5.367 -8.151 1.00 1.42 H new ATOM 0 HG23 ILE A 108 7.741 6.494 -9.408 1.00 1.42 H new ATOM 0 HD11 ILE A 108 9.278 3.505 -12.919 1.00 1.07 H new ATOM 0 HD12 ILE A 108 10.179 3.284 -11.400 1.00 1.07 H new ATOM 0 HD13 ILE A 108 8.619 2.461 -11.637 1.00 1.07 H new ATOM 1743 N GLU A 109 9.755 6.974 -8.491 1.00 1.53 N ATOM 1744 CA GLU A 109 10.227 8.353 -8.676 1.00 1.75 C ATOM 1745 C GLU A 109 11.249 8.810 -7.634 1.00 1.94 C ATOM 1746 O GLU A 109 12.245 9.448 -7.979 1.00 1.93 O ATOM 1747 CB GLU A 109 9.039 9.317 -8.708 1.00 2.21 C ATOM 1748 CG GLU A 109 7.880 8.885 -7.828 1.00 2.67 C ATOM 1749 CD GLU A 109 6.671 9.791 -7.967 1.00 3.61 C ATOM 1750 OE1 GLU A 109 6.595 10.797 -7.231 1.00 3.70 O ATOM 1751 OE2 GLU A 109 5.801 9.495 -8.813 1.00 4.40 O ATOM 0 H GLU A 109 9.053 6.858 -7.760 1.00 1.53 H new ATOM 0 HA GLU A 109 10.749 8.365 -9.633 1.00 1.75 H new ATOM 0 HB2 GLU A 109 9.375 10.305 -8.392 1.00 2.21 H new ATOM 0 HB3 GLU A 109 8.688 9.413 -9.735 1.00 2.21 H new ATOM 0 HG2 GLU A 109 7.596 7.864 -8.084 1.00 2.67 H new ATOM 0 HG3 GLU A 109 8.203 8.874 -6.787 1.00 2.67 H new ATOM 1758 N ARG A 110 11.006 8.494 -6.368 1.00 2.33 N ATOM 1759 CA ARG A 110 11.907 8.908 -5.294 1.00 2.84 C ATOM 1760 C ARG A 110 13.239 8.167 -5.380 1.00 2.84 C ATOM 1761 O ARG A 110 13.702 7.849 -6.474 1.00 3.18 O ATOM 1762 CB ARG A 110 11.241 8.669 -3.944 1.00 3.59 C ATOM 1763 CG ARG A 110 11.723 9.619 -2.861 1.00 4.30 C ATOM 1764 CD ARG A 110 10.689 9.772 -1.763 1.00 5.11 C ATOM 1765 NE ARG A 110 9.621 10.693 -2.141 1.00 6.04 N ATOM 1766 CZ ARG A 110 8.846 11.324 -1.264 1.00 6.84 C ATOM 1767 NH1 ARG A 110 9.013 11.126 0.037 1.00 6.92 N ATOM 1768 NH2 ARG A 110 7.901 12.151 -1.687 1.00 7.79 N ATOM 0 H ARG A 110 10.197 7.955 -6.058 1.00 2.33 H new ATOM 0 HA ARG A 110 12.115 9.972 -5.403 1.00 2.84 H new ATOM 0 HB2 ARG A 110 10.162 8.773 -4.055 1.00 3.59 H new ATOM 0 HB3 ARG A 110 11.431 7.643 -3.629 1.00 3.59 H new ATOM 0 HG2 ARG A 110 12.655 9.247 -2.436 1.00 4.30 H new ATOM 0 HG3 ARG A 110 11.939 10.594 -3.299 1.00 4.30 H new ATOM 0 HD2 ARG A 110 10.261 8.797 -1.530 1.00 5.11 H new ATOM 0 HD3 ARG A 110 11.174 10.132 -0.856 1.00 5.11 H new ATOM 0 HE ARG A 110 9.460 10.862 -3.134 1.00 6.04 H new ATOM 0 HH11 ARG A 110 9.737 10.488 0.367 1.00 6.92 H new ATOM 0 HH12 ARG A 110 8.417 11.611 0.707 1.00 6.92 H new ATOM 0 HH21 ARG A 110 7.767 12.304 -2.687 1.00 7.79 H new ATOM 0 HH22 ARG A 110 7.307 12.634 -1.013 1.00 7.79 H new ATOM 1782 N GLY A 111 13.870 7.913 -4.229 1.00 3.09 N ATOM 1783 CA GLY A 111 15.134 7.193 -4.225 1.00 3.57 C ATOM 1784 C GLY A 111 15.034 5.924 -5.043 1.00 3.37 C ATOM 1785 O GLY A 111 16.037 5.374 -5.492 1.00 3.90 O ATOM 0 H GLY A 111 13.530 8.191 -3.309 1.00 3.09 H new ATOM 0 HA2 GLY A 111 15.921 7.830 -4.629 1.00 3.57 H new ATOM 0 HA3 GLY A 111 15.415 6.949 -3.201 1.00 3.57 H new ATOM 1789 N GLU A 112 13.799 5.475 -5.224 1.00 2.96 N ATOM 1790 CA GLU A 112 13.490 4.287 -6.002 1.00 3.23 C ATOM 1791 C GLU A 112 13.930 3.000 -5.315 1.00 3.81 C ATOM 1792 O GLU A 112 13.128 2.345 -4.651 1.00 4.33 O ATOM 1793 CB GLU A 112 14.084 4.384 -7.411 1.00 2.71 C ATOM 1794 CG GLU A 112 13.358 5.386 -8.294 1.00 2.52 C ATOM 1795 CD GLU A 112 14.240 5.948 -9.391 1.00 3.43 C ATOM 1796 OE1 GLU A 112 14.320 5.320 -10.468 1.00 4.13 O ATOM 1797 OE2 GLU A 112 14.850 7.016 -9.174 1.00 3.75 O ATOM 0 H GLU A 112 12.976 5.932 -4.830 1.00 2.96 H new ATOM 0 HA GLU A 112 12.404 4.243 -6.083 1.00 3.23 H new ATOM 0 HB2 GLU A 112 15.134 4.667 -7.338 1.00 2.71 H new ATOM 0 HB3 GLU A 112 14.050 3.402 -7.882 1.00 2.71 H new ATOM 0 HG2 GLU A 112 12.489 4.905 -8.743 1.00 2.52 H new ATOM 0 HG3 GLU A 112 12.986 6.205 -7.678 1.00 2.52 H new ATOM 1804 N ASP A 113 15.195 2.635 -5.461 1.00 4.16 N ATOM 1805 CA ASP A 113 15.675 1.398 -4.858 1.00 4.98 C ATOM 1806 C ASP A 113 17.206 1.341 -4.747 1.00 5.17 C ATOM 1807 O ASP A 113 17.726 0.962 -3.698 1.00 5.40 O ATOM 1808 CB ASP A 113 15.152 0.207 -5.664 1.00 5.30 C ATOM 1809 CG ASP A 113 15.152 -1.081 -4.863 1.00 6.34 C ATOM 1810 OD1 ASP A 113 16.244 -1.646 -4.648 1.00 6.92 O ATOM 1811 OD2 ASP A 113 14.059 -1.522 -4.450 1.00 6.77 O ATOM 0 H ASP A 113 15.896 3.164 -5.980 1.00 4.16 H new ATOM 0 HA ASP A 113 15.293 1.359 -3.838 1.00 4.98 H new ATOM 0 HB2 ASP A 113 14.138 0.420 -6.004 1.00 5.30 H new ATOM 0 HB3 ASP A 113 15.767 0.077 -6.555 1.00 5.30 H new ATOM 1816 N PRO A 114 17.954 1.705 -5.815 1.00 5.29 N ATOM 1817 CA PRO A 114 19.422 1.679 -5.794 1.00 5.63 C ATOM 1818 C PRO A 114 20.033 2.189 -4.479 1.00 6.02 C ATOM 1819 O PRO A 114 20.941 1.554 -3.943 1.00 6.48 O ATOM 1820 CB PRO A 114 19.799 2.580 -6.967 1.00 5.90 C ATOM 1821 CG PRO A 114 18.694 2.384 -7.945 1.00 5.86 C ATOM 1822 CD PRO A 114 17.445 2.152 -7.132 1.00 5.38 C ATOM 0 HA PRO A 114 19.806 0.662 -5.873 1.00 5.63 H new ATOM 0 HB2 PRO A 114 19.879 3.623 -6.659 1.00 5.90 H new ATOM 0 HB3 PRO A 114 20.762 2.299 -7.392 1.00 5.90 H new ATOM 0 HG2 PRO A 114 18.583 3.258 -8.587 1.00 5.86 H new ATOM 0 HG3 PRO A 114 18.897 1.534 -8.596 1.00 5.86 H new ATOM 0 HD2 PRO A 114 16.852 3.062 -7.043 1.00 5.38 H new ATOM 0 HD3 PRO A 114 16.805 1.398 -7.590 1.00 5.38 H new ATOM 1830 N PRO A 115 19.562 3.338 -3.933 1.00 6.12 N ATOM 1831 CA PRO A 115 20.091 3.877 -2.672 1.00 6.70 C ATOM 1832 C PRO A 115 20.137 2.825 -1.563 1.00 7.65 C ATOM 1833 O PRO A 115 19.478 1.788 -1.660 1.00 8.07 O ATOM 1834 CB PRO A 115 19.101 4.987 -2.317 1.00 6.80 C ATOM 1835 CG PRO A 115 18.559 5.435 -3.627 1.00 6.57 C ATOM 1836 CD PRO A 115 18.502 4.204 -4.490 1.00 6.02 C ATOM 0 HA PRO A 115 21.119 4.223 -2.777 1.00 6.70 H new ATOM 0 HB2 PRO A 115 18.309 4.619 -1.665 1.00 6.80 H new ATOM 0 HB3 PRO A 115 19.593 5.805 -1.791 1.00 6.80 H new ATOM 0 HG2 PRO A 115 17.569 5.877 -3.510 1.00 6.57 H new ATOM 0 HG3 PRO A 115 19.197 6.197 -4.074 1.00 6.57 H new ATOM 0 HD2 PRO A 115 17.525 3.724 -4.439 1.00 6.02 H new ATOM 0 HD3 PRO A 115 18.687 4.440 -5.538 1.00 6.02 H new ATOM 1844 N PRO A 116 20.911 3.075 -0.490 1.00 8.23 N ATOM 1845 CA PRO A 116 21.036 2.137 0.623 1.00 9.31 C ATOM 1846 C PRO A 116 19.863 2.216 1.597 1.00 9.94 C ATOM 1847 O PRO A 116 19.000 1.338 1.610 1.00 10.77 O ATOM 1848 CB PRO A 116 22.336 2.576 1.296 1.00 9.77 C ATOM 1849 CG PRO A 116 22.430 4.040 1.032 1.00 9.23 C ATOM 1850 CD PRO A 116 21.722 4.291 -0.276 1.00 8.14 C ATOM 0 HA PRO A 116 21.039 1.100 0.288 1.00 9.31 H new ATOM 0 HB2 PRO A 116 22.317 2.368 2.366 1.00 9.77 H new ATOM 0 HB3 PRO A 116 23.193 2.044 0.883 1.00 9.77 H new ATOM 0 HG2 PRO A 116 21.967 4.609 1.838 1.00 9.23 H new ATOM 0 HG3 PRO A 116 23.471 4.357 0.975 1.00 9.23 H new ATOM 0 HD2 PRO A 116 21.097 5.182 -0.225 1.00 8.14 H new ATOM 0 HD3 PRO A 116 22.431 4.445 -1.089 1.00 8.14 H new ATOM 1858 N ASP A 117 19.833 3.276 2.403 1.00 9.71 N ATOM 1859 CA ASP A 117 18.771 3.464 3.385 1.00 10.46 C ATOM 1860 C ASP A 117 18.937 4.801 4.103 1.00 11.09 C ATOM 1861 O ASP A 117 18.260 5.076 5.094 1.00 12.07 O ATOM 1862 CB ASP A 117 18.789 2.318 4.397 1.00 11.26 C ATOM 1863 CG ASP A 117 17.617 2.365 5.358 1.00 11.99 C ATOM 1864 OD1 ASP A 117 16.511 1.937 4.967 1.00 12.06 O ATOM 1865 OD2 ASP A 117 17.805 2.834 6.501 1.00 12.59 O ATOM 0 H ASP A 117 20.533 4.017 2.394 1.00 9.71 H new ATOM 0 HA ASP A 117 17.812 3.467 2.866 1.00 10.46 H new ATOM 0 HB2 ASP A 117 18.778 1.368 3.863 1.00 11.26 H new ATOM 0 HB3 ASP A 117 19.719 2.354 4.964 1.00 11.26 H new ATOM 1870 N ILE A 118 19.841 5.629 3.590 1.00 10.65 N ATOM 1871 CA ILE A 118 20.106 6.936 4.179 1.00 11.40 C ATOM 1872 C ILE A 118 18.835 7.781 4.243 1.00 11.83 C ATOM 1873 O ILE A 118 17.866 7.519 3.529 1.00 11.94 O ATOM 1874 CB ILE A 118 21.192 7.694 3.389 1.00 11.08 C ATOM 1875 CG1 ILE A 118 21.681 8.909 4.183 1.00 12.09 C ATOM 1876 CG2 ILE A 118 20.664 8.120 2.024 1.00 10.32 C ATOM 1877 CD1 ILE A 118 22.902 9.573 3.585 1.00 12.08 C ATOM 0 H ILE A 118 20.403 5.417 2.766 1.00 10.65 H new ATOM 0 HA ILE A 118 20.465 6.764 5.194 1.00 11.40 H new ATOM 0 HB ILE A 118 22.037 7.023 3.233 1.00 11.08 H new ATOM 0 HG12 ILE A 118 20.875 9.640 4.246 1.00 12.09 H new ATOM 0 HG13 ILE A 118 21.910 8.598 5.202 1.00 12.09 H new ATOM 0 HG21 ILE A 118 21.445 8.653 1.482 1.00 10.32 H new ATOM 0 HG22 ILE A 118 20.367 7.238 1.457 1.00 10.32 H new ATOM 0 HG23 ILE A 118 19.802 8.774 2.155 1.00 10.32 H new ATOM 0 HD11 ILE A 118 23.191 10.425 4.200 1.00 12.08 H new ATOM 0 HD12 ILE A 118 23.723 8.858 3.547 1.00 12.08 H new ATOM 0 HD13 ILE A 118 22.672 9.915 2.576 1.00 12.08 H new ATOM 1889 N PHE A 119 18.849 8.795 5.104 1.00 12.27 N ATOM 1890 CA PHE A 119 17.704 9.685 5.276 1.00 12.90 C ATOM 1891 C PHE A 119 17.249 10.263 3.939 1.00 12.45 C ATOM 1892 O PHE A 119 18.013 10.303 2.974 1.00 12.29 O ATOM 1893 CB PHE A 119 18.060 10.821 6.238 1.00 13.53 C ATOM 1894 CG PHE A 119 18.548 10.347 7.577 1.00 14.30 C ATOM 1895 CD1 PHE A 119 19.869 9.970 7.753 1.00 14.84 C ATOM 1896 CD2 PHE A 119 17.686 10.278 8.659 1.00 14.59 C ATOM 1897 CE1 PHE A 119 20.323 9.533 8.982 1.00 15.66 C ATOM 1898 CE2 PHE A 119 18.134 9.841 9.892 1.00 15.41 C ATOM 1899 CZ PHE A 119 19.454 9.468 10.053 1.00 15.96 C ATOM 0 H PHE A 119 19.647 9.022 5.698 1.00 12.27 H new ATOM 0 HA PHE A 119 16.884 9.101 5.693 1.00 12.90 H new ATOM 0 HB2 PHE A 119 18.828 11.445 5.781 1.00 13.53 H new ATOM 0 HB3 PHE A 119 17.182 11.451 6.383 1.00 13.53 H new ATOM 0 HD1 PHE A 119 20.553 10.018 6.919 1.00 14.84 H new ATOM 0 HD2 PHE A 119 16.653 10.569 8.538 1.00 14.59 H new ATOM 0 HE1 PHE A 119 21.356 9.243 9.105 1.00 15.66 H new ATOM 0 HE2 PHE A 119 17.452 9.791 10.728 1.00 15.41 H new ATOM 0 HZ PHE A 119 19.806 9.126 11.015 1.00 15.96 H new ATOM 1909 N ALA A 120 15.997 10.707 3.891 1.00 12.44 N ATOM 1910 CA ALA A 120 15.436 11.284 2.675 1.00 12.26 C ATOM 1911 C ALA A 120 15.978 12.689 2.432 1.00 12.67 C ATOM 1912 O ALA A 120 15.385 13.653 2.961 1.00 13.33 O ATOM 1913 CB ALA A 120 13.916 11.308 2.758 1.00 12.38 C ATOM 1914 OXT ALA A 120 16.993 12.814 1.714 1.00 12.49 O ATOM 0 H ALA A 120 15.352 10.678 4.680 1.00 12.44 H new ATOM 0 HA ALA A 120 15.734 10.659 1.833 1.00 12.26 H new ATOM 0 HB1 ALA A 120 13.509 11.741 1.844 1.00 12.38 H new ATOM 0 HB2 ALA A 120 13.542 10.291 2.876 1.00 12.38 H new ATOM 0 HB3 ALA A 120 13.608 11.909 3.613 1.00 12.38 H new TER 1920 ALA A 120