USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1170 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 Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 72:sc= 0.416 USER MOD Single : A 13 ASN : amide:sc= -10.5! C(o=-11!,f=-14!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 36:sc= 0.0708 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc=-0.00458 (180deg=-0.023) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.47) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.42 F(o=-1.9,f=-0.42) USER MOD Single : A 39 THR OG1 : rot 67:sc= -0.079 USER MOD Single : A 42 SER OG : rot 15:sc= -0.0002! USER MOD Single : A 48 GLN : amide:sc= -3.05 K(o=-3,f=-3.6!) USER MOD Single : A 49 LYS NZ :NH3+ -125:sc= -1.92 (180deg=-4.49!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc=-0.00484 (180deg=-0.00484) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= 0.128 (180deg=0.0533) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.243 F(o=-3.7!,f=-0.24) USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 74 TYR OH : rot 165:sc= -3.27! USER MOD Single : A 82 THR OG1 : rot 165:sc= 0.362 USER MOD Single : A 85 CYS SG : rot 45:sc= 0.353 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.117 F(o=-0.79,f=-0.12) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 10 THR OG1 : rot 71:sc= 0.416 USER MOD Single : B 13 ASN : amide:sc= -10.6! C(o=-11!,f=-15!) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 18 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-3.7!) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot 39:sc= 0.0663 USER MOD Single : B 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.032) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.54) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 GLN :FLIP amide:sc= -0.4 F(o=-1.9,f=-0.4) USER MOD Single : B 39 THR OG1 : rot 64:sc= -0.0436 USER MOD Single : B 42 SER OG : rot 4:sc= -0.0331 USER MOD Single : B 48 GLN : amide:sc= -3.14 K(o=-3.1,f=-3.7!) USER MOD Single : B 49 LYS NZ :NH3+ -130:sc= -1.84 (180deg=-4.55!) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 MET CE :methyl 180:sc=-0.00621 (180deg=-0.00621) USER MOD Single : B 59 LYS NZ :NH3+ -161:sc= 0.126 (180deg=0.0518) USER MOD Single : B 64 ASN :FLIP amide:sc= -0.266 F(o=-3.5!,f=-0.27) USER MOD Single : B 72 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : B 74 TYR OH : rot 165:sc= -3.22! USER MOD Single : B 82 THR OG1 : rot 163:sc= 0.5 USER MOD Single : B 85 CYS SG : rot 45:sc= 0.346 USER MOD Single : B 86 ASN :FLIP amide:sc= -0.0908 F(o=-0.8,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 3 153.937 -1.074 -11.040 1.00 0.00 N ATOM 20 CA GLU A 3 152.487 -1.097 -11.186 1.00 0.00 C ATOM 21 C GLU A 3 151.809 -0.612 -9.907 1.00 0.00 C ATOM 22 O GLU A 3 150.767 0.040 -9.956 1.00 0.00 O ATOM 23 CB GLU A 3 152.017 -2.517 -11.507 1.00 0.00 C ATOM 24 CG GLU A 3 152.572 -2.942 -12.869 1.00 0.00 C ATOM 25 CD GLU A 3 152.060 -4.332 -13.229 1.00 0.00 C ATOM 26 OE1 GLU A 3 151.388 -4.927 -12.403 1.00 0.00 O ATOM 27 OE2 GLU A 3 152.346 -4.779 -14.328 1.00 0.00 O ATOM 0 HA GLU A 3 152.214 -0.429 -12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 3 152.354 -3.207 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 3 150.928 -2.558 -11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 3 152.271 -2.225 -13.633 1.00 0.00 H new ATOM 0 HG3 GLU A 3 153.662 -2.942 -12.843 1.00 0.00 H new ATOM 34 N LEU A 4 152.408 -0.934 -8.765 1.00 0.00 N ATOM 35 CA LEU A 4 151.850 -0.524 -7.481 1.00 0.00 C ATOM 36 C LEU A 4 151.614 0.984 -7.462 1.00 0.00 C ATOM 37 O LEU A 4 150.556 1.452 -7.040 1.00 0.00 O ATOM 38 CB LEU A 4 152.808 -0.915 -6.347 1.00 0.00 C ATOM 39 CG LEU A 4 152.013 -1.222 -5.074 1.00 0.00 C ATOM 40 CD1 LEU A 4 152.978 -1.457 -3.911 1.00 0.00 C ATOM 41 CD2 LEU A 4 151.099 -0.041 -4.741 1.00 0.00 C ATOM 0 H LEU A 4 153.272 -1.473 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 4 150.896 -1.030 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 4 153.394 -1.786 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 4 153.513 -0.105 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 4 151.410 -2.116 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 4 152.411 -1.675 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 4 153.629 -2.300 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 4 153.583 -0.564 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 4 150.535 -0.262 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 4 151.702 0.853 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 4 150.408 0.128 -5.567 1.00 0.00 H new ATOM 53 N GLU A 5 152.606 1.739 -7.923 1.00 0.00 N ATOM 54 CA GLU A 5 152.496 3.193 -7.956 1.00 0.00 C ATOM 55 C GLU A 5 151.338 3.623 -8.849 1.00 0.00 C ATOM 56 O GLU A 5 150.618 4.572 -8.535 1.00 0.00 O ATOM 57 CB GLU A 5 153.798 3.803 -8.478 1.00 0.00 C ATOM 58 CG GLU A 5 154.944 3.455 -7.526 1.00 0.00 C ATOM 59 CD GLU A 5 156.245 4.072 -8.029 1.00 0.00 C ATOM 60 OE1 GLU A 5 156.268 4.512 -9.166 1.00 0.00 O ATOM 61 OE2 GLU A 5 157.199 4.096 -7.269 1.00 0.00 O ATOM 0 H GLU A 5 153.489 1.371 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 5 152.309 3.547 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 5 154.014 3.425 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 5 153.697 4.885 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 5 154.721 3.823 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 5 155.050 2.373 -7.451 1.00 0.00 H new ATOM 68 N THR A 6 151.166 2.921 -9.964 1.00 0.00 N ATOM 69 CA THR A 6 150.093 3.240 -10.900 1.00 0.00 C ATOM 70 C THR A 6 148.729 3.047 -10.241 1.00 0.00 C ATOM 71 O THR A 6 147.786 3.788 -10.519 1.00 0.00 O ATOM 72 CB THR A 6 150.196 2.344 -12.136 1.00 0.00 C ATOM 73 OG1 THR A 6 151.491 2.473 -12.704 1.00 0.00 O ATOM 74 CG2 THR A 6 149.142 2.762 -13.162 1.00 0.00 C ATOM 0 H THR A 6 151.751 2.133 -10.241 1.00 0.00 H new ATOM 0 HA THR A 6 150.195 4.284 -11.197 1.00 0.00 H new ATOM 0 HB THR A 6 150.026 1.306 -11.849 1.00 0.00 H new ATOM 0 HG1 THR A 6 151.560 1.899 -13.495 1.00 0.00 H new ATOM 0 HG21 THR A 6 149.217 2.123 -14.042 1.00 0.00 H new ATOM 0 HG22 THR A 6 148.149 2.662 -12.724 1.00 0.00 H new ATOM 0 HG23 THR A 6 149.308 3.799 -13.452 1.00 0.00 H new ATOM 82 N ALA A 7 148.633 2.048 -9.371 1.00 0.00 N ATOM 83 CA ALA A 7 147.380 1.767 -8.680 1.00 0.00 C ATOM 84 C ALA A 7 146.946 2.962 -7.839 1.00 0.00 C ATOM 85 O ALA A 7 145.780 3.357 -7.858 1.00 0.00 O ATOM 86 CB ALA A 7 147.544 0.541 -7.780 1.00 0.00 C ATOM 0 H ALA A 7 149.402 1.423 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 7 146.613 1.570 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 7 146.604 0.338 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 7 147.820 -0.321 -8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 7 148.325 0.732 -7.044 1.00 0.00 H new ATOM 92 N MET A 8 147.890 3.535 -7.100 1.00 0.00 N ATOM 93 CA MET A 8 147.592 4.685 -6.254 1.00 0.00 C ATOM 94 C MET A 8 147.138 5.872 -7.098 1.00 0.00 C ATOM 95 O MET A 8 146.154 6.536 -6.774 1.00 0.00 O ATOM 96 CB MET A 8 148.831 5.076 -5.446 1.00 0.00 C ATOM 97 CG MET A 8 148.949 4.167 -4.222 1.00 0.00 C ATOM 98 SD MET A 8 147.905 4.813 -2.890 1.00 0.00 S ATOM 99 CE MET A 8 147.060 3.265 -2.486 1.00 0.00 C ATOM 0 H MET A 8 148.861 3.225 -7.069 1.00 0.00 H new ATOM 0 HA MET A 8 146.786 4.409 -5.574 1.00 0.00 H new ATOM 0 HB2 MET A 8 149.724 4.989 -6.065 1.00 0.00 H new ATOM 0 HB3 MET A 8 148.761 6.118 -5.133 1.00 0.00 H new ATOM 0 HG2 MET A 8 148.644 3.152 -4.478 1.00 0.00 H new ATOM 0 HG3 MET A 8 149.987 4.115 -3.893 1.00 0.00 H new ATOM 0 HE1 MET A 8 146.355 3.437 -1.673 1.00 0.00 H new ATOM 0 HE2 MET A 8 146.522 2.905 -3.363 1.00 0.00 H new ATOM 0 HE3 MET A 8 147.794 2.519 -2.179 1.00 0.00 H new ATOM 109 N GLU A 9 147.863 6.134 -8.181 1.00 0.00 N ATOM 110 CA GLU A 9 147.524 7.245 -9.063 1.00 0.00 C ATOM 111 C GLU A 9 146.064 7.162 -9.495 1.00 0.00 C ATOM 112 O GLU A 9 145.425 8.182 -9.754 1.00 0.00 O ATOM 113 CB GLU A 9 148.426 7.224 -10.299 1.00 0.00 C ATOM 114 CG GLU A 9 149.860 7.568 -9.894 1.00 0.00 C ATOM 115 CD GLU A 9 149.927 9.007 -9.392 1.00 0.00 C ATOM 116 OE1 GLU A 9 149.009 9.757 -9.678 1.00 0.00 O ATOM 117 OE2 GLU A 9 150.896 9.337 -8.728 1.00 0.00 O ATOM 0 H GLU A 9 148.682 5.597 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 9 147.676 8.176 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 9 148.396 6.240 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 9 148.064 7.939 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 9 150.201 6.886 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 9 150.528 7.439 -10.745 1.00 0.00 H new ATOM 124 N THR A 10 145.544 5.942 -9.575 1.00 0.00 N ATOM 125 CA THR A 10 144.158 5.738 -9.981 1.00 0.00 C ATOM 126 C THR A 10 143.203 6.085 -8.843 1.00 0.00 C ATOM 127 O THR A 10 142.141 6.666 -9.065 1.00 0.00 O ATOM 128 CB THR A 10 143.947 4.281 -10.398 1.00 0.00 C ATOM 129 OG1 THR A 10 144.904 3.929 -11.388 1.00 0.00 O ATOM 130 CG2 THR A 10 142.537 4.109 -10.965 1.00 0.00 C ATOM 0 H THR A 10 146.057 5.085 -9.366 1.00 0.00 H new ATOM 0 HA THR A 10 143.949 6.395 -10.825 1.00 0.00 H new ATOM 0 HB THR A 10 144.068 3.634 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 10 145.790 3.856 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 10 142.388 3.071 -11.262 1.00 0.00 H new ATOM 0 HG22 THR A 10 141.804 4.378 -10.205 1.00 0.00 H new ATOM 0 HG23 THR A 10 142.413 4.756 -11.834 1.00 0.00 H new ATOM 138 N LEU A 11 143.585 5.717 -7.625 1.00 0.00 N ATOM 139 CA LEU A 11 142.753 5.986 -6.456 1.00 0.00 C ATOM 140 C LEU A 11 142.793 7.466 -6.081 1.00 0.00 C ATOM 141 O LEU A 11 141.873 7.976 -5.442 1.00 0.00 O ATOM 142 CB LEU A 11 143.239 5.148 -5.271 1.00 0.00 C ATOM 143 CG LEU A 11 142.781 3.694 -5.442 1.00 0.00 C ATOM 144 CD1 LEU A 11 143.767 2.759 -4.737 1.00 0.00 C ATOM 145 CD2 LEU A 11 141.390 3.517 -4.828 1.00 0.00 C ATOM 0 H LEU A 11 144.460 5.234 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 11 141.725 5.719 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 11 144.326 5.191 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 11 142.846 5.556 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 11 142.744 3.452 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 11 143.440 1.726 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 11 144.759 2.880 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 11 143.805 3.004 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 11 141.067 2.483 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 11 141.427 3.762 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 11 140.684 4.180 -5.329 1.00 0.00 H new ATOM 157 N ILE A 12 143.864 8.148 -6.474 1.00 0.00 N ATOM 158 CA ILE A 12 144.009 9.566 -6.160 1.00 0.00 C ATOM 159 C ILE A 12 143.138 10.423 -7.074 1.00 0.00 C ATOM 160 O ILE A 12 142.770 11.543 -6.718 1.00 0.00 O ATOM 161 CB ILE A 12 145.471 9.987 -6.305 1.00 0.00 C ATOM 162 CG1 ILE A 12 146.311 9.286 -5.235 1.00 0.00 C ATOM 163 CG2 ILE A 12 145.585 11.503 -6.127 1.00 0.00 C ATOM 164 CD1 ILE A 12 147.797 9.474 -5.548 1.00 0.00 C ATOM 0 H ILE A 12 144.637 7.747 -7.005 1.00 0.00 H new ATOM 0 HA ILE A 12 143.685 9.718 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 12 145.833 9.708 -7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 12 146.081 9.695 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 12 146.067 8.224 -5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 12 146.627 11.804 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 12 144.985 12.005 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 12 145.223 11.781 -5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 12 148.395 8.975 -4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 12 148.020 9.044 -6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 12 148.035 10.538 -5.557 1.00 0.00 H new ATOM 176 N ASN A 13 142.814 9.901 -8.252 1.00 0.00 N ATOM 177 CA ASN A 13 141.989 10.644 -9.199 1.00 0.00 C ATOM 178 C ASN A 13 140.517 10.577 -8.799 1.00 0.00 C ATOM 179 O ASN A 13 139.791 11.566 -8.902 1.00 0.00 O ATOM 180 CB ASN A 13 142.174 10.087 -10.615 1.00 0.00 C ATOM 181 CG ASN A 13 141.339 8.824 -10.809 1.00 0.00 C ATOM 182 OD1 ASN A 13 140.121 8.849 -10.633 1.00 0.00 O ATOM 183 ND2 ASN A 13 141.925 7.717 -11.171 1.00 0.00 N ATOM 0 H ASN A 13 143.106 8.977 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 13 142.305 11.687 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 13 141.882 10.839 -11.348 1.00 0.00 H new ATOM 0 HB3 ASN A 13 143.227 9.864 -10.789 1.00 0.00 H new ATOM 0 HD21 ASN A 13 141.374 6.870 -11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 13 142.934 7.698 -11.316 1.00 0.00 H new ATOM 190 N VAL A 14 140.084 9.406 -8.344 1.00 0.00 N ATOM 191 CA VAL A 14 138.697 9.225 -7.933 1.00 0.00 C ATOM 192 C VAL A 14 138.404 10.025 -6.669 1.00 0.00 C ATOM 193 O VAL A 14 137.391 10.718 -6.580 1.00 0.00 O ATOM 194 CB VAL A 14 138.415 7.743 -7.677 1.00 0.00 C ATOM 195 CG1 VAL A 14 136.946 7.560 -7.295 1.00 0.00 C ATOM 196 CG2 VAL A 14 138.714 6.942 -8.947 1.00 0.00 C ATOM 0 H VAL A 14 140.668 8.575 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 14 138.052 9.584 -8.735 1.00 0.00 H new ATOM 0 HB VAL A 14 139.048 7.388 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 14 136.746 6.504 -7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 14 136.731 8.131 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 14 136.312 7.914 -8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 14 138.514 5.886 -8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 14 138.080 7.298 -9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 14 139.761 7.071 -9.221 1.00 0.00 H new ATOM 206 N PHE A 15 139.301 9.926 -5.692 1.00 0.00 N ATOM 207 CA PHE A 15 139.131 10.647 -4.436 1.00 0.00 C ATOM 208 C PHE A 15 139.044 12.149 -4.686 1.00 0.00 C ATOM 209 O PHE A 15 138.181 12.832 -4.134 1.00 0.00 O ATOM 210 CB PHE A 15 140.307 10.350 -3.503 1.00 0.00 C ATOM 211 CG PHE A 15 139.997 10.867 -2.117 1.00 0.00 C ATOM 212 CD1 PHE A 15 139.337 10.045 -1.196 1.00 0.00 C ATOM 213 CD2 PHE A 15 140.372 12.166 -1.755 1.00 0.00 C ATOM 214 CE1 PHE A 15 139.052 10.524 0.089 1.00 0.00 C ATOM 215 CE2 PHE A 15 140.087 12.645 -0.471 1.00 0.00 C ATOM 216 CZ PHE A 15 139.425 11.823 0.450 1.00 0.00 C ATOM 0 H PHE A 15 140.147 9.358 -5.745 1.00 0.00 H new ATOM 0 HA PHE A 15 138.203 10.315 -3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 15 140.495 9.277 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 15 141.214 10.820 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 15 139.048 9.043 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 15 140.881 12.799 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 15 138.544 9.890 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 15 140.377 13.647 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 15 139.202 12.193 1.440 1.00 0.00 H new ATOM 226 N HIS A 16 139.944 12.657 -5.522 1.00 0.00 N ATOM 227 CA HIS A 16 139.961 14.082 -5.840 1.00 0.00 C ATOM 228 C HIS A 16 138.753 14.458 -6.693 1.00 0.00 C ATOM 229 O HIS A 16 138.225 15.565 -6.582 1.00 0.00 O ATOM 230 CB HIS A 16 141.247 14.434 -6.590 1.00 0.00 C ATOM 231 CG HIS A 16 141.358 15.928 -6.722 1.00 0.00 C ATOM 232 ND1 HIS A 16 141.852 16.725 -5.700 1.00 0.00 N ATOM 233 CD2 HIS A 16 141.046 16.785 -7.748 1.00 0.00 C ATOM 234 CE1 HIS A 16 141.821 18.000 -6.130 1.00 0.00 C ATOM 235 NE2 HIS A 16 141.339 18.093 -7.373 1.00 0.00 N ATOM 0 H HIS A 16 140.666 12.109 -5.989 1.00 0.00 H new ATOM 0 HA HIS A 16 139.919 14.643 -4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 16 142.112 14.040 -6.056 1.00 0.00 H new ATOM 0 HB3 HIS A 16 141.244 13.970 -7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 16 140.635 16.489 -8.702 1.00 0.00 H new ATOM 0 HE1 HIS A 16 142.146 18.845 -5.542 1.00 0.00 H new ATOM 0 HE2 HIS A 16 141.213 18.940 -7.927 1.00 0.00 H new ATOM 244 N ALA A 17 138.323 13.533 -7.543 1.00 0.00 N ATOM 245 CA ALA A 17 137.178 13.783 -8.411 1.00 0.00 C ATOM 246 C ALA A 17 135.910 13.985 -7.585 1.00 0.00 C ATOM 247 O ALA A 17 135.098 14.861 -7.883 1.00 0.00 O ATOM 248 CB ALA A 17 136.981 12.605 -9.368 1.00 0.00 C ATOM 0 H ALA A 17 138.745 12.611 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 17 137.373 14.690 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 17 136.124 12.799 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 17 137.874 12.480 -9.980 1.00 0.00 H new ATOM 0 HB3 ALA A 17 136.804 11.695 -8.794 1.00 0.00 H new ATOM 254 N HIS A 18 135.748 13.170 -6.548 1.00 0.00 N ATOM 255 CA HIS A 18 134.574 13.269 -5.688 1.00 0.00 C ATOM 256 C HIS A 18 134.815 14.271 -4.562 1.00 0.00 C ATOM 257 O HIS A 18 133.898 14.614 -3.817 1.00 0.00 O ATOM 258 CB HIS A 18 134.246 11.900 -5.091 1.00 0.00 C ATOM 259 CG HIS A 18 133.658 11.015 -6.156 1.00 0.00 C ATOM 260 ND1 HIS A 18 132.306 10.717 -6.204 1.00 0.00 N ATOM 261 CD2 HIS A 18 134.226 10.356 -7.219 1.00 0.00 C ATOM 262 CE1 HIS A 18 132.106 9.912 -7.263 1.00 0.00 C ATOM 263 NE2 HIS A 18 133.243 9.661 -7.917 1.00 0.00 N ATOM 0 H HIS A 18 136.409 12.439 -6.284 1.00 0.00 H new ATOM 0 HA HIS A 18 133.735 13.613 -6.292 1.00 0.00 H new ATOM 0 HB2 HIS A 18 135.148 11.444 -4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 18 133.542 12.011 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 18 135.275 10.374 -7.474 1.00 0.00 H new ATOM 0 HE1 HIS A 18 131.143 9.517 -7.550 1.00 0.00 H new ATOM 0 HE2 HIS A 18 133.365 9.084 -8.749 1.00 0.00 H new ATOM 272 N SER A 19 136.056 14.733 -4.442 1.00 0.00 N ATOM 273 CA SER A 19 136.405 15.694 -3.402 1.00 0.00 C ATOM 274 C SER A 19 135.640 17.000 -3.594 1.00 0.00 C ATOM 275 O SER A 19 135.137 17.582 -2.633 1.00 0.00 O ATOM 276 CB SER A 19 137.907 15.973 -3.431 1.00 0.00 C ATOM 277 OG SER A 19 138.222 16.953 -2.451 1.00 0.00 O ATOM 0 H SER A 19 136.831 14.460 -5.047 1.00 0.00 H new ATOM 0 HA SER A 19 136.132 15.267 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 19 138.463 15.056 -3.236 1.00 0.00 H new ATOM 0 HB3 SER A 19 138.205 16.322 -4.420 1.00 0.00 H new ATOM 0 HG SER A 19 139.185 17.133 -2.466 1.00 0.00 H new ATOM 411 N LEU A 28 135.730 14.280 3.149 1.00 0.00 N ATOM 412 CA LEU A 28 134.561 13.424 2.949 1.00 0.00 C ATOM 413 C LEU A 28 133.901 13.112 4.291 1.00 0.00 C ATOM 414 O LEU A 28 134.581 12.925 5.300 1.00 0.00 O ATOM 415 CB LEU A 28 134.987 12.115 2.260 1.00 0.00 C ATOM 416 CG LEU A 28 134.730 12.207 0.751 1.00 0.00 C ATOM 417 CD1 LEU A 28 135.678 11.262 0.011 1.00 0.00 C ATOM 418 CD2 LEU A 28 133.281 11.808 0.455 1.00 0.00 C ATOM 0 HA LEU A 28 133.844 13.947 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 136.044 11.924 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 28 134.433 11.276 2.681 1.00 0.00 H new ATOM 0 HG LEU A 28 134.903 13.230 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 28 135.494 11.328 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 28 136.710 11.544 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 135.507 10.239 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 28 133.098 11.873 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 28 133.109 10.785 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 28 132.604 12.481 0.981 1.00 0.00 H new ATOM 430 N SER A 29 132.573 13.055 4.290 1.00 0.00 N ATOM 431 CA SER A 29 131.824 12.762 5.510 1.00 0.00 C ATOM 432 C SER A 29 131.238 11.355 5.447 1.00 0.00 C ATOM 433 O SER A 29 130.691 10.948 4.423 1.00 0.00 O ATOM 434 CB SER A 29 130.696 13.778 5.686 1.00 0.00 C ATOM 435 OG SER A 29 130.023 13.524 6.912 1.00 0.00 O ATOM 0 H SER A 29 131.995 13.207 3.464 1.00 0.00 H new ATOM 0 HA SER A 29 132.504 12.826 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 29 131.099 14.791 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 29 129.996 13.710 4.853 1.00 0.00 H new ATOM 0 HG SER A 29 130.670 13.222 7.584 1.00 0.00 H new ATOM 441 N LYS A 30 131.356 10.617 6.546 1.00 0.00 N ATOM 442 CA LYS A 30 130.831 9.258 6.596 1.00 0.00 C ATOM 443 C LYS A 30 129.500 9.177 5.855 1.00 0.00 C ATOM 444 O LYS A 30 129.144 8.132 5.310 1.00 0.00 O ATOM 445 CB LYS A 30 130.639 8.824 8.050 1.00 0.00 C ATOM 446 CG LYS A 30 132.007 8.648 8.715 1.00 0.00 C ATOM 447 CD LYS A 30 131.825 8.047 10.110 1.00 0.00 C ATOM 448 CE LYS A 30 133.195 7.812 10.747 1.00 0.00 C ATOM 449 NZ LYS A 30 133.800 6.573 10.181 1.00 0.00 N ATOM 0 H LYS A 30 131.806 10.933 7.405 1.00 0.00 H new ATOM 0 HA LYS A 30 131.546 8.591 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 30 130.054 9.569 8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 30 130.080 7.889 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 30 132.637 7.999 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 30 132.515 9.610 8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 30 131.233 8.718 10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 30 131.277 7.107 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 30 133.846 8.666 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 30 133.094 7.719 11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 134.684 6.357 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 133.135 5.781 10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 134.004 6.716 9.171 1.00 0.00 H new ATOM 463 N LYS A 31 128.772 10.288 5.838 1.00 0.00 N ATOM 464 CA LYS A 31 127.483 10.336 5.159 1.00 0.00 C ATOM 465 C LYS A 31 127.671 10.265 3.647 1.00 0.00 C ATOM 466 O LYS A 31 126.905 9.603 2.947 1.00 0.00 O ATOM 467 CB LYS A 31 126.753 11.633 5.521 1.00 0.00 C ATOM 468 CG LYS A 31 125.287 11.536 5.091 1.00 0.00 C ATOM 469 CD LYS A 31 124.470 10.863 6.196 1.00 0.00 C ATOM 470 CE LYS A 31 122.983 10.917 5.837 1.00 0.00 C ATOM 471 NZ LYS A 31 122.221 10.011 6.743 1.00 0.00 N ATOM 0 H LYS A 31 129.050 11.162 6.284 1.00 0.00 H new ATOM 0 HA LYS A 31 126.891 9.480 5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 31 126.816 11.810 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 31 127.231 12.480 5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 31 124.891 12.531 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 31 125.206 10.965 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 31 124.788 9.828 6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 31 124.644 11.365 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 31 122.612 11.938 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 31 122.837 10.618 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 121.210 10.047 6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 122.569 9.037 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 122.351 10.316 7.729 1.00 0.00 H new ATOM 485 N GLN A 32 128.696 10.952 3.152 1.00 0.00 N ATOM 486 CA GLN A 32 128.979 10.962 1.722 1.00 0.00 C ATOM 487 C GLN A 32 129.818 9.750 1.329 1.00 0.00 C ATOM 488 O GLN A 32 129.696 9.233 0.217 1.00 0.00 O ATOM 489 CB GLN A 32 129.727 12.244 1.348 1.00 0.00 C ATOM 490 CG GLN A 32 128.802 13.448 1.535 1.00 0.00 C ATOM 491 CD GLN A 32 127.644 13.374 0.545 1.00 0.00 C ATOM 492 OE1 GLN A 32 127.858 13.155 -0.647 1.00 0.00 O ATOM 493 NE2 GLN A 32 126.423 13.545 0.972 1.00 0.00 N ATOM 0 H GLN A 32 129.340 11.506 3.716 1.00 0.00 H new ATOM 0 HA GLN A 32 128.032 10.921 1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 32 130.615 12.354 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 32 130.067 12.191 0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 32 128.419 13.468 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 32 129.360 14.372 1.386 1.00 0.00 H new ATOM 0 HE21 GLN A 32 126.249 13.726 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 32 125.642 13.497 0.317 1.00 0.00 H new ATOM 502 N LEU A 33 130.668 9.301 2.246 1.00 0.00 N ATOM 503 CA LEU A 33 131.522 8.147 1.982 1.00 0.00 C ATOM 504 C LEU A 33 130.678 6.952 1.552 1.00 0.00 C ATOM 505 O LEU A 33 130.825 6.440 0.441 1.00 0.00 O ATOM 506 CB LEU A 33 132.318 7.791 3.241 1.00 0.00 C ATOM 507 CG LEU A 33 133.610 7.055 2.860 1.00 0.00 C ATOM 508 CD1 LEU A 33 133.278 5.848 1.979 1.00 0.00 C ATOM 509 CD2 LEU A 33 134.553 8.003 2.103 1.00 0.00 C ATOM 0 H LEU A 33 130.784 9.714 3.171 1.00 0.00 H new ATOM 0 HA LEU A 33 132.213 8.399 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 33 132.557 8.697 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 131.714 7.165 3.897 1.00 0.00 H new ATOM 0 HG LEU A 33 134.104 6.713 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 33 134.198 5.329 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 33 132.624 5.168 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 33 132.775 6.186 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 33 135.467 7.472 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 33 134.062 8.357 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 33 134.800 8.854 2.738 1.00 0.00 H new ATOM 521 N LYS A 34 129.792 6.515 2.439 1.00 0.00 N ATOM 522 CA LYS A 34 128.927 5.380 2.144 1.00 0.00 C ATOM 523 C LYS A 34 128.460 5.428 0.692 1.00 0.00 C ATOM 524 O LYS A 34 128.470 4.414 -0.007 1.00 0.00 O ATOM 525 CB LYS A 34 127.715 5.393 3.079 1.00 0.00 C ATOM 526 CG LYS A 34 126.724 6.467 2.623 1.00 0.00 C ATOM 527 CD LYS A 34 125.668 6.682 3.708 1.00 0.00 C ATOM 528 CE LYS A 34 124.519 7.520 3.142 1.00 0.00 C ATOM 529 NZ LYS A 34 123.572 6.635 2.410 1.00 0.00 N ATOM 0 H LYS A 34 129.654 6.926 3.362 1.00 0.00 H new ATOM 0 HA LYS A 34 129.493 4.461 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 127.233 4.416 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 34 128.035 5.590 4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 34 127.250 7.400 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 34 126.247 6.164 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 34 125.292 5.721 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 34 126.111 7.186 4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 34 124.000 8.037 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 34 124.909 8.286 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 122.791 7.204 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 124.072 6.161 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 123.191 5.920 3.062 1.00 0.00 H new ATOM 543 N GLU A 35 128.051 6.611 0.247 1.00 0.00 N ATOM 544 CA GLU A 35 127.583 6.782 -1.124 1.00 0.00 C ATOM 545 C GLU A 35 128.743 6.641 -2.105 1.00 0.00 C ATOM 546 O GLU A 35 128.640 5.934 -3.107 1.00 0.00 O ATOM 547 CB GLU A 35 126.938 8.160 -1.286 1.00 0.00 C ATOM 548 CG GLU A 35 126.352 8.288 -2.693 1.00 0.00 C ATOM 549 CD GLU A 35 125.784 9.689 -2.896 1.00 0.00 C ATOM 550 OE1 GLU A 35 125.828 10.466 -1.956 1.00 0.00 O ATOM 551 OE2 GLU A 35 125.314 9.965 -3.987 1.00 0.00 O ATOM 0 H GLU A 35 128.034 7.461 0.811 1.00 0.00 H new ATOM 0 HA GLU A 35 126.845 6.009 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 35 126.154 8.296 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 35 127.678 8.942 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 35 127.123 8.088 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 35 125.568 7.544 -2.839 1.00 0.00 H new ATOM 558 N LEU A 36 129.846 7.318 -1.807 1.00 0.00 N ATOM 559 CA LEU A 36 131.023 7.267 -2.666 1.00 0.00 C ATOM 560 C LEU A 36 131.477 5.824 -2.871 1.00 0.00 C ATOM 561 O LEU A 36 131.775 5.411 -3.992 1.00 0.00 O ATOM 562 CB LEU A 36 132.158 8.078 -2.034 1.00 0.00 C ATOM 563 CG LEU A 36 133.445 7.887 -2.840 1.00 0.00 C ATOM 564 CD1 LEU A 36 133.180 8.197 -4.314 1.00 0.00 C ATOM 565 CD2 LEU A 36 134.520 8.839 -2.308 1.00 0.00 C ATOM 0 H LEU A 36 129.950 7.906 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 36 130.765 7.693 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 36 131.890 9.134 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 36 132.314 7.760 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 36 133.784 6.856 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 36 134.098 8.060 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 36 132.412 7.524 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 36 132.841 9.228 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 36 135.439 8.706 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 36 134.176 9.868 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 36 134.712 8.621 -1.257 1.00 0.00 H new ATOM 577 N LEU A 37 131.530 5.065 -1.783 1.00 0.00 N ATOM 578 CA LEU A 37 131.954 3.670 -1.852 1.00 0.00 C ATOM 579 C LEU A 37 131.076 2.884 -2.821 1.00 0.00 C ATOM 580 O LEU A 37 131.548 2.405 -3.852 1.00 0.00 O ATOM 581 CB LEU A 37 131.879 3.034 -0.463 1.00 0.00 C ATOM 582 CG LEU A 37 132.861 1.860 -0.378 1.00 0.00 C ATOM 583 CD1 LEU A 37 134.239 2.371 0.048 1.00 0.00 C ATOM 584 CD2 LEU A 37 132.356 0.845 0.652 1.00 0.00 C ATOM 0 H LEU A 37 131.286 5.389 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 37 132.982 3.642 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 37 132.117 3.775 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 37 130.865 2.687 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 37 132.937 1.383 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 37 134.935 1.534 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 134.601 3.093 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 37 134.164 2.850 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 37 133.054 0.010 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 37 132.278 1.325 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 37 131.376 0.477 0.350 1.00 0.00 H new ATOM 596 N GLN A 38 129.799 2.748 -2.479 1.00 0.00 N ATOM 597 CA GLN A 38 128.865 2.010 -3.322 1.00 0.00 C ATOM 598 C GLN A 38 128.773 2.635 -4.712 1.00 0.00 C ATOM 599 O GLN A 38 128.680 1.928 -5.714 1.00 0.00 O ATOM 600 CB GLN A 38 127.479 1.996 -2.677 1.00 0.00 C ATOM 601 CG GLN A 38 126.939 3.425 -2.596 1.00 0.00 C ATOM 602 CD GLN A 38 125.679 3.459 -1.738 1.00 0.00 C ATOM 603 OE1 GLN A 38 125.696 4.088 -0.595 1.00 0.00 O flip ATOM 604 NE2 GLN A 38 124.653 2.898 -2.119 1.00 0.00 N flip ATOM 0 H GLN A 38 129.389 3.136 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 38 129.233 0.989 -3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 38 126.801 1.372 -3.260 1.00 0.00 H new ATOM 0 HB3 GLN A 38 127.535 1.560 -1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 38 127.696 4.085 -2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 38 126.718 3.796 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 38 124.642 2.407 -3.013 1.00 0.00 H new ATOM 0 HE22 GLN A 38 123.813 2.924 -1.541 1.00 0.00 H new ATOM 613 N THR A 39 128.798 3.962 -4.764 1.00 0.00 N ATOM 614 CA THR A 39 128.713 4.667 -6.040 1.00 0.00 C ATOM 615 C THR A 39 129.700 4.084 -7.046 1.00 0.00 C ATOM 616 O THR A 39 129.325 3.732 -8.165 1.00 0.00 O ATOM 617 CB THR A 39 129.007 6.155 -5.835 1.00 0.00 C ATOM 618 OG1 THR A 39 127.926 6.758 -5.138 1.00 0.00 O ATOM 619 CG2 THR A 39 129.182 6.836 -7.193 1.00 0.00 C ATOM 0 H THR A 39 128.876 4.567 -3.947 1.00 0.00 H new ATOM 0 HA THR A 39 127.703 4.546 -6.432 1.00 0.00 H new ATOM 0 HB THR A 39 129.923 6.267 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.881 6.397 -4.228 1.00 0.00 H new ATOM 0 HG21 THR A 39 129.391 7.895 -7.045 1.00 0.00 H new ATOM 0 HG22 THR A 39 130.012 6.374 -7.728 1.00 0.00 H new ATOM 0 HG23 THR A 39 128.268 6.725 -7.776 1.00 0.00 H new ATOM 627 N GLU A 40 130.963 3.989 -6.644 1.00 0.00 N ATOM 628 CA GLU A 40 131.995 3.450 -7.524 1.00 0.00 C ATOM 629 C GLU A 40 131.921 1.928 -7.582 1.00 0.00 C ATOM 630 O GLU A 40 132.003 1.335 -8.659 1.00 0.00 O ATOM 631 CB GLU A 40 133.378 3.877 -7.028 1.00 0.00 C ATOM 632 CG GLU A 40 133.509 5.398 -7.124 1.00 0.00 C ATOM 633 CD GLU A 40 133.477 5.832 -8.585 1.00 0.00 C ATOM 634 OE1 GLU A 40 133.688 4.986 -9.439 1.00 0.00 O ATOM 635 OE2 GLU A 40 133.244 7.004 -8.830 1.00 0.00 O ATOM 0 H GLU A 40 131.295 4.275 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 40 131.828 3.844 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 40 133.522 3.554 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.154 3.396 -7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 40 132.697 5.877 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 40 134.441 5.721 -6.660 1.00 0.00 H new ATOM 642 N LEU A 41 131.766 1.299 -6.422 1.00 0.00 N ATOM 643 CA LEU A 41 131.685 -0.157 -6.360 1.00 0.00 C ATOM 644 C LEU A 41 130.326 -0.641 -6.854 1.00 0.00 C ATOM 645 O LEU A 41 130.061 -1.842 -6.892 1.00 0.00 O ATOM 646 CB LEU A 41 131.907 -0.635 -4.923 1.00 0.00 C ATOM 647 CG LEU A 41 133.257 -0.125 -4.410 1.00 0.00 C ATOM 648 CD1 LEU A 41 133.497 -0.660 -2.996 1.00 0.00 C ATOM 649 CD2 LEU A 41 134.376 -0.613 -5.334 1.00 0.00 C ATOM 0 H LEU A 41 131.694 1.769 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 41 132.462 -0.571 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 41 131.103 -0.273 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 41 131.880 -1.724 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 41 133.250 0.965 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 41 134.457 -0.299 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 41 132.702 -0.313 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 41 133.503 -1.750 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 41 135.336 -0.249 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 134.384 -1.703 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 41 134.206 -0.235 -6.342 1.00 0.00 H new ATOM 661 N SER A 42 129.469 0.301 -7.234 1.00 0.00 N ATOM 662 CA SER A 42 128.140 -0.046 -7.725 1.00 0.00 C ATOM 663 C SER A 42 128.209 -1.257 -8.649 1.00 0.00 C ATOM 664 O SER A 42 127.229 -1.983 -8.811 1.00 0.00 O ATOM 665 CB SER A 42 127.536 1.139 -8.479 1.00 0.00 C ATOM 666 OG SER A 42 127.350 2.224 -7.578 1.00 0.00 O ATOM 0 H SER A 42 129.668 1.301 -7.212 1.00 0.00 H new ATOM 0 HA SER A 42 127.510 -0.291 -6.870 1.00 0.00 H new ATOM 0 HB2 SER A 42 128.193 1.438 -9.296 1.00 0.00 H new ATOM 0 HB3 SER A 42 126.583 0.854 -8.925 1.00 0.00 H new ATOM 0 HG SER A 42 127.853 2.055 -6.754 1.00 0.00 H new ATOM 672 N GLY A 43 129.374 -1.468 -9.254 1.00 0.00 N ATOM 673 CA GLY A 43 129.559 -2.593 -10.162 1.00 0.00 C ATOM 674 C GLY A 43 129.918 -3.862 -9.394 1.00 0.00 C ATOM 675 O GLY A 43 129.405 -4.941 -9.687 1.00 0.00 O ATOM 0 H GLY A 43 130.198 -0.879 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 43 128.646 -2.756 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 43 130.348 -2.361 -10.878 1.00 0.00 H new ATOM 679 N PHE A 44 130.802 -3.724 -8.412 1.00 0.00 N ATOM 680 CA PHE A 44 131.223 -4.867 -7.609 1.00 0.00 C ATOM 681 C PHE A 44 130.052 -5.408 -6.792 1.00 0.00 C ATOM 682 O PHE A 44 129.742 -6.598 -6.850 1.00 0.00 O ATOM 683 CB PHE A 44 132.363 -4.452 -6.668 1.00 0.00 C ATOM 684 CG PHE A 44 133.695 -4.625 -7.364 1.00 0.00 C ATOM 685 CD1 PHE A 44 133.806 -4.389 -8.740 1.00 0.00 C ATOM 686 CD2 PHE A 44 134.819 -5.025 -6.630 1.00 0.00 C ATOM 687 CE1 PHE A 44 135.040 -4.552 -9.381 1.00 0.00 C ATOM 688 CE2 PHE A 44 136.053 -5.188 -7.272 1.00 0.00 C ATOM 689 CZ PHE A 44 136.163 -4.951 -8.647 1.00 0.00 C ATOM 0 H PHE A 44 131.238 -2.839 -8.154 1.00 0.00 H new ATOM 0 HA PHE A 44 131.574 -5.652 -8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 44 132.235 -3.413 -6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 44 132.336 -5.056 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 44 132.940 -4.081 -9.307 1.00 0.00 H new ATOM 0 HD2 PHE A 44 134.734 -5.208 -5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 44 135.125 -4.370 -10.442 1.00 0.00 H new ATOM 0 HE2 PHE A 44 136.920 -5.497 -6.706 1.00 0.00 H new ATOM 0 HZ PHE A 44 137.115 -5.076 -9.142 1.00 0.00 H new ATOM 699 N LEU A 45 129.408 -4.529 -6.033 1.00 0.00 N ATOM 700 CA LEU A 45 128.274 -4.935 -5.210 1.00 0.00 C ATOM 701 C LEU A 45 127.287 -5.761 -6.029 1.00 0.00 C ATOM 702 O LEU A 45 126.510 -6.541 -5.478 1.00 0.00 O ATOM 703 CB LEU A 45 127.565 -3.701 -4.646 1.00 0.00 C ATOM 704 CG LEU A 45 128.313 -3.198 -3.410 1.00 0.00 C ATOM 705 CD1 LEU A 45 129.687 -2.669 -3.823 1.00 0.00 C ATOM 706 CD2 LEU A 45 127.511 -2.072 -2.753 1.00 0.00 C ATOM 0 H LEU A 45 129.648 -3.540 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 45 128.648 -5.545 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 45 127.523 -2.917 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 45 126.536 -3.948 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 45 128.438 -4.018 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 45 130.219 -2.311 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 45 130.259 -3.470 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 45 129.564 -1.849 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 45 128.043 -1.713 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 45 127.387 -1.253 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 45 126.531 -2.448 -2.457 1.00 0.00 H new ATOM 718 N ASP A 46 127.324 -5.586 -7.345 1.00 0.00 N ATOM 719 CA ASP A 46 126.430 -6.322 -8.229 1.00 0.00 C ATOM 720 C ASP A 46 126.449 -7.809 -7.890 1.00 0.00 C ATOM 721 O ASP A 46 125.434 -8.496 -8.005 1.00 0.00 O ATOM 722 CB ASP A 46 126.852 -6.123 -9.685 1.00 0.00 C ATOM 723 CG ASP A 46 125.715 -6.521 -10.619 1.00 0.00 C ATOM 724 OD1 ASP A 46 125.321 -7.675 -10.582 1.00 0.00 O ATOM 725 OD2 ASP A 46 125.252 -5.666 -11.355 1.00 0.00 O ATOM 0 H ASP A 46 127.959 -4.945 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 46 125.418 -5.941 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 46 127.124 -5.081 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 46 127.737 -6.722 -9.900 1.00 0.00 H new ATOM 730 N ALA A 47 127.611 -8.300 -7.471 1.00 0.00 N ATOM 731 CA ALA A 47 127.753 -9.707 -7.116 1.00 0.00 C ATOM 732 C ALA A 47 128.735 -9.870 -5.960 1.00 0.00 C ATOM 733 O ALA A 47 129.923 -9.572 -6.095 1.00 0.00 O ATOM 734 CB ALA A 47 128.248 -10.504 -8.324 1.00 0.00 C ATOM 0 H ALA A 47 128.463 -7.748 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 47 126.778 -10.085 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 47 128.351 -11.554 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 47 127.531 -10.411 -9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 47 129.215 -10.116 -8.644 1.00 0.00 H new ATOM 740 N GLN A 48 128.231 -10.344 -4.824 1.00 0.00 N ATOM 741 CA GLN A 48 129.070 -10.544 -3.645 1.00 0.00 C ATOM 742 C GLN A 48 128.773 -11.895 -3.002 1.00 0.00 C ATOM 743 O GLN A 48 127.641 -12.377 -3.044 1.00 0.00 O ATOM 744 CB GLN A 48 128.817 -9.427 -2.631 1.00 0.00 C ATOM 745 CG GLN A 48 129.149 -8.075 -3.267 1.00 0.00 C ATOM 746 CD GLN A 48 128.879 -6.950 -2.274 1.00 0.00 C ATOM 747 OE1 GLN A 48 127.738 -6.752 -1.856 1.00 0.00 O ATOM 748 NE2 GLN A 48 129.865 -6.199 -1.869 1.00 0.00 N ATOM 0 H GLN A 48 127.251 -10.596 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 48 130.115 -10.523 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 48 127.776 -9.443 -2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 48 129.429 -9.583 -1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 48 130.194 -8.056 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 48 128.549 -7.930 -4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 48 130.809 -6.365 -2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 48 129.692 -5.445 -1.204 1.00 0.00 H new ATOM 757 N LYS A 49 129.797 -12.501 -2.410 1.00 0.00 N ATOM 758 CA LYS A 49 129.632 -13.799 -1.763 1.00 0.00 C ATOM 759 C LYS A 49 129.345 -13.627 -0.275 1.00 0.00 C ATOM 760 O LYS A 49 128.766 -14.508 0.360 1.00 0.00 O ATOM 761 CB LYS A 49 130.899 -14.637 -1.945 1.00 0.00 C ATOM 762 CG LYS A 49 130.655 -16.050 -1.413 1.00 0.00 C ATOM 763 CD LYS A 49 131.857 -16.937 -1.745 1.00 0.00 C ATOM 764 CE LYS A 49 133.085 -16.442 -0.977 1.00 0.00 C ATOM 765 NZ LYS A 49 133.733 -15.335 -1.737 1.00 0.00 N ATOM 0 H LYS A 49 130.742 -12.119 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 49 128.787 -14.309 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 49 131.174 -14.676 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 49 131.732 -14.176 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 49 130.498 -16.022 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 49 129.750 -16.465 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 49 131.642 -17.972 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 49 132.053 -16.916 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 49 132.792 -16.095 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 49 133.791 -17.260 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 134.734 -15.566 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 133.251 -15.213 -2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 133.667 -14.453 -1.190 1.00 0.00 H new ATOM 779 N ASP A 50 129.756 -12.489 0.277 1.00 0.00 N ATOM 780 CA ASP A 50 129.539 -12.211 1.694 1.00 0.00 C ATOM 781 C ASP A 50 128.963 -10.812 1.887 1.00 0.00 C ATOM 782 O ASP A 50 129.702 -9.831 1.970 1.00 0.00 O ATOM 783 CB ASP A 50 130.861 -12.327 2.456 1.00 0.00 C ATOM 784 CG ASP A 50 131.313 -13.783 2.496 1.00 0.00 C ATOM 785 OD1 ASP A 50 130.540 -14.635 2.089 1.00 0.00 O ATOM 786 OD2 ASP A 50 132.425 -14.025 2.936 1.00 0.00 O ATOM 0 H ASP A 50 130.238 -11.748 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 50 128.828 -12.940 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 50 131.623 -11.714 1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 50 130.740 -11.947 3.470 1.00 0.00 H new ATOM 791 N VAL A 51 127.639 -10.728 1.957 1.00 0.00 N ATOM 792 CA VAL A 51 126.973 -9.444 2.142 1.00 0.00 C ATOM 793 C VAL A 51 127.022 -9.021 3.606 1.00 0.00 C ATOM 794 O VAL A 51 126.871 -7.842 3.928 1.00 0.00 O ATOM 795 CB VAL A 51 125.516 -9.541 1.686 1.00 0.00 C ATOM 796 CG1 VAL A 51 124.731 -10.414 2.667 1.00 0.00 C ATOM 797 CG2 VAL A 51 124.900 -8.140 1.647 1.00 0.00 C ATOM 0 H VAL A 51 127.009 -11.528 1.889 1.00 0.00 H new ATOM 0 HA VAL A 51 127.493 -8.697 1.542 1.00 0.00 H new ATOM 0 HB VAL A 51 125.476 -9.985 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 51 123.693 -10.483 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 51 125.169 -11.412 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 51 124.771 -9.970 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 51 123.862 -8.208 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 51 124.941 -7.697 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 51 125.458 -7.516 0.949 1.00 0.00 H new ATOM 807 N ASP A 52 127.232 -9.991 4.490 1.00 0.00 N ATOM 808 CA ASP A 52 127.297 -9.710 5.919 1.00 0.00 C ATOM 809 C ASP A 52 128.324 -8.619 6.206 1.00 0.00 C ATOM 810 O ASP A 52 128.072 -7.710 6.995 1.00 0.00 O ATOM 811 CB ASP A 52 127.672 -10.980 6.684 1.00 0.00 C ATOM 812 CG ASP A 52 126.555 -12.011 6.561 1.00 0.00 C ATOM 813 OD1 ASP A 52 125.484 -11.644 6.108 1.00 0.00 O ATOM 814 OD2 ASP A 52 126.788 -13.153 6.921 1.00 0.00 O ATOM 0 H ASP A 52 127.359 -10.973 4.244 1.00 0.00 H new ATOM 0 HA ASP A 52 126.317 -9.364 6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 52 128.602 -11.390 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 52 127.847 -10.744 7.734 1.00 0.00 H new ATOM 819 N ALA A 53 129.482 -8.718 5.560 1.00 0.00 N ATOM 820 CA ALA A 53 130.538 -7.732 5.757 1.00 0.00 C ATOM 821 C ALA A 53 130.167 -6.408 5.097 1.00 0.00 C ATOM 822 O ALA A 53 130.481 -5.336 5.615 1.00 0.00 O ATOM 823 CB ALA A 53 131.852 -8.248 5.167 1.00 0.00 C ATOM 0 H ALA A 53 129.711 -9.463 4.902 1.00 0.00 H new ATOM 0 HA ALA A 53 130.660 -7.569 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 53 132.635 -7.505 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 53 132.133 -9.178 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 53 131.725 -8.429 4.100 1.00 0.00 H new ATOM 829 N VAL A 54 129.499 -6.489 3.951 1.00 0.00 N ATOM 830 CA VAL A 54 129.090 -5.289 3.230 1.00 0.00 C ATOM 831 C VAL A 54 128.221 -4.403 4.115 1.00 0.00 C ATOM 832 O VAL A 54 128.452 -3.199 4.221 1.00 0.00 O ATOM 833 CB VAL A 54 128.316 -5.675 1.969 1.00 0.00 C ATOM 834 CG1 VAL A 54 127.985 -4.416 1.167 1.00 0.00 C ATOM 835 CG2 VAL A 54 129.170 -6.614 1.115 1.00 0.00 C ATOM 0 H VAL A 54 129.231 -7.366 3.504 1.00 0.00 H new ATOM 0 HA VAL A 54 129.985 -4.734 2.949 1.00 0.00 H new ATOM 0 HB VAL A 54 127.391 -6.179 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 54 127.433 -4.692 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 54 127.377 -3.747 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 54 128.909 -3.911 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 54 128.619 -6.890 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 54 130.095 -6.110 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 54 129.405 -7.512 1.686 1.00 0.00 H new ATOM 845 N ASP A 55 127.221 -5.007 4.750 1.00 0.00 N ATOM 846 CA ASP A 55 126.325 -4.262 5.626 1.00 0.00 C ATOM 847 C ASP A 55 127.070 -3.775 6.865 1.00 0.00 C ATOM 848 O ASP A 55 126.772 -2.708 7.401 1.00 0.00 O ATOM 849 CB ASP A 55 125.151 -5.148 6.049 1.00 0.00 C ATOM 850 CG ASP A 55 124.108 -4.315 6.785 1.00 0.00 C ATOM 851 OD1 ASP A 55 123.285 -3.709 6.119 1.00 0.00 O ATOM 852 OD2 ASP A 55 124.149 -4.294 8.005 1.00 0.00 O ATOM 0 H ASP A 55 127.012 -6.003 4.675 1.00 0.00 H new ATOM 0 HA ASP A 55 125.948 -3.398 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 55 124.703 -5.615 5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 55 125.506 -5.953 6.693 1.00 0.00 H new ATOM 857 N LYS A 56 128.040 -4.566 7.312 1.00 0.00 N ATOM 858 CA LYS A 56 128.823 -4.207 8.490 1.00 0.00 C ATOM 859 C LYS A 56 129.513 -2.862 8.285 1.00 0.00 C ATOM 860 O LYS A 56 129.670 -2.084 9.226 1.00 0.00 O ATOM 861 CB LYS A 56 129.873 -5.284 8.766 1.00 0.00 C ATOM 862 CG LYS A 56 130.650 -4.927 10.035 1.00 0.00 C ATOM 863 CD LYS A 56 131.657 -6.035 10.348 1.00 0.00 C ATOM 864 CE LYS A 56 132.369 -5.720 11.665 1.00 0.00 C ATOM 865 NZ LYS A 56 133.574 -6.587 11.797 1.00 0.00 N ATOM 0 H LYS A 56 128.302 -5.453 6.881 1.00 0.00 H new ATOM 0 HA LYS A 56 128.148 -4.130 9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 56 129.391 -6.255 8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 56 130.556 -5.367 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 56 131.168 -3.978 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 56 129.962 -4.800 10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 56 131.147 -6.996 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 56 132.384 -6.119 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 56 132.659 -4.670 11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 56 131.694 -5.886 12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 134.059 -6.374 12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 133.285 -7.586 11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 134.220 -6.407 11.002 1.00 0.00 H new ATOM 879 N VAL A 57 129.923 -2.595 7.050 1.00 0.00 N ATOM 880 CA VAL A 57 130.595 -1.340 6.733 1.00 0.00 C ATOM 881 C VAL A 57 129.577 -0.224 6.523 1.00 0.00 C ATOM 882 O VAL A 57 129.787 0.910 6.953 1.00 0.00 O ATOM 883 CB VAL A 57 131.441 -1.505 5.470 1.00 0.00 C ATOM 884 CG1 VAL A 57 132.049 -0.156 5.082 1.00 0.00 C ATOM 885 CG2 VAL A 57 132.563 -2.511 5.736 1.00 0.00 C ATOM 0 H VAL A 57 129.803 -3.225 6.257 1.00 0.00 H new ATOM 0 HA VAL A 57 131.240 -1.074 7.570 1.00 0.00 H new ATOM 0 HB VAL A 57 130.812 -1.867 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 57 132.652 -0.274 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 57 131.251 0.562 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 57 132.678 0.207 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 57 133.167 -2.629 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 57 133.191 -2.148 6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 57 132.131 -3.473 6.012 1.00 0.00 H new ATOM 895 N MET A 58 128.475 -0.553 5.857 1.00 0.00 N ATOM 896 CA MET A 58 127.431 0.431 5.593 1.00 0.00 C ATOM 897 C MET A 58 126.794 0.904 6.896 1.00 0.00 C ATOM 898 O MET A 58 126.596 2.101 7.102 1.00 0.00 O ATOM 899 CB MET A 58 126.358 -0.177 4.688 1.00 0.00 C ATOM 900 CG MET A 58 126.972 -0.525 3.330 1.00 0.00 C ATOM 901 SD MET A 58 127.364 1.000 2.437 1.00 0.00 S ATOM 902 CE MET A 58 128.770 0.357 1.497 1.00 0.00 C ATOM 0 H MET A 58 128.282 -1.486 5.493 1.00 0.00 H new ATOM 0 HA MET A 58 127.884 1.288 5.094 1.00 0.00 H new ATOM 0 HB2 MET A 58 125.941 -1.072 5.151 1.00 0.00 H new ATOM 0 HB3 MET A 58 125.536 0.527 4.558 1.00 0.00 H new ATOM 0 HG2 MET A 58 127.875 -1.120 3.469 1.00 0.00 H new ATOM 0 HG3 MET A 58 126.277 -1.131 2.749 1.00 0.00 H new ATOM 0 HE1 MET A 58 129.176 1.146 0.864 1.00 0.00 H new ATOM 0 HE2 MET A 58 129.541 0.011 2.186 1.00 0.00 H new ATOM 0 HE3 MET A 58 128.441 -0.474 0.874 1.00 0.00 H new ATOM 912 N LYS A 59 126.471 -0.043 7.770 1.00 0.00 N ATOM 913 CA LYS A 59 125.854 0.292 9.049 1.00 0.00 C ATOM 914 C LYS A 59 126.826 1.077 9.924 1.00 0.00 C ATOM 915 O LYS A 59 126.413 1.867 10.772 1.00 0.00 O ATOM 916 CB LYS A 59 125.419 -0.988 9.773 1.00 0.00 C ATOM 917 CG LYS A 59 126.652 -1.738 10.307 1.00 0.00 C ATOM 918 CD LYS A 59 126.857 -1.424 11.793 1.00 0.00 C ATOM 919 CE LYS A 59 128.319 -1.670 12.170 1.00 0.00 C ATOM 920 NZ LYS A 59 128.486 -1.507 13.642 1.00 0.00 N ATOM 0 H LYS A 59 126.624 -1.040 7.619 1.00 0.00 H new ATOM 0 HA LYS A 59 124.978 0.912 8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 59 124.750 -0.740 10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 59 124.861 -1.629 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 59 126.522 -2.811 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 59 127.537 -1.448 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 59 126.587 -0.388 11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 59 126.203 -2.049 12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 59 128.620 -2.673 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 59 128.965 -0.970 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 129.491 -1.353 13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 127.931 -0.689 13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 128.153 -2.365 14.126 1.00 0.00 H new ATOM 934 N GLU A 60 128.119 0.854 9.711 1.00 0.00 N ATOM 935 CA GLU A 60 129.141 1.549 10.487 1.00 0.00 C ATOM 936 C GLU A 60 129.033 3.057 10.284 1.00 0.00 C ATOM 937 O GLU A 60 129.152 3.830 11.235 1.00 0.00 O ATOM 938 CB GLU A 60 130.532 1.073 10.065 1.00 0.00 C ATOM 939 CG GLU A 60 131.589 1.735 10.951 1.00 0.00 C ATOM 940 CD GLU A 60 132.985 1.310 10.507 1.00 0.00 C ATOM 941 OE1 GLU A 60 133.080 0.611 9.511 1.00 0.00 O ATOM 942 OE2 GLU A 60 133.937 1.689 11.168 1.00 0.00 O ATOM 0 H GLU A 60 128.482 0.204 9.014 1.00 0.00 H new ATOM 0 HA GLU A 60 128.986 1.323 11.542 1.00 0.00 H new ATOM 0 HB2 GLU A 60 130.598 -0.012 10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 60 130.711 1.322 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 60 131.495 2.819 10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 60 131.429 1.455 11.992 1.00 0.00 H new ATOM 949 N LEU A 61 128.807 3.466 9.041 1.00 0.00 N ATOM 950 CA LEU A 61 128.684 4.885 8.724 1.00 0.00 C ATOM 951 C LEU A 61 127.317 5.412 9.149 1.00 0.00 C ATOM 952 O LEU A 61 127.180 6.576 9.527 1.00 0.00 O ATOM 953 CB LEU A 61 128.873 5.104 7.222 1.00 0.00 C ATOM 954 CG LEU A 61 130.125 4.363 6.750 1.00 0.00 C ATOM 955 CD1 LEU A 61 130.307 4.574 5.246 1.00 0.00 C ATOM 956 CD2 LEU A 61 131.347 4.906 7.494 1.00 0.00 C ATOM 0 H LEU A 61 128.706 2.841 8.241 1.00 0.00 H new ATOM 0 HA LEU A 61 129.456 5.428 9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 61 127.999 4.745 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 61 128.966 6.169 7.008 1.00 0.00 H new ATOM 0 HG LEU A 61 130.017 3.298 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 61 131.199 4.046 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 61 129.436 4.188 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 61 130.416 5.639 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 61 132.241 4.379 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 61 131.455 5.971 7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.217 4.755 8.566 1.00 0.00 H new ATOM 968 N ASP A 62 126.308 4.549 9.081 1.00 0.00 N ATOM 969 CA ASP A 62 124.955 4.939 9.459 1.00 0.00 C ATOM 970 C ASP A 62 124.921 5.437 10.901 1.00 0.00 C ATOM 971 O ASP A 62 124.246 6.417 11.214 1.00 0.00 O ATOM 972 CB ASP A 62 124.006 3.749 9.306 1.00 0.00 C ATOM 973 CG ASP A 62 122.559 4.230 9.321 1.00 0.00 C ATOM 974 OD1 ASP A 62 122.321 5.341 8.877 1.00 0.00 O ATOM 975 OD2 ASP A 62 121.712 3.479 9.775 1.00 0.00 O ATOM 0 H ASP A 62 126.401 3.582 8.770 1.00 0.00 H new ATOM 0 HA ASP A 62 124.634 5.747 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 62 124.214 3.225 8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 62 124.169 3.037 10.115 1.00 0.00 H new ATOM 980 N GLU A 63 125.654 4.754 11.775 1.00 0.00 N ATOM 981 CA GLU A 63 125.700 5.136 13.181 1.00 0.00 C ATOM 982 C GLU A 63 126.043 6.615 13.324 1.00 0.00 C ATOM 983 O GLU A 63 125.160 7.452 13.512 1.00 0.00 O ATOM 984 CB GLU A 63 126.743 4.295 13.918 1.00 0.00 C ATOM 985 CG GLU A 63 126.273 2.840 13.985 1.00 0.00 C ATOM 986 CD GLU A 63 127.290 1.999 14.750 1.00 0.00 C ATOM 987 OE1 GLU A 63 128.399 2.471 14.937 1.00 0.00 O ATOM 988 OE2 GLU A 63 126.944 0.895 15.138 1.00 0.00 O ATOM 0 H GLU A 63 126.220 3.940 11.537 1.00 0.00 H new ATOM 0 HA GLU A 63 124.717 4.959 13.618 1.00 0.00 H new ATOM 0 HB2 GLU A 63 127.702 4.355 13.404 1.00 0.00 H new ATOM 0 HB3 GLU A 63 126.895 4.686 14.924 1.00 0.00 H new ATOM 0 HG2 GLU A 63 125.301 2.785 14.475 1.00 0.00 H new ATOM 0 HG3 GLU A 63 126.145 2.444 12.978 1.00 0.00 H new ATOM 995 N ASN A 64 127.332 6.930 13.232 1.00 0.00 N ATOM 996 CA ASN A 64 127.784 8.312 13.352 1.00 0.00 C ATOM 997 C ASN A 64 128.050 8.911 11.975 1.00 0.00 C ATOM 998 O ASN A 64 129.039 8.576 11.323 1.00 0.00 O ATOM 999 CB ASN A 64 129.062 8.371 14.191 1.00 0.00 C ATOM 1000 CG ASN A 64 128.801 7.799 15.580 1.00 0.00 C ATOM 1001 OD1 ASN A 64 127.593 7.425 15.905 1.00 0.00 O flip ATOM 1002 ND2 ASN A 64 129.720 7.690 16.392 1.00 0.00 N flip ATOM 0 H ASN A 64 128.077 6.252 13.076 1.00 0.00 H new ATOM 0 HA ASN A 64 127.000 8.890 13.841 1.00 0.00 H new ATOM 0 HB2 ASN A 64 129.855 7.808 13.700 1.00 0.00 H new ATOM 0 HB3 ASN A 64 129.406 9.402 14.272 1.00 0.00 H new ATOM 0 HD21 ASN A 64 130.663 7.982 16.137 1.00 0.00 H new ATOM 0 HD22 ASN A 64 129.538 7.307 17.320 1.00 0.00 H new ATOM 1009 N GLY A 65 127.160 9.797 11.538 1.00 0.00 N ATOM 1010 CA GLY A 65 127.309 10.437 10.235 1.00 0.00 C ATOM 1011 C GLY A 65 127.927 11.823 10.376 1.00 0.00 C ATOM 1012 O GLY A 65 128.502 12.356 9.428 1.00 0.00 O ATOM 0 H GLY A 65 126.334 10.087 12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 65 127.935 9.819 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 65 126.336 10.516 9.751 1.00 0.00 H new ATOM 1016 N ASP A 66 127.804 12.402 11.567 1.00 0.00 N ATOM 1017 CA ASP A 66 128.354 13.728 11.822 1.00 0.00 C ATOM 1018 C ASP A 66 129.875 13.710 11.705 1.00 0.00 C ATOM 1019 O ASP A 66 130.492 14.721 11.368 1.00 0.00 O ATOM 1020 CB ASP A 66 127.953 14.198 13.221 1.00 0.00 C ATOM 1021 CG ASP A 66 128.600 13.308 14.277 1.00 0.00 C ATOM 1022 OD1 ASP A 66 129.729 13.584 14.646 1.00 0.00 O ATOM 1023 OD2 ASP A 66 127.955 12.362 14.701 1.00 0.00 O ATOM 0 H ASP A 66 127.332 11.977 12.365 1.00 0.00 H new ATOM 0 HA ASP A 66 127.953 14.417 11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 66 128.261 15.233 13.368 1.00 0.00 H new ATOM 0 HB3 ASP A 66 126.868 14.171 13.326 1.00 0.00 H new ATOM 1028 N GLY A 67 130.474 12.557 11.984 1.00 0.00 N ATOM 1029 CA GLY A 67 131.924 12.423 11.906 1.00 0.00 C ATOM 1030 C GLY A 67 132.393 12.408 10.456 1.00 0.00 C ATOM 1031 O GLY A 67 131.592 12.553 9.532 1.00 0.00 O ATOM 0 H GLY A 67 129.983 11.708 12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 67 132.398 13.248 12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 67 132.235 11.504 12.402 1.00 0.00 H new ATOM 1035 N GLU A 68 133.698 12.232 10.262 1.00 0.00 N ATOM 1036 CA GLU A 68 134.265 12.199 8.918 1.00 0.00 C ATOM 1037 C GLU A 68 135.379 11.160 8.832 1.00 0.00 C ATOM 1038 O GLU A 68 135.638 10.432 9.790 1.00 0.00 O ATOM 1039 CB GLU A 68 134.820 13.576 8.549 1.00 0.00 C ATOM 1040 CG GLU A 68 135.513 14.191 9.767 1.00 0.00 C ATOM 1041 CD GLU A 68 134.472 14.695 10.762 1.00 0.00 C ATOM 1042 OE1 GLU A 68 133.324 14.828 10.370 1.00 0.00 O ATOM 1043 OE2 GLU A 68 134.839 14.940 11.899 1.00 0.00 O ATOM 0 H GLU A 68 134.378 12.111 11.013 1.00 0.00 H new ATOM 0 HA GLU A 68 133.475 11.928 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 68 135.526 13.486 7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 68 134.013 14.226 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 68 136.154 13.449 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 68 136.156 15.013 9.453 1.00 0.00 H new ATOM 1050 N VAL A 69 136.034 11.097 7.676 1.00 0.00 N ATOM 1051 CA VAL A 69 137.120 10.142 7.473 1.00 0.00 C ATOM 1052 C VAL A 69 138.248 10.776 6.665 1.00 0.00 C ATOM 1053 O VAL A 69 138.048 11.787 5.990 1.00 0.00 O ATOM 1054 CB VAL A 69 136.595 8.908 6.739 1.00 0.00 C ATOM 1055 CG1 VAL A 69 135.916 7.970 7.739 1.00 0.00 C ATOM 1056 CG2 VAL A 69 135.580 9.341 5.678 1.00 0.00 C ATOM 0 H VAL A 69 135.834 11.691 6.871 1.00 0.00 H new ATOM 0 HA VAL A 69 137.509 9.848 8.448 1.00 0.00 H new ATOM 0 HB VAL A 69 137.425 8.389 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 69 135.542 7.090 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 69 136.637 7.662 8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 69 135.085 8.488 8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 69 135.205 8.462 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 69 134.750 9.859 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 69 136.062 10.011 4.965 1.00 0.00 H new ATOM 1066 N ASP A 70 139.432 10.176 6.737 1.00 0.00 N ATOM 1067 CA ASP A 70 140.585 10.694 6.007 1.00 0.00 C ATOM 1068 C ASP A 70 140.732 9.988 4.663 1.00 0.00 C ATOM 1069 O ASP A 70 139.915 9.139 4.304 1.00 0.00 O ATOM 1070 CB ASP A 70 141.858 10.492 6.832 1.00 0.00 C ATOM 1071 CG ASP A 70 141.815 11.368 8.080 1.00 0.00 C ATOM 1072 OD1 ASP A 70 141.015 12.289 8.106 1.00 0.00 O ATOM 1073 OD2 ASP A 70 142.582 11.104 8.991 1.00 0.00 O ATOM 0 H ASP A 70 139.618 9.338 7.288 1.00 0.00 H new ATOM 0 HA ASP A 70 140.430 11.758 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 70 141.955 9.444 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 70 142.733 10.742 6.232 1.00 0.00 H new ATOM 1078 N PHE A 71 141.777 10.346 3.923 1.00 0.00 N ATOM 1079 CA PHE A 71 142.020 9.741 2.618 1.00 0.00 C ATOM 1080 C PHE A 71 142.370 8.264 2.767 1.00 0.00 C ATOM 1081 O PHE A 71 141.801 7.411 2.087 1.00 0.00 O ATOM 1082 CB PHE A 71 143.164 10.470 1.911 1.00 0.00 C ATOM 1083 CG PHE A 71 143.574 9.695 0.681 1.00 0.00 C ATOM 1084 CD1 PHE A 71 142.771 9.722 -0.465 1.00 0.00 C ATOM 1085 CD2 PHE A 71 144.758 8.947 0.688 1.00 0.00 C ATOM 1086 CE1 PHE A 71 143.152 9.002 -1.603 1.00 0.00 C ATOM 1087 CE2 PHE A 71 145.138 8.227 -0.450 1.00 0.00 C ATOM 1088 CZ PHE A 71 144.336 8.254 -1.596 1.00 0.00 C ATOM 0 H PHE A 71 142.464 11.046 4.202 1.00 0.00 H new ATOM 0 HA PHE A 71 141.111 9.828 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 71 142.850 11.476 1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 71 144.013 10.577 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 71 141.858 10.298 -0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 71 145.378 8.926 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 71 142.532 9.023 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 71 146.051 7.650 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 71 144.630 7.699 -2.474 1.00 0.00 H new ATOM 1098 N GLN A 72 143.310 7.968 3.658 1.00 0.00 N ATOM 1099 CA GLN A 72 143.726 6.588 3.882 1.00 0.00 C ATOM 1100 C GLN A 72 142.525 5.717 4.232 1.00 0.00 C ATOM 1101 O GLN A 72 142.409 4.586 3.762 1.00 0.00 O ATOM 1102 CB GLN A 72 144.753 6.527 5.016 1.00 0.00 C ATOM 1103 CG GLN A 72 144.259 7.356 6.202 1.00 0.00 C ATOM 1104 CD GLN A 72 145.268 7.285 7.344 1.00 0.00 C ATOM 1105 OE1 GLN A 72 146.231 6.405 7.297 1.00 0.00 O flip ATOM 1106 NE2 GLN A 72 145.175 8.049 8.304 1.00 0.00 N flip ATOM 0 H GLN A 72 143.795 8.658 4.232 1.00 0.00 H new ATOM 0 HA GLN A 72 144.178 6.212 2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 72 144.910 5.493 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 72 145.715 6.906 4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 72 144.115 8.392 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 72 143.291 6.985 6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 72 144.422 8.736 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 72 145.851 7.996 9.066 1.00 0.00 H new ATOM 1115 N GLU A 73 141.632 6.251 5.060 1.00 0.00 N ATOM 1116 CA GLU A 73 140.442 5.512 5.466 1.00 0.00 C ATOM 1117 C GLU A 73 139.680 5.006 4.244 1.00 0.00 C ATOM 1118 O GLU A 73 139.234 3.858 4.213 1.00 0.00 O ATOM 1119 CB GLU A 73 139.531 6.411 6.303 1.00 0.00 C ATOM 1120 CG GLU A 73 140.167 6.648 7.675 1.00 0.00 C ATOM 1121 CD GLU A 73 139.824 5.497 8.615 1.00 0.00 C ATOM 1122 OE1 GLU A 73 138.659 5.357 8.949 1.00 0.00 O ATOM 1123 OE2 GLU A 73 140.732 4.772 8.987 1.00 0.00 O ATOM 0 H GLU A 73 141.709 7.186 5.460 1.00 0.00 H new ATOM 0 HA GLU A 73 140.755 4.655 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 73 139.374 7.362 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 73 138.552 5.947 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 73 141.249 6.735 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 73 139.809 7.589 8.093 1.00 0.00 H new ATOM 1130 N TYR A 74 139.539 5.866 3.240 1.00 0.00 N ATOM 1131 CA TYR A 74 138.831 5.492 2.021 1.00 0.00 C ATOM 1132 C TYR A 74 139.502 4.287 1.365 1.00 0.00 C ATOM 1133 O TYR A 74 138.836 3.442 0.769 1.00 0.00 O ATOM 1134 CB TYR A 74 138.813 6.678 1.046 1.00 0.00 C ATOM 1135 CG TYR A 74 138.457 6.202 -0.345 1.00 0.00 C ATOM 1136 CD1 TYR A 74 137.115 6.031 -0.709 1.00 0.00 C ATOM 1137 CD2 TYR A 74 139.472 5.931 -1.270 1.00 0.00 C ATOM 1138 CE1 TYR A 74 136.791 5.590 -1.998 1.00 0.00 C ATOM 1139 CE2 TYR A 74 139.147 5.490 -2.559 1.00 0.00 C ATOM 1140 CZ TYR A 74 137.807 5.319 -2.922 1.00 0.00 C ATOM 1141 OH TYR A 74 137.486 4.885 -4.192 1.00 0.00 O ATOM 0 H TYR A 74 139.902 6.819 3.246 1.00 0.00 H new ATOM 0 HA TYR A 74 137.806 5.223 2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 74 138.090 7.422 1.380 1.00 0.00 H new ATOM 0 HB3 TYR A 74 139.789 7.164 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 74 136.331 6.239 0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 74 140.507 6.062 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 74 135.757 5.459 -2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 74 139.931 5.282 -3.272 1.00 0.00 H new ATOM 0 HH TYR A 74 138.269 4.972 -4.775 1.00 0.00 H new ATOM 1151 N VAL A 75 140.825 4.217 1.476 1.00 0.00 N ATOM 1152 CA VAL A 75 141.573 3.113 0.887 1.00 0.00 C ATOM 1153 C VAL A 75 141.364 1.829 1.687 1.00 0.00 C ATOM 1154 O VAL A 75 141.491 0.728 1.152 1.00 0.00 O ATOM 1155 CB VAL A 75 143.063 3.457 0.838 1.00 0.00 C ATOM 1156 CG1 VAL A 75 143.871 2.201 0.498 1.00 0.00 C ATOM 1157 CG2 VAL A 75 143.298 4.521 -0.236 1.00 0.00 C ATOM 0 H VAL A 75 141.397 4.906 1.964 1.00 0.00 H new ATOM 0 HA VAL A 75 141.206 2.953 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 75 143.382 3.837 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 75 144.932 2.449 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 75 143.700 1.441 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 75 143.557 1.818 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 75 144.358 4.770 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 75 142.979 4.137 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 75 142.724 5.415 0.006 1.00 0.00 H new ATOM 1167 N VAL A 76 141.045 1.977 2.969 1.00 0.00 N ATOM 1168 CA VAL A 76 140.824 0.818 3.827 1.00 0.00 C ATOM 1169 C VAL A 76 139.479 0.166 3.518 1.00 0.00 C ATOM 1170 O VAL A 76 139.377 -1.057 3.426 1.00 0.00 O ATOM 1171 CB VAL A 76 140.859 1.238 5.298 1.00 0.00 C ATOM 1172 CG1 VAL A 76 140.702 0.001 6.185 1.00 0.00 C ATOM 1173 CG2 VAL A 76 142.195 1.920 5.604 1.00 0.00 C ATOM 0 H VAL A 76 140.935 2.879 3.433 1.00 0.00 H new ATOM 0 HA VAL A 76 141.618 0.097 3.635 1.00 0.00 H new ATOM 0 HB VAL A 76 140.044 1.934 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 76 140.727 0.299 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 76 139.750 -0.484 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 76 141.517 -0.695 5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 76 142.219 2.219 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 76 143.012 1.226 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 76 142.307 2.801 4.973 1.00 0.00 H new ATOM 1183 N LEU A 77 138.448 0.992 3.362 1.00 0.00 N ATOM 1184 CA LEU A 77 137.111 0.485 3.069 1.00 0.00 C ATOM 1185 C LEU A 77 137.102 -0.282 1.749 1.00 0.00 C ATOM 1186 O LEU A 77 136.736 -1.457 1.706 1.00 0.00 O ATOM 1187 CB LEU A 77 136.118 1.646 2.993 1.00 0.00 C ATOM 1188 CG LEU A 77 136.164 2.444 4.298 1.00 0.00 C ATOM 1189 CD1 LEU A 77 135.218 3.642 4.196 1.00 0.00 C ATOM 1190 CD2 LEU A 77 135.725 1.549 5.460 1.00 0.00 C ATOM 0 H LEU A 77 138.511 2.008 3.433 1.00 0.00 H new ATOM 0 HA LEU A 77 136.818 -0.193 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 77 136.362 2.293 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 77 135.111 1.266 2.822 1.00 0.00 H new ATOM 0 HG LEU A 77 137.181 2.795 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 77 135.250 4.211 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 77 135.527 4.281 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 77 134.202 3.289 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 77 135.758 2.117 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 77 134.708 1.198 5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 77 136.396 0.693 5.534 1.00 0.00 H new ATOM 1202 N VAL A 78 137.502 0.391 0.675 1.00 0.00 N ATOM 1203 CA VAL A 78 137.530 -0.240 -0.641 1.00 0.00 C ATOM 1204 C VAL A 78 138.195 -1.611 -0.566 1.00 0.00 C ATOM 1205 O VAL A 78 137.773 -2.551 -1.239 1.00 0.00 O ATOM 1206 CB VAL A 78 138.294 0.646 -1.626 1.00 0.00 C ATOM 1207 CG1 VAL A 78 137.522 1.947 -1.848 1.00 0.00 C ATOM 1208 CG2 VAL A 78 139.676 0.966 -1.055 1.00 0.00 C ATOM 0 H VAL A 78 137.809 1.364 0.688 1.00 0.00 H new ATOM 0 HA VAL A 78 136.503 -0.367 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 78 138.404 0.122 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 78 138.067 2.578 -2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 78 136.536 1.720 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 78 137.412 2.471 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 78 140.222 1.597 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 78 139.565 1.490 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 78 140.228 0.039 -0.896 1.00 0.00 H new ATOM 1218 N ALA A 79 139.235 -1.716 0.253 1.00 0.00 N ATOM 1219 CA ALA A 79 139.952 -2.978 0.405 1.00 0.00 C ATOM 1220 C ALA A 79 139.053 -4.034 1.044 1.00 0.00 C ATOM 1221 O ALA A 79 139.171 -5.223 0.748 1.00 0.00 O ATOM 1222 CB ALA A 79 141.198 -2.769 1.268 1.00 0.00 C ATOM 0 H ALA A 79 139.599 -0.949 0.818 1.00 0.00 H new ATOM 0 HA ALA A 79 140.251 -3.327 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 79 141.728 -3.715 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 79 141.853 -2.039 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 79 140.902 -2.403 2.251 1.00 0.00 H new ATOM 1228 N ALA A 80 138.160 -3.592 1.923 1.00 0.00 N ATOM 1229 CA ALA A 80 137.251 -4.510 2.601 1.00 0.00 C ATOM 1230 C ALA A 80 136.222 -5.071 1.624 1.00 0.00 C ATOM 1231 O ALA A 80 135.997 -6.279 1.572 1.00 0.00 O ATOM 1232 CB ALA A 80 136.532 -3.787 3.742 1.00 0.00 C ATOM 0 H ALA A 80 138.046 -2.612 2.181 1.00 0.00 H new ATOM 0 HA ALA A 80 137.837 -5.335 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 80 135.855 -4.480 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 80 137.266 -3.416 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 80 135.962 -2.950 3.340 1.00 0.00 H new ATOM 1238 N LEU A 81 135.601 -4.186 0.852 1.00 0.00 N ATOM 1239 CA LEU A 81 134.596 -4.607 -0.119 1.00 0.00 C ATOM 1240 C LEU A 81 135.218 -5.523 -1.170 1.00 0.00 C ATOM 1241 O LEU A 81 134.588 -6.478 -1.623 1.00 0.00 O ATOM 1242 CB LEU A 81 133.986 -3.382 -0.806 1.00 0.00 C ATOM 1243 CG LEU A 81 132.929 -2.748 0.107 1.00 0.00 C ATOM 1244 CD1 LEU A 81 131.703 -3.669 0.217 1.00 0.00 C ATOM 1245 CD2 LEU A 81 133.529 -2.522 1.498 1.00 0.00 C ATOM 0 H LEU A 81 135.773 -3.181 0.878 1.00 0.00 H new ATOM 0 HA LEU A 81 133.815 -5.154 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 81 134.766 -2.655 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 81 133.534 -3.673 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 81 132.616 -1.794 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 81 130.959 -3.209 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 81 131.274 -3.823 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 81 132.006 -4.629 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 81 132.780 -2.071 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 81 133.846 -3.477 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 81 134.389 -1.857 1.420 1.00 0.00 H new ATOM 1257 N THR A 82 136.455 -5.224 -1.551 1.00 0.00 N ATOM 1258 CA THR A 82 137.151 -6.027 -2.551 1.00 0.00 C ATOM 1259 C THR A 82 137.240 -7.483 -2.105 1.00 0.00 C ATOM 1260 O THR A 82 137.101 -8.399 -2.916 1.00 0.00 O ATOM 1261 CB THR A 82 138.560 -5.474 -2.775 1.00 0.00 C ATOM 1262 OG1 THR A 82 138.474 -4.121 -3.199 1.00 0.00 O ATOM 1263 CG2 THR A 82 139.271 -6.302 -3.845 1.00 0.00 C ATOM 0 H THR A 82 136.993 -4.438 -1.186 1.00 0.00 H new ATOM 0 HA THR A 82 136.588 -5.979 -3.483 1.00 0.00 H new ATOM 0 HB THR A 82 139.124 -5.528 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 82 139.351 -3.693 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 82 140.274 -5.907 -4.004 1.00 0.00 H new ATOM 0 HG22 THR A 82 139.337 -7.340 -3.518 1.00 0.00 H new ATOM 0 HG23 THR A 82 138.709 -6.251 -4.778 1.00 0.00 H new ATOM 1271 N VAL A 83 137.474 -7.689 -0.813 1.00 0.00 N ATOM 1272 CA VAL A 83 137.582 -9.040 -0.274 1.00 0.00 C ATOM 1273 C VAL A 83 136.245 -9.769 -0.373 1.00 0.00 C ATOM 1274 O VAL A 83 136.192 -10.938 -0.753 1.00 0.00 O ATOM 1275 CB VAL A 83 138.026 -8.983 1.189 1.00 0.00 C ATOM 1276 CG1 VAL A 83 138.049 -10.397 1.772 1.00 0.00 C ATOM 1277 CG2 VAL A 83 139.429 -8.376 1.270 1.00 0.00 C ATOM 0 H VAL A 83 137.592 -6.945 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 83 138.322 -9.585 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 83 137.328 -8.368 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 83 138.365 -10.356 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 83 137.051 -10.831 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 83 138.747 -11.013 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 83 139.748 -8.334 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 83 140.126 -8.992 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 83 139.414 -7.368 0.854 1.00 0.00 H new ATOM 1287 N ALA A 84 135.168 -9.070 -0.027 1.00 0.00 N ATOM 1288 CA ALA A 84 133.836 -9.662 -0.081 1.00 0.00 C ATOM 1289 C ALA A 84 133.445 -9.985 -1.521 1.00 0.00 C ATOM 1290 O ALA A 84 132.877 -11.041 -1.798 1.00 0.00 O ATOM 1291 CB ALA A 84 132.813 -8.701 0.524 1.00 0.00 C ATOM 0 H ALA A 84 135.191 -8.101 0.291 1.00 0.00 H new ATOM 0 HA ALA A 84 133.850 -10.588 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 84 131.821 -9.151 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 84 133.074 -8.499 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 84 132.814 -7.767 -0.039 1.00 0.00 H new ATOM 1297 N CYS A 85 133.750 -9.066 -2.431 1.00 0.00 N ATOM 1298 CA CYS A 85 133.424 -9.263 -3.839 1.00 0.00 C ATOM 1299 C CYS A 85 134.284 -10.372 -4.439 1.00 0.00 C ATOM 1300 O CYS A 85 133.779 -11.254 -5.134 1.00 0.00 O ATOM 1301 CB CYS A 85 133.651 -7.964 -4.614 1.00 0.00 C ATOM 1302 SG CYS A 85 132.972 -8.131 -6.284 1.00 0.00 S ATOM 0 H CYS A 85 134.219 -8.184 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 85 132.376 -9.552 -3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 85 133.173 -7.132 -4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 85 134.716 -7.739 -4.664 1.00 0.00 H new ATOM 0 HG CYS A 85 131.798 -8.687 -6.222 1.00 0.00 H new ATOM 1308 N ASN A 86 135.583 -10.320 -4.167 1.00 0.00 N ATOM 1309 CA ASN A 86 136.502 -11.326 -4.687 1.00 0.00 C ATOM 1310 C ASN A 86 136.248 -12.676 -4.025 1.00 0.00 C ATOM 1311 O ASN A 86 135.396 -12.796 -3.143 1.00 0.00 O ATOM 1312 CB ASN A 86 137.948 -10.895 -4.432 1.00 0.00 C ATOM 1313 CG ASN A 86 138.880 -11.589 -5.417 1.00 0.00 C ATOM 1314 OD1 ASN A 86 138.543 -11.670 -6.676 1.00 0.00 O flip ATOM 1315 ND2 ASN A 86 139.946 -12.070 -5.032 1.00 0.00 N flip ATOM 0 H ASN A 86 136.021 -9.598 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 86 136.336 -11.423 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 86 138.037 -9.814 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 86 138.235 -11.143 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 86 140.209 -12.006 -4.048 1.00 0.00 H new ATOM 0 HD22 ASN A 86 140.567 -12.532 -5.697 1.00 0.00 H new ATOM 1460 N GLU B 3 137.063 3.297 -12.961 1.00 0.00 N ATOM 1461 CA GLU B 3 138.504 3.317 -12.744 1.00 0.00 C ATOM 1462 C GLU B 3 138.852 2.720 -11.384 1.00 0.00 C ATOM 1463 O GLU B 3 139.882 2.063 -11.228 1.00 0.00 O ATOM 1464 CB GLU B 3 139.024 4.753 -12.822 1.00 0.00 C ATOM 1465 CG GLU B 3 138.815 5.296 -14.238 1.00 0.00 C ATOM 1466 CD GLU B 3 139.387 6.705 -14.346 1.00 0.00 C ATOM 1467 OE1 GLU B 3 139.829 7.223 -13.335 1.00 0.00 O ATOM 1468 OE2 GLU B 3 139.375 7.245 -15.441 1.00 0.00 O ATOM 0 HA GLU B 3 138.977 2.717 -13.521 1.00 0.00 H new ATOM 0 HB2 GLU B 3 138.501 5.380 -12.100 1.00 0.00 H new ATOM 0 HB3 GLU B 3 140.082 4.782 -12.562 1.00 0.00 H new ATOM 0 HG2 GLU B 3 139.300 4.641 -14.963 1.00 0.00 H new ATOM 0 HG3 GLU B 3 137.752 5.307 -14.479 1.00 0.00 H new ATOM 1475 N LEU B 4 137.989 2.953 -10.400 1.00 0.00 N ATOM 1476 CA LEU B 4 138.218 2.432 -9.057 1.00 0.00 C ATOM 1477 C LEU B 4 138.458 0.925 -9.105 1.00 0.00 C ATOM 1478 O LEU B 4 139.385 0.413 -8.477 1.00 0.00 O ATOM 1479 CB LEU B 4 137.008 2.738 -8.163 1.00 0.00 C ATOM 1480 CG LEU B 4 137.464 2.931 -6.713 1.00 0.00 C ATOM 1481 CD1 LEU B 4 136.240 3.079 -5.809 1.00 0.00 C ATOM 1482 CD2 LEU B 4 138.280 1.716 -6.265 1.00 0.00 C ATOM 0 H LEU B 4 137.131 3.495 -10.506 1.00 0.00 H new ATOM 0 HA LEU B 4 139.102 2.915 -8.642 1.00 0.00 H new ATOM 0 HB2 LEU B 4 136.502 3.636 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU B 4 136.287 1.923 -8.221 1.00 0.00 H new ATOM 0 HG LEU B 4 138.080 3.828 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU B 4 136.564 3.216 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU B 4 135.657 3.944 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU B 4 135.625 2.182 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU B 4 138.603 1.855 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU B 4 137.665 0.819 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU B 4 139.154 1.607 -6.908 1.00 0.00 H new ATOM 1494 N GLU B 5 137.617 0.222 -9.856 1.00 0.00 N ATOM 1495 CA GLU B 5 137.747 -1.226 -9.981 1.00 0.00 C ATOM 1496 C GLU B 5 139.093 -1.593 -10.596 1.00 0.00 C ATOM 1497 O GLU B 5 139.724 -2.571 -10.195 1.00 0.00 O ATOM 1498 CB GLU B 5 136.618 -1.776 -10.855 1.00 0.00 C ATOM 1499 CG GLU B 5 135.270 -1.496 -10.188 1.00 0.00 C ATOM 1500 CD GLU B 5 134.138 -2.055 -11.044 1.00 0.00 C ATOM 1501 OE1 GLU B 5 134.400 -2.399 -12.185 1.00 0.00 O ATOM 1502 OE2 GLU B 5 133.027 -2.132 -10.546 1.00 0.00 O ATOM 0 H GLU B 5 136.844 0.627 -10.384 1.00 0.00 H new ATOM 0 HA GLU B 5 137.684 -1.665 -8.985 1.00 0.00 H new ATOM 0 HB2 GLU B 5 136.650 -1.314 -11.842 1.00 0.00 H new ATOM 0 HB3 GLU B 5 136.747 -2.848 -11.001 1.00 0.00 H new ATOM 0 HG2 GLU B 5 135.245 -1.948 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU B 5 135.138 -0.423 -10.052 1.00 0.00 H new ATOM 1509 N THR B 6 139.525 -0.803 -11.573 1.00 0.00 N ATOM 1510 CA THR B 6 140.798 -1.054 -12.240 1.00 0.00 C ATOM 1511 C THR B 6 141.956 -0.931 -11.254 1.00 0.00 C ATOM 1512 O THR B 6 142.947 -1.656 -11.351 1.00 0.00 O ATOM 1513 CB THR B 6 140.993 -0.058 -13.385 1.00 0.00 C ATOM 1514 OG1 THR B 6 139.878 -0.126 -14.263 1.00 0.00 O ATOM 1515 CG2 THR B 6 142.270 -0.402 -14.152 1.00 0.00 C ATOM 0 H THR B 6 139.017 0.011 -11.919 1.00 0.00 H new ATOM 0 HA THR B 6 140.783 -2.068 -12.639 1.00 0.00 H new ATOM 0 HB THR B 6 141.077 0.950 -12.980 1.00 0.00 H new ATOM 0 HG1 THR B 6 140.000 0.512 -14.996 1.00 0.00 H new ATOM 0 HG21 THR B 6 142.407 0.308 -14.967 1.00 0.00 H new ATOM 0 HG22 THR B 6 143.125 -0.350 -13.478 1.00 0.00 H new ATOM 0 HG23 THR B 6 142.190 -1.410 -14.559 1.00 0.00 H new ATOM 1523 N ALA B 7 141.827 -0.008 -10.306 1.00 0.00 N ATOM 1524 CA ALA B 7 142.870 0.203 -9.309 1.00 0.00 C ATOM 1525 C ALA B 7 143.097 -1.064 -8.489 1.00 0.00 C ATOM 1526 O ALA B 7 144.235 -1.467 -8.255 1.00 0.00 O ATOM 1527 CB ALA B 7 142.478 1.351 -8.377 1.00 0.00 C ATOM 0 H ALA B 7 141.016 0.602 -10.207 1.00 0.00 H new ATOM 0 HA ALA B 7 143.794 0.455 -9.829 1.00 0.00 H new ATOM 0 HB1 ALA B 7 143.263 1.502 -7.635 1.00 0.00 H new ATOM 0 HB2 ALA B 7 142.348 2.264 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA B 7 141.544 1.107 -7.872 1.00 0.00 H new ATOM 1533 N MET B 8 142.005 -1.686 -8.054 1.00 0.00 N ATOM 1534 CA MET B 8 142.098 -2.905 -7.259 1.00 0.00 C ATOM 1535 C MET B 8 142.757 -4.023 -8.062 1.00 0.00 C ATOM 1536 O MET B 8 143.639 -4.722 -7.561 1.00 0.00 O ATOM 1537 CB MET B 8 140.703 -3.348 -6.814 1.00 0.00 C ATOM 1538 CG MET B 8 140.278 -2.542 -5.586 1.00 0.00 C ATOM 1539 SD MET B 8 140.970 -3.308 -4.097 1.00 0.00 S ATOM 1540 CE MET B 8 141.675 -1.807 -3.372 1.00 0.00 C ATOM 0 H MET B 8 141.053 -1.369 -8.237 1.00 0.00 H new ATOM 0 HA MET B 8 142.710 -2.696 -6.381 1.00 0.00 H new ATOM 0 HB2 MET B 8 139.988 -3.201 -7.624 1.00 0.00 H new ATOM 0 HB3 MET B 8 140.706 -4.413 -6.580 1.00 0.00 H new ATOM 0 HG2 MET B 8 140.626 -1.513 -5.674 1.00 0.00 H new ATOM 0 HG3 MET B 8 139.191 -2.506 -5.519 1.00 0.00 H new ATOM 0 HE1 MET B 8 142.161 -2.053 -2.428 1.00 0.00 H new ATOM 0 HE2 MET B 8 142.408 -1.381 -4.057 1.00 0.00 H new ATOM 0 HE3 MET B 8 140.881 -1.082 -3.194 1.00 0.00 H new ATOM 1550 N GLU B 9 142.323 -4.186 -9.307 1.00 0.00 N ATOM 1551 CA GLU B 9 142.879 -5.224 -10.168 1.00 0.00 C ATOM 1552 C GLU B 9 144.399 -5.121 -10.221 1.00 0.00 C ATOM 1553 O GLU B 9 145.093 -6.123 -10.398 1.00 0.00 O ATOM 1554 CB GLU B 9 142.308 -5.091 -11.581 1.00 0.00 C ATOM 1555 CG GLU B 9 140.821 -5.453 -11.570 1.00 0.00 C ATOM 1556 CD GLU B 9 140.647 -6.928 -11.220 1.00 0.00 C ATOM 1557 OE1 GLU B 9 141.614 -7.661 -11.334 1.00 0.00 O ATOM 1558 OE2 GLU B 9 139.548 -7.301 -10.844 1.00 0.00 O ATOM 0 H GLU B 9 141.594 -3.618 -9.740 1.00 0.00 H new ATOM 0 HA GLU B 9 142.607 -6.195 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU B 9 142.442 -4.072 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU B 9 142.847 -5.746 -12.265 1.00 0.00 H new ATOM 0 HG2 GLU B 9 140.293 -4.834 -10.845 1.00 0.00 H new ATOM 0 HG3 GLU B 9 140.381 -5.248 -12.546 1.00 0.00 H new ATOM 1565 N THR B 10 144.910 -3.904 -10.070 1.00 0.00 N ATOM 1566 CA THR B 10 146.351 -3.681 -10.105 1.00 0.00 C ATOM 1567 C THR B 10 147.002 -4.131 -8.800 1.00 0.00 C ATOM 1568 O THR B 10 148.092 -4.704 -8.802 1.00 0.00 O ATOM 1569 CB THR B 10 146.644 -2.197 -10.335 1.00 0.00 C ATOM 1570 OG1 THR B 10 145.955 -1.755 -11.496 1.00 0.00 O ATOM 1571 CG2 THR B 10 148.147 -1.994 -10.522 1.00 0.00 C ATOM 0 H THR B 10 144.353 -3.062 -9.923 1.00 0.00 H new ATOM 0 HA THR B 10 146.767 -4.268 -10.924 1.00 0.00 H new ATOM 0 HB THR B 10 146.308 -1.622 -9.472 1.00 0.00 H new ATOM 0 HG1 THR B 10 144.993 -1.722 -11.313 1.00 0.00 H new ATOM 0 HG21 THR B 10 148.354 -0.936 -10.686 1.00 0.00 H new ATOM 0 HG22 THR B 10 148.674 -2.333 -9.630 1.00 0.00 H new ATOM 0 HG23 THR B 10 148.487 -2.568 -11.384 1.00 0.00 H new ATOM 1579 N LEU B 11 146.329 -3.862 -7.686 1.00 0.00 N ATOM 1580 CA LEU B 11 146.852 -4.236 -6.375 1.00 0.00 C ATOM 1581 C LEU B 11 146.736 -5.740 -6.146 1.00 0.00 C ATOM 1582 O LEU B 11 147.476 -6.312 -5.344 1.00 0.00 O ATOM 1583 CB LEU B 11 146.081 -3.493 -5.281 1.00 0.00 C ATOM 1584 CG LEU B 11 146.552 -2.036 -5.214 1.00 0.00 C ATOM 1585 CD1 LEU B 11 145.415 -1.152 -4.698 1.00 0.00 C ATOM 1586 CD2 LEU B 11 147.748 -1.924 -4.264 1.00 0.00 C ATOM 0 H LEU B 11 145.425 -3.389 -7.663 1.00 0.00 H new ATOM 0 HA LEU B 11 147.906 -3.961 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU B 11 145.011 -3.530 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU B 11 146.237 -3.980 -4.318 1.00 0.00 H new ATOM 0 HG LEU B 11 146.846 -1.709 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU B 11 145.752 -0.116 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU B 11 144.562 -1.226 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU B 11 145.120 -1.483 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU B 11 148.081 -0.887 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU B 11 147.454 -2.255 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU B 11 148.562 -2.550 -4.629 1.00 0.00 H new ATOM 1598 N ILE B 12 145.802 -6.376 -6.844 1.00 0.00 N ATOM 1599 CA ILE B 12 145.598 -7.814 -6.694 1.00 0.00 C ATOM 1600 C ILE B 12 146.675 -8.602 -7.434 1.00 0.00 C ATOM 1601 O ILE B 12 146.956 -9.751 -7.093 1.00 0.00 O ATOM 1602 CB ILE B 12 144.220 -8.207 -7.228 1.00 0.00 C ATOM 1603 CG1 ILE B 12 143.136 -7.588 -6.342 1.00 0.00 C ATOM 1604 CG2 ILE B 12 144.081 -9.730 -7.208 1.00 0.00 C ATOM 1605 CD1 ILE B 12 141.775 -7.734 -7.023 1.00 0.00 C ATOM 0 H ILE B 12 145.179 -5.925 -7.514 1.00 0.00 H new ATOM 0 HA ILE B 12 145.661 -8.054 -5.633 1.00 0.00 H new ATOM 0 HB ILE B 12 144.109 -7.844 -8.250 1.00 0.00 H new ATOM 0 HG12 ILE B 12 143.122 -8.079 -5.369 1.00 0.00 H new ATOM 0 HG13 ILE B 12 143.354 -6.535 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE B 12 143.099 -10.011 -7.589 1.00 0.00 H new ATOM 0 HG22 ILE B 12 144.854 -10.174 -7.835 1.00 0.00 H new ATOM 0 HG23 ILE B 12 144.191 -10.092 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE B 12 141.003 -7.293 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE B 12 141.793 -7.222 -7.985 1.00 0.00 H new ATOM 0 HD13 ILE B 12 141.557 -8.791 -7.178 1.00 0.00 H new ATOM 1617 N ASN B 13 147.272 -7.987 -8.450 1.00 0.00 N ATOM 1618 CA ASN B 13 148.312 -8.659 -9.223 1.00 0.00 C ATOM 1619 C ASN B 13 149.640 -8.641 -8.471 1.00 0.00 C ATOM 1620 O ASN B 13 150.380 -9.624 -8.475 1.00 0.00 O ATOM 1621 CB ASN B 13 148.475 -7.985 -10.590 1.00 0.00 C ATOM 1622 CG ASN B 13 149.319 -6.719 -10.469 1.00 0.00 C ATOM 1623 OD1 ASN B 13 150.457 -6.771 -10.002 1.00 0.00 O ATOM 1624 ND2 ASN B 13 148.828 -5.580 -10.871 1.00 0.00 N ATOM 0 H ASN B 13 147.058 -7.037 -8.755 1.00 0.00 H new ATOM 0 HA ASN B 13 148.012 -9.696 -9.371 1.00 0.00 H new ATOM 0 HB2 ASN B 13 148.946 -8.677 -11.288 1.00 0.00 H new ATOM 0 HB3 ASN B 13 147.495 -7.737 -10.998 1.00 0.00 H new ATOM 0 HD21 ASN B 13 149.387 -4.730 -10.799 1.00 0.00 H new ATOM 0 HD22 ASN B 13 147.885 -5.539 -11.258 1.00 0.00 H new ATOM 1631 N VAL B 14 149.937 -7.516 -7.828 1.00 0.00 N ATOM 1632 CA VAL B 14 151.179 -7.384 -7.076 1.00 0.00 C ATOM 1633 C VAL B 14 151.160 -8.290 -5.849 1.00 0.00 C ATOM 1634 O VAL B 14 152.128 -8.998 -5.571 1.00 0.00 O ATOM 1635 CB VAL B 14 151.373 -5.932 -6.638 1.00 0.00 C ATOM 1636 CG1 VAL B 14 152.702 -5.797 -5.893 1.00 0.00 C ATOM 1637 CG2 VAL B 14 151.388 -5.026 -7.871 1.00 0.00 C ATOM 0 H VAL B 14 149.340 -6.689 -7.812 1.00 0.00 H new ATOM 0 HA VAL B 14 152.006 -7.681 -7.721 1.00 0.00 H new ATOM 0 HB VAL B 14 150.555 -5.639 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL B 14 152.841 -4.762 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL B 14 152.694 -6.443 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL B 14 153.520 -6.090 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL B 14 151.526 -3.991 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL B 14 152.206 -5.320 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL B 14 150.442 -5.121 -8.404 1.00 0.00 H new ATOM 1647 N PHE B 15 150.051 -8.263 -5.117 1.00 0.00 N ATOM 1648 CA PHE B 15 149.914 -9.085 -3.921 1.00 0.00 C ATOM 1649 C PHE B 15 150.076 -10.562 -4.266 1.00 0.00 C ATOM 1650 O PHE B 15 150.783 -11.297 -3.578 1.00 0.00 O ATOM 1651 CB PHE B 15 148.543 -8.854 -3.284 1.00 0.00 C ATOM 1652 CG PHE B 15 148.509 -9.487 -1.913 1.00 0.00 C ATOM 1653 CD1 PHE B 15 148.914 -8.753 -0.793 1.00 0.00 C ATOM 1654 CD2 PHE B 15 148.069 -10.808 -1.763 1.00 0.00 C ATOM 1655 CE1 PHE B 15 148.881 -9.338 0.478 1.00 0.00 C ATOM 1656 CE2 PHE B 15 148.036 -11.394 -0.491 1.00 0.00 C ATOM 1657 CZ PHE B 15 148.443 -10.659 0.629 1.00 0.00 C ATOM 0 H PHE B 15 149.239 -7.684 -5.330 1.00 0.00 H new ATOM 0 HA PHE B 15 150.694 -8.801 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE B 15 148.342 -7.786 -3.208 1.00 0.00 H new ATOM 0 HB3 PHE B 15 147.762 -9.281 -3.913 1.00 0.00 H new ATOM 0 HD1 PHE B 15 149.252 -7.734 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE B 15 147.755 -11.375 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE B 15 149.193 -8.770 1.342 1.00 0.00 H new ATOM 0 HE2 PHE B 15 147.697 -12.413 -0.374 1.00 0.00 H new ATOM 0 HZ PHE B 15 148.419 -11.111 1.609 1.00 0.00 H new ATOM 1667 N HIS B 16 149.413 -10.990 -5.337 1.00 0.00 N ATOM 1668 CA HIS B 16 149.489 -12.384 -5.765 1.00 0.00 C ATOM 1669 C HIS B 16 150.873 -12.701 -6.324 1.00 0.00 C ATOM 1670 O HIS B 16 151.369 -13.819 -6.179 1.00 0.00 O ATOM 1671 CB HIS B 16 148.430 -12.659 -6.835 1.00 0.00 C ATOM 1672 CG HIS B 16 148.369 -14.136 -7.113 1.00 0.00 C ATOM 1673 ND1 HIS B 16 147.648 -15.009 -6.313 1.00 0.00 N ATOM 1674 CD2 HIS B 16 148.932 -14.908 -8.099 1.00 0.00 C ATOM 1675 CE1 HIS B 16 147.796 -16.244 -6.827 1.00 0.00 C ATOM 1676 NE2 HIS B 16 148.569 -16.239 -7.916 1.00 0.00 N ATOM 0 H HIS B 16 148.822 -10.398 -5.920 1.00 0.00 H new ATOM 0 HA HIS B 16 149.306 -13.020 -4.899 1.00 0.00 H new ATOM 0 HB2 HIS B 16 147.457 -12.301 -6.499 1.00 0.00 H new ATOM 0 HB3 HIS B 16 148.671 -12.116 -7.749 1.00 0.00 H new ATOM 0 HD2 HIS B 16 149.561 -14.539 -8.895 1.00 0.00 H new ATOM 0 HE1 HIS B 16 147.344 -17.132 -6.409 1.00 0.00 H new ATOM 0 HE2 HIS B 16 148.836 -17.039 -8.490 1.00 0.00 H new ATOM 1685 N ALA B 17 151.490 -11.714 -6.964 1.00 0.00 N ATOM 1686 CA ALA B 17 152.815 -11.902 -7.542 1.00 0.00 C ATOM 1687 C ALA B 17 153.843 -12.186 -6.450 1.00 0.00 C ATOM 1688 O ALA B 17 154.712 -13.043 -6.612 1.00 0.00 O ATOM 1689 CB ALA B 17 153.228 -10.652 -8.322 1.00 0.00 C ATOM 0 H ALA B 17 151.097 -10.782 -7.095 1.00 0.00 H new ATOM 0 HA ALA B 17 152.776 -12.756 -8.219 1.00 0.00 H new ATOM 0 HB1 ALA B 17 154.219 -10.801 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA B 17 152.511 -10.469 -9.122 1.00 0.00 H new ATOM 0 HB3 ALA B 17 153.249 -9.794 -7.650 1.00 0.00 H new ATOM 1695 N HIS B 18 153.737 -11.461 -5.341 1.00 0.00 N ATOM 1696 CA HIS B 18 154.665 -11.644 -4.231 1.00 0.00 C ATOM 1697 C HIS B 18 154.166 -12.732 -3.286 1.00 0.00 C ATOM 1698 O HIS B 18 154.876 -13.145 -2.369 1.00 0.00 O ATOM 1699 CB HIS B 18 154.822 -10.332 -3.460 1.00 0.00 C ATOM 1700 CG HIS B 18 155.645 -9.368 -4.272 1.00 0.00 C ATOM 1701 ND1 HIS B 18 156.965 -9.081 -3.962 1.00 0.00 N ATOM 1702 CD2 HIS B 18 155.349 -8.618 -5.383 1.00 0.00 C ATOM 1703 CE1 HIS B 18 157.411 -8.194 -4.870 1.00 0.00 C ATOM 1704 NE2 HIS B 18 156.466 -7.877 -5.759 1.00 0.00 N ATOM 0 H HIS B 18 153.024 -10.747 -5.187 1.00 0.00 H new ATOM 0 HA HIS B 18 155.630 -11.946 -4.637 1.00 0.00 H new ATOM 0 HB2 HIS B 18 153.843 -9.902 -3.249 1.00 0.00 H new ATOM 0 HB3 HIS B 18 155.303 -10.518 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS B 18 154.395 -8.605 -5.889 1.00 0.00 H new ATOM 0 HE1 HIS B 18 158.412 -7.788 -4.879 1.00 0.00 H new ATOM 0 HE2 HIS B 18 156.546 -7.231 -6.544 1.00 0.00 H new ATOM 1713 N SER B 19 152.939 -13.190 -3.512 1.00 0.00 N ATOM 1714 CA SER B 19 152.355 -14.230 -2.672 1.00 0.00 C ATOM 1715 C SER B 19 153.156 -15.524 -2.779 1.00 0.00 C ATOM 1716 O SER B 19 153.415 -16.188 -1.775 1.00 0.00 O ATOM 1717 CB SER B 19 150.908 -14.489 -3.093 1.00 0.00 C ATOM 1718 OG SER B 19 150.373 -15.544 -2.304 1.00 0.00 O ATOM 0 H SER B 19 152.333 -12.861 -4.264 1.00 0.00 H new ATOM 0 HA SER B 19 152.379 -13.888 -1.637 1.00 0.00 H new ATOM 0 HB2 SER B 19 150.312 -13.585 -2.965 1.00 0.00 H new ATOM 0 HB3 SER B 19 150.866 -14.752 -4.150 1.00 0.00 H new ATOM 0 HG SER B 19 149.445 -15.713 -2.569 1.00 0.00 H new ATOM 1852 N LEU B 28 151.389 -13.369 3.938 1.00 0.00 N ATOM 1853 CA LEU B 28 152.561 -12.512 4.102 1.00 0.00 C ATOM 1854 C LEU B 28 152.869 -12.320 5.585 1.00 0.00 C ATOM 1855 O LEU B 28 151.961 -12.209 6.410 1.00 0.00 O ATOM 1856 CB LEU B 28 152.304 -11.146 3.441 1.00 0.00 C ATOM 1857 CG LEU B 28 152.924 -11.117 2.039 1.00 0.00 C ATOM 1858 CD1 LEU B 28 152.177 -10.103 1.170 1.00 0.00 C ATOM 1859 CD2 LEU B 28 154.397 -10.709 2.141 1.00 0.00 C ATOM 0 HA LEU B 28 153.417 -12.988 3.623 1.00 0.00 H new ATOM 0 HB2 LEU B 28 151.232 -10.959 3.377 1.00 0.00 H new ATOM 0 HB3 LEU B 28 152.730 -10.351 4.053 1.00 0.00 H new ATOM 0 HG LEU B 28 152.849 -12.107 1.590 1.00 0.00 H new ATOM 0 HD11 LEU B 28 152.618 -10.083 0.174 1.00 0.00 H new ATOM 0 HD12 LEU B 28 151.128 -10.390 1.097 1.00 0.00 H new ATOM 0 HD13 LEU B 28 152.252 -9.113 1.620 1.00 0.00 H new ATOM 0 HD21 LEU B 28 154.839 -10.688 1.145 1.00 0.00 H new ATOM 0 HD22 LEU B 28 154.470 -9.719 2.591 1.00 0.00 H new ATOM 0 HD23 LEU B 28 154.932 -11.429 2.760 1.00 0.00 H new ATOM 1871 N SER B 29 154.156 -12.277 5.916 1.00 0.00 N ATOM 1872 CA SER B 29 154.581 -12.092 7.302 1.00 0.00 C ATOM 1873 C SER B 29 155.150 -10.693 7.501 1.00 0.00 C ATOM 1874 O SER B 29 155.928 -10.207 6.679 1.00 0.00 O ATOM 1875 CB SER B 29 155.641 -13.131 7.664 1.00 0.00 C ATOM 1876 OG SER B 29 155.991 -12.987 9.034 1.00 0.00 O ATOM 0 H SER B 29 154.921 -12.367 5.247 1.00 0.00 H new ATOM 0 HA SER B 29 153.714 -12.217 7.951 1.00 0.00 H new ATOM 0 HB2 SER B 29 155.261 -14.135 7.477 1.00 0.00 H new ATOM 0 HB3 SER B 29 156.523 -13.002 7.036 1.00 0.00 H new ATOM 0 HG SER B 29 155.188 -12.782 9.557 1.00 0.00 H new ATOM 1882 N LYS B 30 154.759 -10.047 8.595 1.00 0.00 N ATOM 1883 CA LYS B 30 155.242 -8.702 8.884 1.00 0.00 C ATOM 1884 C LYS B 30 156.713 -8.573 8.501 1.00 0.00 C ATOM 1885 O LYS B 30 157.181 -7.490 8.149 1.00 0.00 O ATOM 1886 CB LYS B 30 155.067 -8.392 10.372 1.00 0.00 C ATOM 1887 CG LYS B 30 153.576 -8.256 10.693 1.00 0.00 C ATOM 1888 CD LYS B 30 153.405 -7.774 12.135 1.00 0.00 C ATOM 1889 CE LYS B 30 151.917 -7.578 12.434 1.00 0.00 C ATOM 1890 NZ LYS B 30 151.458 -6.290 11.842 1.00 0.00 N ATOM 0 H LYS B 30 154.116 -10.428 9.289 1.00 0.00 H new ATOM 0 HA LYS B 30 154.661 -7.990 8.298 1.00 0.00 H new ATOM 0 HB2 LYS B 30 155.509 -9.186 10.974 1.00 0.00 H new ATOM 0 HB3 LYS B 30 155.590 -7.470 10.626 1.00 0.00 H new ATOM 0 HG2 LYS B 30 153.108 -7.552 10.005 1.00 0.00 H new ATOM 0 HG3 LYS B 30 153.075 -9.215 10.557 1.00 0.00 H new ATOM 0 HD2 LYS B 30 153.833 -8.500 12.826 1.00 0.00 H new ATOM 0 HD3 LYS B 30 153.943 -6.838 12.283 1.00 0.00 H new ATOM 0 HE2 LYS B 30 151.340 -8.406 12.022 1.00 0.00 H new ATOM 0 HE3 LYS B 30 151.748 -7.576 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 150.476 -6.106 12.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 152.068 -5.517 12.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 151.510 -6.347 10.805 1.00 0.00 H new ATOM 1904 N LYS B 31 157.434 -9.687 8.571 1.00 0.00 N ATOM 1905 CA LYS B 31 158.851 -9.693 8.228 1.00 0.00 C ATOM 1906 C LYS B 31 159.038 -9.494 6.727 1.00 0.00 C ATOM 1907 O LYS B 31 159.946 -8.785 6.293 1.00 0.00 O ATOM 1908 CB LYS B 31 159.483 -11.022 8.650 1.00 0.00 C ATOM 1909 CG LYS B 31 161.008 -10.906 8.601 1.00 0.00 C ATOM 1910 CD LYS B 31 161.523 -10.334 9.924 1.00 0.00 C ATOM 1911 CE LYS B 31 163.053 -10.375 9.939 1.00 0.00 C ATOM 1912 NZ LYS B 31 163.560 -9.556 11.075 1.00 0.00 N ATOM 0 H LYS B 31 157.063 -10.592 8.860 1.00 0.00 H new ATOM 0 HA LYS B 31 159.339 -8.874 8.756 1.00 0.00 H new ATOM 0 HB2 LYS B 31 159.161 -11.285 9.657 1.00 0.00 H new ATOM 0 HB3 LYS B 31 159.148 -11.821 7.989 1.00 0.00 H new ATOM 0 HG2 LYS B 31 161.451 -11.885 8.419 1.00 0.00 H new ATOM 0 HG3 LYS B 31 161.307 -10.262 7.774 1.00 0.00 H new ATOM 0 HD2 LYS B 31 161.175 -9.309 10.049 1.00 0.00 H new ATOM 0 HD3 LYS B 31 161.125 -10.909 10.760 1.00 0.00 H new ATOM 0 HE2 LYS B 31 163.399 -11.404 10.036 1.00 0.00 H new ATOM 0 HE3 LYS B 31 163.447 -9.993 8.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 164.600 -9.583 11.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 163.241 -8.573 10.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 163.194 -9.939 11.970 1.00 0.00 H new ATOM 1926 N GLN B 32 158.173 -10.127 5.942 1.00 0.00 N ATOM 1927 CA GLN B 32 158.250 -10.017 4.489 1.00 0.00 C ATOM 1928 C GLN B 32 157.521 -8.766 4.004 1.00 0.00 C ATOM 1929 O GLN B 32 157.906 -8.162 3.003 1.00 0.00 O ATOM 1930 CB GLN B 32 157.628 -11.254 3.839 1.00 0.00 C ATOM 1931 CG GLN B 32 158.491 -12.479 4.146 1.00 0.00 C ATOM 1932 CD GLN B 32 159.856 -12.337 3.481 1.00 0.00 C ATOM 1933 OE1 GLN B 32 159.939 -12.018 2.295 1.00 0.00 O ATOM 1934 NE2 GLN B 32 160.937 -12.555 4.178 1.00 0.00 N ATOM 0 H GLN B 32 157.415 -10.718 6.284 1.00 0.00 H new ATOM 0 HA GLN B 32 159.300 -9.944 4.205 1.00 0.00 H new ATOM 0 HB2 GLN B 32 156.616 -11.405 4.214 1.00 0.00 H new ATOM 0 HB3 GLN B 32 157.550 -11.111 2.761 1.00 0.00 H new ATOM 0 HG2 GLN B 32 158.612 -12.587 5.224 1.00 0.00 H new ATOM 0 HG3 GLN B 32 157.996 -13.382 3.788 1.00 0.00 H new ATOM 0 HE21 GLN B 32 160.866 -12.819 5.161 1.00 0.00 H new ATOM 0 HE22 GLN B 32 161.854 -12.461 3.740 1.00 0.00 H new ATOM 1943 N LEU B 33 156.467 -8.385 4.718 1.00 0.00 N ATOM 1944 CA LEU B 33 155.692 -7.206 4.349 1.00 0.00 C ATOM 1945 C LEU B 33 156.603 -5.988 4.240 1.00 0.00 C ATOM 1946 O LEU B 33 156.729 -5.386 3.174 1.00 0.00 O ATOM 1947 CB LEU B 33 154.609 -6.946 5.400 1.00 0.00 C ATOM 1948 CG LEU B 33 153.441 -6.168 4.777 1.00 0.00 C ATOM 1949 CD1 LEU B 33 153.968 -4.896 4.108 1.00 0.00 C ATOM 1950 CD2 LEU B 33 152.723 -7.040 3.736 1.00 0.00 C ATOM 0 H LEU B 33 156.132 -8.871 5.549 1.00 0.00 H new ATOM 0 HA LEU B 33 155.222 -7.384 3.382 1.00 0.00 H new ATOM 0 HB2 LEU B 33 154.250 -7.892 5.805 1.00 0.00 H new ATOM 0 HB3 LEU B 33 155.028 -6.382 6.233 1.00 0.00 H new ATOM 0 HG LEU B 33 152.735 -5.898 5.562 1.00 0.00 H new ATOM 0 HD11 LEU B 33 153.137 -4.346 3.667 1.00 0.00 H new ATOM 0 HD12 LEU B 33 154.462 -4.271 4.852 1.00 0.00 H new ATOM 0 HD13 LEU B 33 154.681 -5.164 3.328 1.00 0.00 H new ATOM 0 HD21 LEU B 33 151.896 -6.479 3.300 1.00 0.00 H new ATOM 0 HD22 LEU B 33 153.425 -7.321 2.951 1.00 0.00 H new ATOM 0 HD23 LEU B 33 152.338 -7.939 4.218 1.00 0.00 H new ATOM 1962 N LYS B 34 157.240 -5.636 5.350 1.00 0.00 N ATOM 1963 CA LYS B 34 158.140 -4.489 5.371 1.00 0.00 C ATOM 1964 C LYS B 34 158.951 -4.421 4.080 1.00 0.00 C ATOM 1965 O LYS B 34 159.102 -3.353 3.485 1.00 0.00 O ATOM 1966 CB LYS B 34 159.087 -4.593 6.570 1.00 0.00 C ATOM 1967 CG LYS B 34 160.169 -5.636 6.284 1.00 0.00 C ATOM 1968 CD LYS B 34 160.930 -5.951 7.573 1.00 0.00 C ATOM 1969 CE LYS B 34 162.189 -6.751 7.239 1.00 0.00 C ATOM 1970 NZ LYS B 34 163.279 -5.818 6.838 1.00 0.00 N ATOM 0 H LYS B 34 157.152 -6.124 6.241 1.00 0.00 H new ATOM 0 HA LYS B 34 157.543 -3.581 5.458 1.00 0.00 H new ATOM 0 HB2 LYS B 34 159.546 -3.624 6.768 1.00 0.00 H new ATOM 0 HB3 LYS B 34 158.528 -4.870 7.464 1.00 0.00 H new ATOM 0 HG2 LYS B 34 159.717 -6.544 5.885 1.00 0.00 H new ATOM 0 HG3 LYS B 34 160.857 -5.263 5.525 1.00 0.00 H new ATOM 0 HD2 LYS B 34 161.199 -5.027 8.084 1.00 0.00 H new ATOM 0 HD3 LYS B 34 160.295 -6.519 8.253 1.00 0.00 H new ATOM 0 HE2 LYS B 34 162.499 -7.339 8.103 1.00 0.00 H new ATOM 0 HE3 LYS B 34 161.983 -7.454 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 164.136 -6.362 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 162.982 -5.275 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 163.482 -5.164 7.621 1.00 0.00 H new ATOM 1984 N GLU B 35 159.467 -5.568 3.651 1.00 0.00 N ATOM 1985 CA GLU B 35 160.259 -5.629 2.428 1.00 0.00 C ATOM 1986 C GLU B 35 159.374 -5.396 1.208 1.00 0.00 C ATOM 1987 O GLU B 35 159.712 -4.610 0.324 1.00 0.00 O ATOM 1988 CB GLU B 35 160.938 -6.997 2.316 1.00 0.00 C ATOM 1989 CG GLU B 35 161.852 -7.014 1.089 1.00 0.00 C ATOM 1990 CD GLU B 35 162.466 -8.400 0.918 1.00 0.00 C ATOM 1991 OE1 GLU B 35 162.201 -9.251 1.750 1.00 0.00 O ATOM 1992 OE2 GLU B 35 163.192 -8.590 -0.045 1.00 0.00 O ATOM 0 H GLU B 35 159.352 -6.462 4.128 1.00 0.00 H new ATOM 0 HA GLU B 35 161.019 -4.848 2.466 1.00 0.00 H new ATOM 0 HB2 GLU B 35 161.517 -7.202 3.217 1.00 0.00 H new ATOM 0 HB3 GLU B 35 160.187 -7.782 2.234 1.00 0.00 H new ATOM 0 HG2 GLU B 35 161.284 -6.746 0.198 1.00 0.00 H new ATOM 0 HG3 GLU B 35 162.640 -6.269 1.201 1.00 0.00 H new ATOM 1999 N LEU B 36 158.238 -6.085 1.170 1.00 0.00 N ATOM 2000 CA LEU B 36 157.306 -5.949 0.056 1.00 0.00 C ATOM 2001 C LEU B 36 156.903 -4.490 -0.135 1.00 0.00 C ATOM 2002 O LEU B 36 156.884 -3.983 -1.256 1.00 0.00 O ATOM 2003 CB LEU B 36 156.059 -6.798 0.320 1.00 0.00 C ATOM 2004 CG LEU B 36 155.008 -6.529 -0.758 1.00 0.00 C ATOM 2005 CD1 LEU B 36 155.629 -6.717 -2.142 1.00 0.00 C ATOM 2006 CD2 LEU B 36 153.845 -7.508 -0.586 1.00 0.00 C ATOM 0 H LEU B 36 157.941 -6.740 1.894 1.00 0.00 H new ATOM 0 HA LEU B 36 157.799 -6.295 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU B 36 156.323 -7.855 0.327 1.00 0.00 H new ATOM 0 HB3 LEU B 36 155.651 -6.565 1.304 1.00 0.00 H new ATOM 0 HG LEU B 36 154.645 -5.506 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU B 36 154.877 -6.525 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU B 36 156.459 -6.022 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU B 36 155.994 -7.739 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU B 36 153.094 -7.319 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU B 36 154.212 -8.530 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU B 36 153.399 -7.374 0.399 1.00 0.00 H new ATOM 2018 N LEU B 37 156.576 -3.823 0.966 1.00 0.00 N ATOM 2019 CA LEU B 37 156.168 -2.423 0.911 1.00 0.00 C ATOM 2020 C LEU B 37 157.250 -1.569 0.256 1.00 0.00 C ATOM 2021 O LEU B 37 157.041 -1.000 -0.816 1.00 0.00 O ATOM 2022 CB LEU B 37 155.894 -1.905 2.325 1.00 0.00 C ATOM 2023 CG LEU B 37 154.910 -0.731 2.262 1.00 0.00 C ATOM 2024 CD1 LEU B 37 153.474 -1.262 2.294 1.00 0.00 C ATOM 2025 CD2 LEU B 37 155.136 0.190 3.465 1.00 0.00 C ATOM 0 H LEU B 37 156.585 -4.226 1.903 1.00 0.00 H new ATOM 0 HA LEU B 37 155.259 -2.354 0.313 1.00 0.00 H new ATOM 0 HB2 LEU B 37 155.483 -2.704 2.942 1.00 0.00 H new ATOM 0 HB3 LEU B 37 156.825 -1.587 2.793 1.00 0.00 H new ATOM 0 HG LEU B 37 155.072 -0.174 1.339 1.00 0.00 H new ATOM 0 HD11 LEU B 37 152.776 -0.426 2.249 1.00 0.00 H new ATOM 0 HD12 LEU B 37 153.310 -1.918 1.439 1.00 0.00 H new ATOM 0 HD13 LEU B 37 153.313 -1.820 3.216 1.00 0.00 H new ATOM 0 HD21 LEU B 37 154.437 1.025 3.421 1.00 0.00 H new ATOM 0 HD22 LEU B 37 154.975 -0.369 4.387 1.00 0.00 H new ATOM 0 HD23 LEU B 37 156.157 0.571 3.445 1.00 0.00 H new ATOM 2037 N GLN B 38 158.402 -1.475 0.910 1.00 0.00 N ATOM 2038 CA GLN B 38 159.507 -0.679 0.385 1.00 0.00 C ATOM 2039 C GLN B 38 159.943 -1.188 -0.985 1.00 0.00 C ATOM 2040 O GLN B 38 160.272 -0.401 -1.872 1.00 0.00 O ATOM 2041 CB GLN B 38 160.692 -0.734 1.351 1.00 0.00 C ATOM 2042 CG GLN B 38 161.210 -2.170 1.442 1.00 0.00 C ATOM 2043 CD GLN B 38 162.221 -2.287 2.577 1.00 0.00 C ATOM 2044 OE1 GLN B 38 161.931 -3.009 3.625 1.00 0.00 O flip ATOM 2045 NE2 GLN B 38 163.305 -1.707 2.507 1.00 0.00 N flip ATOM 0 H GLN B 38 158.595 -1.936 1.799 1.00 0.00 H new ATOM 0 HA GLN B 38 159.166 0.351 0.280 1.00 0.00 H new ATOM 0 HB2 GLN B 38 161.486 -0.071 1.007 1.00 0.00 H new ATOM 0 HB3 GLN B 38 160.388 -0.383 2.337 1.00 0.00 H new ATOM 0 HG2 GLN B 38 160.379 -2.855 1.611 1.00 0.00 H new ATOM 0 HG3 GLN B 38 161.674 -2.459 0.499 1.00 0.00 H new ATOM 0 HE21 GLN B 38 163.530 -1.143 1.687 1.00 0.00 H new ATOM 0 HE22 GLN B 38 163.978 -1.790 3.269 1.00 0.00 H new ATOM 2054 N THR B 39 159.946 -2.507 -1.152 1.00 0.00 N ATOM 2055 CA THR B 39 160.348 -3.104 -2.421 1.00 0.00 C ATOM 2056 C THR B 39 159.631 -2.430 -3.588 1.00 0.00 C ATOM 2057 O THR B 39 160.265 -1.990 -4.547 1.00 0.00 O ATOM 2058 CB THR B 39 160.027 -4.600 -2.420 1.00 0.00 C ATOM 2059 OG1 THR B 39 160.910 -5.271 -1.531 1.00 0.00 O ATOM 2060 CG2 THR B 39 160.197 -5.165 -3.831 1.00 0.00 C ATOM 0 H THR B 39 159.677 -3.177 -0.432 1.00 0.00 H new ATOM 0 HA THR B 39 161.422 -2.961 -2.540 1.00 0.00 H new ATOM 0 HB THR B 39 158.997 -4.749 -2.095 1.00 0.00 H new ATOM 0 HG1 THR B 39 160.759 -4.952 -0.617 1.00 0.00 H new ATOM 0 HG21 THR B 39 159.968 -6.231 -3.826 1.00 0.00 H new ATOM 0 HG22 THR B 39 159.520 -4.651 -4.513 1.00 0.00 H new ATOM 0 HG23 THR B 39 161.225 -5.017 -4.161 1.00 0.00 H new ATOM 2068 N GLU B 40 158.307 -2.354 -3.501 1.00 0.00 N ATOM 2069 CA GLU B 40 157.517 -1.735 -4.560 1.00 0.00 C ATOM 2070 C GLU B 40 157.589 -0.213 -4.472 1.00 0.00 C ATOM 2071 O GLU B 40 157.767 0.467 -5.483 1.00 0.00 O ATOM 2072 CB GLU B 40 156.059 -2.186 -4.455 1.00 0.00 C ATOM 2073 CG GLU B 40 155.971 -3.692 -4.706 1.00 0.00 C ATOM 2074 CD GLU B 40 156.364 -4.004 -6.146 1.00 0.00 C ATOM 2075 OE1 GLU B 40 156.361 -3.088 -6.951 1.00 0.00 O ATOM 2076 OE2 GLU B 40 156.663 -5.155 -6.421 1.00 0.00 O ATOM 0 H GLU B 40 157.762 -2.710 -2.716 1.00 0.00 H new ATOM 0 HA GLU B 40 157.928 -2.048 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU B 40 155.664 -1.948 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU B 40 155.448 -1.649 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU B 40 156.629 -4.223 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU B 40 154.957 -4.043 -4.513 1.00 0.00 H new ATOM 2083 N LEU B 41 157.447 0.317 -3.261 1.00 0.00 N ATOM 2084 CA LEU B 41 157.497 1.761 -3.061 1.00 0.00 C ATOM 2085 C LEU B 41 158.930 2.269 -3.165 1.00 0.00 C ATOM 2086 O LEU B 41 159.184 3.467 -3.036 1.00 0.00 O ATOM 2087 CB LEU B 41 156.923 2.121 -1.688 1.00 0.00 C ATOM 2088 CG LEU B 41 155.495 1.585 -1.565 1.00 0.00 C ATOM 2089 CD1 LEU B 41 154.911 2.003 -0.214 1.00 0.00 C ATOM 2090 CD2 LEU B 41 154.630 2.159 -2.692 1.00 0.00 C ATOM 0 H LEU B 41 157.298 -0.226 -2.411 1.00 0.00 H new ATOM 0 HA LEU B 41 156.899 2.235 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU B 41 157.548 1.700 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU B 41 156.928 3.203 -1.554 1.00 0.00 H new ATOM 0 HG LEU B 41 155.509 0.498 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU B 41 153.894 1.622 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU B 41 155.524 1.594 0.589 1.00 0.00 H new ATOM 0 HD13 LEU B 41 154.899 3.091 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU B 41 153.614 1.776 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU B 41 154.615 3.247 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU B 41 155.045 1.864 -3.656 1.00 0.00 H new ATOM 2102 N SER B 42 159.864 1.354 -3.399 1.00 0.00 N ATOM 2103 CA SER B 42 161.269 1.726 -3.519 1.00 0.00 C ATOM 2104 C SER B 42 161.416 3.010 -4.329 1.00 0.00 C ATOM 2105 O SER B 42 162.399 3.737 -4.185 1.00 0.00 O ATOM 2106 CB SER B 42 162.051 0.601 -4.197 1.00 0.00 C ATOM 2107 OG SER B 42 162.022 -0.556 -3.372 1.00 0.00 O ATOM 0 H SER B 42 159.676 0.357 -3.509 1.00 0.00 H new ATOM 0 HA SER B 42 161.668 1.893 -2.518 1.00 0.00 H new ATOM 0 HB2 SER B 42 161.617 0.377 -5.172 1.00 0.00 H new ATOM 0 HB3 SER B 42 163.081 0.912 -4.370 1.00 0.00 H new ATOM 0 HG SER B 42 161.462 -0.384 -2.587 1.00 0.00 H new ATOM 2113 N GLY B 43 160.433 3.282 -5.181 1.00 0.00 N ATOM 2114 CA GLY B 43 160.464 4.481 -6.010 1.00 0.00 C ATOM 2115 C GLY B 43 159.916 5.685 -5.251 1.00 0.00 C ATOM 2116 O GLY B 43 160.475 6.780 -5.319 1.00 0.00 O ATOM 0 H GLY B 43 159.611 2.693 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY B 43 161.487 4.682 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY B 43 159.876 4.318 -6.913 1.00 0.00 H new ATOM 2120 N PHE B 44 158.819 5.475 -4.531 1.00 0.00 N ATOM 2121 CA PHE B 44 158.203 6.553 -3.764 1.00 0.00 C ATOM 2122 C PHE B 44 159.133 7.012 -2.643 1.00 0.00 C ATOM 2123 O PHE B 44 159.436 8.199 -2.524 1.00 0.00 O ATOM 2124 CB PHE B 44 156.871 6.074 -3.170 1.00 0.00 C ATOM 2125 CG PHE B 44 155.749 6.318 -4.154 1.00 0.00 C ATOM 2126 CD1 PHE B 44 155.980 6.197 -5.530 1.00 0.00 C ATOM 2127 CD2 PHE B 44 154.476 6.668 -3.688 1.00 0.00 C ATOM 2128 CE1 PHE B 44 154.940 6.426 -6.438 1.00 0.00 C ATOM 2129 CE2 PHE B 44 153.435 6.896 -4.595 1.00 0.00 C ATOM 2130 CZ PHE B 44 153.667 6.775 -5.971 1.00 0.00 C ATOM 0 H PHE B 44 158.341 4.577 -4.462 1.00 0.00 H new ATOM 0 HA PHE B 44 158.020 7.395 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE B 44 156.931 5.012 -2.930 1.00 0.00 H new ATOM 0 HB3 PHE B 44 156.669 6.601 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE B 44 156.961 5.927 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE B 44 154.297 6.762 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE B 44 155.119 6.334 -7.499 1.00 0.00 H new ATOM 0 HE2 PHE B 44 152.453 7.165 -4.234 1.00 0.00 H new ATOM 0 HZ PHE B 44 152.864 6.951 -6.672 1.00 0.00 H new ATOM 2140 N LEU B 45 159.580 6.066 -1.824 1.00 0.00 N ATOM 2141 CA LEU B 45 160.473 6.391 -0.718 1.00 0.00 C ATOM 2142 C LEU B 45 161.622 7.272 -1.198 1.00 0.00 C ATOM 2143 O LEU B 45 162.233 7.995 -0.412 1.00 0.00 O ATOM 2144 CB LEU B 45 161.034 5.107 -0.102 1.00 0.00 C ATOM 2145 CG LEU B 45 160.011 4.511 0.867 1.00 0.00 C ATOM 2146 CD1 LEU B 45 158.786 4.033 0.088 1.00 0.00 C ATOM 2147 CD2 LEU B 45 160.639 3.327 1.606 1.00 0.00 C ATOM 0 H LEU B 45 159.342 5.077 -1.903 1.00 0.00 H new ATOM 0 HA LEU B 45 159.903 6.935 0.035 1.00 0.00 H new ATOM 0 HB2 LEU B 45 161.268 4.388 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU B 45 161.965 5.321 0.423 1.00 0.00 H new ATOM 0 HG LEU B 45 159.708 5.271 1.587 1.00 0.00 H new ATOM 0 HD11 LEU B 45 158.058 3.609 0.779 1.00 0.00 H new ATOM 0 HD12 LEU B 45 158.338 4.876 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU B 45 159.087 3.273 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU B 45 159.911 2.902 2.297 1.00 0.00 H new ATOM 0 HD22 LEU B 45 160.942 2.568 0.885 1.00 0.00 H new ATOM 0 HD23 LEU B 45 161.512 3.667 2.163 1.00 0.00 H new ATOM 2159 N ASP B 46 161.909 7.206 -2.493 1.00 0.00 N ATOM 2160 CA ASP B 46 162.987 8.003 -3.068 1.00 0.00 C ATOM 2161 C ASP B 46 162.870 9.458 -2.622 1.00 0.00 C ATOM 2162 O ASP B 46 163.876 10.141 -2.427 1.00 0.00 O ATOM 2163 CB ASP B 46 162.935 7.930 -4.595 1.00 0.00 C ATOM 2164 CG ASP B 46 164.264 8.392 -5.183 1.00 0.00 C ATOM 2165 OD1 ASP B 46 164.624 9.535 -4.956 1.00 0.00 O ATOM 2166 OD2 ASP B 46 164.901 7.596 -5.853 1.00 0.00 O ATOM 0 H ASP B 46 161.415 6.614 -3.161 1.00 0.00 H new ATOM 0 HA ASP B 46 163.938 7.601 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP B 46 162.723 6.909 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP B 46 162.125 8.555 -4.970 1.00 0.00 H new ATOM 2171 N ALA B 47 161.636 9.924 -2.461 1.00 0.00 N ATOM 2172 CA ALA B 47 161.397 11.299 -2.037 1.00 0.00 C ATOM 2173 C ALA B 47 160.160 11.376 -1.148 1.00 0.00 C ATOM 2174 O ALA B 47 159.045 11.103 -1.593 1.00 0.00 O ATOM 2175 CB ALA B 47 161.205 12.198 -3.260 1.00 0.00 C ATOM 0 H ALA B 47 160.791 9.374 -2.616 1.00 0.00 H new ATOM 0 HA ALA B 47 162.262 11.640 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA B 47 161.027 13.223 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA B 47 162.101 12.165 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA B 47 160.350 11.848 -3.838 1.00 0.00 H new ATOM 2181 N GLN B 48 160.365 11.749 0.113 1.00 0.00 N ATOM 2182 CA GLN B 48 159.260 11.860 1.062 1.00 0.00 C ATOM 2183 C GLN B 48 159.378 13.149 1.868 1.00 0.00 C ATOM 2184 O GLN B 48 160.480 13.621 2.145 1.00 0.00 O ATOM 2185 CB GLN B 48 159.268 10.660 2.011 1.00 0.00 C ATOM 2186 CG GLN B 48 159.116 9.369 1.204 1.00 0.00 C ATOM 2187 CD GLN B 48 159.146 8.163 2.137 1.00 0.00 C ATOM 2188 OE1 GLN B 48 160.152 7.919 2.804 1.00 0.00 O ATOM 2189 NE2 GLN B 48 158.098 7.392 2.223 1.00 0.00 N ATOM 0 H GLN B 48 161.281 11.978 0.500 1.00 0.00 H new ATOM 0 HA GLN B 48 158.323 11.877 0.505 1.00 0.00 H new ATOM 0 HB2 GLN B 48 160.198 10.639 2.579 1.00 0.00 H new ATOM 0 HB3 GLN B 48 158.456 10.748 2.732 1.00 0.00 H new ATOM 0 HG2 GLN B 48 158.178 9.386 0.649 1.00 0.00 H new ATOM 0 HG3 GLN B 48 159.919 9.292 0.471 1.00 0.00 H new ATOM 0 HE21 GLN B 48 157.267 7.598 1.669 1.00 0.00 H new ATOM 0 HE22 GLN B 48 158.109 6.583 2.844 1.00 0.00 H new ATOM 2198 N LYS B 49 158.234 13.716 2.240 1.00 0.00 N ATOM 2199 CA LYS B 49 158.222 14.953 3.012 1.00 0.00 C ATOM 2200 C LYS B 49 158.136 14.656 4.506 1.00 0.00 C ATOM 2201 O LYS B 49 158.534 15.475 5.334 1.00 0.00 O ATOM 2202 CB LYS B 49 157.030 15.817 2.595 1.00 0.00 C ATOM 2203 CG LYS B 49 157.122 17.179 3.286 1.00 0.00 C ATOM 2204 CD LYS B 49 156.028 18.102 2.744 1.00 0.00 C ATOM 2205 CE LYS B 49 154.655 17.559 3.143 1.00 0.00 C ATOM 2206 NZ LYS B 49 154.225 16.526 2.159 1.00 0.00 N ATOM 0 H LYS B 49 157.311 13.342 2.021 1.00 0.00 H new ATOM 0 HA LYS B 49 159.150 15.489 2.813 1.00 0.00 H new ATOM 0 HB2 LYS B 49 157.021 15.946 1.513 1.00 0.00 H new ATOM 0 HB3 LYS B 49 156.097 15.323 2.864 1.00 0.00 H new ATOM 0 HG2 LYS B 49 157.011 17.060 4.364 1.00 0.00 H new ATOM 0 HG3 LYS B 49 158.103 17.621 3.113 1.00 0.00 H new ATOM 0 HD2 LYS B 49 156.160 19.110 3.138 1.00 0.00 H new ATOM 0 HD3 LYS B 49 156.101 18.172 1.659 1.00 0.00 H new ATOM 0 HE2 LYS B 49 154.699 17.128 4.143 1.00 0.00 H new ATOM 0 HE3 LYS B 49 153.927 18.370 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 153.258 16.734 1.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 154.871 16.533 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 154.245 15.588 2.609 1.00 0.00 H new ATOM 2220 N ASP B 50 157.615 13.480 4.843 1.00 0.00 N ATOM 2221 CA ASP B 50 157.480 13.084 6.244 1.00 0.00 C ATOM 2222 C ASP B 50 158.006 11.669 6.454 1.00 0.00 C ATOM 2223 O ASP B 50 157.279 10.692 6.273 1.00 0.00 O ATOM 2224 CB ASP B 50 156.011 13.151 6.663 1.00 0.00 C ATOM 2225 CG ASP B 50 155.549 14.603 6.713 1.00 0.00 C ATOM 2226 OD1 ASP B 50 156.389 15.477 6.579 1.00 0.00 O ATOM 2227 OD2 ASP B 50 154.361 14.821 6.884 1.00 0.00 O ATOM 0 H ASP B 50 157.281 12.788 4.172 1.00 0.00 H new ATOM 0 HA ASP B 50 158.065 13.771 6.855 1.00 0.00 H new ATOM 0 HB2 ASP B 50 155.397 12.590 5.959 1.00 0.00 H new ATOM 0 HB3 ASP B 50 155.881 12.686 7.640 1.00 0.00 H new ATOM 2232 N VAL B 51 159.273 11.565 6.840 1.00 0.00 N ATOM 2233 CA VAL B 51 159.886 10.263 7.075 1.00 0.00 C ATOM 2234 C VAL B 51 159.484 9.720 8.442 1.00 0.00 C ATOM 2235 O VAL B 51 159.564 8.518 8.693 1.00 0.00 O ATOM 2236 CB VAL B 51 161.409 10.382 7.000 1.00 0.00 C ATOM 2237 CG1 VAL B 51 161.921 11.162 8.213 1.00 0.00 C ATOM 2238 CG2 VAL B 51 162.029 8.982 6.998 1.00 0.00 C ATOM 0 H VAL B 51 159.892 12.361 6.996 1.00 0.00 H new ATOM 0 HA VAL B 51 159.537 9.574 6.306 1.00 0.00 H new ATOM 0 HB VAL B 51 161.688 10.907 6.086 1.00 0.00 H new ATOM 0 HG11 VAL B 51 163.006 11.247 8.159 1.00 0.00 H new ATOM 0 HG12 VAL B 51 161.479 12.158 8.218 1.00 0.00 H new ATOM 0 HG13 VAL B 51 161.643 10.637 9.127 1.00 0.00 H new ATOM 0 HG21 VAL B 51 163.115 9.065 6.945 1.00 0.00 H new ATOM 0 HG22 VAL B 51 161.750 8.459 7.913 1.00 0.00 H new ATOM 0 HG23 VAL B 51 161.665 8.424 6.135 1.00 0.00 H new ATOM 2248 N ASP B 52 159.054 10.617 9.325 1.00 0.00 N ATOM 2249 CA ASP B 52 158.643 10.219 10.666 1.00 0.00 C ATOM 2250 C ASP B 52 157.588 9.119 10.601 1.00 0.00 C ATOM 2251 O ASP B 52 157.648 8.144 11.351 1.00 0.00 O ATOM 2252 CB ASP B 52 158.079 11.426 11.418 1.00 0.00 C ATOM 2253 CG ASP B 52 159.181 12.452 11.658 1.00 0.00 C ATOM 2254 OD1 ASP B 52 160.334 12.111 11.453 1.00 0.00 O ATOM 2255 OD2 ASP B 52 158.856 13.562 12.044 1.00 0.00 O ATOM 0 H ASP B 52 158.982 11.617 9.137 1.00 0.00 H new ATOM 0 HA ASP B 52 159.516 9.837 11.194 1.00 0.00 H new ATOM 0 HB2 ASP B 52 157.270 11.877 10.844 1.00 0.00 H new ATOM 0 HB3 ASP B 52 157.655 11.106 12.370 1.00 0.00 H new ATOM 2260 N ALA B 53 156.623 9.283 9.702 1.00 0.00 N ATOM 2261 CA ALA B 53 155.560 8.295 9.552 1.00 0.00 C ATOM 2262 C ALA B 53 156.095 7.026 8.895 1.00 0.00 C ATOM 2263 O ALA B 53 155.674 5.919 9.230 1.00 0.00 O ATOM 2264 CB ALA B 53 154.427 8.873 8.703 1.00 0.00 C ATOM 0 H ALA B 53 156.555 10.082 9.072 1.00 0.00 H new ATOM 0 HA ALA B 53 155.180 8.044 10.543 1.00 0.00 H new ATOM 0 HB1 ALA B 53 153.637 8.130 8.595 1.00 0.00 H new ATOM 0 HB2 ALA B 53 154.025 9.762 9.189 1.00 0.00 H new ATOM 0 HB3 ALA B 53 154.810 9.140 7.718 1.00 0.00 H new ATOM 2270 N VAL B 54 157.023 7.195 7.960 1.00 0.00 N ATOM 2271 CA VAL B 54 157.607 6.056 7.263 1.00 0.00 C ATOM 2272 C VAL B 54 158.243 5.089 8.258 1.00 0.00 C ATOM 2273 O VAL B 54 158.005 3.882 8.204 1.00 0.00 O ATOM 2274 CB VAL B 54 158.665 6.536 6.268 1.00 0.00 C ATOM 2275 CG1 VAL B 54 159.194 5.344 5.469 1.00 0.00 C ATOM 2276 CG2 VAL B 54 158.038 7.551 5.311 1.00 0.00 C ATOM 0 H VAL B 54 157.385 8.103 7.669 1.00 0.00 H new ATOM 0 HA VAL B 54 156.813 5.538 6.725 1.00 0.00 H new ATOM 0 HB VAL B 54 159.487 7.003 6.810 1.00 0.00 H new ATOM 0 HG11 VAL B 54 159.948 5.687 4.760 1.00 0.00 H new ATOM 0 HG12 VAL B 54 159.639 4.618 6.150 1.00 0.00 H new ATOM 0 HG13 VAL B 54 158.372 4.876 4.927 1.00 0.00 H new ATOM 0 HG21 VAL B 54 158.790 7.894 4.601 1.00 0.00 H new ATOM 0 HG22 VAL B 54 157.216 7.082 4.770 1.00 0.00 H new ATOM 0 HG23 VAL B 54 157.660 8.401 5.879 1.00 0.00 H new ATOM 2286 N ASP B 55 159.050 5.629 9.166 1.00 0.00 N ATOM 2287 CA ASP B 55 159.712 4.804 10.171 1.00 0.00 C ATOM 2288 C ASP B 55 158.691 4.225 11.144 1.00 0.00 C ATOM 2289 O ASP B 55 158.859 3.114 11.647 1.00 0.00 O ATOM 2290 CB ASP B 55 160.737 5.640 10.940 1.00 0.00 C ATOM 2291 CG ASP B 55 161.576 4.736 11.838 1.00 0.00 C ATOM 2292 OD1 ASP B 55 162.544 4.180 11.347 1.00 0.00 O ATOM 2293 OD2 ASP B 55 161.239 4.615 13.004 1.00 0.00 O ATOM 0 H ASP B 55 159.260 6.625 9.227 1.00 0.00 H new ATOM 0 HA ASP B 55 160.220 3.984 9.664 1.00 0.00 H new ATOM 0 HB2 ASP B 55 161.382 6.173 10.241 1.00 0.00 H new ATOM 0 HB3 ASP B 55 160.227 6.393 11.541 1.00 0.00 H new ATOM 2298 N LYS B 56 157.632 4.985 11.405 1.00 0.00 N ATOM 2299 CA LYS B 56 156.589 4.538 12.320 1.00 0.00 C ATOM 2300 C LYS B 56 155.983 3.223 11.842 1.00 0.00 C ATOM 2301 O LYS B 56 155.608 2.371 12.648 1.00 0.00 O ATOM 2302 CB LYS B 56 155.492 5.600 12.419 1.00 0.00 C ATOM 2303 CG LYS B 56 154.431 5.147 13.424 1.00 0.00 C ATOM 2304 CD LYS B 56 153.367 6.236 13.572 1.00 0.00 C ATOM 2305 CE LYS B 56 152.357 5.821 14.642 1.00 0.00 C ATOM 2306 NZ LYS B 56 151.148 6.688 14.548 1.00 0.00 N ATOM 0 H LYS B 56 157.474 5.907 10.999 1.00 0.00 H new ATOM 0 HA LYS B 56 157.036 4.383 13.302 1.00 0.00 H new ATOM 0 HB2 LYS B 56 155.920 6.552 12.731 1.00 0.00 H new ATOM 0 HB3 LYS B 56 155.037 5.760 11.441 1.00 0.00 H new ATOM 0 HG2 LYS B 56 153.971 4.218 13.088 1.00 0.00 H new ATOM 0 HG3 LYS B 56 154.894 4.943 14.390 1.00 0.00 H new ATOM 0 HD2 LYS B 56 153.835 7.182 13.846 1.00 0.00 H new ATOM 0 HD3 LYS B 56 152.860 6.395 12.620 1.00 0.00 H new ATOM 0 HE2 LYS B 56 152.079 4.776 14.509 1.00 0.00 H new ATOM 0 HE3 LYS B 56 152.804 5.908 15.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 150.461 6.406 15.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 151.420 7.681 14.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 150.718 6.583 13.607 1.00 0.00 H new ATOM 2320 N VAL B 57 155.892 3.063 10.526 1.00 0.00 N ATOM 2321 CA VAL B 57 155.330 1.846 9.952 1.00 0.00 C ATOM 2322 C VAL B 57 156.380 0.740 9.906 1.00 0.00 C ATOM 2323 O VAL B 57 156.082 -0.423 10.176 1.00 0.00 O ATOM 2324 CB VAL B 57 154.818 2.123 8.537 1.00 0.00 C ATOM 2325 CG1 VAL B 57 154.337 0.818 7.902 1.00 0.00 C ATOM 2326 CG2 VAL B 57 153.654 3.116 8.603 1.00 0.00 C ATOM 0 H VAL B 57 156.198 3.755 9.842 1.00 0.00 H new ATOM 0 HA VAL B 57 154.502 1.520 10.581 1.00 0.00 H new ATOM 0 HB VAL B 57 155.624 2.543 7.935 1.00 0.00 H new ATOM 0 HG11 VAL B 57 153.972 1.017 6.894 1.00 0.00 H new ATOM 0 HG12 VAL B 57 155.164 0.109 7.856 1.00 0.00 H new ATOM 0 HG13 VAL B 57 153.531 0.396 8.503 1.00 0.00 H new ATOM 0 HG21 VAL B 57 153.288 3.315 7.596 1.00 0.00 H new ATOM 0 HG22 VAL B 57 152.849 2.694 9.205 1.00 0.00 H new ATOM 0 HG23 VAL B 57 153.995 4.047 9.055 1.00 0.00 H new ATOM 2336 N MET B 58 157.608 1.112 9.560 1.00 0.00 N ATOM 2337 CA MET B 58 158.694 0.141 9.479 1.00 0.00 C ATOM 2338 C MET B 58 158.999 -0.444 10.855 1.00 0.00 C ATOM 2339 O MET B 58 159.151 -1.656 11.003 1.00 0.00 O ATOM 2340 CB MET B 58 159.951 0.811 8.918 1.00 0.00 C ATOM 2341 CG MET B 58 159.685 1.276 7.486 1.00 0.00 C ATOM 2342 SD MET B 58 159.540 -0.165 6.400 1.00 0.00 S ATOM 2343 CE MET B 58 158.400 0.568 5.201 1.00 0.00 C ATOM 0 H MET B 58 157.875 2.070 9.333 1.00 0.00 H new ATOM 0 HA MET B 58 158.384 -0.667 8.816 1.00 0.00 H new ATOM 0 HB2 MET B 58 160.232 1.660 9.541 1.00 0.00 H new ATOM 0 HB3 MET B 58 160.787 0.112 8.935 1.00 0.00 H new ATOM 0 HG2 MET B 58 158.770 1.867 7.448 1.00 0.00 H new ATOM 0 HG3 MET B 58 160.495 1.921 7.146 1.00 0.00 H new ATOM 0 HE1 MET B 58 158.170 -0.162 4.425 1.00 0.00 H new ATOM 0 HE2 MET B 58 157.480 0.863 5.706 1.00 0.00 H new ATOM 0 HE3 MET B 58 158.862 1.445 4.749 1.00 0.00 H new ATOM 2353 N LYS B 59 159.088 0.424 11.858 1.00 0.00 N ATOM 2354 CA LYS B 59 159.375 -0.022 13.216 1.00 0.00 C ATOM 2355 C LYS B 59 158.225 -0.866 13.757 1.00 0.00 C ATOM 2356 O LYS B 59 158.427 -1.729 14.612 1.00 0.00 O ATOM 2357 CB LYS B 59 159.606 1.188 14.128 1.00 0.00 C ATOM 2358 CG LYS B 59 158.273 1.906 14.403 1.00 0.00 C ATOM 2359 CD LYS B 59 157.713 1.472 15.763 1.00 0.00 C ATOM 2360 CE LYS B 59 156.200 1.701 15.790 1.00 0.00 C ATOM 2361 NZ LYS B 59 155.679 1.419 17.157 1.00 0.00 N ATOM 0 H LYS B 59 158.967 1.432 11.757 1.00 0.00 H new ATOM 0 HA LYS B 59 160.277 -0.633 13.196 1.00 0.00 H new ATOM 0 HB2 LYS B 59 160.054 0.865 15.067 1.00 0.00 H new ATOM 0 HB3 LYS B 59 160.309 1.877 13.660 1.00 0.00 H new ATOM 0 HG2 LYS B 59 158.423 2.986 14.390 1.00 0.00 H new ATOM 0 HG3 LYS B 59 157.557 1.674 13.615 1.00 0.00 H new ATOM 0 HD2 LYS B 59 157.935 0.420 15.940 1.00 0.00 H new ATOM 0 HD3 LYS B 59 158.191 2.038 16.562 1.00 0.00 H new ATOM 0 HE2 LYS B 59 155.972 2.729 15.507 1.00 0.00 H new ATOM 0 HE3 LYS B 59 155.711 1.054 15.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 154.653 1.257 17.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 156.146 0.572 17.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 155.874 2.231 17.777 1.00 0.00 H new ATOM 2375 N GLU B 60 157.021 -0.613 13.254 1.00 0.00 N ATOM 2376 CA GLU B 60 155.849 -1.359 13.695 1.00 0.00 C ATOM 2377 C GLU B 60 156.018 -2.846 13.401 1.00 0.00 C ATOM 2378 O GLU B 60 155.677 -3.695 14.226 1.00 0.00 O ATOM 2379 CB GLU B 60 154.598 -0.835 12.985 1.00 0.00 C ATOM 2380 CG GLU B 60 153.363 -1.556 13.528 1.00 0.00 C ATOM 2381 CD GLU B 60 152.115 -1.082 12.792 1.00 0.00 C ATOM 2382 OE1 GLU B 60 152.259 -0.302 11.864 1.00 0.00 O ATOM 2383 OE2 GLU B 60 151.034 -1.505 13.165 1.00 0.00 O ATOM 0 H GLU B 60 156.832 0.097 12.546 1.00 0.00 H new ATOM 0 HA GLU B 60 155.739 -1.223 14.771 1.00 0.00 H new ATOM 0 HB2 GLU B 60 154.502 0.240 13.140 1.00 0.00 H new ATOM 0 HB3 GLU B 60 154.683 -0.996 11.910 1.00 0.00 H new ATOM 0 HG2 GLU B 60 153.479 -2.633 13.408 1.00 0.00 H new ATOM 0 HG3 GLU B 60 153.260 -1.364 14.596 1.00 0.00 H new ATOM 2390 N LEU B 61 156.547 -3.155 12.222 1.00 0.00 N ATOM 2391 CA LEU B 61 156.757 -4.543 11.828 1.00 0.00 C ATOM 2392 C LEU B 61 157.984 -5.118 12.529 1.00 0.00 C ATOM 2393 O LEU B 61 158.035 -6.310 12.832 1.00 0.00 O ATOM 2394 CB LEU B 61 156.946 -4.634 10.313 1.00 0.00 C ATOM 2395 CG LEU B 61 155.840 -3.843 9.612 1.00 0.00 C ATOM 2396 CD1 LEU B 61 156.033 -3.928 8.097 1.00 0.00 C ATOM 2397 CD2 LEU B 61 154.478 -4.434 9.985 1.00 0.00 C ATOM 0 H LEU B 61 156.837 -2.468 11.526 1.00 0.00 H new ATOM 0 HA LEU B 61 155.880 -5.120 12.120 1.00 0.00 H new ATOM 0 HB2 LEU B 61 157.923 -4.239 10.033 1.00 0.00 H new ATOM 0 HB3 LEU B 61 156.920 -5.676 9.995 1.00 0.00 H new ATOM 0 HG LEU B 61 155.884 -2.800 9.926 1.00 0.00 H new ATOM 0 HD11 LEU B 61 155.245 -3.364 7.598 1.00 0.00 H new ATOM 0 HD12 LEU B 61 157.003 -3.510 7.830 1.00 0.00 H new ATOM 0 HD13 LEU B 61 155.988 -4.971 7.782 1.00 0.00 H new ATOM 0 HD21 LEU B 61 153.689 -3.872 9.486 1.00 0.00 H new ATOM 0 HD22 LEU B 61 154.435 -5.477 9.670 1.00 0.00 H new ATOM 0 HD23 LEU B 61 154.339 -4.375 11.065 1.00 0.00 H new ATOM 2409 N ASP B 62 158.969 -4.263 12.783 1.00 0.00 N ATOM 2410 CA ASP B 62 160.193 -4.697 13.448 1.00 0.00 C ATOM 2411 C ASP B 62 159.876 -5.312 14.808 1.00 0.00 C ATOM 2412 O ASP B 62 160.463 -6.322 15.194 1.00 0.00 O ATOM 2413 CB ASP B 62 161.138 -3.508 13.631 1.00 0.00 C ATOM 2414 CG ASP B 62 162.541 -4.003 13.960 1.00 0.00 C ATOM 2415 OD1 ASP B 62 162.893 -5.077 13.499 1.00 0.00 O ATOM 2416 OD2 ASP B 62 163.245 -3.302 14.668 1.00 0.00 O ATOM 0 H ASP B 62 158.945 -3.272 12.541 1.00 0.00 H new ATOM 0 HA ASP B 62 160.674 -5.451 12.825 1.00 0.00 H new ATOM 0 HB2 ASP B 62 161.159 -2.907 12.722 1.00 0.00 H new ATOM 0 HB3 ASP B 62 160.774 -2.863 14.431 1.00 0.00 H new ATOM 2421 N GLU B 63 158.945 -4.696 15.529 1.00 0.00 N ATOM 2422 CA GLU B 63 158.560 -5.193 16.844 1.00 0.00 C ATOM 2423 C GLU B 63 158.207 -6.675 16.775 1.00 0.00 C ATOM 2424 O GLU B 63 159.026 -7.533 17.105 1.00 0.00 O ATOM 2425 CB GLU B 63 157.358 -4.405 17.370 1.00 0.00 C ATOM 2426 CG GLU B 63 157.783 -2.966 17.670 1.00 0.00 C ATOM 2427 CD GLU B 63 156.603 -2.180 18.230 1.00 0.00 C ATOM 2428 OE1 GLU B 63 155.486 -2.654 18.099 1.00 0.00 O ATOM 2429 OE2 GLU B 63 156.831 -1.116 18.780 1.00 0.00 O ATOM 0 H GLU B 63 158.447 -3.858 15.228 1.00 0.00 H new ATOM 0 HA GLU B 63 159.404 -5.063 17.521 1.00 0.00 H new ATOM 0 HB2 GLU B 63 156.554 -4.412 16.634 1.00 0.00 H new ATOM 0 HB3 GLU B 63 156.968 -4.876 18.272 1.00 0.00 H new ATOM 0 HG2 GLU B 63 158.605 -2.963 18.386 1.00 0.00 H new ATOM 0 HG3 GLU B 63 158.150 -2.489 16.761 1.00 0.00 H new ATOM 2436 N ASN B 64 156.983 -6.968 16.346 1.00 0.00 N ATOM 2437 CA ASN B 64 156.529 -8.351 16.236 1.00 0.00 C ATOM 2438 C ASN B 64 156.615 -8.830 14.791 1.00 0.00 C ATOM 2439 O ASN B 64 155.812 -8.433 13.946 1.00 0.00 O ATOM 2440 CB ASN B 64 155.085 -8.465 16.727 1.00 0.00 C ATOM 2441 CG ASN B 64 154.992 -8.012 18.181 1.00 0.00 C ATOM 2442 OD1 ASN B 64 156.079 -7.679 18.821 1.00 0.00 O flip ATOM 2443 ND2 ASN B 64 153.901 -7.961 18.747 1.00 0.00 N flip ATOM 0 H ASN B 64 156.291 -6.271 16.070 1.00 0.00 H new ATOM 0 HA ASN B 64 157.174 -8.976 16.853 1.00 0.00 H new ATOM 0 HB2 ASN B 64 154.431 -7.854 16.105 1.00 0.00 H new ATOM 0 HB3 ASN B 64 154.741 -9.495 16.636 1.00 0.00 H new ATOM 0 HD21 ASN B 64 153.053 -8.222 18.244 1.00 0.00 H new ATOM 0 HD22 ASN B 64 153.845 -7.658 19.719 1.00 0.00 H new ATOM 2450 N GLY B 65 157.593 -9.686 14.513 1.00 0.00 N ATOM 2451 CA GLY B 65 157.776 -10.214 13.165 1.00 0.00 C ATOM 2452 C GLY B 65 157.156 -11.601 13.035 1.00 0.00 C ATOM 2453 O GLY B 65 156.836 -12.048 11.934 1.00 0.00 O ATOM 0 H GLY B 65 158.267 -10.027 15.198 1.00 0.00 H new ATOM 0 HA2 GLY B 65 157.321 -9.539 12.441 1.00 0.00 H new ATOM 0 HA3 GLY B 65 158.839 -10.263 12.931 1.00 0.00 H new ATOM 2457 N ASP B 66 156.988 -12.277 14.167 1.00 0.00 N ATOM 2458 CA ASP B 66 156.406 -13.614 14.169 1.00 0.00 C ATOM 2459 C ASP B 66 154.960 -13.572 13.684 1.00 0.00 C ATOM 2460 O ASP B 66 154.455 -14.544 13.125 1.00 0.00 O ATOM 2461 CB ASP B 66 156.456 -14.204 15.580 1.00 0.00 C ATOM 2462 CG ASP B 66 155.562 -13.396 16.515 1.00 0.00 C ATOM 2463 OD1 ASP B 66 154.379 -13.690 16.572 1.00 0.00 O ATOM 2464 OD2 ASP B 66 156.073 -12.495 17.160 1.00 0.00 O ATOM 0 H ASP B 66 157.245 -11.924 15.089 1.00 0.00 H new ATOM 0 HA ASP B 66 156.985 -14.242 13.492 1.00 0.00 H new ATOM 0 HB2 ASP B 66 156.130 -15.244 15.560 1.00 0.00 H new ATOM 0 HB3 ASP B 66 157.482 -14.199 15.949 1.00 0.00 H new ATOM 2469 N GLY B 67 154.299 -12.439 13.903 1.00 0.00 N ATOM 2470 CA GLY B 67 152.912 -12.283 13.483 1.00 0.00 C ATOM 2471 C GLY B 67 152.813 -12.143 11.969 1.00 0.00 C ATOM 2472 O GLY B 67 153.817 -12.220 11.261 1.00 0.00 O ATOM 0 H GLY B 67 154.698 -11.622 14.365 1.00 0.00 H new ATOM 0 HA2 GLY B 67 152.330 -13.144 13.811 1.00 0.00 H new ATOM 0 HA3 GLY B 67 152.480 -11.405 13.962 1.00 0.00 H new ATOM 2476 N GLU B 68 151.594 -11.938 11.477 1.00 0.00 N ATOM 2477 CA GLU B 68 151.374 -11.787 10.041 1.00 0.00 C ATOM 2478 C GLU B 68 150.303 -10.734 9.771 1.00 0.00 C ATOM 2479 O GLU B 68 149.810 -10.085 10.694 1.00 0.00 O ATOM 2480 CB GLU B 68 150.940 -13.125 9.436 1.00 0.00 C ATOM 2481 CG GLU B 68 149.975 -13.830 10.391 1.00 0.00 C ATOM 2482 CD GLU B 68 150.745 -14.425 11.565 1.00 0.00 C ATOM 2483 OE1 GLU B 68 151.955 -14.538 11.458 1.00 0.00 O ATOM 2484 OE2 GLU B 68 150.113 -14.761 12.553 1.00 0.00 O ATOM 0 H GLU B 68 150.750 -11.873 12.046 1.00 0.00 H new ATOM 0 HA GLU B 68 152.308 -11.466 9.581 1.00 0.00 H new ATOM 0 HB2 GLU B 68 150.459 -12.961 8.472 1.00 0.00 H new ATOM 0 HB3 GLU B 68 151.812 -13.753 9.254 1.00 0.00 H new ATOM 0 HG2 GLU B 68 149.229 -13.123 10.755 1.00 0.00 H new ATOM 0 HG3 GLU B 68 149.437 -14.617 9.862 1.00 0.00 H new ATOM 2491 N VAL B 69 149.951 -10.568 8.500 1.00 0.00 N ATOM 2492 CA VAL B 69 148.939 -9.589 8.117 1.00 0.00 C ATOM 2493 C VAL B 69 148.050 -10.142 7.007 1.00 0.00 C ATOM 2494 O VAL B 69 148.420 -11.095 6.320 1.00 0.00 O ATOM 2495 CB VAL B 69 149.616 -8.304 7.639 1.00 0.00 C ATOM 2496 CG1 VAL B 69 150.019 -7.458 8.848 1.00 0.00 C ATOM 2497 CG2 VAL B 69 150.864 -8.657 6.827 1.00 0.00 C ATOM 0 H VAL B 69 150.348 -11.095 7.722 1.00 0.00 H new ATOM 0 HA VAL B 69 148.319 -9.373 8.987 1.00 0.00 H new ATOM 0 HB VAL B 69 148.923 -7.740 7.015 1.00 0.00 H new ATOM 0 HG11 VAL B 69 150.502 -6.542 8.507 1.00 0.00 H new ATOM 0 HG12 VAL B 69 149.131 -7.206 9.428 1.00 0.00 H new ATOM 0 HG13 VAL B 69 150.712 -8.022 9.472 1.00 0.00 H new ATOM 0 HG21 VAL B 69 151.347 -7.741 6.486 1.00 0.00 H new ATOM 0 HG22 VAL B 69 151.556 -9.222 7.451 1.00 0.00 H new ATOM 0 HG23 VAL B 69 150.579 -9.260 5.965 1.00 0.00 H new ATOM 2507 N ASP B 70 146.879 -9.538 6.836 1.00 0.00 N ATOM 2508 CA ASP B 70 145.944 -9.981 5.806 1.00 0.00 C ATOM 2509 C ASP B 70 146.125 -9.164 4.529 1.00 0.00 C ATOM 2510 O ASP B 70 146.996 -8.298 4.454 1.00 0.00 O ATOM 2511 CB ASP B 70 144.506 -9.835 6.307 1.00 0.00 C ATOM 2512 CG ASP B 70 144.251 -10.811 7.450 1.00 0.00 C ATOM 2513 OD1 ASP B 70 145.029 -11.739 7.594 1.00 0.00 O ATOM 2514 OD2 ASP B 70 143.281 -10.616 8.163 1.00 0.00 O ATOM 0 H ASP B 70 146.556 -8.746 7.392 1.00 0.00 H new ATOM 0 HA ASP B 70 146.147 -11.029 5.585 1.00 0.00 H new ATOM 0 HB2 ASP B 70 144.332 -8.813 6.644 1.00 0.00 H new ATOM 0 HB3 ASP B 70 143.807 -10.025 5.492 1.00 0.00 H new ATOM 2519 N PHE B 71 145.298 -9.449 3.529 1.00 0.00 N ATOM 2520 CA PHE B 71 145.375 -8.736 2.259 1.00 0.00 C ATOM 2521 C PHE B 71 144.984 -7.272 2.439 1.00 0.00 C ATOM 2522 O PHE B 71 145.694 -6.372 1.993 1.00 0.00 O ATOM 2523 CB PHE B 71 144.446 -9.392 1.234 1.00 0.00 C ATOM 2524 CG PHE B 71 144.342 -8.513 0.010 1.00 0.00 C ATOM 2525 CD1 PHE B 71 145.403 -8.454 -0.902 1.00 0.00 C ATOM 2526 CD2 PHE B 71 143.186 -7.756 -0.211 1.00 0.00 C ATOM 2527 CE1 PHE B 71 145.306 -7.638 -2.035 1.00 0.00 C ATOM 2528 CE2 PHE B 71 143.089 -6.940 -1.344 1.00 0.00 C ATOM 2529 CZ PHE B 71 144.149 -6.881 -2.256 1.00 0.00 C ATOM 0 H PHE B 71 144.571 -10.164 3.572 1.00 0.00 H new ATOM 0 HA PHE B 71 146.403 -8.783 1.901 1.00 0.00 H new ATOM 0 HB2 PHE B 71 144.829 -10.374 0.957 1.00 0.00 H new ATOM 0 HB3 PHE B 71 143.458 -9.546 1.669 1.00 0.00 H new ATOM 0 HD1 PHE B 71 146.295 -9.038 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE B 71 142.368 -7.801 0.493 1.00 0.00 H new ATOM 0 HE1 PHE B 71 146.124 -7.592 -2.739 1.00 0.00 H new ATOM 0 HE2 PHE B 71 142.197 -6.356 -1.514 1.00 0.00 H new ATOM 0 HZ PHE B 71 144.075 -6.251 -3.130 1.00 0.00 H new ATOM 2539 N GLN B 72 143.852 -7.042 3.094 1.00 0.00 N ATOM 2540 CA GLN B 72 143.379 -5.681 3.322 1.00 0.00 C ATOM 2541 C GLN B 72 144.450 -4.854 4.027 1.00 0.00 C ATOM 2542 O GLN B 72 144.665 -3.689 3.694 1.00 0.00 O ATOM 2543 CB GLN B 72 142.105 -5.702 4.170 1.00 0.00 C ATOM 2544 CG GLN B 72 142.302 -6.631 5.369 1.00 0.00 C ATOM 2545 CD GLN B 72 141.044 -6.644 6.231 1.00 0.00 C ATOM 2546 OE1 GLN B 72 140.112 -5.754 6.022 1.00 0.00 O flip ATOM 2547 NE2 GLN B 72 140.906 -7.487 7.118 1.00 0.00 N flip ATOM 0 H GLN B 72 143.249 -7.772 3.474 1.00 0.00 H new ATOM 0 HA GLN B 72 143.161 -5.226 2.356 1.00 0.00 H new ATOM 0 HB2 GLN B 72 141.867 -4.695 4.513 1.00 0.00 H new ATOM 0 HB3 GLN B 72 141.261 -6.041 3.569 1.00 0.00 H new ATOM 0 HG2 GLN B 72 142.527 -7.640 5.024 1.00 0.00 H new ATOM 0 HG3 GLN B 72 143.155 -6.299 5.961 1.00 0.00 H new ATOM 0 HE21 GLN B 72 141.635 -8.181 7.280 1.00 0.00 H new ATOM 0 HE22 GLN B 72 140.062 -7.491 7.691 1.00 0.00 H new ATOM 2556 N GLU B 73 145.118 -5.465 5.000 1.00 0.00 N ATOM 2557 CA GLU B 73 146.164 -4.774 5.746 1.00 0.00 C ATOM 2558 C GLU B 73 147.197 -4.176 4.795 1.00 0.00 C ATOM 2559 O GLU B 73 147.627 -3.036 4.969 1.00 0.00 O ATOM 2560 CB GLU B 73 146.851 -5.749 6.704 1.00 0.00 C ATOM 2561 CG GLU B 73 145.901 -6.091 7.854 1.00 0.00 C ATOM 2562 CD GLU B 73 145.990 -5.025 8.941 1.00 0.00 C ATOM 2563 OE1 GLU B 73 147.037 -4.926 9.560 1.00 0.00 O ATOM 2564 OE2 GLU B 73 145.012 -4.324 9.137 1.00 0.00 O ATOM 0 H GLU B 73 144.956 -6.430 5.289 1.00 0.00 H new ATOM 0 HA GLU B 73 145.705 -3.967 6.317 1.00 0.00 H new ATOM 0 HB2 GLU B 73 147.137 -6.657 6.172 1.00 0.00 H new ATOM 0 HB3 GLU B 73 147.767 -5.306 7.095 1.00 0.00 H new ATOM 0 HG2 GLU B 73 144.878 -6.159 7.483 1.00 0.00 H new ATOM 0 HG3 GLU B 73 146.155 -7.066 8.269 1.00 0.00 H new ATOM 2571 N TYR B 74 147.588 -4.951 3.789 1.00 0.00 N ATOM 2572 CA TYR B 74 148.570 -4.485 2.815 1.00 0.00 C ATOM 2573 C TYR B 74 148.068 -3.224 2.117 1.00 0.00 C ATOM 2574 O TYR B 74 148.852 -2.340 1.775 1.00 0.00 O ATOM 2575 CB TYR B 74 148.840 -5.587 1.780 1.00 0.00 C ATOM 2576 CG TYR B 74 149.520 -5.001 0.563 1.00 0.00 C ATOM 2577 CD1 TYR B 74 150.909 -4.815 0.554 1.00 0.00 C ATOM 2578 CD2 TYR B 74 148.760 -4.644 -0.557 1.00 0.00 C ATOM 2579 CE1 TYR B 74 151.535 -4.271 -0.575 1.00 0.00 C ATOM 2580 CE2 TYR B 74 149.386 -4.101 -1.686 1.00 0.00 C ATOM 2581 CZ TYR B 74 150.774 -3.916 -1.694 1.00 0.00 C ATOM 2582 OH TYR B 74 151.391 -3.380 -2.806 1.00 0.00 O ATOM 0 H TYR B 74 147.244 -5.897 3.627 1.00 0.00 H new ATOM 0 HA TYR B 74 149.498 -4.248 3.336 1.00 0.00 H new ATOM 0 HB2 TYR B 74 149.467 -6.363 2.219 1.00 0.00 H new ATOM 0 HB3 TYR B 74 147.903 -6.061 1.489 1.00 0.00 H new ATOM 0 HD1 TYR B 74 151.497 -5.091 1.417 1.00 0.00 H new ATOM 0 HD2 TYR B 74 147.690 -4.787 -0.550 1.00 0.00 H new ATOM 0 HE1 TYR B 74 152.605 -4.126 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR B 74 148.799 -3.825 -2.550 1.00 0.00 H new ATOM 0 HH TYR B 74 150.775 -3.410 -3.568 1.00 0.00 H new ATOM 2592 N VAL B 75 146.758 -3.149 1.906 1.00 0.00 N ATOM 2593 CA VAL B 75 146.167 -1.992 1.244 1.00 0.00 C ATOM 2594 C VAL B 75 146.160 -0.781 2.175 1.00 0.00 C ATOM 2595 O VAL B 75 146.158 0.362 1.718 1.00 0.00 O ATOM 2596 CB VAL B 75 144.737 -2.315 0.803 1.00 0.00 C ATOM 2597 CG1 VAL B 75 144.025 -1.027 0.380 1.00 0.00 C ATOM 2598 CG2 VAL B 75 144.784 -3.285 -0.380 1.00 0.00 C ATOM 0 H VAL B 75 146.090 -3.869 2.181 1.00 0.00 H new ATOM 0 HA VAL B 75 146.770 -1.753 0.368 1.00 0.00 H new ATOM 0 HB VAL B 75 144.193 -2.770 1.631 1.00 0.00 H new ATOM 0 HG11 VAL B 75 143.007 -1.260 0.067 1.00 0.00 H new ATOM 0 HG12 VAL B 75 143.996 -0.334 1.221 1.00 0.00 H new ATOM 0 HG13 VAL B 75 144.564 -0.569 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL B 75 143.768 -3.519 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL B 75 145.327 -2.826 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL B 75 145.290 -4.202 -0.079 1.00 0.00 H new ATOM 2608 N VAL B 76 146.156 -1.038 3.479 1.00 0.00 N ATOM 2609 CA VAL B 76 146.149 0.044 4.459 1.00 0.00 C ATOM 2610 C VAL B 76 147.523 0.704 4.544 1.00 0.00 C ATOM 2611 O VAL B 76 147.631 1.929 4.580 1.00 0.00 O ATOM 2612 CB VAL B 76 145.758 -0.496 5.836 1.00 0.00 C ATOM 2613 CG1 VAL B 76 145.680 0.662 6.833 1.00 0.00 C ATOM 2614 CG2 VAL B 76 144.394 -1.186 5.748 1.00 0.00 C ATOM 0 H VAL B 76 146.157 -1.976 3.880 1.00 0.00 H new ATOM 0 HA VAL B 76 145.419 0.788 4.139 1.00 0.00 H new ATOM 0 HB VAL B 76 146.506 -1.215 6.170 1.00 0.00 H new ATOM 0 HG11 VAL B 76 145.401 0.279 7.815 1.00 0.00 H new ATOM 0 HG12 VAL B 76 146.651 1.153 6.897 1.00 0.00 H new ATOM 0 HG13 VAL B 76 144.932 1.380 6.498 1.00 0.00 H new ATOM 0 HG21 VAL B 76 144.117 -1.570 6.730 1.00 0.00 H new ATOM 0 HG22 VAL B 76 143.644 -0.469 5.414 1.00 0.00 H new ATOM 0 HG23 VAL B 76 144.449 -2.011 5.038 1.00 0.00 H new ATOM 2624 N LEU B 77 148.567 -0.116 4.578 1.00 0.00 N ATOM 2625 CA LEU B 77 149.930 0.399 4.663 1.00 0.00 C ATOM 2626 C LEU B 77 150.256 1.273 3.454 1.00 0.00 C ATOM 2627 O LEU B 77 150.609 2.443 3.599 1.00 0.00 O ATOM 2628 CB LEU B 77 150.923 -0.762 4.738 1.00 0.00 C ATOM 2629 CG LEU B 77 150.568 -1.664 5.921 1.00 0.00 C ATOM 2630 CD1 LEU B 77 151.521 -2.860 5.954 1.00 0.00 C ATOM 2631 CD2 LEU B 77 150.699 -0.873 7.224 1.00 0.00 C ATOM 0 H LEU B 77 148.498 -1.133 4.548 1.00 0.00 H new ATOM 0 HA LEU B 77 150.010 1.006 5.565 1.00 0.00 H new ATOM 0 HB2 LEU B 77 150.899 -1.335 3.811 1.00 0.00 H new ATOM 0 HB3 LEU B 77 151.937 -0.380 4.851 1.00 0.00 H new ATOM 0 HG LEU B 77 149.543 -2.018 5.812 1.00 0.00 H new ATOM 0 HD11 LEU B 77 151.269 -3.503 6.797 1.00 0.00 H new ATOM 0 HD12 LEU B 77 151.429 -3.425 5.026 1.00 0.00 H new ATOM 0 HD13 LEU B 77 152.546 -2.506 6.062 1.00 0.00 H new ATOM 0 HD21 LEU B 77 150.446 -1.516 8.067 1.00 0.00 H new ATOM 0 HD22 LEU B 77 151.724 -0.518 7.333 1.00 0.00 H new ATOM 0 HD23 LEU B 77 150.021 -0.020 7.202 1.00 0.00 H new ATOM 2643 N VAL B 78 150.138 0.695 2.263 1.00 0.00 N ATOM 2644 CA VAL B 78 150.426 1.432 1.037 1.00 0.00 C ATOM 2645 C VAL B 78 149.749 2.799 1.060 1.00 0.00 C ATOM 2646 O VAL B 78 150.314 3.788 0.591 1.00 0.00 O ATOM 2647 CB VAL B 78 149.936 0.639 -0.175 1.00 0.00 C ATOM 2648 CG1 VAL B 78 150.752 -0.647 -0.308 1.00 0.00 C ATOM 2649 CG2 VAL B 78 148.460 0.288 0.012 1.00 0.00 C ATOM 0 H VAL B 78 149.848 -0.272 2.120 1.00 0.00 H new ATOM 0 HA VAL B 78 151.504 1.575 0.967 1.00 0.00 H new ATOM 0 HB VAL B 78 150.057 1.240 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL B 78 150.402 -1.212 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL B 78 151.805 -0.398 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL B 78 150.631 -1.249 0.592 1.00 0.00 H new ATOM 0 HG21 VAL B 78 148.108 -0.277 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL B 78 148.340 -0.313 0.913 1.00 0.00 H new ATOM 0 HG23 VAL B 78 147.877 1.204 0.107 1.00 0.00 H new ATOM 2659 N ALA B 79 148.539 2.848 1.605 1.00 0.00 N ATOM 2660 CA ALA B 79 147.795 4.100 1.680 1.00 0.00 C ATOM 2661 C ALA B 79 148.498 5.090 2.606 1.00 0.00 C ATOM 2662 O ALA B 79 148.445 6.301 2.390 1.00 0.00 O ATOM 2663 CB ALA B 79 146.377 3.834 2.191 1.00 0.00 C ATOM 0 H ALA B 79 148.055 2.041 1.999 1.00 0.00 H new ATOM 0 HA ALA B 79 147.745 4.532 0.680 1.00 0.00 H new ATOM 0 HB1 ALA B 79 145.827 4.774 2.244 1.00 0.00 H new ATOM 0 HB2 ALA B 79 145.867 3.153 1.510 1.00 0.00 H new ATOM 0 HB3 ALA B 79 146.426 3.385 3.183 1.00 0.00 H new ATOM 2669 N ALA B 80 149.153 4.568 3.638 1.00 0.00 N ATOM 2670 CA ALA B 80 149.860 5.416 4.591 1.00 0.00 C ATOM 2671 C ALA B 80 151.090 6.046 3.945 1.00 0.00 C ATOM 2672 O ALA B 80 151.311 7.252 4.051 1.00 0.00 O ATOM 2673 CB ALA B 80 150.283 4.595 5.809 1.00 0.00 C ATOM 0 H ALA B 80 149.209 3.569 3.835 1.00 0.00 H new ATOM 0 HA ALA B 80 149.185 6.212 4.907 1.00 0.00 H new ATOM 0 HB1 ALA B 80 150.810 5.237 6.515 1.00 0.00 H new ATOM 0 HB2 ALA B 80 149.399 4.176 6.290 1.00 0.00 H new ATOM 0 HB3 ALA B 80 150.942 3.786 5.492 1.00 0.00 H new ATOM 2679 N LEU B 81 151.891 5.220 3.279 1.00 0.00 N ATOM 2680 CA LEU B 81 153.098 5.710 2.621 1.00 0.00 C ATOM 2681 C LEU B 81 152.745 6.716 1.531 1.00 0.00 C ATOM 2682 O LEU B 81 153.456 7.699 1.325 1.00 0.00 O ATOM 2683 CB LEU B 81 153.871 4.540 2.008 1.00 0.00 C ATOM 2684 CG LEU B 81 154.679 3.822 3.095 1.00 0.00 C ATOM 2685 CD1 LEU B 81 155.830 4.716 3.579 1.00 0.00 C ATOM 2686 CD2 LEU B 81 153.758 3.487 4.273 1.00 0.00 C ATOM 0 H LEU B 81 151.729 4.218 3.181 1.00 0.00 H new ATOM 0 HA LEU B 81 153.720 6.205 3.367 1.00 0.00 H new ATOM 0 HB2 LEU B 81 153.179 3.842 1.537 1.00 0.00 H new ATOM 0 HB3 LEU B 81 154.539 4.903 1.227 1.00 0.00 H new ATOM 0 HG LEU B 81 155.097 2.904 2.681 1.00 0.00 H new ATOM 0 HD11 LEU B 81 156.396 4.194 4.351 1.00 0.00 H new ATOM 0 HD12 LEU B 81 156.487 4.948 2.741 1.00 0.00 H new ATOM 0 HD13 LEU B 81 155.425 5.641 3.989 1.00 0.00 H new ATOM 0 HD21 LEU B 81 154.330 2.976 5.048 1.00 0.00 H new ATOM 0 HD22 LEU B 81 153.337 4.407 4.679 1.00 0.00 H new ATOM 0 HD23 LEU B 81 152.951 2.839 3.931 1.00 0.00 H new ATOM 2698 N THR B 82 151.642 6.463 0.834 1.00 0.00 N ATOM 2699 CA THR B 82 151.203 7.353 -0.235 1.00 0.00 C ATOM 2700 C THR B 82 150.994 8.768 0.294 1.00 0.00 C ATOM 2701 O THR B 82 151.319 9.747 -0.380 1.00 0.00 O ATOM 2702 CB THR B 82 149.898 6.835 -0.844 1.00 0.00 C ATOM 2703 OG1 THR B 82 150.100 5.521 -1.344 1.00 0.00 O ATOM 2704 CG2 THR B 82 149.463 7.757 -1.983 1.00 0.00 C ATOM 0 H THR B 82 151.039 5.655 0.988 1.00 0.00 H new ATOM 0 HA THR B 82 151.977 7.376 -1.002 1.00 0.00 H new ATOM 0 HB THR B 82 149.121 6.817 -0.079 1.00 0.00 H new ATOM 0 HG1 THR B 82 149.233 5.084 -1.474 1.00 0.00 H new ATOM 0 HG21 THR B 82 148.534 7.387 -2.416 1.00 0.00 H new ATOM 0 HG22 THR B 82 149.308 8.764 -1.597 1.00 0.00 H new ATOM 0 HG23 THR B 82 150.237 7.778 -2.750 1.00 0.00 H new ATOM 2712 N VAL B 83 150.448 8.870 1.500 1.00 0.00 N ATOM 2713 CA VAL B 83 150.198 10.172 2.108 1.00 0.00 C ATOM 2714 C VAL B 83 151.511 10.893 2.400 1.00 0.00 C ATOM 2715 O VAL B 83 151.644 12.088 2.143 1.00 0.00 O ATOM 2716 CB VAL B 83 149.409 9.999 3.406 1.00 0.00 C ATOM 2717 CG1 VAL B 83 149.230 11.360 4.082 1.00 0.00 C ATOM 2718 CG2 VAL B 83 148.036 9.402 3.091 1.00 0.00 C ATOM 0 H VAL B 83 150.171 8.073 2.073 1.00 0.00 H new ATOM 0 HA VAL B 83 149.618 10.772 1.407 1.00 0.00 H new ATOM 0 HB VAL B 83 149.952 9.331 4.075 1.00 0.00 H new ATOM 0 HG11 VAL B 83 148.667 11.236 5.007 1.00 0.00 H new ATOM 0 HG12 VAL B 83 150.208 11.786 4.306 1.00 0.00 H new ATOM 0 HG13 VAL B 83 148.687 12.029 3.415 1.00 0.00 H new ATOM 0 HG21 VAL B 83 147.472 9.278 4.016 1.00 0.00 H new ATOM 0 HG22 VAL B 83 147.494 10.070 2.422 1.00 0.00 H new ATOM 0 HG23 VAL B 83 148.163 8.432 2.611 1.00 0.00 H new ATOM 2728 N ALA B 84 152.478 10.157 2.939 1.00 0.00 N ATOM 2729 CA ALA B 84 153.776 10.737 3.264 1.00 0.00 C ATOM 2730 C ALA B 84 154.504 11.172 1.996 1.00 0.00 C ATOM 2731 O ALA B 84 155.112 12.242 1.955 1.00 0.00 O ATOM 2732 CB ALA B 84 154.629 9.717 4.020 1.00 0.00 C ATOM 0 H ALA B 84 152.389 9.165 3.159 1.00 0.00 H new ATOM 0 HA ALA B 84 153.613 11.612 3.893 1.00 0.00 H new ATOM 0 HB1 ALA B 84 155.597 10.158 4.259 1.00 0.00 H new ATOM 0 HB2 ALA B 84 154.123 9.431 4.942 1.00 0.00 H new ATOM 0 HB3 ALA B 84 154.776 8.834 3.398 1.00 0.00 H new ATOM 2738 N CYS B 85 154.440 10.336 0.965 1.00 0.00 N ATOM 2739 CA CYS B 85 155.100 10.645 -0.299 1.00 0.00 C ATOM 2740 C CYS B 85 154.403 11.809 -0.998 1.00 0.00 C ATOM 2741 O CYS B 85 155.054 12.740 -1.471 1.00 0.00 O ATOM 2742 CB CYS B 85 155.083 9.418 -1.210 1.00 0.00 C ATOM 2743 SG CYS B 85 156.148 9.715 -2.643 1.00 0.00 S ATOM 0 H CYS B 85 153.942 9.446 0.978 1.00 0.00 H new ATOM 0 HA CYS B 85 156.132 10.927 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS B 85 155.428 8.541 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS B 85 154.065 9.209 -1.538 1.00 0.00 H new ATOM 0 HG CYS B 85 157.265 10.251 -2.250 1.00 0.00 H new ATOM 2749 N ASN B 86 153.077 11.749 -1.057 1.00 0.00 N ATOM 2750 CA ASN B 86 152.303 12.804 -1.701 1.00 0.00 C ATOM 2751 C ASN B 86 152.374 14.092 -0.887 1.00 0.00 C ATOM 2752 O ASN B 86 152.983 14.128 0.182 1.00 0.00 O ATOM 2753 CB ASN B 86 150.844 12.368 -1.844 1.00 0.00 C ATOM 2754 CG ASN B 86 150.174 13.151 -2.969 1.00 0.00 C ATOM 2755 OD1 ASN B 86 150.809 13.332 -4.094 1.00 0.00 O flip ATOM 2756 ND2 ASN B 86 149.043 13.611 -2.817 1.00 0.00 N flip ATOM 0 H ASN B 86 152.519 10.988 -0.670 1.00 0.00 H new ATOM 0 HA ASN B 86 152.725 12.988 -2.689 1.00 0.00 H new ATOM 0 HB2 ASN B 86 150.794 11.299 -2.053 1.00 0.00 H new ATOM 0 HB3 ASN B 86 150.312 12.534 -0.907 1.00 0.00 H new ATOM 0 HD21 ASN B 86 148.548 13.468 -1.936 1.00 0.00 H new ATOM 0 HD22 ASN B 86 148.600 14.135 -3.572 1.00 0.00 H new