USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1202 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 81 THR OG1 : rot 74:sc= -1.2! USER MOD Set 1.2: B 7 MET CE :methyl -134:sc= -12.2! (180deg=-17.6!) USER MOD Set 1.3: B 74 MET CE :methyl -158:sc= -4.79! (180deg=-6.83!) USER MOD Set 2.1: A 7 MET CE :methyl -141:sc= -12.7! (180deg=-17.9!) USER MOD Set 2.2: A 74 MET CE :methyl -160:sc= -4.78! (180deg=-6.75!) USER MOD Set 2.3: B 81 THR OG1 : rot 69:sc= -1.1 USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.107 (180deg=0) USER MOD Single : A 1 SER OG : rot 100:sc= -0.669 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.049) USER MOD Single : A 16 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.8!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0396 USER MOD Single : A 18 SER OG : rot 57:sc= 0.169 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -105:sc= -2.85 (180deg=-6.86!) USER MOD Single : A 30 SER OG : rot 96:sc= 0.817 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0922 K(o=-0.092,f=-2.1!) USER MOD Single : A 38 ASN : amide:sc= -1.01 K(o=-1,f=-0.043) USER MOD Single : A 41 SER OG : rot -77:sc= 0.579 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.171) USER MOD Single : A 57 MET CE :methyl -151:sc= -2.08 (180deg=-3.36!) USER MOD Single : A 59 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 68 CYS SG : rot 180:sc= -5.46! USER MOD Single : A 71 GLN : amide:sc= -1.79 K(o=-1.8,f=-1) USER MOD Single : A 78 SER OG : rot -168:sc= -0.256 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -69:sc= -0.568! USER MOD Single : B 1 SER N :NH3+ -109:sc= 0.0735 (180deg=0) USER MOD Single : B 1 SER OG : rot 100:sc= -0.797 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.047) USER MOD Single : B 16 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.9!) USER MOD Single : B 17 TYR OH : rot 180:sc= -0.0392 USER MOD Single : B 18 SER OG : rot 58:sc= 0.17 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -113:sc= -2.88 (180deg=-6.85!) USER MOD Single : B 30 SER OG : rot 96:sc= 0.818 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.0814 K(o=-0.081,f=-2.1!) USER MOD Single : B 38 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.042) USER MOD Single : B 41 SER OG : rot -77:sc= 0.55 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 55 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.161) USER MOD Single : B 57 MET CE :methyl -156:sc= -2.12! (180deg=-3.4!) USER MOD Single : B 59 THR OG1 : rot 91:sc= 1.16 USER MOD Single : B 68 CYS SG : rot 180:sc= -5.41! USER MOD Single : B 71 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.97) USER MOD Single : B 78 SER OG : rot -160:sc= -0.267 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -71:sc= -0.742! USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 8.689 3.293 -13.804 1.00 0.00 N ATOM 21 CA SER A 1 9.258 2.212 -12.948 1.00 0.00 C ATOM 22 C SER A 1 8.149 1.241 -12.541 1.00 0.00 C ATOM 23 O SER A 1 6.985 1.466 -12.805 1.00 0.00 O ATOM 24 CB SER A 1 9.875 2.827 -11.692 1.00 0.00 C ATOM 25 OG SER A 1 9.715 1.927 -10.603 1.00 0.00 O ATOM 0 H1 SER A 1 9.106 3.239 -14.755 1.00 0.00 H new ATOM 0 H2 SER A 1 7.658 3.176 -13.871 1.00 0.00 H new ATOM 0 H3 SER A 1 8.905 4.219 -13.383 1.00 0.00 H new ATOM 0 HA SER A 1 10.024 1.676 -13.508 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.933 3.034 -11.856 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.395 3.779 -11.466 1.00 0.00 H new ATOM 0 HG SER A 1 10.551 1.436 -10.459 1.00 0.00 H new ATOM 31 N GLU A 2 8.503 0.160 -11.900 1.00 0.00 N ATOM 32 CA GLU A 2 7.475 -0.828 -11.474 1.00 0.00 C ATOM 33 C GLU A 2 6.800 -0.346 -10.187 1.00 0.00 C ATOM 34 O GLU A 2 5.595 -0.395 -10.051 1.00 0.00 O ATOM 35 CB GLU A 2 8.145 -2.182 -11.222 1.00 0.00 C ATOM 36 CG GLU A 2 7.495 -3.247 -12.107 1.00 0.00 C ATOM 37 CD GLU A 2 7.826 -2.963 -13.573 1.00 0.00 C ATOM 38 OE1 GLU A 2 8.997 -2.816 -13.878 1.00 0.00 O ATOM 39 OE2 GLU A 2 6.902 -2.895 -14.366 1.00 0.00 O ATOM 0 H GLU A 2 9.463 -0.081 -11.653 1.00 0.00 H new ATOM 0 HA GLU A 2 6.725 -0.931 -12.258 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.212 -2.117 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.048 -2.458 -10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.855 -4.237 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.415 -3.247 -11.960 1.00 0.00 H new ATOM 46 N LEU A 3 7.571 0.112 -9.237 1.00 0.00 N ATOM 47 CA LEU A 3 6.976 0.589 -7.955 1.00 0.00 C ATOM 48 C LEU A 3 6.423 2.002 -8.131 1.00 0.00 C ATOM 49 O LEU A 3 5.350 2.322 -7.669 1.00 0.00 O ATOM 50 CB LEU A 3 8.054 0.614 -6.874 1.00 0.00 C ATOM 51 CG LEU A 3 7.405 0.453 -5.499 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.915 -0.987 -5.329 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.433 0.779 -4.412 1.00 0.00 C ATOM 0 H LEU A 3 8.587 0.176 -9.294 1.00 0.00 H new ATOM 0 HA LEU A 3 6.170 -0.085 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.773 -0.188 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.607 1.552 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 3 6.558 1.133 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.453 -1.101 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.184 -1.216 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.759 -1.671 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.973 0.665 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.280 0.099 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.778 1.806 -4.534 1.00 0.00 H new ATOM 65 N GLU A 4 7.154 2.857 -8.779 1.00 0.00 N ATOM 66 CA GLU A 4 6.669 4.253 -8.965 1.00 0.00 C ATOM 67 C GLU A 4 5.367 4.253 -9.771 1.00 0.00 C ATOM 68 O GLU A 4 4.429 4.945 -9.443 1.00 0.00 O ATOM 69 CB GLU A 4 7.729 5.069 -9.707 1.00 0.00 C ATOM 70 CG GLU A 4 7.238 6.507 -9.886 1.00 0.00 C ATOM 71 CD GLU A 4 7.739 7.055 -11.224 1.00 0.00 C ATOM 72 OE1 GLU A 4 8.141 6.256 -12.055 1.00 0.00 O ATOM 73 OE2 GLU A 4 7.713 8.263 -11.396 1.00 0.00 O ATOM 0 H GLU A 4 8.066 2.654 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 4 6.483 4.698 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.665 5.061 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.933 4.620 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.149 6.537 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.599 7.130 -9.068 1.00 0.00 H new ATOM 80 N LYS A 5 5.295 3.495 -10.826 1.00 0.00 N ATOM 81 CA LYS A 5 4.046 3.482 -11.639 1.00 0.00 C ATOM 82 C LYS A 5 2.924 2.777 -10.870 1.00 0.00 C ATOM 83 O LYS A 5 1.771 3.148 -10.959 1.00 0.00 O ATOM 84 CB LYS A 5 4.300 2.747 -12.959 1.00 0.00 C ATOM 85 CG LYS A 5 4.384 1.239 -12.702 1.00 0.00 C ATOM 86 CD LYS A 5 4.794 0.520 -13.989 1.00 0.00 C ATOM 87 CE LYS A 5 3.798 -0.603 -14.289 1.00 0.00 C ATOM 88 NZ LYS A 5 3.662 -0.767 -15.765 1.00 0.00 N ATOM 0 H LYS A 5 6.041 2.886 -11.161 1.00 0.00 H new ATOM 0 HA LYS A 5 3.746 4.510 -11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.498 2.961 -13.666 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.227 3.101 -13.411 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.108 1.034 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.421 0.865 -12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.822 1.226 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.799 0.110 -13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.139 -1.535 -13.839 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.829 -0.371 -13.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.985 -1.530 -15.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.318 0.121 -16.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.587 -1.007 -16.174 1.00 0.00 H new ATOM 102 N ALA A 6 3.248 1.757 -10.124 1.00 0.00 N ATOM 103 CA ALA A 6 2.197 1.023 -9.363 1.00 0.00 C ATOM 104 C ALA A 6 1.852 1.776 -8.075 1.00 0.00 C ATOM 105 O ALA A 6 0.778 2.325 -7.929 1.00 0.00 O ATOM 106 CB ALA A 6 2.714 -0.373 -9.010 1.00 0.00 C ATOM 0 H ALA A 6 4.196 1.399 -10.008 1.00 0.00 H new ATOM 0 HA ALA A 6 1.301 0.944 -9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.949 -0.914 -8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.949 -0.916 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.613 -0.285 -8.400 1.00 0.00 H new ATOM 112 N MET A 7 2.756 1.790 -7.137 1.00 0.00 N ATOM 113 CA MET A 7 2.500 2.485 -5.845 1.00 0.00 C ATOM 114 C MET A 7 1.891 3.863 -6.099 1.00 0.00 C ATOM 115 O MET A 7 0.876 4.220 -5.532 1.00 0.00 O ATOM 116 CB MET A 7 3.823 2.653 -5.095 1.00 0.00 C ATOM 117 CG MET A 7 3.582 3.448 -3.811 1.00 0.00 C ATOM 118 SD MET A 7 2.201 2.716 -2.898 1.00 0.00 S ATOM 119 CE MET A 7 2.621 3.386 -1.273 1.00 0.00 C ATOM 0 H MET A 7 3.671 1.345 -7.211 1.00 0.00 H new ATOM 0 HA MET A 7 1.804 1.891 -5.252 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.245 1.677 -4.857 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.548 3.169 -5.725 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.481 3.445 -3.195 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.363 4.488 -4.051 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.427 2.634 -0.508 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.676 3.659 -1.254 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.014 4.269 -1.076 1.00 0.00 H new ATOM 129 N VAL A 8 2.507 4.644 -6.938 1.00 0.00 N ATOM 130 CA VAL A 8 1.965 6.006 -7.212 1.00 0.00 C ATOM 131 C VAL A 8 0.564 5.885 -7.812 1.00 0.00 C ATOM 132 O VAL A 8 -0.303 6.696 -7.550 1.00 0.00 O ATOM 133 CB VAL A 8 2.887 6.746 -8.182 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.424 8.197 -8.315 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.318 6.726 -7.639 1.00 0.00 C ATOM 0 H VAL A 8 3.358 4.402 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 8 1.910 6.568 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 8 2.856 6.258 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.080 8.726 -9.006 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.403 8.220 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.459 8.681 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.977 7.253 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.345 7.216 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.653 5.694 -7.534 1.00 0.00 H new ATOM 145 N ALA A 9 0.325 4.874 -8.603 1.00 0.00 N ATOM 146 CA ALA A 9 -1.030 4.706 -9.199 1.00 0.00 C ATOM 147 C ALA A 9 -2.061 4.667 -8.074 1.00 0.00 C ATOM 148 O ALA A 9 -3.141 5.213 -8.188 1.00 0.00 O ATOM 149 CB ALA A 9 -1.084 3.398 -9.991 1.00 0.00 C ATOM 0 H ALA A 9 1.007 4.160 -8.861 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.245 5.538 -9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.076 3.277 -10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.339 3.423 -10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.875 2.561 -9.325 1.00 0.00 H new ATOM 155 N LEU A 10 -1.734 4.032 -6.980 1.00 0.00 N ATOM 156 CA LEU A 10 -2.692 3.970 -5.843 1.00 0.00 C ATOM 157 C LEU A 10 -3.025 5.395 -5.404 1.00 0.00 C ATOM 158 O LEU A 10 -4.176 5.776 -5.313 1.00 0.00 O ATOM 159 CB LEU A 10 -2.058 3.206 -4.678 1.00 0.00 C ATOM 160 CG LEU A 10 -3.067 2.204 -4.114 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.339 1.175 -3.246 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.098 2.950 -3.264 1.00 0.00 C ATOM 0 H LEU A 10 -0.846 3.555 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.602 3.455 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.162 2.685 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.747 3.902 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.569 1.692 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.060 0.462 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.602 0.645 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.836 1.684 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.819 2.239 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.593 3.460 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.617 3.682 -3.882 1.00 0.00 H new ATOM 174 N ILE A 11 -2.024 6.193 -5.142 1.00 0.00 N ATOM 175 CA ILE A 11 -2.282 7.600 -4.725 1.00 0.00 C ATOM 176 C ILE A 11 -3.281 8.224 -5.703 1.00 0.00 C ATOM 177 O ILE A 11 -4.138 8.999 -5.326 1.00 0.00 O ATOM 178 CB ILE A 11 -0.956 8.378 -4.740 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.215 8.132 -3.424 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.206 9.885 -4.899 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.765 6.969 -3.594 1.00 0.00 C ATOM 0 H ILE A 11 -1.040 5.931 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.698 7.633 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.360 8.032 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.322 9.032 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.928 7.907 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.253 10.413 -4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.731 10.070 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.812 10.243 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.291 6.796 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.217 6.069 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.486 7.212 -4.375 1.00 0.00 H new ATOM 193 N ASP A 12 -3.177 7.888 -6.958 1.00 0.00 N ATOM 194 CA ASP A 12 -4.117 8.453 -7.965 1.00 0.00 C ATOM 195 C ASP A 12 -5.557 8.161 -7.540 1.00 0.00 C ATOM 196 O ASP A 12 -6.393 9.042 -7.496 1.00 0.00 O ATOM 197 CB ASP A 12 -3.844 7.803 -9.322 1.00 0.00 C ATOM 198 CG ASP A 12 -4.439 8.669 -10.434 1.00 0.00 C ATOM 199 OD1 ASP A 12 -3.749 9.564 -10.896 1.00 0.00 O ATOM 200 OD2 ASP A 12 -5.573 8.423 -10.807 1.00 0.00 O ATOM 0 H ASP A 12 -2.479 7.244 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.974 9.531 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.771 7.687 -9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.279 6.804 -9.352 1.00 0.00 H new ATOM 205 N VAL A 13 -5.852 6.927 -7.232 1.00 0.00 N ATOM 206 CA VAL A 13 -7.239 6.570 -6.813 1.00 0.00 C ATOM 207 C VAL A 13 -7.721 7.534 -5.725 1.00 0.00 C ATOM 208 O VAL A 13 -8.880 7.895 -5.675 1.00 0.00 O ATOM 209 CB VAL A 13 -7.256 5.139 -6.266 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.590 4.874 -5.567 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.085 4.151 -7.420 1.00 0.00 C ATOM 0 H VAL A 13 -5.192 6.149 -7.252 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.901 6.642 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.441 5.014 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.601 3.856 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.716 5.578 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.405 4.999 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.097 3.133 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.901 4.278 -8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.135 4.337 -7.921 1.00 0.00 H new ATOM 221 N PHE A 14 -6.847 7.943 -4.847 1.00 0.00 N ATOM 222 CA PHE A 14 -7.264 8.875 -3.760 1.00 0.00 C ATOM 223 C PHE A 14 -7.848 10.152 -4.372 1.00 0.00 C ATOM 224 O PHE A 14 -8.870 10.646 -3.938 1.00 0.00 O ATOM 225 CB PHE A 14 -6.048 9.227 -2.900 1.00 0.00 C ATOM 226 CG PHE A 14 -6.488 9.491 -1.479 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.192 10.661 -1.167 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.186 8.565 -0.471 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.594 10.905 0.152 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.588 8.810 0.847 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.292 9.980 1.158 1.00 0.00 C ATOM 0 H PHE A 14 -5.863 7.673 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.022 8.395 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.327 8.410 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.546 10.106 -3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.425 11.375 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.643 7.663 -0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.137 11.807 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.355 8.097 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.602 10.169 2.175 1.00 0.00 H new ATOM 241 N HIS A 15 -7.211 10.691 -5.375 1.00 0.00 N ATOM 242 CA HIS A 15 -7.737 11.935 -6.010 1.00 0.00 C ATOM 243 C HIS A 15 -8.860 11.577 -6.985 1.00 0.00 C ATOM 244 O HIS A 15 -9.530 12.439 -7.520 1.00 0.00 O ATOM 245 CB HIS A 15 -6.612 12.640 -6.769 1.00 0.00 C ATOM 246 CG HIS A 15 -6.809 14.129 -6.686 1.00 0.00 C ATOM 247 ND1 HIS A 15 -5.791 15.027 -6.965 1.00 0.00 N ATOM 248 CD2 HIS A 15 -7.902 14.892 -6.356 1.00 0.00 C ATOM 249 CE1 HIS A 15 -6.286 16.267 -6.797 1.00 0.00 C ATOM 250 NE2 HIS A 15 -7.569 16.243 -6.427 1.00 0.00 N ATOM 0 H HIS A 15 -6.350 10.325 -5.783 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.124 12.598 -5.236 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.646 12.366 -6.346 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.606 12.321 -7.811 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.872 14.504 -6.083 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.715 17.172 -6.944 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.175 17.042 -6.237 1.00 0.00 H new ATOM 258 N GLN A 16 -9.071 10.312 -7.222 1.00 0.00 N ATOM 259 CA GLN A 16 -10.149 9.898 -8.161 1.00 0.00 C ATOM 260 C GLN A 16 -11.486 9.865 -7.419 1.00 0.00 C ATOM 261 O GLN A 16 -12.537 10.026 -8.005 1.00 0.00 O ATOM 262 CB GLN A 16 -9.836 8.504 -8.709 1.00 0.00 C ATOM 263 CG GLN A 16 -9.379 8.618 -10.164 1.00 0.00 C ATOM 264 CD GLN A 16 -10.573 8.981 -11.048 1.00 0.00 C ATOM 265 OE1 GLN A 16 -11.322 9.886 -10.736 1.00 0.00 O ATOM 266 NE2 GLN A 16 -10.784 8.309 -12.146 1.00 0.00 N ATOM 0 H GLN A 16 -8.542 9.546 -6.805 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.208 10.609 -8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.058 8.032 -8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.719 7.869 -8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.603 9.378 -10.254 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.942 7.675 -10.494 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.155 7.550 -12.408 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.577 8.543 -12.743 1.00 0.00 H new ATOM 275 N TYR A 17 -11.453 9.656 -6.131 1.00 0.00 N ATOM 276 CA TYR A 17 -12.720 9.612 -5.349 1.00 0.00 C ATOM 277 C TYR A 17 -12.850 10.889 -4.517 1.00 0.00 C ATOM 278 O TYR A 17 -13.848 11.580 -4.573 1.00 0.00 O ATOM 279 CB TYR A 17 -12.703 8.395 -4.421 1.00 0.00 C ATOM 280 CG TYR A 17 -12.919 7.140 -5.234 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.882 6.632 -6.023 1.00 0.00 C ATOM 282 CD2 TYR A 17 -14.156 6.487 -5.198 1.00 0.00 C ATOM 283 CE1 TYR A 17 -12.081 5.469 -6.779 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.355 5.325 -5.952 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.319 4.816 -6.744 1.00 0.00 C ATOM 286 OH TYR A 17 -13.516 3.670 -7.487 1.00 0.00 O ATOM 0 H TYR A 17 -10.602 9.514 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.567 9.537 -6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.751 8.340 -3.893 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.482 8.490 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.927 7.136 -6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.957 6.880 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.280 5.077 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.309 4.820 -5.923 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.429 3.343 -7.348 1.00 0.00 H new ATOM 296 N SER A 18 -11.849 11.208 -3.743 1.00 0.00 N ATOM 297 CA SER A 18 -11.916 12.441 -2.909 1.00 0.00 C ATOM 298 C SER A 18 -12.373 13.616 -3.773 1.00 0.00 C ATOM 299 O SER A 18 -13.355 14.270 -3.483 1.00 0.00 O ATOM 300 CB SER A 18 -10.532 12.742 -2.333 1.00 0.00 C ATOM 301 OG SER A 18 -10.658 13.075 -0.957 1.00 0.00 O ATOM 0 H SER A 18 -10.988 10.668 -3.652 1.00 0.00 H new ATOM 0 HA SER A 18 -12.625 12.291 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.880 11.876 -2.451 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.070 13.566 -2.877 1.00 0.00 H new ATOM 0 HG SER A 18 -11.104 12.342 -0.483 1.00 0.00 H new ATOM 394 N HIS A 25 -9.344 16.146 0.339 1.00 0.00 N ATOM 395 CA HIS A 25 -8.176 15.221 0.300 1.00 0.00 C ATOM 396 C HIS A 25 -8.311 14.182 1.418 1.00 0.00 C ATOM 397 O HIS A 25 -7.339 13.762 2.011 1.00 0.00 O ATOM 398 CB HIS A 25 -6.889 16.024 0.498 1.00 0.00 C ATOM 399 CG HIS A 25 -6.980 17.310 -0.279 1.00 0.00 C ATOM 400 ND1 HIS A 25 -7.082 17.331 -1.662 1.00 0.00 N ATOM 401 CD2 HIS A 25 -6.987 18.625 0.116 1.00 0.00 C ATOM 402 CE1 HIS A 25 -7.146 18.620 -2.045 1.00 0.00 C ATOM 403 NE2 HIS A 25 -7.091 19.451 -1.000 1.00 0.00 N ATOM 0 HA HIS A 25 -8.143 14.712 -0.663 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.738 16.235 1.557 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -6.029 15.443 0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -6.922 18.967 1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.231 18.943 -3.072 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -7.119 20.470 -1.016 1.00 0.00 H new ATOM 411 N LYS A 26 -9.513 13.765 1.708 1.00 0.00 N ATOM 412 CA LYS A 26 -9.722 12.752 2.786 1.00 0.00 C ATOM 413 C LYS A 26 -10.747 11.720 2.312 1.00 0.00 C ATOM 414 O LYS A 26 -11.673 12.038 1.593 1.00 0.00 O ATOM 415 CB LYS A 26 -10.241 13.450 4.046 1.00 0.00 C ATOM 416 CG LYS A 26 -9.521 14.790 4.222 1.00 0.00 C ATOM 417 CD LYS A 26 -9.183 15.002 5.699 1.00 0.00 C ATOM 418 CE LYS A 26 -8.537 16.377 5.883 1.00 0.00 C ATOM 419 NZ LYS A 26 -7.089 16.208 6.186 1.00 0.00 N ATOM 0 H LYS A 26 -10.364 14.083 1.244 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.779 12.254 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.316 13.610 3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.075 12.819 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.610 14.806 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.152 15.603 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.087 14.929 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.505 14.221 6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.663 16.974 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.029 16.916 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.649 17.142 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.979 15.654 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.626 15.710 5.399 1.00 0.00 H new ATOM 433 N LEU A 27 -10.591 10.484 2.706 1.00 0.00 N ATOM 434 CA LEU A 27 -11.560 9.436 2.274 1.00 0.00 C ATOM 435 C LEU A 27 -12.287 8.896 3.504 1.00 0.00 C ATOM 436 O LEU A 27 -11.690 8.659 4.528 1.00 0.00 O ATOM 437 CB LEU A 27 -10.809 8.295 1.584 1.00 0.00 C ATOM 438 CG LEU A 27 -11.356 8.107 0.167 1.00 0.00 C ATOM 439 CD1 LEU A 27 -10.534 8.940 -0.817 1.00 0.00 C ATOM 440 CD2 LEU A 27 -11.268 6.629 -0.220 1.00 0.00 C ATOM 0 H LEU A 27 -9.835 10.156 3.307 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.279 9.865 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.743 8.517 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.923 7.373 2.154 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.396 8.432 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.926 8.804 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.596 9.993 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.493 8.618 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.657 6.493 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.228 6.305 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.856 6.034 0.479 1.00 0.00 H new ATOM 452 N LYS A 28 -13.572 8.704 3.417 1.00 0.00 N ATOM 453 CA LYS A 28 -14.325 8.192 4.598 1.00 0.00 C ATOM 454 C LYS A 28 -14.328 6.663 4.594 1.00 0.00 C ATOM 455 O LYS A 28 -13.856 6.032 3.669 1.00 0.00 O ATOM 456 CB LYS A 28 -15.760 8.704 4.525 1.00 0.00 C ATOM 457 CG LYS A 28 -15.949 9.863 5.503 1.00 0.00 C ATOM 458 CD LYS A 28 -16.663 11.017 4.796 1.00 0.00 C ATOM 459 CE LYS A 28 -18.096 11.127 5.318 1.00 0.00 C ATOM 460 NZ LYS A 28 -18.964 11.724 4.263 1.00 0.00 N ATOM 0 H LYS A 28 -14.134 8.878 2.583 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.849 8.541 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.987 9.032 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.455 7.899 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.531 9.535 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.982 10.196 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.128 11.951 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.669 10.850 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.470 10.142 5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.121 11.744 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.939 11.799 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.611 12.671 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.949 11.119 3.417 1.00 0.00 H new ATOM 474 N LYS A 29 -14.850 6.063 5.629 1.00 0.00 N ATOM 475 CA LYS A 29 -14.877 4.573 5.693 1.00 0.00 C ATOM 476 C LYS A 29 -15.980 4.037 4.780 1.00 0.00 C ATOM 477 O LYS A 29 -16.002 2.871 4.441 1.00 0.00 O ATOM 478 CB LYS A 29 -15.126 4.112 7.135 1.00 0.00 C ATOM 479 CG LYS A 29 -16.153 5.024 7.809 1.00 0.00 C ATOM 480 CD LYS A 29 -16.624 4.378 9.114 1.00 0.00 C ATOM 481 CE LYS A 29 -15.505 4.450 10.155 1.00 0.00 C ATOM 482 NZ LYS A 29 -15.708 3.385 11.179 1.00 0.00 N ATOM 0 H LYS A 29 -15.259 6.539 6.433 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.914 4.186 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.484 3.083 7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.192 4.127 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.712 6.000 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.001 5.189 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.513 4.889 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.904 3.339 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.536 4.325 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.499 5.431 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.067 3.812 12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.396 2.690 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.803 2.910 11.370 1.00 0.00 H new ATOM 496 N SER A 30 -16.890 4.875 4.366 1.00 0.00 N ATOM 497 CA SER A 30 -17.973 4.399 3.460 1.00 0.00 C ATOM 498 C SER A 30 -17.426 4.342 2.036 1.00 0.00 C ATOM 499 O SER A 30 -17.633 3.384 1.318 1.00 0.00 O ATOM 500 CB SER A 30 -19.159 5.363 3.522 1.00 0.00 C ATOM 501 OG SER A 30 -20.289 4.681 4.050 1.00 0.00 O ATOM 0 H SER A 30 -16.931 5.864 4.614 1.00 0.00 H new ATOM 0 HA SER A 30 -18.309 3.409 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.913 6.222 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.383 5.747 2.527 1.00 0.00 H new ATOM 0 HG SER A 30 -20.356 4.855 5.012 1.00 0.00 H new ATOM 507 N GLU A 31 -16.706 5.353 1.629 1.00 0.00 N ATOM 508 CA GLU A 31 -16.122 5.345 0.261 1.00 0.00 C ATOM 509 C GLU A 31 -14.856 4.492 0.290 1.00 0.00 C ATOM 510 O GLU A 31 -14.369 4.049 -0.729 1.00 0.00 O ATOM 511 CB GLU A 31 -15.778 6.775 -0.163 1.00 0.00 C ATOM 512 CG GLU A 31 -15.220 6.765 -1.587 1.00 0.00 C ATOM 513 CD GLU A 31 -15.761 7.974 -2.355 1.00 0.00 C ATOM 514 OE1 GLU A 31 -15.253 9.062 -2.143 1.00 0.00 O ATOM 515 OE2 GLU A 31 -16.675 7.789 -3.142 1.00 0.00 O ATOM 0 H GLU A 31 -16.498 6.182 2.186 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.836 4.934 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.667 7.404 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.047 7.203 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.131 6.794 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.503 5.842 -2.094 1.00 0.00 H new ATOM 522 N LEU A 32 -14.333 4.242 1.462 1.00 0.00 N ATOM 523 CA LEU A 32 -13.117 3.394 1.573 1.00 0.00 C ATOM 524 C LEU A 32 -13.558 1.935 1.481 1.00 0.00 C ATOM 525 O LEU A 32 -12.945 1.122 0.818 1.00 0.00 O ATOM 526 CB LEU A 32 -12.436 3.642 2.922 1.00 0.00 C ATOM 527 CG LEU A 32 -11.426 2.524 3.197 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.395 2.489 2.070 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.721 2.788 4.530 1.00 0.00 C ATOM 0 H LEU A 32 -14.699 4.591 2.348 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.411 3.632 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.932 4.608 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.181 3.677 3.717 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.944 1.566 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.674 1.695 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.899 2.301 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.876 3.446 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.002 1.992 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.200 3.744 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.458 2.816 5.332 1.00 0.00 H new ATOM 541 N LYS A 33 -14.640 1.609 2.135 1.00 0.00 N ATOM 542 CA LYS A 33 -15.159 0.217 2.086 1.00 0.00 C ATOM 543 C LYS A 33 -15.458 -0.136 0.636 1.00 0.00 C ATOM 544 O LYS A 33 -15.136 -1.205 0.157 1.00 0.00 O ATOM 545 CB LYS A 33 -16.450 0.145 2.902 1.00 0.00 C ATOM 546 CG LYS A 33 -16.765 -1.314 3.232 1.00 0.00 C ATOM 547 CD LYS A 33 -18.270 -1.477 3.439 1.00 0.00 C ATOM 548 CE LYS A 33 -18.615 -2.965 3.509 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.816 -3.233 2.670 1.00 0.00 N ATOM 0 H LYS A 33 -15.189 2.254 2.704 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.427 -0.479 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.344 0.722 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.273 0.588 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.426 -1.962 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.229 -1.619 4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.578 -0.977 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.814 -1.004 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.773 -3.562 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.806 -3.257 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.053 -4.245 2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.618 -2.673 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.617 -2.969 1.684 1.00 0.00 H new ATOM 563 N GLU A 34 -16.068 0.774 -0.067 1.00 0.00 N ATOM 564 CA GLU A 34 -16.394 0.532 -1.495 1.00 0.00 C ATOM 565 C GLU A 34 -15.102 0.576 -2.301 1.00 0.00 C ATOM 566 O GLU A 34 -14.911 -0.159 -3.243 1.00 0.00 O ATOM 567 CB GLU A 34 -17.361 1.626 -1.973 1.00 0.00 C ATOM 568 CG GLU A 34 -16.595 2.900 -2.350 1.00 0.00 C ATOM 569 CD GLU A 34 -17.540 3.871 -3.064 1.00 0.00 C ATOM 570 OE1 GLU A 34 -18.739 3.729 -2.896 1.00 0.00 O ATOM 571 OE2 GLU A 34 -17.047 4.738 -3.767 1.00 0.00 O ATOM 0 H GLU A 34 -16.357 1.684 0.292 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.866 -0.442 -1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.927 1.268 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -18.083 1.849 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.183 3.368 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.753 2.653 -2.997 1.00 0.00 H new ATOM 578 N LEU A 35 -14.217 1.446 -1.924 1.00 0.00 N ATOM 579 CA LEU A 35 -12.919 1.566 -2.645 1.00 0.00 C ATOM 580 C LEU A 35 -12.274 0.182 -2.771 1.00 0.00 C ATOM 581 O LEU A 35 -11.736 -0.171 -3.802 1.00 0.00 O ATOM 582 CB LEU A 35 -11.990 2.490 -1.852 1.00 0.00 C ATOM 583 CG LEU A 35 -11.298 3.462 -2.808 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.554 2.673 -3.884 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.348 4.359 -3.467 1.00 0.00 C ATOM 0 H LEU A 35 -14.334 2.088 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.088 1.978 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.560 3.042 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.247 1.901 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.589 4.077 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.060 3.365 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.808 2.032 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.262 2.059 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.857 5.053 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.055 3.743 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.880 4.920 -2.699 1.00 0.00 H new ATOM 597 N ILE A 36 -12.314 -0.601 -1.726 1.00 0.00 N ATOM 598 CA ILE A 36 -11.694 -1.957 -1.776 1.00 0.00 C ATOM 599 C ILE A 36 -12.646 -2.954 -2.449 1.00 0.00 C ATOM 600 O ILE A 36 -12.301 -3.602 -3.417 1.00 0.00 O ATOM 601 CB ILE A 36 -11.389 -2.438 -0.352 1.00 0.00 C ATOM 602 CG1 ILE A 36 -11.221 -1.229 0.583 1.00 0.00 C ATOM 603 CG2 ILE A 36 -10.102 -3.267 -0.363 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.485 -1.647 1.859 1.00 0.00 C ATOM 0 H ILE A 36 -12.751 -0.359 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.771 -1.897 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.215 -3.052 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.665 -0.441 0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.198 -0.817 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.882 -3.611 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.229 -4.128 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.277 -2.653 -0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.372 -0.783 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.058 -2.419 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.501 -2.037 1.600 1.00 0.00 H new ATOM 616 N ASN A 37 -13.833 -3.098 -1.925 1.00 0.00 N ATOM 617 CA ASN A 37 -14.808 -4.070 -2.507 1.00 0.00 C ATOM 618 C ASN A 37 -15.287 -3.613 -3.891 1.00 0.00 C ATOM 619 O ASN A 37 -16.077 -4.280 -4.528 1.00 0.00 O ATOM 620 CB ASN A 37 -16.015 -4.178 -1.578 1.00 0.00 C ATOM 621 CG ASN A 37 -16.671 -5.550 -1.744 1.00 0.00 C ATOM 622 OD1 ASN A 37 -16.323 -6.301 -2.634 1.00 0.00 O ATOM 623 ND2 ASN A 37 -17.614 -5.911 -0.919 1.00 0.00 N ATOM 0 H ASN A 37 -14.173 -2.582 -1.114 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.313 -5.035 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.704 -4.036 -0.543 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.733 -3.391 -1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.059 -6.823 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.907 -5.281 -0.172 1.00 0.00 H new ATOM 630 N ASN A 38 -14.828 -2.489 -4.366 1.00 0.00 N ATOM 631 CA ASN A 38 -15.277 -2.015 -5.709 1.00 0.00 C ATOM 632 C ASN A 38 -14.110 -2.094 -6.696 1.00 0.00 C ATOM 633 O ASN A 38 -14.037 -2.993 -7.510 1.00 0.00 O ATOM 634 CB ASN A 38 -15.774 -0.570 -5.611 1.00 0.00 C ATOM 635 CG ASN A 38 -16.425 -0.159 -6.934 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.634 -0.119 -7.044 1.00 0.00 O ATOM 637 ND2 ASN A 38 -15.668 0.150 -7.950 1.00 0.00 N ATOM 0 H ASN A 38 -14.165 -1.880 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.091 -2.649 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.492 -0.476 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.943 0.096 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.091 0.425 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.653 0.117 -7.858 1.00 0.00 H new ATOM 644 N GLU A 39 -13.194 -1.166 -6.630 1.00 0.00 N ATOM 645 CA GLU A 39 -12.039 -1.205 -7.568 1.00 0.00 C ATOM 646 C GLU A 39 -11.428 -2.608 -7.544 1.00 0.00 C ATOM 647 O GLU A 39 -11.207 -3.217 -8.572 1.00 0.00 O ATOM 648 CB GLU A 39 -10.995 -0.174 -7.134 1.00 0.00 C ATOM 649 CG GLU A 39 -11.641 1.212 -7.074 1.00 0.00 C ATOM 650 CD GLU A 39 -10.958 2.139 -8.081 1.00 0.00 C ATOM 651 OE1 GLU A 39 -9.986 2.774 -7.706 1.00 0.00 O ATOM 652 OE2 GLU A 39 -11.417 2.199 -9.210 1.00 0.00 O ATOM 0 H GLU A 39 -13.196 -0.388 -5.971 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.371 -0.969 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.589 -0.440 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.161 -0.168 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.706 1.138 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.553 1.623 -6.068 1.00 0.00 H new ATOM 659 N LEU A 40 -11.164 -3.134 -6.377 1.00 0.00 N ATOM 660 CA LEU A 40 -10.581 -4.501 -6.288 1.00 0.00 C ATOM 661 C LEU A 40 -11.726 -5.524 -6.244 1.00 0.00 C ATOM 662 O LEU A 40 -12.347 -5.803 -7.250 1.00 0.00 O ATOM 663 CB LEU A 40 -9.727 -4.608 -5.023 1.00 0.00 C ATOM 664 CG LEU A 40 -8.298 -4.158 -5.329 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.520 -3.995 -4.020 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.612 -5.210 -6.202 1.00 0.00 C ATOM 0 H LEU A 40 -11.328 -2.674 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.950 -4.700 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.152 -3.990 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.725 -5.635 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.322 -3.204 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.502 -3.674 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.010 -3.247 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.494 -4.948 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.593 -4.892 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.589 -6.163 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.165 -5.326 -7.134 1.00 0.00 H new ATOM 678 N SER A 41 -12.021 -6.072 -5.087 1.00 0.00 N ATOM 679 CA SER A 41 -13.135 -7.061 -4.978 1.00 0.00 C ATOM 680 C SER A 41 -12.667 -8.456 -5.421 1.00 0.00 C ATOM 681 O SER A 41 -12.996 -9.452 -4.806 1.00 0.00 O ATOM 682 CB SER A 41 -14.308 -6.606 -5.851 1.00 0.00 C ATOM 683 OG SER A 41 -14.387 -7.427 -7.010 1.00 0.00 O ATOM 0 H SER A 41 -11.535 -5.874 -4.213 1.00 0.00 H new ATOM 0 HA SER A 41 -13.453 -7.118 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.239 -6.665 -5.287 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.176 -5.563 -6.140 1.00 0.00 H new ATOM 0 HG SER A 41 -13.692 -7.161 -7.647 1.00 0.00 H new ATOM 689 N HIS A 42 -11.911 -8.541 -6.482 1.00 0.00 N ATOM 690 CA HIS A 42 -11.440 -9.873 -6.956 1.00 0.00 C ATOM 691 C HIS A 42 -10.461 -10.471 -5.942 1.00 0.00 C ATOM 692 O HIS A 42 -10.151 -11.647 -5.983 1.00 0.00 O ATOM 693 CB HIS A 42 -10.739 -9.708 -8.306 1.00 0.00 C ATOM 694 CG HIS A 42 -11.768 -9.488 -9.383 1.00 0.00 C ATOM 695 ND1 HIS A 42 -12.530 -10.525 -9.898 1.00 0.00 N ATOM 696 CD2 HIS A 42 -12.172 -8.356 -10.050 1.00 0.00 C ATOM 697 CE1 HIS A 42 -13.347 -10.000 -10.830 1.00 0.00 C ATOM 698 NE2 HIS A 42 -13.169 -8.683 -10.963 1.00 0.00 N ATOM 0 H HIS A 42 -11.600 -7.746 -7.040 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.294 -10.541 -7.063 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -10.050 -8.864 -8.269 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -10.146 -10.595 -8.531 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.776 -7.364 -9.890 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.061 -10.575 -11.402 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -13.659 -8.053 -11.598 1.00 0.00 H new ATOM 706 N PHE A 43 -9.965 -9.674 -5.035 1.00 0.00 N ATOM 707 CA PHE A 43 -9.003 -10.204 -4.027 1.00 0.00 C ATOM 708 C PHE A 43 -9.675 -10.283 -2.654 1.00 0.00 C ATOM 709 O PHE A 43 -9.115 -9.882 -1.653 1.00 0.00 O ATOM 710 CB PHE A 43 -7.789 -9.277 -3.948 1.00 0.00 C ATOM 711 CG PHE A 43 -6.849 -9.589 -5.086 1.00 0.00 C ATOM 712 CD1 PHE A 43 -7.153 -9.159 -6.384 1.00 0.00 C ATOM 713 CD2 PHE A 43 -5.675 -10.312 -4.844 1.00 0.00 C ATOM 714 CE1 PHE A 43 -6.283 -9.452 -7.440 1.00 0.00 C ATOM 715 CE2 PHE A 43 -4.805 -10.605 -5.900 1.00 0.00 C ATOM 716 CZ PHE A 43 -5.108 -10.175 -7.198 1.00 0.00 C ATOM 0 H PHE A 43 -10.184 -8.681 -4.948 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.684 -11.203 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.108 -8.236 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.279 -9.407 -2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.059 -8.601 -6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.441 -10.643 -3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.517 -9.121 -8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.899 -11.163 -5.714 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.436 -10.401 -8.012 1.00 0.00 H new ATOM 726 N LEU A 44 -10.872 -10.795 -2.598 1.00 0.00 N ATOM 727 CA LEU A 44 -11.579 -10.900 -1.291 1.00 0.00 C ATOM 728 C LEU A 44 -12.058 -12.341 -1.082 1.00 0.00 C ATOM 729 O LEU A 44 -12.559 -12.696 -0.035 1.00 0.00 O ATOM 730 CB LEU A 44 -12.780 -9.942 -1.294 1.00 0.00 C ATOM 731 CG LEU A 44 -13.407 -9.839 0.106 1.00 0.00 C ATOM 732 CD1 LEU A 44 -14.405 -10.980 0.308 1.00 0.00 C ATOM 733 CD2 LEU A 44 -12.321 -9.913 1.186 1.00 0.00 C ATOM 0 H LEU A 44 -11.392 -11.146 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.902 -10.631 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.461 -8.954 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.527 -10.292 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.922 -8.882 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.848 -10.905 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.190 -10.914 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.889 -11.936 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.782 -9.839 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.791 -10.862 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.618 -9.091 1.052 1.00 0.00 H new ATOM 745 N GLU A 45 -11.905 -13.178 -2.071 1.00 0.00 N ATOM 746 CA GLU A 45 -12.356 -14.592 -1.928 1.00 0.00 C ATOM 747 C GLU A 45 -11.145 -15.502 -1.712 1.00 0.00 C ATOM 748 O GLU A 45 -11.220 -16.703 -1.878 1.00 0.00 O ATOM 749 CB GLU A 45 -13.096 -15.021 -3.197 1.00 0.00 C ATOM 750 CG GLU A 45 -12.154 -14.919 -4.398 1.00 0.00 C ATOM 751 CD GLU A 45 -12.940 -15.166 -5.686 1.00 0.00 C ATOM 752 OE1 GLU A 45 -14.153 -15.039 -5.651 1.00 0.00 O ATOM 753 OE2 GLU A 45 -12.316 -15.479 -6.687 1.00 0.00 O ATOM 0 H GLU A 45 -11.487 -12.944 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.024 -14.672 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.458 -16.044 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.970 -14.388 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.689 -13.933 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.349 -15.648 -4.305 1.00 0.00 H new ATOM 760 N GLU A 46 -10.029 -14.942 -1.339 1.00 0.00 N ATOM 761 CA GLU A 46 -8.818 -15.778 -1.108 1.00 0.00 C ATOM 762 C GLU A 46 -7.944 -15.121 -0.040 1.00 0.00 C ATOM 763 O GLU A 46 -7.006 -14.413 -0.342 1.00 0.00 O ATOM 764 CB GLU A 46 -8.026 -15.903 -2.411 1.00 0.00 C ATOM 765 CG GLU A 46 -7.631 -14.509 -2.908 1.00 0.00 C ATOM 766 CD GLU A 46 -8.398 -14.188 -4.192 1.00 0.00 C ATOM 767 OE1 GLU A 46 -9.605 -14.040 -4.115 1.00 0.00 O ATOM 768 OE2 GLU A 46 -7.764 -14.097 -5.230 1.00 0.00 O ATOM 0 H GLU A 46 -9.903 -13.942 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.120 -16.770 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.134 -16.509 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.625 -16.413 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.851 -13.763 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.558 -14.468 -3.093 1.00 0.00 H new ATOM 775 N ILE A 47 -8.248 -15.350 1.208 1.00 0.00 N ATOM 776 CA ILE A 47 -7.438 -14.738 2.297 1.00 0.00 C ATOM 777 C ILE A 47 -7.487 -15.639 3.535 1.00 0.00 C ATOM 778 O ILE A 47 -8.522 -16.167 3.890 1.00 0.00 O ATOM 779 CB ILE A 47 -8.010 -13.353 2.633 1.00 0.00 C ATOM 780 CG1 ILE A 47 -7.545 -12.341 1.584 1.00 0.00 C ATOM 781 CG2 ILE A 47 -7.520 -12.905 4.013 1.00 0.00 C ATOM 782 CD1 ILE A 47 -8.633 -12.172 0.522 1.00 0.00 C ATOM 0 H ILE A 47 -9.023 -15.935 1.520 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.402 -14.632 1.974 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.099 -13.410 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.332 -11.383 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.619 -12.681 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.930 -11.922 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.849 -13.621 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.431 -12.853 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.303 -11.451 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.825 -13.131 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.548 -11.813 0.993 1.00 0.00 H new ATOM 794 N LYS A 48 -6.376 -15.812 4.200 1.00 0.00 N ATOM 795 CA LYS A 48 -6.362 -16.671 5.417 1.00 0.00 C ATOM 796 C LYS A 48 -6.435 -15.776 6.652 1.00 0.00 C ATOM 797 O LYS A 48 -6.818 -16.205 7.722 1.00 0.00 O ATOM 798 CB LYS A 48 -5.072 -17.495 5.458 1.00 0.00 C ATOM 799 CG LYS A 48 -5.212 -18.615 6.491 1.00 0.00 C ATOM 800 CD LYS A 48 -4.271 -19.765 6.129 1.00 0.00 C ATOM 801 CE LYS A 48 -2.872 -19.468 6.668 1.00 0.00 C ATOM 802 NZ LYS A 48 -1.863 -19.749 5.609 1.00 0.00 N ATOM 0 H LYS A 48 -5.479 -15.395 3.952 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.215 -17.349 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.867 -17.917 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.227 -16.855 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.976 -18.238 7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.242 -18.970 6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.643 -20.699 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.236 -19.893 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.805 -18.426 6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.672 -20.080 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.911 -19.547 5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.922 -20.749 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.051 -19.147 4.782 1.00 0.00 H new ATOM 816 N GLU A 49 -6.075 -14.530 6.511 1.00 0.00 N ATOM 817 CA GLU A 49 -6.130 -13.604 7.674 1.00 0.00 C ATOM 818 C GLU A 49 -7.545 -13.047 7.801 1.00 0.00 C ATOM 819 O GLU A 49 -7.785 -11.878 7.569 1.00 0.00 O ATOM 820 CB GLU A 49 -5.150 -12.447 7.466 1.00 0.00 C ATOM 821 CG GLU A 49 -3.837 -12.753 8.189 1.00 0.00 C ATOM 822 CD GLU A 49 -4.027 -12.557 9.694 1.00 0.00 C ATOM 823 OE1 GLU A 49 -5.152 -12.318 10.102 1.00 0.00 O ATOM 824 OE2 GLU A 49 -3.047 -12.646 10.412 1.00 0.00 O ATOM 0 H GLU A 49 -5.745 -14.114 5.640 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.859 -14.145 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.966 -12.300 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.579 -11.520 7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.525 -13.776 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.046 -12.098 7.823 1.00 0.00 H new ATOM 831 N GLN A 50 -8.487 -13.871 8.165 1.00 0.00 N ATOM 832 CA GLN A 50 -9.883 -13.379 8.304 1.00 0.00 C ATOM 833 C GLN A 50 -9.898 -12.165 9.230 1.00 0.00 C ATOM 834 O GLN A 50 -10.804 -11.361 9.197 1.00 0.00 O ATOM 835 CB GLN A 50 -10.761 -14.484 8.897 1.00 0.00 C ATOM 836 CG GLN A 50 -12.149 -13.920 9.206 1.00 0.00 C ATOM 837 CD GLN A 50 -13.129 -15.072 9.430 1.00 0.00 C ATOM 838 OE1 GLN A 50 -12.800 -16.050 10.073 1.00 0.00 O ATOM 839 NE2 GLN A 50 -14.329 -15.000 8.921 1.00 0.00 N ATOM 0 H GLN A 50 -8.350 -14.860 8.371 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.270 -13.099 7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.842 -15.315 8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.306 -14.877 9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.107 -13.287 10.092 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.490 -13.293 8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.606 -14.180 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.990 -15.764 9.063 1.00 0.00 H new ATOM 848 N GLU A 51 -8.904 -12.025 10.061 1.00 0.00 N ATOM 849 CA GLU A 51 -8.872 -10.862 10.991 1.00 0.00 C ATOM 850 C GLU A 51 -8.371 -9.616 10.256 1.00 0.00 C ATOM 851 O GLU A 51 -8.804 -8.516 10.524 1.00 0.00 O ATOM 852 CB GLU A 51 -7.939 -11.172 12.162 1.00 0.00 C ATOM 853 CG GLU A 51 -8.738 -11.193 13.466 1.00 0.00 C ATOM 854 CD GLU A 51 -7.812 -11.560 14.628 1.00 0.00 C ATOM 855 OE1 GLU A 51 -6.615 -11.378 14.484 1.00 0.00 O ATOM 856 OE2 GLU A 51 -8.316 -12.017 15.640 1.00 0.00 O ATOM 0 H GLU A 51 -8.113 -12.665 10.137 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.879 -10.675 11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.452 -12.135 12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.150 -10.422 12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.191 -10.218 13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.552 -11.914 13.394 1.00 0.00 H new ATOM 863 N VAL A 52 -7.460 -9.773 9.336 1.00 0.00 N ATOM 864 CA VAL A 52 -6.941 -8.585 8.600 1.00 0.00 C ATOM 865 C VAL A 52 -8.034 -8.025 7.689 1.00 0.00 C ATOM 866 O VAL A 52 -8.289 -6.837 7.670 1.00 0.00 O ATOM 867 CB VAL A 52 -5.728 -8.991 7.760 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.165 -7.770 7.032 1.00 0.00 C ATOM 869 CG2 VAL A 52 -4.650 -9.568 8.673 1.00 0.00 C ATOM 0 H VAL A 52 -7.054 -10.668 9.063 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.644 -7.819 9.316 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.035 -9.738 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.302 -8.067 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.930 -7.351 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.861 -7.019 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.785 -9.858 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.351 -8.816 9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.042 -10.443 9.192 1.00 0.00 H new ATOM 879 N VAL A 53 -8.682 -8.865 6.933 1.00 0.00 N ATOM 880 CA VAL A 53 -9.755 -8.365 6.030 1.00 0.00 C ATOM 881 C VAL A 53 -11.013 -8.077 6.844 1.00 0.00 C ATOM 882 O VAL A 53 -11.754 -7.160 6.552 1.00 0.00 O ATOM 883 CB VAL A 53 -10.066 -9.416 4.963 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.359 -9.038 4.236 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.916 -9.476 3.956 1.00 0.00 C ATOM 0 H VAL A 53 -8.517 -9.871 6.901 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.418 -7.449 5.544 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.186 -10.390 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.581 -9.787 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.180 -8.994 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.238 -8.064 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.137 -10.225 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.796 -8.502 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.994 -9.744 4.472 1.00 0.00 H new ATOM 895 N ASP A 54 -11.261 -8.848 7.867 1.00 0.00 N ATOM 896 CA ASP A 54 -12.471 -8.604 8.692 1.00 0.00 C ATOM 897 C ASP A 54 -12.192 -7.460 9.664 1.00 0.00 C ATOM 898 O ASP A 54 -13.096 -6.904 10.245 1.00 0.00 O ATOM 899 CB ASP A 54 -12.832 -9.865 9.480 1.00 0.00 C ATOM 900 CG ASP A 54 -14.199 -9.682 10.141 1.00 0.00 C ATOM 901 OD1 ASP A 54 -14.237 -9.137 11.231 1.00 0.00 O ATOM 902 OD2 ASP A 54 -15.182 -10.090 9.545 1.00 0.00 O ATOM 0 H ASP A 54 -10.680 -9.632 8.164 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.304 -8.342 8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.851 -10.729 8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.074 -10.062 10.238 1.00 0.00 H new ATOM 907 N LYS A 55 -10.952 -7.092 9.842 1.00 0.00 N ATOM 908 CA LYS A 55 -10.655 -5.973 10.775 1.00 0.00 C ATOM 909 C LYS A 55 -10.918 -4.653 10.051 1.00 0.00 C ATOM 910 O LYS A 55 -11.439 -3.712 10.619 1.00 0.00 O ATOM 911 CB LYS A 55 -9.194 -6.039 11.228 1.00 0.00 C ATOM 912 CG LYS A 55 -8.855 -4.787 12.039 1.00 0.00 C ATOM 913 CD LYS A 55 -8.122 -3.781 11.149 1.00 0.00 C ATOM 914 CE LYS A 55 -7.200 -2.912 12.008 1.00 0.00 C ATOM 915 NZ LYS A 55 -8.003 -2.201 13.043 1.00 0.00 N ATOM 0 H LYS A 55 -10.142 -7.513 9.387 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.292 -6.047 11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.029 -6.932 11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.536 -6.113 10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.767 -4.340 12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.233 -5.053 12.894 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.541 -4.306 10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.842 -3.155 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.440 -3.531 12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.676 -2.191 11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.449 -1.411 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.876 -1.834 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.245 -2.862 13.809 1.00 0.00 H new ATOM 929 N VAL A 56 -10.589 -4.577 8.794 1.00 0.00 N ATOM 930 CA VAL A 56 -10.862 -3.328 8.041 1.00 0.00 C ATOM 931 C VAL A 56 -12.324 -3.347 7.611 1.00 0.00 C ATOM 932 O VAL A 56 -12.980 -2.328 7.518 1.00 0.00 O ATOM 933 CB VAL A 56 -9.964 -3.261 6.807 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.568 -2.793 7.217 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.865 -4.645 6.163 1.00 0.00 C ATOM 0 H VAL A 56 -10.145 -5.323 8.259 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.661 -2.458 8.666 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.391 -2.559 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.927 -2.745 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.635 -1.805 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.145 -3.495 7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.224 -4.592 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.442 -5.350 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.859 -4.981 5.867 1.00 0.00 H new ATOM 945 N MET A 57 -12.829 -4.518 7.357 1.00 0.00 N ATOM 946 CA MET A 57 -14.248 -4.662 6.937 1.00 0.00 C ATOM 947 C MET A 57 -15.153 -4.546 8.164 1.00 0.00 C ATOM 948 O MET A 57 -16.312 -4.211 8.056 1.00 0.00 O ATOM 949 CB MET A 57 -14.435 -6.038 6.300 1.00 0.00 C ATOM 950 CG MET A 57 -15.822 -6.125 5.664 1.00 0.00 C ATOM 951 SD MET A 57 -15.657 -6.344 3.875 1.00 0.00 S ATOM 952 CE MET A 57 -14.379 -5.091 3.606 1.00 0.00 C ATOM 0 H MET A 57 -12.312 -5.395 7.423 1.00 0.00 H new ATOM 0 HA MET A 57 -14.505 -3.882 6.221 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.667 -6.208 5.546 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.320 -6.817 7.053 1.00 0.00 H new ATOM 0 HG2 MET A 57 -16.378 -6.959 6.093 1.00 0.00 H new ATOM 0 HG3 MET A 57 -16.389 -5.219 5.879 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.474 -4.685 2.599 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.498 -4.288 4.334 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.395 -5.544 3.723 1.00 0.00 H new ATOM 962 N GLU A 58 -14.635 -4.822 9.330 1.00 0.00 N ATOM 963 CA GLU A 58 -15.481 -4.716 10.554 1.00 0.00 C ATOM 964 C GLU A 58 -15.561 -3.249 10.974 1.00 0.00 C ATOM 965 O GLU A 58 -16.619 -2.748 11.294 1.00 0.00 O ATOM 966 CB GLU A 58 -14.884 -5.552 11.695 1.00 0.00 C ATOM 967 CG GLU A 58 -13.516 -5.002 12.087 1.00 0.00 C ATOM 968 CD GLU A 58 -12.953 -5.824 13.249 1.00 0.00 C ATOM 969 OE1 GLU A 58 -13.661 -6.695 13.731 1.00 0.00 O ATOM 970 OE2 GLU A 58 -11.824 -5.574 13.634 1.00 0.00 O ATOM 0 H GLU A 58 -13.671 -5.114 9.488 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.479 -5.096 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -15.552 -5.535 12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.791 -6.592 11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.837 -5.043 11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.602 -3.954 12.376 1.00 0.00 H new ATOM 977 N THR A 59 -14.461 -2.547 10.960 1.00 0.00 N ATOM 978 CA THR A 59 -14.504 -1.108 11.340 1.00 0.00 C ATOM 979 C THR A 59 -15.201 -0.347 10.217 1.00 0.00 C ATOM 980 O THR A 59 -15.833 0.672 10.425 1.00 0.00 O ATOM 981 CB THR A 59 -13.080 -0.576 11.515 1.00 0.00 C ATOM 982 OG1 THR A 59 -12.218 -1.647 11.875 1.00 0.00 O ATOM 983 CG2 THR A 59 -13.064 0.488 12.612 1.00 0.00 C ATOM 0 H THR A 59 -13.541 -2.905 10.704 1.00 0.00 H new ATOM 0 HA THR A 59 -15.042 -0.980 12.279 1.00 0.00 H new ATOM 0 HB THR A 59 -12.738 -0.134 10.579 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.868 -2.072 11.064 1.00 0.00 H new ATOM 0 HG21 THR A 59 -12.050 0.867 12.737 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.726 1.308 12.333 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.405 0.049 13.550 1.00 0.00 H new ATOM 991 N LEU A 60 -15.090 -0.858 9.024 1.00 0.00 N ATOM 992 CA LEU A 60 -15.734 -0.210 7.853 1.00 0.00 C ATOM 993 C LEU A 60 -17.254 -0.363 7.963 1.00 0.00 C ATOM 994 O LEU A 60 -17.994 0.600 7.907 1.00 0.00 O ATOM 995 CB LEU A 60 -15.240 -0.908 6.585 1.00 0.00 C ATOM 996 CG LEU A 60 -13.999 -0.189 6.054 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.382 -1.007 4.918 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.392 1.194 5.529 1.00 0.00 C ATOM 0 H LEU A 60 -14.572 -1.710 8.809 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.482 0.850 7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.005 -1.950 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.025 -0.908 5.828 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.273 -0.078 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.498 -0.495 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.099 -1.992 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.109 -1.118 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.506 1.705 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.119 1.085 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.831 1.779 6.337 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.717 -1.574 8.116 1.00 0.00 N ATOM 1011 CA ASP A 61 -19.183 -1.815 8.229 1.00 0.00 C ATOM 1012 C ASP A 61 -19.651 -1.522 9.655 1.00 0.00 C ATOM 1013 O ASP A 61 -20.832 -1.506 9.938 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.477 -3.280 7.893 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.890 -3.401 7.322 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -21.041 -3.245 6.121 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.801 -3.649 8.096 1.00 0.00 O ATOM 0 H ASP A 61 -17.138 -2.412 8.168 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.711 -1.160 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.749 -3.651 7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.381 -3.895 8.788 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.739 -1.297 10.558 1.00 0.00 N ATOM 1023 CA GLU A 62 -19.139 -1.013 11.966 1.00 0.00 C ATOM 1024 C GLU A 62 -19.767 0.379 12.048 1.00 0.00 C ATOM 1025 O GLU A 62 -20.939 0.527 12.331 1.00 0.00 O ATOM 1026 CB GLU A 62 -17.908 -1.078 12.874 1.00 0.00 C ATOM 1027 CG GLU A 62 -18.236 -0.462 14.236 1.00 0.00 C ATOM 1028 CD GLU A 62 -17.434 -1.180 15.324 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -17.906 -2.195 15.809 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -16.362 -0.702 15.653 1.00 0.00 O ATOM 0 H GLU A 62 -17.734 -1.297 10.383 1.00 0.00 H new ATOM 0 HA GLU A 62 -19.866 -1.757 12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.592 -2.113 13.000 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.077 -0.544 12.414 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.996 0.601 14.234 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.303 -0.548 14.439 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.996 1.398 11.805 1.00 0.00 N ATOM 1038 CA ASP A 63 -19.549 2.780 11.872 1.00 0.00 C ATOM 1039 C ASP A 63 -20.218 3.134 10.545 1.00 0.00 C ATOM 1040 O ASP A 63 -21.389 3.453 10.492 1.00 0.00 O ATOM 1041 CB ASP A 63 -18.418 3.770 12.154 1.00 0.00 C ATOM 1042 CG ASP A 63 -18.981 4.996 12.874 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -19.691 5.759 12.239 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -18.693 5.152 14.050 1.00 0.00 O ATOM 0 H ASP A 63 -18.007 1.336 11.563 1.00 0.00 H new ATOM 0 HA ASP A 63 -20.287 2.833 12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -17.650 3.297 12.766 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.942 4.070 11.221 1.00 0.00 H new ATOM 1049 N GLY A 64 -19.481 3.082 9.474 1.00 0.00 N ATOM 1050 CA GLY A 64 -20.065 3.418 8.143 1.00 0.00 C ATOM 1051 C GLY A 64 -20.015 4.934 7.924 1.00 0.00 C ATOM 1052 O GLY A 64 -20.162 5.415 6.818 1.00 0.00 O ATOM 0 H GLY A 64 -18.495 2.821 9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.512 2.909 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -21.095 3.067 8.088 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.812 5.690 8.970 1.00 0.00 N ATOM 1057 CA ASP A 65 -19.757 7.170 8.823 1.00 0.00 C ATOM 1058 C ASP A 65 -18.544 7.715 9.579 1.00 0.00 C ATOM 1059 O ASP A 65 -18.671 8.296 10.639 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.033 7.776 9.405 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.264 9.163 8.801 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -21.578 9.231 7.624 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -21.126 10.135 9.525 1.00 0.00 O ATOM 0 H ASP A 65 -19.682 5.344 9.921 1.00 0.00 H new ATOM 0 HA ASP A 65 -19.671 7.432 7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -21.884 7.129 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -20.951 7.849 10.489 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.368 7.534 9.044 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.150 8.042 9.732 1.00 0.00 C ATOM 1070 C GLY A 66 -15.186 8.631 8.700 1.00 0.00 C ATOM 1071 O GLY A 66 -15.280 8.355 7.521 1.00 0.00 O ATOM 0 H GLY A 66 -17.199 7.056 8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.424 8.802 10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.664 7.233 10.278 1.00 0.00 H new ATOM 1075 N GLU A 67 -14.261 9.443 9.133 1.00 0.00 N ATOM 1076 CA GLU A 67 -13.298 10.055 8.174 1.00 0.00 C ATOM 1077 C GLU A 67 -11.990 9.260 8.169 1.00 0.00 C ATOM 1078 O GLU A 67 -11.586 8.699 9.168 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.011 11.500 8.588 1.00 0.00 C ATOM 1080 CG GLU A 67 -14.213 12.383 8.240 1.00 0.00 C ATOM 1081 CD GLU A 67 -14.837 12.924 9.527 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -14.894 12.180 10.493 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -15.246 14.074 9.526 1.00 0.00 O ATOM 0 H GLU A 67 -14.130 9.709 10.109 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.733 10.039 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.809 11.549 9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.119 11.865 8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.899 13.208 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.950 11.808 7.679 1.00 0.00 H new ATOM 1090 N CYS A 68 -11.323 9.218 7.048 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.034 8.470 6.973 1.00 0.00 C ATOM 1092 C CYS A 68 -8.961 9.388 6.389 1.00 0.00 C ATOM 1093 O CYS A 68 -9.240 10.501 5.982 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.195 7.241 6.076 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.853 6.547 6.281 1.00 0.00 S ATOM 0 H CYS A 68 -11.614 9.669 6.181 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.744 8.145 7.972 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.032 7.516 5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.444 6.493 6.330 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.985 5.505 5.515 1.00 0.00 H new ATOM 1101 N ASP A 69 -7.736 8.941 6.345 1.00 0.00 N ATOM 1102 CA ASP A 69 -6.657 9.807 5.790 1.00 0.00 C ATOM 1103 C ASP A 69 -5.990 9.118 4.599 1.00 0.00 C ATOM 1104 O ASP A 69 -6.598 8.331 3.900 1.00 0.00 O ATOM 1105 CB ASP A 69 -5.610 10.074 6.873 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.306 10.495 8.169 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -6.950 11.531 8.163 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.181 9.774 9.145 1.00 0.00 O ATOM 0 H ASP A 69 -7.437 8.021 6.667 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.093 10.749 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.013 9.178 7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.925 10.856 6.546 1.00 0.00 H new ATOM 1113 N PHE A 70 -4.744 9.420 4.358 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.029 8.801 3.206 1.00 0.00 C ATOM 1115 C PHE A 70 -3.303 7.535 3.659 1.00 0.00 C ATOM 1116 O PHE A 70 -3.432 6.491 3.055 1.00 0.00 O ATOM 1117 CB PHE A 70 -3.011 9.796 2.652 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.730 10.881 1.889 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -4.231 11.999 2.566 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -3.892 10.771 0.503 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -4.893 13.007 1.857 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -4.556 11.779 -0.205 1.00 0.00 C ATOM 1123 CZ PHE A 70 -5.057 12.897 0.471 1.00 0.00 C ATOM 0 H PHE A 70 -4.188 10.072 4.912 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.753 8.541 2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.433 10.232 3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.305 9.284 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.107 12.083 3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.505 9.909 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.278 13.871 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.682 11.694 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.570 13.674 -0.076 1.00 0.00 H new ATOM 1133 N GLN A 71 -2.538 7.616 4.710 1.00 0.00 N ATOM 1134 CA GLN A 71 -1.812 6.406 5.186 1.00 0.00 C ATOM 1135 C GLN A 71 -2.825 5.397 5.718 1.00 0.00 C ATOM 1136 O GLN A 71 -2.528 4.233 5.887 1.00 0.00 O ATOM 1137 CB GLN A 71 -0.837 6.798 6.297 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.006 7.999 5.843 1.00 0.00 C ATOM 1139 CD GLN A 71 1.203 8.159 6.764 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.394 9.200 7.362 1.00 0.00 O ATOM 1141 NE2 GLN A 71 2.034 7.163 6.904 1.00 0.00 N ATOM 0 H GLN A 71 -2.384 8.462 5.258 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.252 5.962 4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.385 7.044 7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.184 5.959 6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.324 7.859 4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.614 8.904 5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.873 6.290 6.402 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.845 7.257 7.516 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.026 5.834 5.977 1.00 0.00 N ATOM 1151 CA GLU A 72 -5.062 4.896 6.479 1.00 0.00 C ATOM 1152 C GLU A 72 -5.662 4.145 5.291 1.00 0.00 C ATOM 1153 O GLU A 72 -5.604 2.934 5.212 1.00 0.00 O ATOM 1154 CB GLU A 72 -6.153 5.688 7.206 1.00 0.00 C ATOM 1155 CG GLU A 72 -5.774 5.842 8.681 1.00 0.00 C ATOM 1156 CD GLU A 72 -6.883 5.259 9.558 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -6.953 4.046 9.664 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -7.644 6.037 10.110 1.00 0.00 O ATOM 0 H GLU A 72 -4.332 6.800 5.862 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.620 4.183 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.273 6.669 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.110 5.175 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.832 5.331 8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.622 6.895 8.920 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.226 4.863 4.356 1.00 0.00 N ATOM 1166 CA PHE A 73 -6.817 4.203 3.158 1.00 0.00 C ATOM 1167 C PHE A 73 -5.697 3.484 2.398 1.00 0.00 C ATOM 1168 O PHE A 73 -5.934 2.574 1.629 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.484 5.286 2.279 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.207 5.056 0.806 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -5.992 5.474 0.249 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -8.164 4.430 0.000 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -5.736 5.266 -1.111 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -7.909 4.222 -1.360 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.694 4.640 -1.916 1.00 0.00 C ATOM 0 H PHE A 73 -6.302 5.880 4.372 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.573 3.471 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.560 5.284 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.116 6.270 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.252 5.957 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.101 4.107 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.799 5.589 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.649 3.739 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.496 4.479 -2.966 1.00 0.00 H new ATOM 1185 N MET A 74 -4.480 3.895 2.612 1.00 0.00 N ATOM 1186 CA MET A 74 -3.334 3.252 1.913 1.00 0.00 C ATOM 1187 C MET A 74 -2.958 1.955 2.630 1.00 0.00 C ATOM 1188 O MET A 74 -2.915 0.894 2.038 1.00 0.00 O ATOM 1189 CB MET A 74 -2.137 4.206 1.932 1.00 0.00 C ATOM 1190 CG MET A 74 -2.166 5.113 0.695 1.00 0.00 C ATOM 1191 SD MET A 74 -2.174 4.112 -0.815 1.00 0.00 S ATOM 1192 CE MET A 74 -1.003 2.846 -0.267 1.00 0.00 C ATOM 0 H MET A 74 -4.228 4.654 3.245 1.00 0.00 H new ATOM 0 HA MET A 74 -3.613 3.028 0.883 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.160 4.812 2.838 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.208 3.636 1.953 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.050 5.750 0.723 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.298 5.772 0.698 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.588 2.334 -1.135 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.197 3.316 0.296 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.517 2.125 0.368 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.690 2.031 3.903 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.320 0.804 4.659 1.00 0.00 C ATOM 1204 C ALA A 75 -3.546 -0.106 4.748 1.00 0.00 C ATOM 1205 O ALA A 75 -3.451 -1.266 5.098 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.846 1.190 6.064 1.00 0.00 C ATOM 0 H ALA A 75 -2.711 2.890 4.452 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.512 0.279 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.575 0.290 6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.978 1.844 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.648 1.710 6.588 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.698 0.416 4.419 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.935 -0.407 4.464 1.00 0.00 C ATOM 1214 C PHE A 76 -6.003 -1.272 3.200 1.00 0.00 C ATOM 1215 O PHE A 76 -6.297 -2.450 3.256 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.154 0.519 4.521 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.745 0.492 5.910 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.911 0.592 7.030 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -9.129 0.371 6.079 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.460 0.570 8.317 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.678 0.348 7.366 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.844 0.448 8.485 1.00 0.00 C ATOM 0 H PHE A 76 -4.833 1.382 4.120 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.926 -1.048 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.863 1.536 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.899 0.202 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.843 0.686 6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.774 0.295 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.816 0.647 9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.746 0.253 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.268 0.431 9.478 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.724 -0.692 2.061 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.761 -1.473 0.791 1.00 0.00 C ATOM 1234 C VAL A 77 -4.700 -2.575 0.841 1.00 0.00 C ATOM 1235 O VAL A 77 -4.824 -3.602 0.202 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.463 -0.536 -0.383 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.242 -1.357 -1.654 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.646 0.412 -0.593 1.00 0.00 C ATOM 0 H VAL A 77 -5.472 0.291 1.957 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.746 -1.922 0.664 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.565 0.041 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.030 -0.687 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.399 -2.033 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.139 -1.937 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.434 1.079 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.543 -0.168 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.805 1.001 0.310 1.00 0.00 H new ATOM 1248 N SER A 78 -3.653 -2.367 1.591 1.00 0.00 N ATOM 1249 CA SER A 78 -2.580 -3.400 1.673 1.00 0.00 C ATOM 1250 C SER A 78 -3.017 -4.553 2.581 1.00 0.00 C ATOM 1251 O SER A 78 -2.907 -5.708 2.226 1.00 0.00 O ATOM 1252 CB SER A 78 -1.307 -2.766 2.239 1.00 0.00 C ATOM 1253 OG SER A 78 -1.509 -1.368 2.408 1.00 0.00 O ATOM 0 H SER A 78 -3.493 -1.529 2.150 1.00 0.00 H new ATOM 0 HA SER A 78 -2.389 -3.790 0.673 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.052 -3.226 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.469 -2.945 1.566 1.00 0.00 H new ATOM 0 HG SER A 78 -0.649 -0.932 2.586 1.00 0.00 H new ATOM 1259 N MET A 79 -3.501 -4.253 3.754 1.00 0.00 N ATOM 1260 CA MET A 79 -3.927 -5.333 4.685 1.00 0.00 C ATOM 1261 C MET A 79 -4.854 -6.323 3.971 1.00 0.00 C ATOM 1262 O MET A 79 -4.760 -7.519 4.163 1.00 0.00 O ATOM 1263 CB MET A 79 -4.664 -4.707 5.867 1.00 0.00 C ATOM 1264 CG MET A 79 -3.852 -3.530 6.413 1.00 0.00 C ATOM 1265 SD MET A 79 -3.343 -3.886 8.114 1.00 0.00 S ATOM 1266 CE MET A 79 -4.781 -3.163 8.939 1.00 0.00 C ATOM 0 H MET A 79 -3.620 -3.304 4.108 1.00 0.00 H new ATOM 0 HA MET A 79 -3.046 -5.872 5.034 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.651 -4.367 5.554 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.816 -5.451 6.649 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.976 -3.358 5.788 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.448 -2.618 6.384 1.00 0.00 H new ATOM 0 HE1 MET A 79 -4.675 -3.274 10.018 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.851 -2.105 8.688 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.685 -3.675 8.609 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.764 -5.839 3.171 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.707 -6.764 2.477 1.00 0.00 C ATOM 1278 C VAL A 80 -6.051 -7.396 1.241 1.00 0.00 C ATOM 1279 O VAL A 80 -6.206 -8.575 0.989 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.962 -5.994 2.059 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.884 -5.843 3.269 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.578 -4.604 1.535 1.00 0.00 C ATOM 0 H VAL A 80 -5.896 -4.848 2.968 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.976 -7.564 3.167 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.473 -6.543 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.780 -5.295 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.166 -6.830 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.365 -5.297 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.478 -4.065 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.063 -4.049 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.920 -4.709 0.673 1.00 0.00 H new ATOM 1292 N THR A 81 -5.332 -6.634 0.461 1.00 0.00 N ATOM 1293 CA THR A 81 -4.692 -7.217 -0.757 1.00 0.00 C ATOM 1294 C THR A 81 -3.511 -8.099 -0.351 1.00 0.00 C ATOM 1295 O THR A 81 -2.916 -8.768 -1.172 1.00 0.00 O ATOM 1296 CB THR A 81 -4.200 -6.090 -1.670 1.00 0.00 C ATOM 1297 OG1 THR A 81 -5.128 -5.014 -1.633 1.00 0.00 O ATOM 1298 CG2 THR A 81 -4.076 -6.605 -3.107 1.00 0.00 C ATOM 0 H THR A 81 -5.160 -5.640 0.612 1.00 0.00 H new ATOM 0 HA THR A 81 -5.425 -7.822 -1.291 1.00 0.00 H new ATOM 0 HB THR A 81 -3.225 -5.746 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.050 -4.544 -0.777 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.726 -5.800 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.365 -7.430 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.049 -6.952 -3.455 1.00 0.00 H new ATOM 1306 N THR A 82 -3.171 -8.117 0.907 1.00 0.00 N ATOM 1307 CA THR A 82 -2.032 -8.967 1.352 1.00 0.00 C ATOM 1308 C THR A 82 -2.398 -9.649 2.671 1.00 0.00 C ATOM 1309 O THR A 82 -1.543 -10.121 3.395 1.00 0.00 O ATOM 1310 CB THR A 82 -0.785 -8.101 1.548 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.059 -7.085 2.503 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.389 -7.463 0.215 1.00 0.00 C ATOM 0 H THR A 82 -3.630 -7.582 1.644 1.00 0.00 H new ATOM 0 HA THR A 82 -1.824 -9.723 0.595 1.00 0.00 H new ATOM 0 HB THR A 82 0.036 -8.722 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.696 -6.444 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.499 -6.847 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.176 -8.245 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.208 -6.842 -0.149 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.663 -9.710 2.986 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.081 -10.367 4.255 1.00 0.00 C ATOM 1322 C ALA A 83 -3.413 -11.741 4.355 1.00 0.00 C ATOM 1323 O ALA A 83 -2.768 -12.052 5.337 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.602 -10.528 4.273 1.00 0.00 C ATOM 0 H ALA A 83 -4.423 -9.334 2.420 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.778 -9.753 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.906 -11.009 5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.073 -9.547 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.913 -11.142 3.428 1.00 0.00 H new ATOM 1481 N SER B 1 -9.211 -1.571 -13.679 1.00 0.00 N ATOM 1482 CA SER B 1 -9.738 -0.606 -12.673 1.00 0.00 C ATOM 1483 C SER B 1 -8.612 0.315 -12.203 1.00 0.00 C ATOM 1484 O SER B 1 -7.461 0.129 -12.546 1.00 0.00 O ATOM 1485 CB SER B 1 -10.296 -1.374 -11.474 1.00 0.00 C ATOM 1486 OG SER B 1 -10.086 -0.612 -10.292 1.00 0.00 O ATOM 0 H1 SER B 1 -9.583 -1.329 -14.620 1.00 0.00 H new ATOM 0 H2 SER B 1 -8.172 -1.524 -13.695 1.00 0.00 H new ATOM 0 H3 SER B 1 -9.510 -2.534 -13.426 1.00 0.00 H new ATOM 0 HA SER B 1 -10.529 -0.009 -13.127 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.360 -1.566 -11.613 1.00 0.00 H new ATOM 0 HB3 SER B 1 -9.806 -2.344 -11.388 1.00 0.00 H new ATOM 0 HG SER B 1 -10.914 -0.147 -10.051 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.935 1.307 -11.420 1.00 0.00 N ATOM 1493 CA GLU B 2 -7.887 2.241 -10.925 1.00 0.00 C ATOM 1494 C GLU B 2 -7.153 1.609 -9.739 1.00 0.00 C ATOM 1495 O GLU B 2 -5.943 1.646 -9.654 1.00 0.00 O ATOM 1496 CB GLU B 2 -8.543 3.549 -10.478 1.00 0.00 C ATOM 1497 CG GLU B 2 -7.936 4.719 -11.257 1.00 0.00 C ATOM 1498 CD GLU B 2 -8.336 4.613 -12.730 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -9.521 4.500 -12.996 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -7.451 4.649 -13.568 1.00 0.00 O ATOM 0 H GLU B 2 -9.882 1.511 -11.101 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.175 2.443 -11.725 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -9.619 3.505 -10.648 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -8.395 3.695 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.283 5.665 -10.842 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.850 4.709 -11.162 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.878 1.033 -8.817 1.00 0.00 N ATOM 1508 CA LEU B 3 -7.224 0.405 -7.631 1.00 0.00 C ATOM 1509 C LEU B 3 -6.681 -0.973 -8.003 1.00 0.00 C ATOM 1510 O LEU B 3 -5.587 -1.342 -7.634 1.00 0.00 O ATOM 1511 CB LEU B 3 -8.250 0.242 -6.512 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.536 0.237 -5.159 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -7.038 1.648 -4.839 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.512 -0.224 -4.074 1.00 0.00 C ATOM 0 H LEU B 3 -8.896 0.970 -8.834 1.00 0.00 H new ATOM 0 HA LEU B 3 -6.405 1.044 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.976 1.055 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.805 -0.687 -6.646 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.686 -0.444 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.529 1.644 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.344 1.974 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.885 2.333 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -8.007 -0.229 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.362 0.458 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.864 -1.230 -4.304 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.442 -1.746 -8.716 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.965 -3.105 -9.092 1.00 0.00 C ATOM 1528 C GLU B 4 -5.703 -3.001 -9.952 1.00 0.00 C ATOM 1529 O GLU B 4 -4.750 -3.721 -9.754 1.00 0.00 O ATOM 1530 CB GLU B 4 -8.060 -3.830 -9.877 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.579 -5.234 -10.253 1.00 0.00 C ATOM 1532 CD GLU B 4 -8.143 -5.616 -11.623 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -8.582 -4.723 -12.330 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -8.125 -6.793 -11.940 1.00 0.00 O ATOM 0 H GLU B 4 -8.372 -1.500 -9.056 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.732 -3.664 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.969 -3.894 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.310 -3.267 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.490 -5.263 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.902 -5.954 -9.501 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.682 -2.118 -10.909 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.471 -1.999 -11.772 1.00 0.00 C ATOM 1543 C LYS B 5 -3.315 -1.387 -10.975 1.00 0.00 C ATOM 1544 O LYS B 5 -2.167 -1.738 -11.163 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.787 -1.109 -12.979 1.00 0.00 C ATOM 1546 CG LYS B 5 -4.857 0.356 -12.536 1.00 0.00 C ATOM 1547 CD LYS B 5 -5.328 1.225 -13.707 1.00 0.00 C ATOM 1548 CE LYS B 5 -4.347 2.382 -13.914 1.00 0.00 C ATOM 1549 NZ LYS B 5 -4.282 2.725 -15.363 1.00 0.00 N ATOM 0 H LYS B 5 -6.444 -1.477 -11.132 1.00 0.00 H new ATOM 0 HA LYS B 5 -4.181 -2.992 -12.115 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.020 -1.231 -13.744 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -5.734 -1.409 -13.426 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -5.542 0.460 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.878 0.690 -12.193 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -5.395 0.625 -14.614 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -6.327 1.613 -13.507 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.666 3.251 -13.338 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.358 2.104 -13.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.616 3.511 -15.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -3.959 1.896 -15.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -5.226 3.008 -15.696 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.603 -0.468 -10.098 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.516 0.173 -9.303 1.00 0.00 C ATOM 1565 C ALA B 6 -2.111 -0.730 -8.132 1.00 0.00 C ATOM 1566 O ALA B 6 -1.032 -1.287 -8.105 1.00 0.00 O ATOM 1567 CB ALA B 6 -3.016 1.513 -8.758 1.00 0.00 C ATOM 0 H ALA B 6 -4.544 -0.132 -9.896 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.650 0.330 -9.945 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -2.226 1.987 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -3.294 2.162 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.885 1.346 -8.122 1.00 0.00 H new ATOM 1573 N MET B 7 -2.970 -0.865 -7.162 1.00 0.00 N ATOM 1574 CA MET B 7 -2.654 -1.711 -5.978 1.00 0.00 C ATOM 1575 C MET B 7 -2.058 -3.043 -6.426 1.00 0.00 C ATOM 1576 O MET B 7 -1.018 -3.463 -5.954 1.00 0.00 O ATOM 1577 CB MET B 7 -3.939 -1.977 -5.194 1.00 0.00 C ATOM 1578 CG MET B 7 -3.639 -2.922 -4.028 1.00 0.00 C ATOM 1579 SD MET B 7 -2.215 -2.300 -3.099 1.00 0.00 S ATOM 1580 CE MET B 7 -2.559 -3.166 -1.548 1.00 0.00 C ATOM 0 H MET B 7 -3.888 -0.420 -7.139 1.00 0.00 H new ATOM 0 HA MET B 7 -1.932 -1.189 -5.350 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.350 -1.039 -4.820 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.692 -2.417 -5.848 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.508 -2.998 -3.375 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.433 -3.925 -4.402 1.00 0.00 H new ATOM 0 HE1 MET B 7 -2.448 -2.475 -0.713 1.00 0.00 H new ATOM 0 HE2 MET B 7 -3.578 -3.553 -1.565 1.00 0.00 H new ATOM 0 HE3 MET B 7 -1.859 -3.993 -1.430 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.713 -3.720 -7.323 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.186 -5.035 -7.786 1.00 0.00 C ATOM 1592 C VAL B 8 -0.814 -4.834 -8.431 1.00 0.00 C ATOM 1593 O VAL B 8 0.064 -5.666 -8.311 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.152 -5.656 -8.794 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.696 -7.076 -9.123 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.557 -5.710 -8.188 1.00 0.00 C ATOM 0 H VAL B 8 -3.588 -3.423 -7.756 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.088 -5.707 -6.933 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.166 -5.052 -9.702 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.383 -7.522 -9.842 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.693 -7.047 -9.550 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.685 -7.675 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.246 -6.153 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.539 -6.315 -7.282 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.887 -4.700 -7.944 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.612 -3.733 -9.104 1.00 0.00 N ATOM 1607 CA ALA B 9 0.713 -3.485 -9.737 1.00 0.00 C ATOM 1608 C ALA B 9 1.797 -3.578 -8.665 1.00 0.00 C ATOM 1609 O ALA B 9 2.870 -4.101 -8.895 1.00 0.00 O ATOM 1610 CB ALA B 9 0.730 -2.090 -10.366 1.00 0.00 C ATOM 0 H ALA B 9 -1.305 -2.998 -9.242 1.00 0.00 H new ATOM 0 HA ALA B 9 0.896 -4.227 -10.514 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.701 -1.911 -10.828 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -0.051 -2.023 -11.124 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.552 -1.341 -9.595 1.00 0.00 H new ATOM 1616 N LEU B 10 1.522 -3.084 -7.488 1.00 0.00 N ATOM 1617 CA LEU B 10 2.533 -3.156 -6.398 1.00 0.00 C ATOM 1618 C LEU B 10 2.885 -4.625 -6.151 1.00 0.00 C ATOM 1619 O LEU B 10 4.038 -5.007 -6.160 1.00 0.00 O ATOM 1620 CB LEU B 10 1.954 -2.544 -5.120 1.00 0.00 C ATOM 1621 CG LEU B 10 2.989 -1.614 -4.487 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.303 -0.704 -3.467 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.059 -2.452 -3.783 1.00 0.00 C ATOM 0 H LEU B 10 0.642 -2.635 -7.236 1.00 0.00 H new ATOM 0 HA LEU B 10 3.428 -2.603 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.044 -1.990 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU B 10 1.680 -3.332 -4.418 1.00 0.00 H new ATOM 0 HG LEU B 10 3.453 -1.004 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.042 -0.041 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.538 -0.109 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.839 -1.312 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.799 -1.792 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.593 -3.060 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.548 -3.102 -4.509 1.00 0.00 H new ATOM 1635 N ILE B 11 1.898 -5.453 -5.943 1.00 0.00 N ATOM 1636 CA ILE B 11 2.174 -6.899 -5.712 1.00 0.00 C ATOM 1637 C ILE B 11 3.125 -7.394 -6.804 1.00 0.00 C ATOM 1638 O ILE B 11 3.999 -8.204 -6.563 1.00 0.00 O ATOM 1639 CB ILE B 11 0.847 -7.676 -5.760 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.170 -7.597 -4.390 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.089 -9.151 -6.112 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -0.817 -6.428 -4.372 1.00 0.00 C ATOM 0 H ILE B 11 0.913 -5.191 -5.923 1.00 0.00 H new ATOM 0 HA ILE B 11 2.636 -7.053 -4.737 1.00 0.00 H new ATOM 0 HB ILE B 11 0.212 -7.232 -6.527 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.352 -8.530 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.920 -7.465 -3.610 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.136 -9.679 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.570 -9.218 -7.088 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.733 -9.604 -5.358 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.298 -6.373 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.283 -5.498 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.574 -6.579 -5.142 1.00 0.00 H new ATOM 1654 N ASP B 12 2.962 -6.907 -8.002 1.00 0.00 N ATOM 1655 CA ASP B 12 3.854 -7.339 -9.113 1.00 0.00 C ATOM 1656 C ASP B 12 5.312 -7.094 -8.722 1.00 0.00 C ATOM 1657 O ASP B 12 6.149 -7.969 -8.825 1.00 0.00 O ATOM 1658 CB ASP B 12 3.517 -6.529 -10.366 1.00 0.00 C ATOM 1659 CG ASP B 12 4.059 -7.249 -11.602 1.00 0.00 C ATOM 1660 OD1 ASP B 12 3.347 -8.085 -12.137 1.00 0.00 O ATOM 1661 OD2 ASP B 12 5.174 -6.953 -11.994 1.00 0.00 O ATOM 0 H ASP B 12 2.247 -6.226 -8.260 1.00 0.00 H new ATOM 0 HA ASP B 12 3.709 -8.401 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.438 -6.402 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.950 -5.531 -10.294 1.00 0.00 H new ATOM 1666 N VAL B 13 5.622 -5.905 -8.281 1.00 0.00 N ATOM 1667 CA VAL B 13 7.027 -5.594 -7.887 1.00 0.00 C ATOM 1668 C VAL B 13 7.559 -6.681 -6.947 1.00 0.00 C ATOM 1669 O VAL B 13 8.719 -7.040 -6.996 1.00 0.00 O ATOM 1670 CB VAL B 13 7.070 -4.242 -7.171 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.436 -4.056 -6.508 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.846 -3.119 -8.187 1.00 0.00 C ATOM 0 H VAL B 13 4.962 -5.134 -8.176 1.00 0.00 H new ATOM 0 HA VAL B 13 7.648 -5.556 -8.782 1.00 0.00 H new ATOM 0 HB VAL B 13 6.289 -4.211 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.465 -3.093 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.601 -4.854 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.217 -4.088 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.877 -2.156 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.628 -3.153 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.874 -3.247 -8.663 1.00 0.00 H new ATOM 1682 N PHE B 14 6.728 -7.200 -6.086 1.00 0.00 N ATOM 1683 CA PHE B 14 7.195 -8.257 -5.141 1.00 0.00 C ATOM 1684 C PHE B 14 7.750 -9.446 -5.930 1.00 0.00 C ATOM 1685 O PHE B 14 8.791 -9.984 -5.608 1.00 0.00 O ATOM 1686 CB PHE B 14 6.021 -8.719 -4.275 1.00 0.00 C ATOM 1687 CG PHE B 14 6.527 -9.152 -2.918 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.244 -10.347 -2.784 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.273 -8.358 -1.792 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.708 -10.748 -1.525 1.00 0.00 C ATOM 1691 CE2 PHE B 14 6.738 -8.760 -0.534 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.455 -9.955 -0.400 1.00 0.00 C ATOM 0 H PHE B 14 5.746 -6.939 -5.995 1.00 0.00 H new ATOM 0 HA PHE B 14 7.981 -7.852 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.299 -7.910 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.502 -9.545 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.439 -10.960 -3.652 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.719 -7.437 -1.894 1.00 0.00 H new ATOM 0 HE1 PHE B 14 8.261 -11.670 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.543 -8.148 0.334 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.813 -10.265 0.571 1.00 0.00 H new ATOM 1702 N HIS B 15 7.065 -9.861 -6.961 1.00 0.00 N ATOM 1703 CA HIS B 15 7.561 -11.015 -7.766 1.00 0.00 C ATOM 1704 C HIS B 15 8.637 -10.534 -8.741 1.00 0.00 C ATOM 1705 O HIS B 15 9.280 -11.321 -9.407 1.00 0.00 O ATOM 1706 CB HIS B 15 6.401 -11.628 -8.552 1.00 0.00 C ATOM 1707 CG HIS B 15 6.602 -13.115 -8.660 1.00 0.00 C ATOM 1708 ND1 HIS B 15 5.570 -13.977 -8.997 1.00 0.00 N ATOM 1709 CD2 HIS B 15 7.708 -13.907 -8.476 1.00 0.00 C ATOM 1710 CE1 HIS B 15 6.073 -15.225 -9.005 1.00 0.00 C ATOM 1711 NE2 HIS B 15 7.371 -15.240 -8.694 1.00 0.00 N ATOM 0 H HIS B 15 6.186 -9.453 -7.280 1.00 0.00 H new ATOM 0 HA HIS B 15 7.984 -11.765 -7.098 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.456 -11.413 -8.054 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.346 -11.184 -9.546 1.00 0.00 H new ATOM 0 HD2 HIS B 15 8.690 -13.550 -8.204 1.00 0.00 H new ATOM 0 HE1 HIS B 15 5.496 -16.108 -9.235 1.00 0.00 H new ATOM 0 HE2 HIS B 15 7.984 -16.053 -8.630 1.00 0.00 H new ATOM 1719 N GLN B 16 8.836 -9.248 -8.832 1.00 0.00 N ATOM 1720 CA GLN B 16 9.870 -8.716 -9.763 1.00 0.00 C ATOM 1721 C GLN B 16 11.239 -8.768 -9.085 1.00 0.00 C ATOM 1722 O GLN B 16 12.261 -8.850 -9.735 1.00 0.00 O ATOM 1723 CB GLN B 16 9.531 -7.268 -10.123 1.00 0.00 C ATOM 1724 CG GLN B 16 9.005 -7.206 -11.558 1.00 0.00 C ATOM 1725 CD GLN B 16 10.157 -7.451 -12.533 1.00 0.00 C ATOM 1726 OE1 GLN B 16 10.919 -8.383 -12.369 1.00 0.00 O ATOM 1727 NE2 GLN B 16 10.316 -6.648 -13.551 1.00 0.00 N ATOM 0 H GLN B 16 8.326 -8.542 -8.301 1.00 0.00 H new ATOM 0 HA GLN B 16 9.892 -9.320 -10.670 1.00 0.00 H new ATOM 0 HB2 GLN B 16 8.783 -6.877 -9.433 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.417 -6.641 -10.022 1.00 0.00 H new ATOM 0 HG2 GLN B 16 8.226 -7.954 -11.704 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.553 -6.233 -11.749 1.00 0.00 H new ATOM 0 HE21 GLN B 16 9.676 -5.866 -13.688 1.00 0.00 H new ATOM 0 HE22 GLN B 16 11.080 -6.803 -14.209 1.00 0.00 H new ATOM 1736 N TYR B 17 11.267 -8.718 -7.782 1.00 0.00 N ATOM 1737 CA TYR B 17 12.570 -8.764 -7.060 1.00 0.00 C ATOM 1738 C TYR B 17 12.739 -10.132 -6.396 1.00 0.00 C ATOM 1739 O TYR B 17 13.733 -10.806 -6.583 1.00 0.00 O ATOM 1740 CB TYR B 17 12.597 -7.669 -5.992 1.00 0.00 C ATOM 1741 CG TYR B 17 12.775 -6.324 -6.654 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.703 -5.728 -7.328 1.00 0.00 C ATOM 1743 CD2 TYR B 17 14.012 -5.674 -6.597 1.00 0.00 C ATOM 1744 CE1 TYR B 17 11.866 -4.480 -7.944 1.00 0.00 C ATOM 1745 CE2 TYR B 17 14.177 -4.427 -7.214 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.104 -3.830 -7.888 1.00 0.00 C ATOM 1747 OH TYR B 17 13.267 -2.600 -8.496 1.00 0.00 O ATOM 0 H TYR B 17 10.443 -8.647 -7.185 1.00 0.00 H new ATOM 0 HA TYR B 17 13.384 -8.603 -7.767 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.671 -7.684 -5.418 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.411 -7.851 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.748 -6.231 -7.373 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.840 -6.133 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR B 17 11.037 -4.020 -8.461 1.00 0.00 H new ATOM 0 HE2 TYR B 17 15.133 -3.926 -7.170 1.00 0.00 H new ATOM 0 HH TYR B 17 14.186 -2.288 -8.361 1.00 0.00 H new ATOM 1757 N SER B 18 11.775 -10.549 -5.621 1.00 0.00 N ATOM 1758 CA SER B 18 11.880 -11.874 -4.946 1.00 0.00 C ATOM 1759 C SER B 18 12.297 -12.933 -5.969 1.00 0.00 C ATOM 1760 O SER B 18 13.291 -13.613 -5.805 1.00 0.00 O ATOM 1761 CB SER B 18 10.526 -12.252 -4.348 1.00 0.00 C ATOM 1762 OG SER B 18 10.716 -12.750 -3.030 1.00 0.00 O ATOM 0 H SER B 18 10.919 -10.029 -5.426 1.00 0.00 H new ATOM 0 HA SER B 18 12.625 -11.819 -4.152 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.869 -11.383 -4.329 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.040 -13.006 -4.967 1.00 0.00 H new ATOM 0 HG SER B 18 11.170 -12.073 -2.487 1.00 0.00 H new ATOM 1855 N HIS B 25 9.463 -15.964 -2.057 1.00 0.00 N ATOM 1856 CA HIS B 25 8.294 -15.047 -1.929 1.00 0.00 C ATOM 1857 C HIS B 25 8.482 -14.151 -0.701 1.00 0.00 C ATOM 1858 O HIS B 25 7.540 -13.811 -0.017 1.00 0.00 O ATOM 1859 CB HIS B 25 7.017 -15.874 -1.772 1.00 0.00 C ATOM 1860 CG HIS B 25 7.071 -17.056 -2.702 1.00 0.00 C ATOM 1861 ND1 HIS B 25 7.109 -16.906 -4.079 1.00 0.00 N ATOM 1862 CD2 HIS B 25 7.096 -18.410 -2.470 1.00 0.00 C ATOM 1863 CE1 HIS B 25 7.155 -18.139 -4.619 1.00 0.00 C ATOM 1864 NE2 HIS B 25 7.149 -19.091 -3.683 1.00 0.00 N ATOM 0 HA HIS B 25 8.216 -14.425 -2.821 1.00 0.00 H new ATOM 0 HB2 HIS B 25 6.914 -16.213 -0.741 1.00 0.00 H new ATOM 0 HB3 HIS B 25 6.144 -15.261 -1.995 1.00 0.00 H new ATOM 0 HD2 HIS B 25 7.077 -18.875 -1.495 1.00 0.00 H new ATOM 0 HE1 HIS B 25 7.192 -18.334 -5.681 1.00 0.00 H new ATOM 0 HE2 HIS B 25 7.177 -20.101 -3.826 1.00 0.00 H new ATOM 1872 N LYS B 26 9.698 -13.767 -0.419 1.00 0.00 N ATOM 1873 CA LYS B 26 9.958 -12.893 0.763 1.00 0.00 C ATOM 1874 C LYS B 26 10.960 -11.804 0.372 1.00 0.00 C ATOM 1875 O LYS B 26 11.851 -12.027 -0.423 1.00 0.00 O ATOM 1876 CB LYS B 26 10.536 -13.737 1.904 1.00 0.00 C ATOM 1877 CG LYS B 26 9.823 -15.092 1.949 1.00 0.00 C ATOM 1878 CD LYS B 26 9.555 -15.484 3.404 1.00 0.00 C ATOM 1879 CE LYS B 26 8.919 -16.876 3.450 1.00 0.00 C ATOM 1880 NZ LYS B 26 7.487 -16.752 3.837 1.00 0.00 N ATOM 0 H LYS B 26 10.526 -14.022 -0.958 1.00 0.00 H new ATOM 0 HA LYS B 26 9.027 -12.432 1.092 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.606 -13.882 1.757 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.412 -13.217 2.854 1.00 0.00 H new ATOM 0 HG2 LYS B 26 8.884 -15.039 1.398 1.00 0.00 H new ATOM 0 HG3 LYS B 26 10.435 -15.852 1.464 1.00 0.00 H new ATOM 0 HD2 LYS B 26 10.486 -15.479 3.970 1.00 0.00 H new ATOM 0 HD3 LYS B 26 8.894 -14.755 3.872 1.00 0.00 H new ATOM 0 HE2 LYS B 26 9.004 -17.359 2.477 1.00 0.00 H new ATOM 0 HE3 LYS B 26 9.447 -17.506 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 7.053 -17.697 3.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 7.418 -16.307 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 6.988 -16.165 3.138 1.00 0.00 H new ATOM 1894 N LEU B 27 10.822 -10.627 0.919 1.00 0.00 N ATOM 1895 CA LEU B 27 11.771 -9.528 0.574 1.00 0.00 C ATOM 1896 C LEU B 27 12.556 -9.139 1.823 1.00 0.00 C ATOM 1897 O LEU B 27 12.008 -9.033 2.896 1.00 0.00 O ATOM 1898 CB LEU B 27 10.989 -8.315 0.062 1.00 0.00 C ATOM 1899 CG LEU B 27 11.470 -7.953 -1.345 1.00 0.00 C ATOM 1900 CD1 LEU B 27 10.600 -8.663 -2.383 1.00 0.00 C ATOM 1901 CD2 LEU B 27 11.363 -6.439 -1.546 1.00 0.00 C ATOM 0 H LEU B 27 10.094 -10.378 1.589 1.00 0.00 H new ATOM 0 HA LEU B 27 12.457 -9.865 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.922 -8.537 0.047 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.129 -7.469 0.734 1.00 0.00 H new ATOM 0 HG LEU B 27 12.507 -8.266 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.944 -8.404 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.672 -9.741 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU B 27 9.563 -8.350 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.705 -6.180 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.325 -6.128 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU B 27 11.982 -5.929 -0.808 1.00 0.00 H new ATOM 1913 N LYS B 28 13.834 -8.931 1.701 1.00 0.00 N ATOM 1914 CA LYS B 28 14.642 -8.564 2.899 1.00 0.00 C ATOM 1915 C LYS B 28 14.645 -7.046 3.081 1.00 0.00 C ATOM 1916 O LYS B 28 14.131 -6.308 2.262 1.00 0.00 O ATOM 1917 CB LYS B 28 16.073 -9.055 2.698 1.00 0.00 C ATOM 1918 CG LYS B 28 16.307 -10.325 3.518 1.00 0.00 C ATOM 1919 CD LYS B 28 16.986 -11.380 2.643 1.00 0.00 C ATOM 1920 CE LYS B 28 18.441 -11.546 3.081 1.00 0.00 C ATOM 1921 NZ LYS B 28 19.259 -12.003 1.922 1.00 0.00 N ATOM 0 H LYS B 28 14.356 -8.998 0.827 1.00 0.00 H new ATOM 0 HA LYS B 28 14.210 -9.026 3.786 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.253 -9.255 1.642 1.00 0.00 H new ATOM 0 HB3 LYS B 28 16.778 -8.281 3.001 1.00 0.00 H new ATOM 0 HG2 LYS B 28 16.929 -10.101 4.385 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.358 -10.706 3.896 1.00 0.00 H new ATOM 0 HD2 LYS B 28 16.459 -12.331 2.726 1.00 0.00 H new ATOM 0 HD3 LYS B 28 16.942 -11.082 1.595 1.00 0.00 H new ATOM 0 HE2 LYS B 28 18.827 -10.601 3.462 1.00 0.00 H new ATOM 0 HE3 LYS B 28 18.507 -12.269 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 20.249 -12.116 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 18.895 -12.914 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.205 -11.298 1.159 1.00 0.00 H new ATOM 1935 N LYS B 29 15.217 -6.574 4.156 1.00 0.00 N ATOM 1936 CA LYS B 29 15.248 -5.103 4.399 1.00 0.00 C ATOM 1937 C LYS B 29 16.307 -4.453 3.507 1.00 0.00 C ATOM 1938 O LYS B 29 16.313 -3.255 3.311 1.00 0.00 O ATOM 1939 CB LYS B 29 15.565 -4.821 5.873 1.00 0.00 C ATOM 1940 CG LYS B 29 16.621 -5.804 6.382 1.00 0.00 C ATOM 1941 CD LYS B 29 17.153 -5.320 7.733 1.00 0.00 C ATOM 1942 CE LYS B 29 16.085 -5.524 8.809 1.00 0.00 C ATOM 1943 NZ LYS B 29 16.338 -4.592 9.944 1.00 0.00 N ATOM 0 H LYS B 29 15.664 -7.143 4.875 1.00 0.00 H new ATOM 0 HA LYS B 29 14.271 -4.683 4.160 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.925 -3.798 5.986 1.00 0.00 H new ATOM 0 HB3 LYS B 29 14.658 -4.908 6.471 1.00 0.00 H new ATOM 0 HG2 LYS B 29 16.189 -6.799 6.484 1.00 0.00 H new ATOM 0 HG3 LYS B 29 17.437 -5.883 5.664 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.058 -5.868 7.996 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.425 -4.266 7.672 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.094 -5.345 8.391 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.101 -6.555 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 16.609 -5.137 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 17.107 -3.939 9.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 15.475 -4.048 10.146 1.00 0.00 H new ATOM 1957 N SER B 30 17.196 -5.230 2.952 1.00 0.00 N ATOM 1958 CA SER B 30 18.234 -4.642 2.062 1.00 0.00 C ATOM 1959 C SER B 30 17.620 -4.413 0.682 1.00 0.00 C ATOM 1960 O SER B 30 17.795 -3.372 0.077 1.00 0.00 O ATOM 1961 CB SER B 30 19.423 -5.598 1.950 1.00 0.00 C ATOM 1962 OG SER B 30 20.575 -4.979 2.505 1.00 0.00 O ATOM 0 H SER B 30 17.248 -6.241 3.076 1.00 0.00 H new ATOM 0 HA SER B 30 18.584 -3.696 2.474 1.00 0.00 H new ATOM 0 HB2 SER B 30 19.207 -6.529 2.475 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.601 -5.855 0.906 1.00 0.00 H new ATOM 0 HG SER B 30 20.687 -5.270 3.434 1.00 0.00 H new ATOM 1968 N GLU B 31 16.883 -5.369 0.190 1.00 0.00 N ATOM 1969 CA GLU B 31 16.235 -5.197 -1.138 1.00 0.00 C ATOM 1970 C GLU B 31 14.972 -4.361 -0.947 1.00 0.00 C ATOM 1971 O GLU B 31 14.438 -3.799 -1.881 1.00 0.00 O ATOM 1972 CB GLU B 31 15.870 -6.566 -1.716 1.00 0.00 C ATOM 1973 CG GLU B 31 15.246 -6.386 -3.101 1.00 0.00 C ATOM 1974 CD GLU B 31 15.750 -7.488 -4.035 1.00 0.00 C ATOM 1975 OE1 GLU B 31 15.251 -8.598 -3.934 1.00 0.00 O ATOM 1976 OE2 GLU B 31 16.626 -7.204 -4.835 1.00 0.00 O ATOM 0 H GLU B 31 16.702 -6.261 0.650 1.00 0.00 H new ATOM 0 HA GLU B 31 16.915 -4.698 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.760 -7.192 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU B 31 15.171 -7.077 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.159 -6.424 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU B 31 15.505 -5.407 -3.504 1.00 0.00 H new ATOM 1983 N LEU B 32 14.505 -4.260 0.269 1.00 0.00 N ATOM 1984 CA LEU B 32 13.296 -3.438 0.539 1.00 0.00 C ATOM 1985 C LEU B 32 13.732 -1.976 0.605 1.00 0.00 C ATOM 1986 O LEU B 32 13.089 -1.092 0.075 1.00 0.00 O ATOM 1987 CB LEU B 32 12.679 -3.852 1.878 1.00 0.00 C ATOM 1988 CG LEU B 32 11.683 -2.783 2.333 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.599 -2.614 1.269 1.00 0.00 C ATOM 1990 CD2 LEU B 32 11.041 -3.211 3.655 1.00 0.00 C ATOM 0 H LEU B 32 14.912 -4.714 1.087 1.00 0.00 H new ATOM 0 HA LEU B 32 12.554 -3.581 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.176 -4.814 1.777 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.461 -3.978 2.627 1.00 0.00 H new ATOM 0 HG LEU B 32 12.204 -1.836 2.475 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.888 -1.853 1.591 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.057 -2.308 0.328 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.077 -3.561 1.127 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.332 -2.449 3.978 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.519 -4.158 3.516 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.815 -3.332 4.413 1.00 0.00 H new ATOM 2002 N LYS B 33 14.843 -1.726 1.242 1.00 0.00 N ATOM 2003 CA LYS B 33 15.360 -0.337 1.339 1.00 0.00 C ATOM 2004 C LYS B 33 15.592 0.193 -0.071 1.00 0.00 C ATOM 2005 O LYS B 33 15.247 1.311 -0.400 1.00 0.00 O ATOM 2006 CB LYS B 33 16.688 -0.358 2.095 1.00 0.00 C ATOM 2007 CG LYS B 33 17.019 1.051 2.586 1.00 0.00 C ATOM 2008 CD LYS B 33 18.533 1.195 2.741 1.00 0.00 C ATOM 2009 CE LYS B 33 18.881 2.666 2.975 1.00 0.00 C ATOM 2010 NZ LYS B 33 20.041 3.042 2.120 1.00 0.00 N ATOM 0 H LYS B 33 15.417 -2.432 1.702 1.00 0.00 H new ATOM 0 HA LYS B 33 14.647 0.299 1.864 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.626 -1.044 2.940 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.483 -0.724 1.445 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.643 1.791 1.880 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.526 1.241 3.539 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.884 0.589 3.577 1.00 0.00 H new ATOM 0 HD3 LYS B 33 19.038 0.828 1.847 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.023 3.296 2.740 1.00 0.00 H new ATOM 0 HE3 LYS B 33 19.120 2.832 4.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 20.279 4.042 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 20.859 2.449 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.796 2.898 1.120 1.00 0.00 H new ATOM 2024 N GLU B 34 16.167 -0.621 -0.905 1.00 0.00 N ATOM 2025 CA GLU B 34 16.426 -0.204 -2.307 1.00 0.00 C ATOM 2026 C GLU B 34 15.097 -0.156 -3.052 1.00 0.00 C ATOM 2027 O GLU B 34 14.862 0.689 -3.887 1.00 0.00 O ATOM 2028 CB GLU B 34 17.367 -1.226 -2.960 1.00 0.00 C ATOM 2029 CG GLU B 34 16.585 -2.450 -3.452 1.00 0.00 C ATOM 2030 CD GLU B 34 17.494 -3.320 -4.322 1.00 0.00 C ATOM 2031 OE1 GLU B 34 18.700 -3.193 -4.194 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.970 -4.097 -5.101 1.00 0.00 O ATOM 0 H GLU B 34 16.472 -1.567 -0.674 1.00 0.00 H new ATOM 0 HA GLU B 34 16.892 0.781 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.890 -0.763 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU B 34 18.126 -1.538 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.217 -3.026 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.713 -2.132 -4.023 1.00 0.00 H new ATOM 2039 N LEU B 35 14.230 -1.070 -2.742 1.00 0.00 N ATOM 2040 CA LEU B 35 12.900 -1.108 -3.411 1.00 0.00 C ATOM 2041 C LEU B 35 12.249 0.278 -3.339 1.00 0.00 C ATOM 2042 O LEU B 35 11.664 0.751 -4.293 1.00 0.00 O ATOM 2043 CB LEU B 35 12.009 -2.127 -2.694 1.00 0.00 C ATOM 2044 CG LEU B 35 11.272 -2.979 -3.728 1.00 0.00 C ATOM 2045 CD1 LEU B 35 10.478 -2.067 -4.666 1.00 0.00 C ATOM 2046 CD2 LEU B 35 12.289 -3.783 -4.539 1.00 0.00 C ATOM 0 H LEU B 35 14.384 -1.801 -2.048 1.00 0.00 H new ATOM 0 HA LEU B 35 13.023 -1.394 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.614 -2.763 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.292 -1.612 -2.054 1.00 0.00 H new ATOM 0 HG LEU B 35 10.589 -3.661 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.952 -2.673 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.755 -1.491 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.160 -1.386 -5.175 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.766 -4.392 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.970 -3.101 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.857 -4.431 -3.871 1.00 0.00 H new ATOM 2058 N ILE B 36 12.339 0.927 -2.209 1.00 0.00 N ATOM 2059 CA ILE B 36 11.718 2.277 -2.064 1.00 0.00 C ATOM 2060 C ILE B 36 12.637 3.352 -2.655 1.00 0.00 C ATOM 2061 O ILE B 36 12.248 4.113 -3.521 1.00 0.00 O ATOM 2062 CB ILE B 36 11.481 2.578 -0.580 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.357 1.262 0.207 1.00 0.00 C ATOM 2064 CG2 ILE B 36 10.195 3.395 -0.431 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.682 1.516 1.558 1.00 0.00 C ATOM 0 H ILE B 36 12.817 0.580 -1.377 1.00 0.00 H new ATOM 0 HA ILE B 36 10.769 2.284 -2.599 1.00 0.00 H new ATOM 0 HB ILE B 36 12.323 3.147 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.777 0.539 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.345 0.828 0.362 1.00 0.00 H new ATOM 0 HG21 ILE B 36 10.022 3.612 0.623 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.292 4.330 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.354 2.826 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.600 0.577 2.106 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.278 2.222 2.136 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.687 1.930 1.395 1.00 0.00 H new ATOM 2077 N ASN B 37 13.848 3.437 -2.174 1.00 0.00 N ATOM 2078 CA ASN B 37 14.795 4.479 -2.678 1.00 0.00 C ATOM 2079 C ASN B 37 15.208 4.197 -4.128 1.00 0.00 C ATOM 2080 O ASN B 37 15.967 4.942 -4.715 1.00 0.00 O ATOM 2081 CB ASN B 37 16.045 4.479 -1.799 1.00 0.00 C ATOM 2082 CG ASN B 37 16.693 5.864 -1.828 1.00 0.00 C ATOM 2083 OD1 ASN B 37 16.302 6.717 -2.604 1.00 0.00 O ATOM 2084 ND2 ASN B 37 17.674 6.127 -1.011 1.00 0.00 N ATOM 0 H ASN B 37 14.226 2.827 -1.449 1.00 0.00 H new ATOM 0 HA ASN B 37 14.296 5.447 -2.642 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.782 4.211 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.751 3.728 -2.154 1.00 0.00 H new ATOM 0 HD21 ASN B 37 18.114 7.047 -1.022 1.00 0.00 H new ATOM 0 HD22 ASN B 37 18.002 5.413 -0.361 1.00 0.00 H new ATOM 2091 N ASN B 38 14.727 3.138 -4.714 1.00 0.00 N ATOM 2092 CA ASN B 38 15.112 2.835 -6.124 1.00 0.00 C ATOM 2093 C ASN B 38 13.901 3.027 -7.039 1.00 0.00 C ATOM 2094 O ASN B 38 13.789 4.019 -7.732 1.00 0.00 O ATOM 2095 CB ASN B 38 15.613 1.390 -6.225 1.00 0.00 C ATOM 2096 CG ASN B 38 16.200 1.149 -7.618 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.403 1.129 -7.788 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.396 0.962 -8.628 1.00 0.00 N ATOM 0 H ASN B 38 14.087 2.471 -4.283 1.00 0.00 H new ATOM 0 HA ASN B 38 15.908 3.512 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.369 1.202 -5.463 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.793 0.696 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN B 38 15.777 0.799 -9.560 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.386 0.979 -8.486 1.00 0.00 H new ATOM 2105 N GLU B 39 12.989 2.093 -7.044 1.00 0.00 N ATOM 2106 CA GLU B 39 11.790 2.241 -7.914 1.00 0.00 C ATOM 2107 C GLU B 39 11.181 3.627 -7.692 1.00 0.00 C ATOM 2108 O GLU B 39 10.911 4.356 -8.627 1.00 0.00 O ATOM 2109 CB GLU B 39 10.768 1.159 -7.561 1.00 0.00 C ATOM 2110 CG GLU B 39 11.414 -0.221 -7.701 1.00 0.00 C ATOM 2111 CD GLU B 39 10.684 -1.022 -8.780 1.00 0.00 C ATOM 2112 OE1 GLU B 39 9.731 -1.703 -8.439 1.00 0.00 O ATOM 2113 OE2 GLU B 39 11.089 -0.940 -9.927 1.00 0.00 O ATOM 0 H GLU B 39 13.022 1.239 -6.487 1.00 0.00 H new ATOM 0 HA GLU B 39 12.074 2.133 -8.961 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.409 1.302 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.901 1.235 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU B 39 12.467 -0.116 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU B 39 11.373 -0.751 -6.750 1.00 0.00 H new ATOM 2120 N LEU B 40 10.972 4.005 -6.460 1.00 0.00 N ATOM 2121 CA LEU B 40 10.396 5.348 -6.178 1.00 0.00 C ATOM 2122 C LEU B 40 11.540 6.364 -6.063 1.00 0.00 C ATOM 2123 O LEU B 40 12.115 6.766 -7.055 1.00 0.00 O ATOM 2124 CB LEU B 40 9.601 5.294 -4.871 1.00 0.00 C ATOM 2125 CG LEU B 40 8.160 4.877 -5.162 1.00 0.00 C ATOM 2126 CD1 LEU B 40 7.445 4.550 -3.848 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.433 6.025 -5.867 1.00 0.00 C ATOM 0 H LEU B 40 11.176 3.439 -5.636 1.00 0.00 H new ATOM 0 HA LEU B 40 9.727 5.649 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU B 40 10.063 4.586 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.616 6.269 -4.384 1.00 0.00 H new ATOM 0 HG LEU B 40 8.159 3.995 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.417 4.253 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.964 3.734 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.444 5.430 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.405 5.731 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.435 6.906 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.941 6.257 -6.803 1.00 0.00 H new ATOM 2139 N SER B 41 11.889 6.768 -4.863 1.00 0.00 N ATOM 2140 CA SER B 41 13.008 7.742 -4.687 1.00 0.00 C ATOM 2141 C SER B 41 12.521 9.177 -4.935 1.00 0.00 C ATOM 2142 O SER B 41 12.879 10.093 -4.219 1.00 0.00 O ATOM 2143 CB SER B 41 14.138 7.402 -5.662 1.00 0.00 C ATOM 2144 OG SER B 41 14.163 8.360 -6.714 1.00 0.00 O ATOM 0 H SER B 41 11.444 6.463 -3.998 1.00 0.00 H new ATOM 0 HA SER B 41 13.375 7.674 -3.663 1.00 0.00 H new ATOM 0 HB2 SER B 41 15.094 7.396 -5.139 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.992 6.402 -6.070 1.00 0.00 H new ATOM 0 HG SER B 41 13.439 8.170 -7.346 1.00 0.00 H new ATOM 2150 N HIS B 42 11.716 9.388 -5.941 1.00 0.00 N ATOM 2151 CA HIS B 42 11.223 10.765 -6.227 1.00 0.00 C ATOM 2152 C HIS B 42 10.293 11.230 -5.104 1.00 0.00 C ATOM 2153 O HIS B 42 9.982 12.399 -4.988 1.00 0.00 O ATOM 2154 CB HIS B 42 10.460 10.764 -7.553 1.00 0.00 C ATOM 2155 CG HIS B 42 11.436 10.683 -8.695 1.00 0.00 C ATOM 2156 ND1 HIS B 42 12.174 11.778 -9.115 1.00 0.00 N ATOM 2157 CD2 HIS B 42 11.808 9.644 -9.512 1.00 0.00 C ATOM 2158 CE1 HIS B 42 12.946 11.377 -10.143 1.00 0.00 C ATOM 2159 NE2 HIS B 42 12.761 10.084 -10.425 1.00 0.00 N ATOM 0 H HIS B 42 11.379 8.666 -6.577 1.00 0.00 H new ATOM 0 HA HIS B 42 12.072 11.445 -6.292 1.00 0.00 H new ATOM 0 HB2 HIS B 42 9.772 9.919 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS B 42 9.858 11.669 -7.639 1.00 0.00 H new ATOM 0 HD2 HIS B 42 11.420 8.638 -9.455 1.00 0.00 H new ATOM 0 HE1 HIS B 42 13.631 12.021 -10.674 1.00 0.00 H new ATOM 0 HE2 HIS B 42 13.220 9.537 -11.153 1.00 0.00 H new ATOM 2167 N PHE B 43 9.842 10.325 -4.277 1.00 0.00 N ATOM 2168 CA PHE B 43 8.927 10.723 -3.169 1.00 0.00 C ATOM 2169 C PHE B 43 9.664 10.635 -1.831 1.00 0.00 C ATOM 2170 O PHE B 43 9.150 10.113 -0.862 1.00 0.00 O ATOM 2171 CB PHE B 43 7.718 9.786 -3.148 1.00 0.00 C ATOM 2172 CG PHE B 43 6.725 10.230 -4.194 1.00 0.00 C ATOM 2173 CD1 PHE B 43 6.967 9.964 -5.547 1.00 0.00 C ATOM 2174 CD2 PHE B 43 5.565 10.911 -3.812 1.00 0.00 C ATOM 2175 CE1 PHE B 43 6.048 10.378 -6.517 1.00 0.00 C ATOM 2176 CE2 PHE B 43 4.645 11.327 -4.783 1.00 0.00 C ATOM 2177 CZ PHE B 43 4.887 11.060 -6.135 1.00 0.00 C ATOM 0 H PHE B 43 10.067 9.331 -4.321 1.00 0.00 H new ATOM 0 HA PHE B 43 8.593 11.748 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE B 43 8.034 8.761 -3.342 1.00 0.00 H new ATOM 0 HB3 PHE B 43 7.253 9.795 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE B 43 7.864 9.439 -5.842 1.00 0.00 H new ATOM 0 HD2 PHE B 43 5.378 11.116 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE B 43 6.234 10.171 -7.561 1.00 0.00 H new ATOM 0 HE2 PHE B 43 3.749 11.854 -4.488 1.00 0.00 H new ATOM 0 HZ PHE B 43 4.178 11.380 -6.884 1.00 0.00 H new ATOM 2187 N LEU B 44 10.862 11.144 -1.770 1.00 0.00 N ATOM 2188 CA LEU B 44 11.630 11.091 -0.492 1.00 0.00 C ATOM 2189 C LEU B 44 12.119 12.499 -0.133 1.00 0.00 C ATOM 2190 O LEU B 44 12.669 12.726 0.925 1.00 0.00 O ATOM 2191 CB LEU B 44 12.830 10.148 -0.668 1.00 0.00 C ATOM 2192 CG LEU B 44 13.522 9.878 0.678 1.00 0.00 C ATOM 2193 CD1 LEU B 44 14.528 10.991 0.972 1.00 0.00 C ATOM 2194 CD2 LEU B 44 12.487 9.813 1.808 1.00 0.00 C ATOM 0 H LEU B 44 11.344 11.594 -2.548 1.00 0.00 H new ATOM 0 HA LEU B 44 10.992 10.721 0.311 1.00 0.00 H new ATOM 0 HB2 LEU B 44 12.496 9.207 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU B 44 13.543 10.588 -1.366 1.00 0.00 H new ATOM 0 HG LEU B 44 14.041 8.921 0.619 1.00 0.00 H new ATOM 0 HD11 LEU B 44 15.017 10.797 1.927 1.00 0.00 H new ATOM 0 HD12 LEU B 44 15.277 11.023 0.181 1.00 0.00 H new ATOM 0 HD13 LEU B 44 14.008 11.948 1.019 1.00 0.00 H new ATOM 0 HD21 LEU B 44 12.993 9.621 2.754 1.00 0.00 H new ATOM 0 HD22 LEU B 44 11.953 10.762 1.868 1.00 0.00 H new ATOM 0 HD23 LEU B 44 11.778 9.010 1.606 1.00 0.00 H new ATOM 2206 N GLU B 45 11.920 13.451 -1.004 1.00 0.00 N ATOM 2207 CA GLU B 45 12.377 14.839 -0.712 1.00 0.00 C ATOM 2208 C GLU B 45 11.177 15.709 -0.330 1.00 0.00 C ATOM 2209 O GLU B 45 11.247 16.922 -0.353 1.00 0.00 O ATOM 2210 CB GLU B 45 13.057 15.424 -1.951 1.00 0.00 C ATOM 2211 CG GLU B 45 12.060 15.464 -3.111 1.00 0.00 C ATOM 2212 CD GLU B 45 12.784 15.872 -4.396 1.00 0.00 C ATOM 2213 OE1 GLU B 45 13.997 15.748 -4.432 1.00 0.00 O ATOM 2214 OE2 GLU B 45 12.114 16.301 -5.320 1.00 0.00 O ATOM 0 H GLU B 45 11.460 13.327 -1.906 1.00 0.00 H new ATOM 0 HA GLU B 45 13.085 14.818 0.117 1.00 0.00 H new ATOM 0 HB2 GLU B 45 13.423 16.428 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU B 45 13.923 14.820 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.595 14.486 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.260 16.171 -2.892 1.00 0.00 H new ATOM 2221 N GLU B 46 10.081 15.101 0.024 1.00 0.00 N ATOM 2222 CA GLU B 46 8.882 15.897 0.410 1.00 0.00 C ATOM 2223 C GLU B 46 8.060 15.110 1.431 1.00 0.00 C ATOM 2224 O GLU B 46 7.108 14.437 1.089 1.00 0.00 O ATOM 2225 CB GLU B 46 8.029 16.175 -0.830 1.00 0.00 C ATOM 2226 CG GLU B 46 7.611 14.851 -1.472 1.00 0.00 C ATOM 2227 CD GLU B 46 8.316 14.694 -2.821 1.00 0.00 C ATOM 2228 OE1 GLU B 46 9.526 14.543 -2.821 1.00 0.00 O ATOM 2229 OE2 GLU B 46 7.633 14.727 -3.832 1.00 0.00 O ATOM 0 H GLU B 46 9.962 14.089 0.063 1.00 0.00 H new ATOM 0 HA GLU B 46 9.199 16.843 0.848 1.00 0.00 H new ATOM 0 HB2 GLU B 46 7.146 16.752 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU B 46 8.592 16.775 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU B 46 7.868 14.019 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU B 46 6.530 14.826 -1.609 1.00 0.00 H new ATOM 2236 N ILE B 47 8.422 15.185 2.681 1.00 0.00 N ATOM 2237 CA ILE B 47 7.665 14.439 3.724 1.00 0.00 C ATOM 2238 C ILE B 47 7.772 15.182 5.059 1.00 0.00 C ATOM 2239 O ILE B 47 8.823 15.668 5.427 1.00 0.00 O ATOM 2240 CB ILE B 47 8.250 13.027 3.862 1.00 0.00 C ATOM 2241 CG1 ILE B 47 7.736 12.148 2.720 1.00 0.00 C ATOM 2242 CG2 ILE B 47 7.826 12.410 5.199 1.00 0.00 C ATOM 2243 CD1 ILE B 47 8.773 12.116 1.596 1.00 0.00 C ATOM 0 H ILE B 47 9.211 15.732 3.026 1.00 0.00 H new ATOM 0 HA ILE B 47 6.616 14.367 3.438 1.00 0.00 H new ATOM 0 HB ILE B 47 9.337 13.089 3.822 1.00 0.00 H new ATOM 0 HG12 ILE B 47 7.545 11.138 3.082 1.00 0.00 H new ATOM 0 HG13 ILE B 47 6.789 12.537 2.345 1.00 0.00 H new ATOM 0 HG21 ILE B 47 8.246 11.408 5.287 1.00 0.00 H new ATOM 0 HG22 ILE B 47 8.191 13.030 6.018 1.00 0.00 H new ATOM 0 HG23 ILE B 47 6.738 12.352 5.245 1.00 0.00 H new ATOM 0 HD11 ILE B 47 8.408 11.490 0.782 1.00 0.00 H new ATOM 0 HD12 ILE B 47 8.942 13.128 1.228 1.00 0.00 H new ATOM 0 HD13 ILE B 47 9.709 11.707 1.976 1.00 0.00 H new ATOM 2255 N LYS B 48 6.693 15.269 5.790 1.00 0.00 N ATOM 2256 CA LYS B 48 6.737 15.971 7.102 1.00 0.00 C ATOM 2257 C LYS B 48 6.868 14.932 8.215 1.00 0.00 C ATOM 2258 O LYS B 48 7.302 15.229 9.310 1.00 0.00 O ATOM 2259 CB LYS B 48 5.451 16.776 7.302 1.00 0.00 C ATOM 2260 CG LYS B 48 5.640 17.763 8.456 1.00 0.00 C ATOM 2261 CD LYS B 48 4.683 18.943 8.281 1.00 0.00 C ATOM 2262 CE LYS B 48 3.311 18.575 8.845 1.00 0.00 C ATOM 2263 NZ LYS B 48 2.253 18.978 7.877 1.00 0.00 N ATOM 0 H LYS B 48 5.784 14.884 5.534 1.00 0.00 H new ATOM 0 HA LYS B 48 7.589 16.650 7.126 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.200 17.313 6.387 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.619 16.105 7.516 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.451 17.266 9.408 1.00 0.00 H new ATOM 0 HG3 LYS B 48 6.670 18.117 8.480 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.075 19.822 8.793 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.597 19.201 7.226 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.258 17.502 9.032 1.00 0.00 H new ATOM 0 HE3 LYS B 48 3.153 19.074 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 1.319 18.728 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 2.299 20.005 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 2.401 18.483 6.975 1.00 0.00 H new ATOM 2277 N GLU B 49 6.501 13.710 7.940 1.00 0.00 N ATOM 2278 CA GLU B 49 6.610 12.649 8.978 1.00 0.00 C ATOM 2279 C GLU B 49 8.030 12.087 8.970 1.00 0.00 C ATOM 2280 O GLU B 49 8.258 10.957 8.587 1.00 0.00 O ATOM 2281 CB GLU B 49 5.621 11.520 8.676 1.00 0.00 C ATOM 2282 CG GLU B 49 4.345 11.728 9.491 1.00 0.00 C ATOM 2283 CD GLU B 49 4.605 11.350 10.951 1.00 0.00 C ATOM 2284 OE1 GLU B 49 5.748 11.070 11.274 1.00 0.00 O ATOM 2285 OE2 GLU B 49 3.659 11.346 11.719 1.00 0.00 O ATOM 0 H GLU B 49 6.131 13.402 7.041 1.00 0.00 H new ATOM 0 HA GLU B 49 6.381 13.075 9.955 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.387 11.503 7.612 1.00 0.00 H new ATOM 0 HB3 GLU B 49 6.068 10.556 8.920 1.00 0.00 H new ATOM 0 HG2 GLU B 49 4.024 12.768 9.425 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.538 11.119 9.085 1.00 0.00 H new ATOM 2292 N GLN B 50 8.988 12.866 9.387 1.00 0.00 N ATOM 2293 CA GLN B 50 10.389 12.367 9.399 1.00 0.00 C ATOM 2294 C GLN B 50 10.448 11.049 10.170 1.00 0.00 C ATOM 2295 O GLN B 50 11.350 10.261 9.997 1.00 0.00 O ATOM 2296 CB GLN B 50 11.294 13.396 10.081 1.00 0.00 C ATOM 2297 CG GLN B 50 12.696 12.806 10.256 1.00 0.00 C ATOM 2298 CD GLN B 50 13.685 13.929 10.571 1.00 0.00 C ATOM 2299 OE1 GLN B 50 13.387 14.818 11.343 1.00 0.00 O ATOM 2300 NE2 GLN B 50 14.860 13.925 10.002 1.00 0.00 N ATOM 0 H GLN B 50 8.862 13.822 9.719 1.00 0.00 H new ATOM 0 HA GLN B 50 10.728 12.209 8.375 1.00 0.00 H new ATOM 0 HB2 GLN B 50 11.343 14.306 9.483 1.00 0.00 H new ATOM 0 HB3 GLN B 50 10.881 13.673 11.051 1.00 0.00 H new ATOM 0 HG2 GLN B 50 12.695 12.071 11.061 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.999 12.284 9.348 1.00 0.00 H new ATOM 0 HE21 GLN B 50 15.110 13.178 9.354 1.00 0.00 H new ATOM 0 HE22 GLN B 50 15.528 14.669 10.206 1.00 0.00 H new ATOM 2309 N GLU B 51 9.492 10.804 11.023 1.00 0.00 N ATOM 2310 CA GLU B 51 9.504 9.536 11.805 1.00 0.00 C ATOM 2311 C GLU B 51 8.969 8.387 10.948 1.00 0.00 C ATOM 2312 O GLU B 51 9.414 7.263 11.061 1.00 0.00 O ATOM 2313 CB GLU B 51 8.627 9.695 13.048 1.00 0.00 C ATOM 2314 CG GLU B 51 9.488 9.559 14.306 1.00 0.00 C ATOM 2315 CD GLU B 51 8.618 9.777 15.545 1.00 0.00 C ATOM 2316 OE1 GLU B 51 7.414 9.609 15.436 1.00 0.00 O ATOM 2317 OE2 GLU B 51 9.168 10.109 16.581 1.00 0.00 O ATOM 0 H GLU B 51 8.705 11.425 11.212 1.00 0.00 H new ATOM 0 HA GLU B 51 10.528 9.312 12.104 1.00 0.00 H new ATOM 0 HB2 GLU B 51 8.135 10.667 13.036 1.00 0.00 H new ATOM 0 HB3 GLU B 51 7.841 8.940 13.050 1.00 0.00 H new ATOM 0 HG2 GLU B 51 9.947 8.571 14.340 1.00 0.00 H new ATOM 0 HG3 GLU B 51 10.299 10.287 14.285 1.00 0.00 H new ATOM 2324 N VAL B 52 8.016 8.650 10.098 1.00 0.00 N ATOM 2325 CA VAL B 52 7.462 7.557 9.249 1.00 0.00 C ATOM 2326 C VAL B 52 8.510 7.119 8.226 1.00 0.00 C ATOM 2327 O VAL B 52 8.764 5.944 8.051 1.00 0.00 O ATOM 2328 CB VAL B 52 6.212 8.058 8.521 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.614 6.932 7.678 1.00 0.00 C ATOM 2330 CG2 VAL B 52 5.178 8.512 9.547 1.00 0.00 C ATOM 0 H VAL B 52 7.598 9.569 9.954 1.00 0.00 H new ATOM 0 HA VAL B 52 7.198 6.708 9.880 1.00 0.00 H new ATOM 0 HB VAL B 52 6.486 8.891 7.873 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.725 7.296 7.163 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.347 6.598 6.944 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.343 6.098 8.325 1.00 0.00 H new ATOM 0 HG21 VAL B 52 4.287 8.869 9.032 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.913 7.674 10.192 1.00 0.00 H new ATOM 0 HG23 VAL B 52 5.595 9.317 10.152 1.00 0.00 H new ATOM 2340 N VAL B 53 9.124 8.050 7.549 1.00 0.00 N ATOM 2341 CA VAL B 53 10.152 7.668 6.542 1.00 0.00 C ATOM 2342 C VAL B 53 11.447 7.290 7.257 1.00 0.00 C ATOM 2343 O VAL B 53 12.174 6.420 6.821 1.00 0.00 O ATOM 2344 CB VAL B 53 10.412 8.845 5.598 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.669 8.565 4.771 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.216 9.021 4.660 1.00 0.00 C ATOM 0 H VAL B 53 8.960 9.052 7.649 1.00 0.00 H new ATOM 0 HA VAL B 53 9.793 6.816 5.964 1.00 0.00 H new ATOM 0 HB VAL B 53 10.554 9.755 6.182 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.856 9.402 4.098 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.522 8.438 5.437 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.526 7.656 4.188 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.401 9.859 3.988 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.075 8.112 4.076 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.319 9.218 5.247 1.00 0.00 H new ATOM 2356 N ASP B 54 11.743 7.931 8.352 1.00 0.00 N ATOM 2357 CA ASP B 54 12.990 7.595 9.085 1.00 0.00 C ATOM 2358 C ASP B 54 12.758 6.339 9.922 1.00 0.00 C ATOM 2359 O ASP B 54 13.688 5.721 10.389 1.00 0.00 O ATOM 2360 CB ASP B 54 13.388 8.752 10.002 1.00 0.00 C ATOM 2361 CG ASP B 54 14.785 8.496 10.572 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.876 7.823 11.584 1.00 0.00 O ATOM 2363 OD2 ASP B 54 15.739 8.980 9.985 1.00 0.00 O ATOM 0 H ASP B 54 11.177 8.670 8.769 1.00 0.00 H new ATOM 0 HA ASP B 54 13.792 7.419 8.368 1.00 0.00 H new ATOM 0 HB2 ASP B 54 13.377 9.690 9.447 1.00 0.00 H new ATOM 0 HB3 ASP B 54 12.666 8.852 10.812 1.00 0.00 H new ATOM 2368 N LYS B 55 11.527 5.946 10.112 1.00 0.00 N ATOM 2369 CA LYS B 55 11.273 4.718 10.915 1.00 0.00 C ATOM 2370 C LYS B 55 11.502 3.498 10.024 1.00 0.00 C ATOM 2371 O LYS B 55 12.048 2.499 10.449 1.00 0.00 O ATOM 2372 CB LYS B 55 9.836 4.722 11.440 1.00 0.00 C ATOM 2373 CG LYS B 55 9.535 3.377 12.108 1.00 0.00 C ATOM 2374 CD LYS B 55 8.760 2.484 11.137 1.00 0.00 C ATOM 2375 CE LYS B 55 7.880 1.512 11.926 1.00 0.00 C ATOM 2376 NZ LYS B 55 8.731 0.684 12.829 1.00 0.00 N ATOM 0 H LYS B 55 10.697 6.416 9.751 1.00 0.00 H new ATOM 0 HA LYS B 55 11.951 4.686 11.768 1.00 0.00 H new ATOM 0 HB2 LYS B 55 9.700 5.534 12.155 1.00 0.00 H new ATOM 0 HB3 LYS B 55 9.138 4.898 10.621 1.00 0.00 H new ATOM 0 HG2 LYS B 55 10.464 2.890 12.403 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.954 3.533 13.017 1.00 0.00 H new ATOM 0 HD2 LYS B 55 8.144 3.095 10.478 1.00 0.00 H new ATOM 0 HD3 LYS B 55 9.453 1.931 10.503 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.144 2.065 12.510 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.327 0.869 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.195 -0.151 13.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 9.583 0.377 12.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 9.009 1.248 13.658 1.00 0.00 H new ATOM 2390 N VAL B 56 11.114 3.577 8.784 1.00 0.00 N ATOM 2391 CA VAL B 56 11.350 2.429 7.872 1.00 0.00 C ATOM 2392 C VAL B 56 12.791 2.509 7.381 1.00 0.00 C ATOM 2393 O VAL B 56 13.441 1.513 7.134 1.00 0.00 O ATOM 2394 CB VAL B 56 10.395 2.510 6.684 1.00 0.00 C ATOM 2395 CG1 VAL B 56 9.020 1.988 7.098 1.00 0.00 C ATOM 2396 CG2 VAL B 56 10.267 3.962 6.218 1.00 0.00 C ATOM 0 H VAL B 56 10.647 4.381 8.365 1.00 0.00 H new ATOM 0 HA VAL B 56 11.178 1.487 8.393 1.00 0.00 H new ATOM 0 HB VAL B 56 10.787 1.903 5.868 1.00 0.00 H new ATOM 0 HG11 VAL B 56 8.338 2.046 6.250 1.00 0.00 H new ATOM 0 HG12 VAL B 56 9.107 0.951 7.423 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.632 2.594 7.917 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.584 4.013 5.370 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.879 4.573 7.033 1.00 0.00 H new ATOM 0 HG23 VAL B 56 11.246 4.336 5.918 1.00 0.00 H new ATOM 2406 N MET B 57 13.284 3.705 7.248 1.00 0.00 N ATOM 2407 CA MET B 57 14.680 3.907 6.783 1.00 0.00 C ATOM 2408 C MET B 57 15.643 3.646 7.943 1.00 0.00 C ATOM 2409 O MET B 57 16.795 3.333 7.742 1.00 0.00 O ATOM 2410 CB MET B 57 14.838 5.351 6.310 1.00 0.00 C ATOM 2411 CG MET B 57 16.193 5.523 5.625 1.00 0.00 C ATOM 2412 SD MET B 57 15.945 5.959 3.886 1.00 0.00 S ATOM 2413 CE MET B 57 14.656 4.742 3.526 1.00 0.00 C ATOM 0 H MET B 57 12.771 4.564 7.445 1.00 0.00 H new ATOM 0 HA MET B 57 14.902 3.221 5.965 1.00 0.00 H new ATOM 0 HB2 MET B 57 14.035 5.607 5.619 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.759 6.032 7.157 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.769 6.301 6.127 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.769 4.601 5.700 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.645 4.529 2.457 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.859 3.824 4.077 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.686 5.139 3.827 1.00 0.00 H new ATOM 2423 N GLU B 58 15.180 3.776 9.158 1.00 0.00 N ATOM 2424 CA GLU B 58 16.083 3.524 10.319 1.00 0.00 C ATOM 2425 C GLU B 58 16.183 2.017 10.553 1.00 0.00 C ATOM 2426 O GLU B 58 17.254 1.486 10.759 1.00 0.00 O ATOM 2427 CB GLU B 58 15.540 4.211 11.579 1.00 0.00 C ATOM 2428 CG GLU B 58 14.193 3.611 11.965 1.00 0.00 C ATOM 2429 CD GLU B 58 13.686 4.281 13.243 1.00 0.00 C ATOM 2430 OE1 GLU B 58 14.415 5.089 13.793 1.00 0.00 O ATOM 2431 OE2 GLU B 58 12.576 3.979 13.646 1.00 0.00 O ATOM 0 H GLU B 58 14.225 4.043 9.396 1.00 0.00 H new ATOM 0 HA GLU B 58 17.070 3.932 10.102 1.00 0.00 H new ATOM 0 HB2 GLU B 58 16.247 4.094 12.400 1.00 0.00 H new ATOM 0 HB3 GLU B 58 15.432 5.281 11.401 1.00 0.00 H new ATOM 0 HG2 GLU B 58 13.475 3.752 11.158 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.292 2.536 12.119 1.00 0.00 H new ATOM 2438 N THR B 59 15.082 1.316 10.505 1.00 0.00 N ATOM 2439 CA THR B 59 15.143 -0.158 10.705 1.00 0.00 C ATOM 2440 C THR B 59 15.787 -0.772 9.467 1.00 0.00 C ATOM 2441 O THR B 59 16.426 -1.805 9.519 1.00 0.00 O ATOM 2442 CB THR B 59 13.729 -0.715 10.880 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.885 0.299 11.407 1.00 0.00 O ATOM 2444 CG2 THR B 59 13.764 -1.906 11.839 1.00 0.00 C ATOM 0 H THR B 59 14.151 1.697 10.337 1.00 0.00 H new ATOM 0 HA THR B 59 15.724 -0.397 11.596 1.00 0.00 H new ATOM 0 HB THR B 59 13.343 -1.042 9.914 1.00 0.00 H new ATOM 0 HG1 THR B 59 12.473 0.797 10.670 1.00 0.00 H new ATOM 0 HG21 THR B 59 12.756 -2.303 11.963 1.00 0.00 H new ATOM 0 HG22 THR B 59 14.412 -2.682 11.432 1.00 0.00 H new ATOM 0 HG23 THR B 59 14.149 -1.583 12.806 1.00 0.00 H new ATOM 2452 N LEU B 60 15.619 -0.120 8.351 1.00 0.00 N ATOM 2453 CA LEU B 60 16.207 -0.616 7.082 1.00 0.00 C ATOM 2454 C LEU B 60 17.730 -0.470 7.138 1.00 0.00 C ATOM 2455 O LEU B 60 18.467 -1.414 6.932 1.00 0.00 O ATOM 2456 CB LEU B 60 15.654 0.230 5.932 1.00 0.00 C ATOM 2457 CG LEU B 60 14.388 -0.426 5.375 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.719 0.522 4.377 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.756 -1.732 4.669 1.00 0.00 C ATOM 0 H LEU B 60 15.091 0.748 8.266 1.00 0.00 H new ATOM 0 HA LEU B 60 15.953 -1.665 6.932 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.430 1.237 6.283 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.402 0.326 5.145 1.00 0.00 H new ATOM 0 HG LEU B 60 13.700 -0.638 6.193 1.00 0.00 H new ATOM 0 HD11 LEU B 60 12.817 0.055 3.980 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.455 1.452 4.880 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.408 0.735 3.559 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.854 -2.198 4.273 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.445 -1.522 3.851 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.232 -2.408 5.379 1.00 0.00 H new ATOM 2471 N ASP B 61 18.200 0.716 7.416 1.00 0.00 N ATOM 2472 CA ASP B 61 19.671 0.950 7.488 1.00 0.00 C ATOM 2473 C ASP B 61 20.205 0.486 8.845 1.00 0.00 C ATOM 2474 O ASP B 61 21.398 0.442 9.068 1.00 0.00 O ATOM 2475 CB ASP B 61 19.949 2.446 7.319 1.00 0.00 C ATOM 2476 CG ASP B 61 21.335 2.644 6.703 1.00 0.00 C ATOM 2477 OD1 ASP B 61 21.427 2.636 5.486 1.00 0.00 O ATOM 2478 OD2 ASP B 61 22.279 2.800 7.458 1.00 0.00 O ATOM 0 H ASP B 61 17.624 1.538 7.597 1.00 0.00 H new ATOM 0 HA ASP B 61 20.167 0.388 6.696 1.00 0.00 H new ATOM 0 HB2 ASP B 61 19.189 2.898 6.682 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.894 2.948 8.285 1.00 0.00 H new ATOM 2483 N GLU B 62 19.336 0.147 9.756 1.00 0.00 N ATOM 2484 CA GLU B 62 19.802 -0.304 11.097 1.00 0.00 C ATOM 2485 C GLU B 62 20.433 -1.692 10.981 1.00 0.00 C ATOM 2486 O GLU B 62 21.616 -1.868 11.190 1.00 0.00 O ATOM 2487 CB GLU B 62 18.615 -0.358 12.063 1.00 0.00 C ATOM 2488 CG GLU B 62 19.006 -1.133 13.323 1.00 0.00 C ATOM 2489 CD GLU B 62 18.259 -0.559 14.527 1.00 0.00 C ATOM 2490 OE1 GLU B 62 18.753 0.391 15.109 1.00 0.00 O ATOM 2491 OE2 GLU B 62 17.202 -1.079 14.845 1.00 0.00 O ATOM 0 H GLU B 62 18.324 0.163 9.630 1.00 0.00 H new ATOM 0 HA GLU B 62 20.544 0.399 11.476 1.00 0.00 H new ATOM 0 HB2 GLU B 62 18.304 0.653 12.328 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.763 -0.837 11.580 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.766 -2.189 13.202 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.082 -1.067 13.484 1.00 0.00 H new ATOM 2498 N ASP B 63 19.651 -2.679 10.653 1.00 0.00 N ATOM 2499 CA ASP B 63 20.206 -4.056 10.526 1.00 0.00 C ATOM 2500 C ASP B 63 20.812 -4.240 9.135 1.00 0.00 C ATOM 2501 O ASP B 63 21.978 -4.545 8.989 1.00 0.00 O ATOM 2502 CB ASP B 63 19.088 -5.079 10.737 1.00 0.00 C ATOM 2503 CG ASP B 63 19.684 -6.381 11.276 1.00 0.00 C ATOM 2504 OD1 ASP B 63 20.364 -7.056 10.520 1.00 0.00 O ATOM 2505 OD2 ASP B 63 19.454 -6.681 12.435 1.00 0.00 O ATOM 0 H ASP B 63 18.652 -2.594 10.467 1.00 0.00 H new ATOM 0 HA ASP B 63 20.980 -4.204 11.279 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.349 -4.688 11.437 1.00 0.00 H new ATOM 0 HB3 ASP B 63 18.569 -5.266 9.797 1.00 0.00 H new ATOM 2510 N GLY B 64 20.025 -4.061 8.113 1.00 0.00 N ATOM 2511 CA GLY B 64 20.545 -4.228 6.726 1.00 0.00 C ATOM 2512 C GLY B 64 20.484 -5.707 6.328 1.00 0.00 C ATOM 2513 O GLY B 64 20.579 -6.049 5.165 1.00 0.00 O ATOM 0 H GLY B 64 19.040 -3.805 8.177 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.955 -3.630 6.031 1.00 0.00 H new ATOM 0 HA3 GLY B 64 21.572 -3.867 6.666 1.00 0.00 H new ATOM 2517 N ASP B 65 20.331 -6.586 7.281 1.00 0.00 N ATOM 2518 CA ASP B 65 20.268 -8.039 6.959 1.00 0.00 C ATOM 2519 C ASP B 65 19.091 -8.678 7.700 1.00 0.00 C ATOM 2520 O ASP B 65 19.268 -9.384 8.673 1.00 0.00 O ATOM 2521 CB ASP B 65 21.570 -8.704 7.402 1.00 0.00 C ATOM 2522 CG ASP B 65 21.772 -10.006 6.624 1.00 0.00 C ATOM 2523 OD1 ASP B 65 22.029 -9.928 5.435 1.00 0.00 O ATOM 2524 OD2 ASP B 65 21.667 -11.059 7.232 1.00 0.00 O ATOM 0 H ASP B 65 20.247 -6.359 8.272 1.00 0.00 H new ATOM 0 HA ASP B 65 20.132 -8.172 5.886 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.410 -8.032 7.230 1.00 0.00 H new ATOM 0 HB3 ASP B 65 21.540 -8.909 8.472 1.00 0.00 H new ATOM 2529 N GLY B 66 17.892 -8.439 7.245 1.00 0.00 N ATOM 2530 CA GLY B 66 16.708 -9.035 7.923 1.00 0.00 C ATOM 2531 C GLY B 66 15.695 -9.497 6.873 1.00 0.00 C ATOM 2532 O GLY B 66 15.734 -9.078 5.733 1.00 0.00 O ATOM 0 H GLY B 66 17.682 -7.857 6.434 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.016 -9.878 8.541 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.250 -8.303 8.588 1.00 0.00 H new ATOM 2536 N GLU B 67 14.792 -10.362 7.246 1.00 0.00 N ATOM 2537 CA GLU B 67 13.784 -10.856 6.266 1.00 0.00 C ATOM 2538 C GLU B 67 12.478 -10.074 6.418 1.00 0.00 C ATOM 2539 O GLU B 67 12.122 -9.641 7.495 1.00 0.00 O ATOM 2540 CB GLU B 67 13.517 -12.343 6.515 1.00 0.00 C ATOM 2541 CG GLU B 67 14.701 -13.169 6.007 1.00 0.00 C ATOM 2542 CD GLU B 67 15.385 -13.861 7.187 1.00 0.00 C ATOM 2543 OE1 GLU B 67 15.488 -13.240 8.233 1.00 0.00 O ATOM 2544 OE2 GLU B 67 15.793 -15.001 7.027 1.00 0.00 O ATOM 0 H GLU B 67 14.709 -10.748 8.187 1.00 0.00 H new ATOM 0 HA GLU B 67 14.170 -10.715 5.256 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.365 -12.522 7.579 1.00 0.00 H new ATOM 0 HB3 GLU B 67 12.602 -12.649 6.007 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.358 -13.911 5.286 1.00 0.00 H new ATOM 0 HG3 GLU B 67 15.411 -12.525 5.488 1.00 0.00 H new ATOM 2551 N CYS B 68 11.758 -9.899 5.343 1.00 0.00 N ATOM 2552 CA CYS B 68 10.468 -9.153 5.420 1.00 0.00 C ATOM 2553 C CYS B 68 9.368 -10.000 4.779 1.00 0.00 C ATOM 2554 O CYS B 68 9.627 -11.052 4.227 1.00 0.00 O ATOM 2555 CB CYS B 68 10.587 -7.823 4.672 1.00 0.00 C ATOM 2556 SG CYS B 68 12.254 -7.150 4.883 1.00 0.00 S ATOM 0 H CYS B 68 12.007 -10.240 4.415 1.00 0.00 H new ATOM 0 HA CYS B 68 10.226 -8.952 6.464 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.375 -7.970 3.613 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.849 -7.115 5.049 1.00 0.00 H new ATOM 0 HG CYS B 68 12.351 -6.022 4.244 1.00 0.00 H new ATOM 2562 N ASP B 69 8.142 -9.557 4.847 1.00 0.00 N ATOM 2563 CA ASP B 69 7.039 -10.354 4.242 1.00 0.00 C ATOM 2564 C ASP B 69 6.317 -9.528 3.176 1.00 0.00 C ATOM 2565 O ASP B 69 6.891 -8.657 2.549 1.00 0.00 O ATOM 2566 CB ASP B 69 6.044 -10.758 5.332 1.00 0.00 C ATOM 2567 CG ASP B 69 6.800 -11.330 6.533 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.442 -12.354 6.371 1.00 0.00 O ATOM 2569 OD2 ASP B 69 6.722 -10.735 7.595 1.00 0.00 O ATOM 0 H ASP B 69 7.858 -8.684 5.292 1.00 0.00 H new ATOM 0 HA ASP B 69 7.459 -11.246 3.778 1.00 0.00 H new ATOM 0 HB2 ASP B 69 5.455 -9.894 5.639 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.345 -11.499 4.944 1.00 0.00 H new ATOM 2574 N PHE B 70 5.060 -9.805 2.958 1.00 0.00 N ATOM 2575 CA PHE B 70 4.292 -9.053 1.924 1.00 0.00 C ATOM 2576 C PHE B 70 3.590 -7.856 2.561 1.00 0.00 C ATOM 2577 O PHE B 70 3.689 -6.744 2.084 1.00 0.00 O ATOM 2578 CB PHE B 70 3.247 -9.978 1.301 1.00 0.00 C ATOM 2579 CG PHE B 70 3.929 -10.959 0.380 1.00 0.00 C ATOM 2580 CD1 PHE B 70 4.461 -12.149 0.893 1.00 0.00 C ATOM 2581 CD2 PHE B 70 4.026 -10.679 -0.988 1.00 0.00 C ATOM 2582 CE1 PHE B 70 5.091 -13.059 0.035 1.00 0.00 C ATOM 2583 CE2 PHE B 70 4.656 -11.588 -1.844 1.00 0.00 C ATOM 2584 CZ PHE B 70 5.188 -12.778 -1.333 1.00 0.00 C ATOM 0 H PHE B 70 4.530 -10.522 3.453 1.00 0.00 H new ATOM 0 HA PHE B 70 4.979 -8.697 1.156 1.00 0.00 H new ATOM 0 HB2 PHE B 70 2.706 -10.512 2.082 1.00 0.00 H new ATOM 0 HB3 PHE B 70 2.512 -9.393 0.747 1.00 0.00 H new ATOM 0 HD1 PHE B 70 4.385 -12.364 1.949 1.00 0.00 H new ATOM 0 HD2 PHE B 70 3.615 -9.762 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE B 70 5.502 -13.977 0.428 1.00 0.00 H new ATOM 0 HE2 PHE B 70 4.732 -11.372 -2.899 1.00 0.00 H new ATOM 0 HZ PHE B 70 5.674 -13.480 -1.995 1.00 0.00 H new ATOM 2594 N GLN B 71 2.875 -8.069 3.629 1.00 0.00 N ATOM 2595 CA GLN B 71 2.171 -6.932 4.282 1.00 0.00 C ATOM 2596 C GLN B 71 3.210 -5.989 4.885 1.00 0.00 C ATOM 2597 O GLN B 71 2.921 -4.855 5.207 1.00 0.00 O ATOM 2598 CB GLN B 71 1.250 -7.460 5.381 1.00 0.00 C ATOM 2599 CG GLN B 71 0.399 -8.603 4.823 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.766 -8.879 5.774 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.929 -9.986 6.249 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -1.588 -7.912 6.073 1.00 0.00 N ATOM 0 H GLN B 71 2.748 -8.977 4.076 1.00 0.00 H new ATOM 0 HA GLN B 71 1.571 -6.396 3.546 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.840 -7.811 6.228 1.00 0.00 H new ATOM 0 HB3 GLN B 71 0.608 -6.660 5.749 1.00 0.00 H new ATOM 0 HG2 GLN B 71 0.022 -8.341 3.834 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.007 -9.500 4.705 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -1.450 -6.984 5.674 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -2.369 -8.084 6.706 1.00 0.00 H new ATOM 2611 N GLU B 72 4.422 -6.448 5.032 1.00 0.00 N ATOM 2612 CA GLU B 72 5.480 -5.573 5.596 1.00 0.00 C ATOM 2613 C GLU B 72 6.024 -4.679 4.480 1.00 0.00 C ATOM 2614 O GLU B 72 5.962 -3.467 4.552 1.00 0.00 O ATOM 2615 CB GLU B 72 6.603 -6.442 6.169 1.00 0.00 C ATOM 2616 CG GLU B 72 6.295 -6.778 7.630 1.00 0.00 C ATOM 2617 CD GLU B 72 7.444 -6.301 8.519 1.00 0.00 C ATOM 2618 OE1 GLU B 72 7.518 -5.108 8.768 1.00 0.00 O ATOM 2619 OE2 GLU B 72 8.230 -7.136 8.936 1.00 0.00 O ATOM 0 H GLU B 72 4.723 -7.391 4.785 1.00 0.00 H new ATOM 0 HA GLU B 72 5.072 -4.952 6.393 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.701 -7.358 5.587 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.555 -5.917 6.099 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.364 -6.301 7.935 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.155 -7.853 7.745 1.00 0.00 H new ATOM 2626 N PHE B 73 6.542 -5.273 3.441 1.00 0.00 N ATOM 2627 CA PHE B 73 7.077 -4.470 2.306 1.00 0.00 C ATOM 2628 C PHE B 73 5.923 -3.668 1.692 1.00 0.00 C ATOM 2629 O PHE B 73 6.123 -2.670 1.029 1.00 0.00 O ATOM 2630 CB PHE B 73 7.701 -5.433 1.272 1.00 0.00 C ATOM 2631 CG PHE B 73 7.355 -5.025 -0.148 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.116 -5.378 -0.693 1.00 0.00 C ATOM 2633 CD2 PHE B 73 8.274 -4.301 -0.916 1.00 0.00 C ATOM 2634 CE1 PHE B 73 5.796 -5.007 -2.005 1.00 0.00 C ATOM 2635 CE2 PHE B 73 7.955 -3.928 -2.228 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.715 -4.281 -2.772 1.00 0.00 C ATOM 0 H PHE B 73 6.618 -6.284 3.329 1.00 0.00 H new ATOM 0 HA PHE B 73 7.847 -3.774 2.641 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.784 -5.447 1.394 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.346 -6.447 1.457 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.406 -5.937 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE B 73 9.231 -4.029 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.840 -5.281 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE B 73 8.665 -3.369 -2.819 1.00 0.00 H new ATOM 0 HZ PHE B 73 6.467 -3.994 -3.783 1.00 0.00 H new ATOM 2646 N MET B 74 4.716 -4.109 1.911 1.00 0.00 N ATOM 2647 CA MET B 74 3.539 -3.390 1.349 1.00 0.00 C ATOM 2648 C MET B 74 3.199 -2.192 2.235 1.00 0.00 C ATOM 2649 O MET B 74 3.127 -1.068 1.779 1.00 0.00 O ATOM 2650 CB MET B 74 2.344 -4.346 1.307 1.00 0.00 C ATOM 2651 CG MET B 74 2.314 -5.095 -0.030 1.00 0.00 C ATOM 2652 SD MET B 74 2.251 -3.916 -1.406 1.00 0.00 S ATOM 2653 CE MET B 74 1.107 -2.734 -0.654 1.00 0.00 C ATOM 0 H MET B 74 4.493 -4.941 2.458 1.00 0.00 H new ATOM 0 HA MET B 74 3.769 -3.040 0.343 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.409 -5.058 2.130 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.417 -3.788 1.441 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.198 -5.726 -0.122 1.00 0.00 H new ATOM 0 HG3 MET B 74 1.447 -5.755 -0.066 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.626 -2.146 -1.435 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.348 -3.273 -0.086 1.00 0.00 H new ATOM 0 HE3 MET B 74 1.656 -2.070 0.013 1.00 0.00 H new ATOM 2663 N ALA B 75 2.990 -2.426 3.500 1.00 0.00 N ATOM 2664 CA ALA B 75 2.658 -1.303 4.416 1.00 0.00 C ATOM 2665 C ALA B 75 3.886 -0.405 4.558 1.00 0.00 C ATOM 2666 O ALA B 75 3.809 0.704 5.050 1.00 0.00 O ATOM 2667 CB ALA B 75 2.249 -1.862 5.784 1.00 0.00 C ATOM 0 H ALA B 75 3.035 -3.346 3.938 1.00 0.00 H new ATOM 0 HA ALA B 75 1.828 -0.722 4.013 1.00 0.00 H new ATOM 0 HB1 ALA B 75 2.006 -1.039 6.456 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.377 -2.506 5.668 1.00 0.00 H new ATOM 0 HB3 ALA B 75 3.073 -2.440 6.202 1.00 0.00 H new ATOM 2673 N PHE B 76 5.021 -0.876 4.114 1.00 0.00 N ATOM 2674 CA PHE B 76 6.260 -0.057 4.201 1.00 0.00 C ATOM 2675 C PHE B 76 6.269 0.956 3.051 1.00 0.00 C ATOM 2676 O PHE B 76 6.564 2.120 3.234 1.00 0.00 O ATOM 2677 CB PHE B 76 7.479 -0.976 4.089 1.00 0.00 C ATOM 2678 CG PHE B 76 8.135 -1.118 5.441 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.354 -1.359 6.579 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.525 -1.010 5.559 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.964 -1.491 7.833 1.00 0.00 C ATOM 2682 CE2 PHE B 76 10.135 -1.143 6.812 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.354 -1.383 7.949 1.00 0.00 C ATOM 0 H PHE B 76 5.141 -1.797 3.693 1.00 0.00 H new ATOM 0 HA PHE B 76 6.293 0.472 5.153 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.176 -1.955 3.717 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.190 -0.568 3.370 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.281 -1.443 6.489 1.00 0.00 H new ATOM 0 HD2 PHE B 76 10.128 -0.824 4.683 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.361 -1.676 8.710 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.208 -1.060 6.902 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.825 -1.485 8.916 1.00 0.00 H new ATOM 2693 N VAL B 77 5.936 0.518 1.864 1.00 0.00 N ATOM 2694 CA VAL B 77 5.912 1.450 0.697 1.00 0.00 C ATOM 2695 C VAL B 77 4.855 2.531 0.930 1.00 0.00 C ATOM 2696 O VAL B 77 4.949 3.629 0.416 1.00 0.00 O ATOM 2697 CB VAL B 77 5.559 0.661 -0.567 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.278 1.631 -1.716 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.730 -0.247 -0.945 1.00 0.00 C ATOM 0 H VAL B 77 5.679 -0.446 1.652 1.00 0.00 H new ATOM 0 HA VAL B 77 6.890 1.917 0.580 1.00 0.00 H new ATOM 0 HB VAL B 77 4.673 0.055 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.027 1.068 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.443 2.279 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.163 2.238 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.479 -0.809 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.616 0.360 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.931 -0.941 -0.128 1.00 0.00 H new ATOM 2709 N SER B 78 3.845 2.228 1.696 1.00 0.00 N ATOM 2710 CA SER B 78 2.776 3.235 1.954 1.00 0.00 C ATOM 2711 C SER B 78 3.258 4.272 2.974 1.00 0.00 C ATOM 2712 O SER B 78 3.132 5.462 2.767 1.00 0.00 O ATOM 2713 CB SER B 78 1.532 2.531 2.498 1.00 0.00 C ATOM 2714 OG SER B 78 1.742 1.125 2.485 1.00 0.00 O ATOM 0 H SER B 78 3.712 1.327 2.155 1.00 0.00 H new ATOM 0 HA SER B 78 2.536 3.741 1.019 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.324 2.869 3.513 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.662 2.786 1.892 1.00 0.00 H new ATOM 0 HG SER B 78 0.878 0.665 2.521 1.00 0.00 H new ATOM 2720 N MET B 79 3.796 3.833 4.077 1.00 0.00 N ATOM 2721 CA MET B 79 4.265 4.793 5.112 1.00 0.00 C ATOM 2722 C MET B 79 5.159 5.868 4.483 1.00 0.00 C ATOM 2723 O MET B 79 5.074 7.032 4.822 1.00 0.00 O ATOM 2724 CB MET B 79 5.056 4.031 6.173 1.00 0.00 C ATOM 2725 CG MET B 79 4.271 2.791 6.610 1.00 0.00 C ATOM 2726 SD MET B 79 3.843 2.934 8.363 1.00 0.00 S ATOM 2727 CE MET B 79 5.319 2.123 9.027 1.00 0.00 C ATOM 0 H MET B 79 3.931 2.848 4.306 1.00 0.00 H new ATOM 0 HA MET B 79 3.401 5.280 5.564 1.00 0.00 H new ATOM 0 HB2 MET B 79 6.027 3.737 5.775 1.00 0.00 H new ATOM 0 HB3 MET B 79 5.245 4.675 7.032 1.00 0.00 H new ATOM 0 HG2 MET B 79 3.366 2.691 6.011 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.866 1.893 6.442 1.00 0.00 H new ATOM 0 HE1 MET B 79 5.263 2.101 10.115 1.00 0.00 H new ATOM 0 HE2 MET B 79 5.377 1.103 8.646 1.00 0.00 H new ATOM 0 HE3 MET B 79 6.207 2.676 8.720 1.00 0.00 H new ATOM 2737 N VAL B 80 6.030 5.491 3.587 1.00 0.00 N ATOM 2738 CA VAL B 80 6.940 6.499 2.967 1.00 0.00 C ATOM 2739 C VAL B 80 6.227 7.275 1.850 1.00 0.00 C ATOM 2740 O VAL B 80 6.370 8.477 1.736 1.00 0.00 O ATOM 2741 CB VAL B 80 8.173 5.792 2.401 1.00 0.00 C ATOM 2742 CG1 VAL B 80 9.151 5.500 3.541 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.764 4.476 1.731 1.00 0.00 C ATOM 0 H VAL B 80 6.152 4.533 3.258 1.00 0.00 H new ATOM 0 HA VAL B 80 7.242 7.211 3.735 1.00 0.00 H new ATOM 0 HB VAL B 80 8.647 6.435 1.660 1.00 0.00 H new ATOM 0 HG11 VAL B 80 10.032 4.996 3.144 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.450 6.436 4.013 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.668 4.860 4.279 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.649 3.981 1.331 1.00 0.00 H new ATOM 0 HG22 VAL B 80 7.285 3.827 2.465 1.00 0.00 H new ATOM 0 HG23 VAL B 80 7.066 4.682 0.919 1.00 0.00 H new ATOM 2753 N THR B 81 5.471 6.610 1.017 1.00 0.00 N ATOM 2754 CA THR B 81 4.775 7.334 -0.089 1.00 0.00 C ATOM 2755 C THR B 81 3.614 8.154 0.475 1.00 0.00 C ATOM 2756 O THR B 81 2.982 8.915 -0.230 1.00 0.00 O ATOM 2757 CB THR B 81 4.240 6.324 -1.110 1.00 0.00 C ATOM 2758 OG1 THR B 81 5.168 5.258 -1.246 1.00 0.00 O ATOM 2759 CG2 THR B 81 4.047 7.011 -2.466 1.00 0.00 C ATOM 0 H THR B 81 5.305 5.604 1.053 1.00 0.00 H new ATOM 0 HA THR B 81 5.483 8.004 -0.577 1.00 0.00 H new ATOM 0 HB THR B 81 3.282 5.934 -0.766 1.00 0.00 H new ATOM 0 HG1 THR B 81 5.187 4.733 -0.419 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.667 6.289 -3.189 1.00 0.00 H new ATOM 0 HG22 THR B 81 3.335 7.829 -2.361 1.00 0.00 H new ATOM 0 HG23 THR B 81 5.002 7.404 -2.814 1.00 0.00 H new ATOM 2767 N THR B 82 3.333 8.014 1.740 1.00 0.00 N ATOM 2768 CA THR B 82 2.218 8.798 2.338 1.00 0.00 C ATOM 2769 C THR B 82 2.645 9.316 3.711 1.00 0.00 C ATOM 2770 O THR B 82 1.826 9.691 4.527 1.00 0.00 O ATOM 2771 CB THR B 82 0.980 7.908 2.485 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.299 6.784 3.295 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.521 7.435 1.104 1.00 0.00 C ATOM 0 H THR B 82 3.825 7.393 2.383 1.00 0.00 H new ATOM 0 HA THR B 82 1.977 9.640 1.689 1.00 0.00 H new ATOM 0 HB THR B 82 0.177 8.476 2.955 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.893 6.182 2.800 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.360 6.802 1.210 1.00 0.00 H new ATOM 0 HG22 THR B 82 0.274 8.299 0.487 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.321 6.867 0.630 1.00 0.00 H new ATOM 2781 N ALA B 83 3.923 9.344 3.972 1.00 0.00 N ATOM 2782 CA ALA B 83 4.401 9.843 5.290 1.00 0.00 C ATOM 2783 C ALA B 83 3.739 11.192 5.588 1.00 0.00 C ATOM 2784 O ALA B 83 3.140 11.377 6.628 1.00 0.00 O ATOM 2785 CB ALA B 83 5.921 10.010 5.257 1.00 0.00 C ATOM 0 H ALA B 83 4.656 9.043 3.329 1.00 0.00 H new ATOM 0 HA ALA B 83 4.138 9.128 6.069 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.268 10.376 6.223 1.00 0.00 H new ATOM 0 HB2 ALA B 83 6.388 9.049 5.044 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.192 10.725 4.480 1.00 0.00 H new