USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1306 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 MET CE :methyl -133:sc= -0.275 (180deg=-1.44) USER MOD Set 1.2: B 81 THR OG1 : rot 76:sc= 0.331 USER MOD Set 2.1: B 57 MET CE :methyl 178:sc= 0 (180deg=-0.00292) USER MOD Set 2.2: B 68 CYS SG : rot -160:sc= -0.364 USER MOD Set 3.1: B 17 TYR OH : rot 167:sc= 0.827 USER MOD Set 3.2: B 38 ASN : amide:sc= 0.82 K(o=1.6,f=-4.6!) USER MOD Set 4.1: A 81 THR OG1 : rot 77:sc= 0.598 USER MOD Set 4.2: B 7 MET CE :methyl -135:sc= -0.183 (180deg=-1.26) USER MOD Set 5.1: A 57 MET CE :methyl 173:sc= 0 (180deg=-0.0435) USER MOD Set 5.2: A 68 CYS SG : rot -160:sc= -0.364 USER MOD Set 6.1: A 17 TYR OH : rot 158:sc= 0.902 USER MOD Set 6.2: A 38 ASN : amide:sc= 0.877 K(o=1.8,f=-4.5!) USER MOD Single : A 1 SER N :NH3+ 130:sc= 0.0576 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.237 USER MOD Single : A 5 LYS NZ :NH3+ 160:sc= -0.133 (180deg=-0.856) USER MOD Single : A 15 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.8!) USER MOD Single : A 18 SER OG : rot -158:sc= -0.0908 USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= -0.225 (180deg=-1.74!) USER MOD Single : A 25 HIS : no HE2:sc= -7.08! C(o=-7.1!,f=-11!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.87) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.3 K(o=-1.3,f=-7.4e-05) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.00197 K(o=-0.002,f=-1.3!) USER MOD Single : A 74 MET CE :methyl 168:sc= 0 (180deg=-0.0767) USER MOD Single : A 78 SER OG : rot -38:sc= -0.224 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 84:sc= 0.817 USER MOD Single : A 84 CYS SG : rot 22:sc= 1.06 USER MOD Single : B 1 SER N :NH3+ 139:sc= 0.072 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0.264 USER MOD Single : B 5 LYS NZ :NH3+ 141:sc= -0.133 (180deg=-0.729) USER MOD Single : B 15 HIS : no HD1:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : B 16 GLN : amide:sc= -0.0125 K(o=-0.013,f=-1.8!) USER MOD Single : B 18 SER OG : rot -156:sc= -0.0976 USER MOD Single : B 24 LYS NZ :NH3+ 142:sc= -0.225 (180deg=-1.78!) USER MOD Single : B 25 HIS : no HE2:sc= -6.75! C(o=-6.8!,f=-11!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.87) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.5!) USER MOD Single : B 74 MET CE :methyl 170:sc= 0 (180deg=-0.0752) USER MOD Single : B 78 SER OG : rot -33:sc= -0.32 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 86:sc= 0.752 USER MOD Single : B 84 CYS SG : rot 21:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 67.166 13.208 -10.206 1.00 0.00 N ATOM 2 CA SER A 1 68.060 12.190 -10.827 1.00 0.00 C ATOM 3 C SER A 1 67.459 10.796 -10.635 1.00 0.00 C ATOM 4 O SER A 1 66.713 10.553 -9.707 1.00 0.00 O ATOM 5 CB SER A 1 69.434 12.247 -10.162 1.00 0.00 C ATOM 6 OG SER A 1 69.346 11.695 -8.855 1.00 0.00 O ATOM 0 H1 SER A 1 67.725 13.831 -9.589 1.00 0.00 H new ATOM 0 H2 SER A 1 66.714 13.774 -10.952 1.00 0.00 H new ATOM 0 H3 SER A 1 66.434 12.730 -9.643 1.00 0.00 H new ATOM 0 HA SER A 1 68.161 12.398 -11.892 1.00 0.00 H new ATOM 0 HB2 SER A 1 70.161 11.693 -10.755 1.00 0.00 H new ATOM 0 HB3 SER A 1 69.784 13.278 -10.111 1.00 0.00 H new ATOM 0 HG SER A 1 70.226 11.728 -8.426 1.00 0.00 H new ATOM 14 N GLU A 2 67.775 9.880 -11.509 1.00 0.00 N ATOM 15 CA GLU A 2 67.224 8.502 -11.389 1.00 0.00 C ATOM 16 C GLU A 2 67.653 7.890 -10.055 1.00 0.00 C ATOM 17 O GLU A 2 66.925 7.127 -9.451 1.00 0.00 O ATOM 18 CB GLU A 2 67.759 7.644 -12.536 1.00 0.00 C ATOM 19 CG GLU A 2 67.231 8.187 -13.867 1.00 0.00 C ATOM 20 CD GLU A 2 67.766 7.329 -15.016 1.00 0.00 C ATOM 21 OE1 GLU A 2 68.629 6.506 -14.763 1.00 0.00 O ATOM 22 OE2 GLU A 2 67.298 7.508 -16.129 1.00 0.00 O ATOM 0 H GLU A 2 68.395 10.029 -12.305 1.00 0.00 H new ATOM 0 HA GLU A 2 66.136 8.541 -11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 2 68.849 7.653 -12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 2 67.449 6.607 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 2 66.141 8.178 -13.869 1.00 0.00 H new ATOM 0 HG3 GLU A 2 67.541 9.224 -13.998 1.00 0.00 H new ATOM 29 N LEU A 3 68.825 8.221 -9.584 1.00 0.00 N ATOM 30 CA LEU A 3 69.296 7.665 -8.285 1.00 0.00 C ATOM 31 C LEU A 3 68.507 8.314 -7.139 1.00 0.00 C ATOM 32 O LEU A 3 68.241 7.698 -6.126 1.00 0.00 O ATOM 33 CB LEU A 3 70.802 7.970 -8.136 1.00 0.00 C ATOM 34 CG LEU A 3 71.510 6.870 -7.319 1.00 0.00 C ATOM 35 CD1 LEU A 3 70.808 6.692 -5.967 1.00 0.00 C ATOM 36 CD2 LEU A 3 71.509 5.532 -8.095 1.00 0.00 C ATOM 0 H LEU A 3 69.478 8.855 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 3 69.138 6.587 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 3 71.260 8.048 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 3 70.935 8.934 -7.646 1.00 0.00 H new ATOM 0 HG LEU A 3 72.544 7.172 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 3 71.313 5.914 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 3 70.842 7.630 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 3 69.769 6.406 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 3 72.013 4.768 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 3 70.481 5.224 -8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 3 72.032 5.661 -9.043 1.00 0.00 H new ATOM 48 N GLU A 4 68.124 9.552 -7.294 1.00 0.00 N ATOM 49 CA GLU A 4 67.351 10.234 -6.217 1.00 0.00 C ATOM 50 C GLU A 4 66.038 9.488 -5.981 1.00 0.00 C ATOM 51 O GLU A 4 65.648 9.226 -4.861 1.00 0.00 O ATOM 52 CB GLU A 4 67.063 11.678 -6.648 1.00 0.00 C ATOM 53 CG GLU A 4 66.353 12.438 -5.521 1.00 0.00 C ATOM 54 CD GLU A 4 67.278 12.542 -4.306 1.00 0.00 C ATOM 55 OE1 GLU A 4 68.474 12.374 -4.482 1.00 0.00 O ATOM 56 OE2 GLU A 4 66.776 12.787 -3.222 1.00 0.00 O ATOM 0 H GLU A 4 68.313 10.121 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 4 67.927 10.239 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 4 67.995 12.181 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 4 66.443 11.680 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 4 66.072 13.434 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 4 65.432 11.923 -5.246 1.00 0.00 H new ATOM 63 N LYS A 5 65.351 9.149 -7.037 1.00 0.00 N ATOM 64 CA LYS A 5 64.056 8.424 -6.895 1.00 0.00 C ATOM 65 C LYS A 5 64.292 7.063 -6.241 1.00 0.00 C ATOM 66 O LYS A 5 63.522 6.615 -5.417 1.00 0.00 O ATOM 67 CB LYS A 5 63.432 8.213 -8.274 1.00 0.00 C ATOM 68 CG LYS A 5 63.056 9.567 -8.875 1.00 0.00 C ATOM 69 CD LYS A 5 62.432 9.354 -10.254 1.00 0.00 C ATOM 70 CE LYS A 5 62.057 10.707 -10.854 1.00 0.00 C ATOM 71 NZ LYS A 5 63.277 11.558 -10.948 1.00 0.00 N ATOM 0 H LYS A 5 65.632 9.344 -7.998 1.00 0.00 H new ATOM 0 HA LYS A 5 63.385 9.016 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 5 64.134 7.695 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 5 62.548 7.581 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 5 62.354 10.085 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 5 63.940 10.199 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 5 63.134 8.836 -10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 5 61.548 8.722 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 5 61.618 10.571 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 5 61.305 11.196 -10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.118 12.317 -11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.482 11.975 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.084 10.976 -11.252 1.00 0.00 H new ATOM 85 N ALA A 6 65.351 6.401 -6.612 1.00 0.00 N ATOM 86 CA ALA A 6 65.631 5.067 -6.019 1.00 0.00 C ATOM 87 C ALA A 6 65.787 5.214 -4.505 1.00 0.00 C ATOM 88 O ALA A 6 65.223 4.458 -3.739 1.00 0.00 O ATOM 89 CB ALA A 6 66.923 4.504 -6.618 1.00 0.00 C ATOM 0 H ALA A 6 66.032 6.725 -7.298 1.00 0.00 H new ATOM 0 HA ALA A 6 64.808 4.387 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 6 67.129 3.526 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 6 66.811 4.405 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 6 67.750 5.180 -6.399 1.00 0.00 H new ATOM 95 N MET A 7 66.537 6.186 -4.065 1.00 0.00 N ATOM 96 CA MET A 7 66.709 6.384 -2.600 1.00 0.00 C ATOM 97 C MET A 7 65.356 6.688 -1.958 1.00 0.00 C ATOM 98 O MET A 7 64.988 6.116 -0.951 1.00 0.00 O ATOM 99 CB MET A 7 67.660 7.551 -2.348 1.00 0.00 C ATOM 100 CG MET A 7 67.983 7.623 -0.856 1.00 0.00 C ATOM 101 SD MET A 7 69.168 8.960 -0.559 1.00 0.00 S ATOM 102 CE MET A 7 70.591 8.224 -1.408 1.00 0.00 C ATOM 0 H MET A 7 67.037 6.850 -4.656 1.00 0.00 H new ATOM 0 HA MET A 7 67.123 5.475 -2.163 1.00 0.00 H new ATOM 0 HB2 MET A 7 68.576 7.420 -2.925 1.00 0.00 H new ATOM 0 HB3 MET A 7 67.205 8.484 -2.679 1.00 0.00 H new ATOM 0 HG2 MET A 7 67.072 7.796 -0.284 1.00 0.00 H new ATOM 0 HG3 MET A 7 68.397 6.674 -0.516 1.00 0.00 H new ATOM 0 HE1 MET A 7 71.475 8.308 -0.776 1.00 0.00 H new ATOM 0 HE2 MET A 7 70.389 7.172 -1.612 1.00 0.00 H new ATOM 0 HE3 MET A 7 70.766 8.749 -2.347 1.00 0.00 H new ATOM 112 N VAL A 8 64.629 7.617 -2.517 1.00 0.00 N ATOM 113 CA VAL A 8 63.318 7.999 -1.922 1.00 0.00 C ATOM 114 C VAL A 8 62.399 6.774 -1.896 1.00 0.00 C ATOM 115 O VAL A 8 61.697 6.543 -0.931 1.00 0.00 O ATOM 116 CB VAL A 8 62.689 9.113 -2.771 1.00 0.00 C ATOM 117 CG1 VAL A 8 61.240 9.356 -2.331 1.00 0.00 C ATOM 118 CG2 VAL A 8 63.501 10.401 -2.597 1.00 0.00 C ATOM 0 H VAL A 8 64.887 8.128 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 8 63.459 8.359 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 8 62.695 8.813 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 8 60.803 10.148 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 8 60.663 8.440 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 8 61.223 9.653 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 8 63.058 11.195 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 8 63.496 10.695 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 8 64.528 10.231 -2.921 1.00 0.00 H new ATOM 128 N ALA A 9 62.412 5.972 -2.923 1.00 0.00 N ATOM 129 CA ALA A 9 61.548 4.759 -2.903 1.00 0.00 C ATOM 130 C ALA A 9 61.973 3.888 -1.716 1.00 0.00 C ATOM 131 O ALA A 9 61.156 3.297 -1.038 1.00 0.00 O ATOM 132 CB ALA A 9 61.705 3.973 -4.213 1.00 0.00 C ATOM 0 H ALA A 9 62.975 6.100 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 9 60.502 5.049 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 9 61.068 3.089 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 9 61.414 4.604 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 62.745 3.668 -4.332 1.00 0.00 H new ATOM 138 N LEU A 10 63.254 3.788 -1.484 1.00 0.00 N ATOM 139 CA LEU A 10 63.758 2.934 -0.366 1.00 0.00 C ATOM 140 C LEU A 10 63.192 3.431 0.977 1.00 0.00 C ATOM 141 O LEU A 10 62.660 2.661 1.752 1.00 0.00 O ATOM 142 CB LEU A 10 65.300 3.011 -0.348 1.00 0.00 C ATOM 143 CG LEU A 10 65.920 1.726 0.237 1.00 0.00 C ATOM 144 CD1 LEU A 10 65.259 1.380 1.577 1.00 0.00 C ATOM 145 CD2 LEU A 10 65.759 0.546 -0.745 1.00 0.00 C ATOM 0 H LEU A 10 63.978 4.263 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 10 63.437 1.903 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.670 3.167 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.616 3.871 0.242 1.00 0.00 H new ATOM 0 HG LEU A 10 66.983 1.904 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 10 65.706 0.471 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.410 2.200 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.191 1.223 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 10 66.203 -0.350 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.700 0.371 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 10 66.260 0.783 -1.684 1.00 0.00 H new ATOM 157 N ILE A 11 63.310 4.701 1.266 1.00 0.00 N ATOM 158 CA ILE A 11 62.786 5.224 2.567 1.00 0.00 C ATOM 159 C ILE A 11 61.278 4.965 2.652 1.00 0.00 C ATOM 160 O ILE A 11 60.774 4.463 3.637 1.00 0.00 O ATOM 161 CB ILE A 11 63.060 6.733 2.639 1.00 0.00 C ATOM 162 CG1 ILE A 11 64.572 6.970 2.632 1.00 0.00 C ATOM 163 CG2 ILE A 11 62.465 7.317 3.925 1.00 0.00 C ATOM 164 CD1 ILE A 11 64.855 8.460 2.424 1.00 0.00 C ATOM 0 H ILE A 11 63.745 5.398 0.661 1.00 0.00 H new ATOM 0 HA ILE A 11 63.280 4.721 3.398 1.00 0.00 H new ATOM 0 HB ILE A 11 62.600 7.221 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 11 65.008 6.634 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 11 65.039 6.386 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 11 62.666 8.388 3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 11 61.388 7.149 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 11 62.918 6.830 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 11 65.932 8.629 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 11 64.433 8.781 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 11 64.402 9.033 3.233 1.00 0.00 H new ATOM 176 N ASP A 12 60.557 5.330 1.632 1.00 0.00 N ATOM 177 CA ASP A 12 59.079 5.138 1.654 1.00 0.00 C ATOM 178 C ASP A 12 58.771 3.655 1.882 1.00 0.00 C ATOM 179 O ASP A 12 57.868 3.301 2.613 1.00 0.00 O ATOM 180 CB ASP A 12 58.491 5.583 0.313 1.00 0.00 C ATOM 181 CG ASP A 12 56.973 5.404 0.330 1.00 0.00 C ATOM 182 OD1 ASP A 12 56.480 4.773 1.249 1.00 0.00 O ATOM 183 OD2 ASP A 12 56.329 5.904 -0.578 1.00 0.00 O ATOM 0 H ASP A 12 60.926 5.754 0.781 1.00 0.00 H new ATOM 0 HA ASP A 12 58.640 5.731 2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 12 58.741 6.627 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 12 58.927 4.999 -0.498 1.00 0.00 H new ATOM 188 N VAL A 13 59.523 2.790 1.267 1.00 0.00 N ATOM 189 CA VAL A 13 59.290 1.330 1.449 1.00 0.00 C ATOM 190 C VAL A 13 59.685 0.899 2.872 1.00 0.00 C ATOM 191 O VAL A 13 59.024 0.086 3.486 1.00 0.00 O ATOM 192 CB VAL A 13 60.119 0.557 0.415 1.00 0.00 C ATOM 193 CG1 VAL A 13 60.095 -0.942 0.733 1.00 0.00 C ATOM 194 CG2 VAL A 13 59.523 0.786 -0.978 1.00 0.00 C ATOM 0 H VAL A 13 60.293 3.031 0.643 1.00 0.00 H new ATOM 0 HA VAL A 13 58.232 1.112 1.306 1.00 0.00 H new ATOM 0 HB VAL A 13 61.149 0.911 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 13 60.687 -1.481 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 13 60.515 -1.110 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 13 59.067 -1.303 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 13 60.107 0.239 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 13 58.492 0.432 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 13 59.545 1.850 -1.213 1.00 0.00 H new ATOM 204 N PHE A 14 60.764 1.419 3.395 1.00 0.00 N ATOM 205 CA PHE A 14 61.200 1.015 4.767 1.00 0.00 C ATOM 206 C PHE A 14 60.145 1.390 5.817 1.00 0.00 C ATOM 207 O PHE A 14 59.689 0.552 6.572 1.00 0.00 O ATOM 208 CB PHE A 14 62.514 1.734 5.098 1.00 0.00 C ATOM 209 CG PHE A 14 62.921 1.454 6.528 1.00 0.00 C ATOM 210 CD1 PHE A 14 62.473 2.289 7.560 1.00 0.00 C ATOM 211 CD2 PHE A 14 63.758 0.371 6.823 1.00 0.00 C ATOM 212 CE1 PHE A 14 62.859 2.040 8.883 1.00 0.00 C ATOM 213 CE2 PHE A 14 64.144 0.121 8.146 1.00 0.00 C ATOM 214 CZ PHE A 14 63.695 0.955 9.176 1.00 0.00 C ATOM 0 H PHE A 14 61.362 2.105 2.934 1.00 0.00 H new ATOM 0 HA PHE A 14 61.335 -0.066 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 14 63.299 1.403 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 14 62.396 2.807 4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 14 61.829 3.126 7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 14 64.107 -0.273 6.029 1.00 0.00 H new ATOM 0 HE1 PHE A 14 62.512 2.684 9.677 1.00 0.00 H new ATOM 0 HE2 PHE A 14 64.788 -0.716 8.371 1.00 0.00 H new ATOM 0 HZ PHE A 14 63.993 0.762 10.196 1.00 0.00 H new ATOM 224 N HIS A 15 59.801 2.645 5.924 1.00 0.00 N ATOM 225 CA HIS A 15 58.835 3.067 6.983 1.00 0.00 C ATOM 226 C HIS A 15 57.485 2.367 6.836 1.00 0.00 C ATOM 227 O HIS A 15 56.893 1.966 7.818 1.00 0.00 O ATOM 228 CB HIS A 15 58.629 4.581 6.906 1.00 0.00 C ATOM 229 CG HIS A 15 59.860 5.282 7.406 1.00 0.00 C ATOM 230 ND1 HIS A 15 59.955 5.773 8.701 1.00 0.00 N ATOM 231 CD2 HIS A 15 61.053 5.582 6.801 1.00 0.00 C ATOM 232 CE1 HIS A 15 61.168 6.339 8.831 1.00 0.00 C ATOM 233 NE2 HIS A 15 61.876 6.249 7.703 1.00 0.00 N ATOM 0 H HIS A 15 60.145 3.396 5.326 1.00 0.00 H new ATOM 0 HA HIS A 15 59.255 2.786 7.949 1.00 0.00 H new ATOM 0 HB2 HIS A 15 58.421 4.878 5.878 1.00 0.00 H new ATOM 0 HB3 HIS A 15 57.765 4.872 7.503 1.00 0.00 H new ATOM 0 HD2 HIS A 15 61.314 5.338 5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 15 61.525 6.808 9.736 1.00 0.00 H new ATOM 0 HE2 HIS A 15 62.821 6.596 7.537 1.00 0.00 H new ATOM 242 N GLN A 16 56.975 2.204 5.650 1.00 0.00 N ATOM 243 CA GLN A 16 55.658 1.521 5.518 1.00 0.00 C ATOM 244 C GLN A 16 55.773 0.071 5.986 1.00 0.00 C ATOM 245 O GLN A 16 54.895 -0.455 6.639 1.00 0.00 O ATOM 246 CB GLN A 16 55.214 1.555 4.054 1.00 0.00 C ATOM 247 CG GLN A 16 53.863 0.853 3.909 1.00 0.00 C ATOM 248 CD GLN A 16 53.343 1.040 2.483 1.00 0.00 C ATOM 249 OE1 GLN A 16 53.874 1.831 1.729 1.00 0.00 O ATOM 250 NE2 GLN A 16 52.329 0.329 2.072 1.00 0.00 N ATOM 0 H GLN A 16 57.404 2.509 4.776 1.00 0.00 H new ATOM 0 HA GLN A 16 54.922 2.036 6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 16 55.137 2.587 3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 16 55.959 1.065 3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.967 -0.209 4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 16 53.150 1.262 4.624 1.00 0.00 H new ATOM 0 HE21 GLN A 16 51.882 -0.335 2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 16 51.983 0.438 1.119 1.00 0.00 H new ATOM 259 N TYR A 17 56.854 -0.572 5.657 1.00 0.00 N ATOM 260 CA TYR A 17 57.038 -1.989 6.080 1.00 0.00 C ATOM 261 C TYR A 17 57.312 -2.048 7.589 1.00 0.00 C ATOM 262 O TYR A 17 56.737 -2.846 8.302 1.00 0.00 O ATOM 263 CB TYR A 17 58.218 -2.602 5.304 1.00 0.00 C ATOM 264 CG TYR A 17 57.733 -3.179 3.986 1.00 0.00 C ATOM 265 CD1 TYR A 17 57.202 -2.336 3.002 1.00 0.00 C ATOM 266 CD2 TYR A 17 57.818 -4.559 3.753 1.00 0.00 C ATOM 267 CE1 TYR A 17 56.756 -2.873 1.787 1.00 0.00 C ATOM 268 CE2 TYR A 17 57.375 -5.094 2.539 1.00 0.00 C ATOM 269 CZ TYR A 17 56.844 -4.251 1.555 1.00 0.00 C ATOM 270 OH TYR A 17 56.406 -4.779 0.357 1.00 0.00 O ATOM 0 H TYR A 17 57.621 -0.179 5.112 1.00 0.00 H new ATOM 0 HA TYR A 17 56.132 -2.556 5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 17 58.976 -1.841 5.120 1.00 0.00 H new ATOM 0 HB3 TYR A 17 58.689 -3.383 5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 17 57.136 -1.273 3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 17 58.226 -5.210 4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 17 56.344 -2.223 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 17 57.442 -6.157 2.361 1.00 0.00 H new ATOM 0 HH TYR A 17 56.838 -5.645 0.204 1.00 0.00 H new ATOM 280 N SER A 18 58.191 -1.216 8.078 1.00 0.00 N ATOM 281 CA SER A 18 58.508 -1.228 9.535 1.00 0.00 C ATOM 282 C SER A 18 57.349 -0.626 10.331 1.00 0.00 C ATOM 283 O SER A 18 57.225 -0.844 11.519 1.00 0.00 O ATOM 284 CB SER A 18 59.776 -0.415 9.790 1.00 0.00 C ATOM 285 OG SER A 18 59.515 0.957 9.535 1.00 0.00 O ATOM 0 H SER A 18 58.705 -0.526 7.530 1.00 0.00 H new ATOM 0 HA SER A 18 58.663 -2.258 9.855 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.106 -0.549 10.820 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.583 -0.768 9.148 1.00 0.00 H new ATOM 0 HG SER A 18 60.358 1.421 9.348 1.00 0.00 H new ATOM 291 N GLY A 19 56.499 0.131 9.690 1.00 0.00 N ATOM 292 CA GLY A 19 55.347 0.745 10.414 1.00 0.00 C ATOM 293 C GLY A 19 54.160 -0.218 10.397 1.00 0.00 C ATOM 294 O GLY A 19 53.041 0.161 10.681 1.00 0.00 O ATOM 0 H GLY A 19 56.552 0.351 8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 19 55.630 0.972 11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 19 55.070 1.688 9.944 1.00 0.00 H new ATOM 298 N ARG A 20 54.390 -1.466 10.084 1.00 0.00 N ATOM 299 CA ARG A 20 53.268 -2.442 10.075 1.00 0.00 C ATOM 300 C ARG A 20 52.948 -2.856 11.512 1.00 0.00 C ATOM 301 O ARG A 20 51.802 -2.940 11.907 1.00 0.00 O ATOM 302 CB ARG A 20 53.670 -3.679 9.264 1.00 0.00 C ATOM 303 CG ARG A 20 53.753 -3.313 7.781 1.00 0.00 C ATOM 304 CD ARG A 20 54.155 -4.545 6.967 1.00 0.00 C ATOM 305 NE ARG A 20 53.070 -5.567 7.034 1.00 0.00 N ATOM 306 CZ ARG A 20 53.064 -6.565 6.191 1.00 0.00 C ATOM 307 NH1 ARG A 20 54.003 -6.667 5.292 1.00 0.00 N ATOM 308 NH2 ARG A 20 52.117 -7.461 6.249 1.00 0.00 N ATOM 0 H ARG A 20 55.303 -1.848 9.836 1.00 0.00 H new ATOM 0 HA ARG A 20 52.389 -1.983 9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.632 -4.057 9.610 1.00 0.00 H new ATOM 0 HB3 ARG A 20 52.942 -4.476 9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 20 52.791 -2.935 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 20 54.480 -2.515 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 20 54.339 -4.264 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 20 55.085 -4.962 7.354 1.00 0.00 H new ATOM 0 HE ARG A 20 52.335 -5.487 7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 20 54.744 -5.967 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 20 53.997 -7.447 4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.382 -7.382 6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 20 52.111 -8.241 5.591 1.00 0.00 H new ATOM 322 N GLU A 21 53.961 -3.126 12.296 1.00 0.00 N ATOM 323 CA GLU A 21 53.738 -3.547 13.708 1.00 0.00 C ATOM 324 C GLU A 21 54.936 -3.112 14.560 1.00 0.00 C ATOM 325 O GLU A 21 56.075 -3.350 14.210 1.00 0.00 O ATOM 326 CB GLU A 21 53.597 -5.073 13.754 1.00 0.00 C ATOM 327 CG GLU A 21 53.022 -5.512 15.105 1.00 0.00 C ATOM 328 CD GLU A 21 54.058 -5.287 16.208 1.00 0.00 C ATOM 329 OE1 GLU A 21 55.128 -5.865 16.113 1.00 0.00 O ATOM 330 OE2 GLU A 21 53.763 -4.544 17.128 1.00 0.00 O ATOM 0 H GLU A 21 54.940 -3.072 12.014 1.00 0.00 H new ATOM 0 HA GLU A 21 52.832 -3.084 14.099 1.00 0.00 H new ATOM 0 HB2 GLU A 21 52.946 -5.410 12.947 1.00 0.00 H new ATOM 0 HB3 GLU A 21 54.569 -5.540 13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 21 52.115 -4.948 15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 21 52.742 -6.565 15.066 1.00 0.00 H new ATOM 337 N GLY A 22 54.690 -2.478 15.678 1.00 0.00 N ATOM 338 CA GLY A 22 55.817 -2.030 16.557 1.00 0.00 C ATOM 339 C GLY A 22 56.164 -0.570 16.252 1.00 0.00 C ATOM 340 O GLY A 22 55.556 0.060 15.409 1.00 0.00 O ATOM 0 H GLY A 22 53.757 -2.250 16.022 1.00 0.00 H new ATOM 0 HA2 GLY A 22 55.537 -2.135 17.605 1.00 0.00 H new ATOM 0 HA3 GLY A 22 56.690 -2.662 16.395 1.00 0.00 H new ATOM 344 N ASP A 23 57.134 -0.026 16.937 1.00 0.00 N ATOM 345 CA ASP A 23 57.516 1.396 16.694 1.00 0.00 C ATOM 346 C ASP A 23 58.312 1.513 15.392 1.00 0.00 C ATOM 347 O ASP A 23 59.013 0.605 14.991 1.00 0.00 O ATOM 348 CB ASP A 23 58.372 1.904 17.857 1.00 0.00 C ATOM 349 CG ASP A 23 57.504 2.044 19.108 1.00 0.00 C ATOM 350 OD1 ASP A 23 56.296 2.122 18.960 1.00 0.00 O ATOM 351 OD2 ASP A 23 58.062 2.073 20.193 1.00 0.00 O ATOM 0 H ASP A 23 57.679 -0.505 17.654 1.00 0.00 H new ATOM 0 HA ASP A 23 56.609 1.996 16.615 1.00 0.00 H new ATOM 0 HB2 ASP A 23 59.193 1.213 18.047 1.00 0.00 H new ATOM 0 HB3 ASP A 23 58.818 2.865 17.601 1.00 0.00 H new ATOM 356 N LYS A 24 58.206 2.634 14.732 1.00 0.00 N ATOM 357 CA LYS A 24 58.949 2.838 13.457 1.00 0.00 C ATOM 358 C LYS A 24 60.446 2.964 13.752 1.00 0.00 C ATOM 359 O LYS A 24 60.835 3.478 14.777 1.00 0.00 O ATOM 360 CB LYS A 24 58.455 4.122 12.789 1.00 0.00 C ATOM 361 CG LYS A 24 56.999 3.943 12.357 1.00 0.00 C ATOM 362 CD LYS A 24 56.505 5.228 11.689 1.00 0.00 C ATOM 363 CE LYS A 24 55.047 5.057 11.253 1.00 0.00 C ATOM 364 NZ LYS A 24 54.996 4.259 9.995 1.00 0.00 N ATOM 0 H LYS A 24 57.631 3.424 15.025 1.00 0.00 H new ATOM 0 HA LYS A 24 58.780 1.989 12.795 1.00 0.00 H new ATOM 0 HB2 LYS A 24 58.540 4.960 13.480 1.00 0.00 H new ATOM 0 HB3 LYS A 24 59.076 4.357 11.925 1.00 0.00 H new ATOM 0 HG2 LYS A 24 56.914 3.105 11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 24 56.378 3.708 13.221 1.00 0.00 H new ATOM 0 HD2 LYS A 24 56.592 6.065 12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 24 57.127 5.463 10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 24 54.478 4.557 12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 24 54.586 6.032 11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 54.167 3.632 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 54.925 4.901 9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 55.861 3.687 9.911 1.00 0.00 H new ATOM 378 N HIS A 25 61.279 2.491 12.859 1.00 0.00 N ATOM 379 CA HIS A 25 62.760 2.555 13.057 1.00 0.00 C ATOM 380 C HIS A 25 63.201 1.401 13.965 1.00 0.00 C ATOM 381 O HIS A 25 64.253 1.434 14.571 1.00 0.00 O ATOM 382 CB HIS A 25 63.157 3.943 13.628 1.00 0.00 C ATOM 383 CG HIS A 25 63.432 3.912 15.122 1.00 0.00 C ATOM 384 ND1 HIS A 25 62.785 3.044 15.994 1.00 0.00 N ATOM 385 CD2 HIS A 25 64.281 4.658 15.905 1.00 0.00 C ATOM 386 CE1 HIS A 25 63.248 3.291 17.234 1.00 0.00 C ATOM 387 NE2 HIS A 25 64.160 4.263 17.232 1.00 0.00 N ATOM 0 H HIS A 25 60.989 2.055 11.984 1.00 0.00 H new ATOM 0 HA HIS A 25 63.275 2.441 12.103 1.00 0.00 H new ATOM 0 HB2 HIS A 25 64.044 4.304 13.108 1.00 0.00 H new ATOM 0 HB3 HIS A 25 62.357 4.656 13.426 1.00 0.00 H new ATOM 0 HD1 HIS A 25 62.086 2.346 15.740 1.00 0.00 H new ATOM 0 HD2 HIS A 25 64.941 5.433 15.544 1.00 0.00 H new ATOM 0 HE1 HIS A 25 62.921 2.767 18.120 1.00 0.00 H new ATOM 396 N LYS A 26 62.400 0.369 14.039 1.00 0.00 N ATOM 397 CA LYS A 26 62.758 -0.812 14.878 1.00 0.00 C ATOM 398 C LYS A 26 62.118 -2.062 14.266 1.00 0.00 C ATOM 399 O LYS A 26 60.918 -2.242 14.318 1.00 0.00 O ATOM 400 CB LYS A 26 62.238 -0.610 16.303 1.00 0.00 C ATOM 401 CG LYS A 26 62.625 -1.824 17.152 1.00 0.00 C ATOM 402 CD LYS A 26 62.308 -1.556 18.631 1.00 0.00 C ATOM 403 CE LYS A 26 60.805 -1.712 18.882 1.00 0.00 C ATOM 404 NZ LYS A 26 60.549 -1.694 20.349 1.00 0.00 N ATOM 0 H LYS A 26 61.508 0.294 13.551 1.00 0.00 H new ATOM 0 HA LYS A 26 63.841 -0.929 14.911 1.00 0.00 H new ATOM 0 HB2 LYS A 26 62.659 0.299 16.732 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.155 -0.486 16.295 1.00 0.00 H new ATOM 0 HG2 LYS A 26 62.082 -2.705 16.810 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.687 -2.038 17.033 1.00 0.00 H new ATOM 0 HD2 LYS A 26 62.864 -2.249 19.262 1.00 0.00 H new ATOM 0 HD3 LYS A 26 62.628 -0.550 18.903 1.00 0.00 H new ATOM 0 HE2 LYS A 26 60.257 -0.905 18.395 1.00 0.00 H new ATOM 0 HE3 LYS A 26 60.447 -2.646 18.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 59.529 -1.800 20.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 61.061 -2.478 20.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 60.877 -0.791 20.748 1.00 0.00 H new ATOM 418 N LEU A 27 62.906 -2.921 13.668 1.00 0.00 N ATOM 419 CA LEU A 27 62.336 -4.152 13.030 1.00 0.00 C ATOM 420 C LEU A 27 62.447 -5.340 13.997 1.00 0.00 C ATOM 421 O LEU A 27 63.522 -5.721 14.416 1.00 0.00 O ATOM 422 CB LEU A 27 63.120 -4.453 11.749 1.00 0.00 C ATOM 423 CG LEU A 27 62.667 -3.517 10.619 1.00 0.00 C ATOM 424 CD1 LEU A 27 63.033 -2.069 10.960 1.00 0.00 C ATOM 425 CD2 LEU A 27 63.373 -3.922 9.325 1.00 0.00 C ATOM 0 H LEU A 27 63.919 -2.825 13.593 1.00 0.00 H new ATOM 0 HA LEU A 27 61.285 -3.990 12.791 1.00 0.00 H new ATOM 0 HB2 LEU A 27 64.188 -4.328 11.929 1.00 0.00 H new ATOM 0 HB3 LEU A 27 62.966 -5.491 11.455 1.00 0.00 H new ATOM 0 HG LEU A 27 61.587 -3.594 10.498 1.00 0.00 H new ATOM 0 HD11 LEU A 27 62.708 -1.412 10.153 1.00 0.00 H new ATOM 0 HD12 LEU A 27 62.539 -1.777 11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 27 64.113 -1.986 11.083 1.00 0.00 H new ATOM 0 HD21 LEU A 27 63.057 -3.263 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 27 64.452 -3.842 9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 27 63.114 -4.951 9.076 1.00 0.00 H new ATOM 437 N LYS A 28 61.328 -5.928 14.349 1.00 0.00 N ATOM 438 CA LYS A 28 61.332 -7.095 15.289 1.00 0.00 C ATOM 439 C LYS A 28 61.394 -8.403 14.486 1.00 0.00 C ATOM 440 O LYS A 28 61.204 -8.412 13.287 1.00 0.00 O ATOM 441 CB LYS A 28 60.049 -7.062 16.131 1.00 0.00 C ATOM 442 CG LYS A 28 60.153 -8.068 17.291 1.00 0.00 C ATOM 443 CD LYS A 28 58.955 -7.914 18.247 1.00 0.00 C ATOM 444 CE LYS A 28 59.220 -6.805 19.278 1.00 0.00 C ATOM 445 NZ LYS A 28 60.004 -7.362 20.418 1.00 0.00 N ATOM 0 H LYS A 28 60.404 -5.647 14.022 1.00 0.00 H new ATOM 0 HA LYS A 28 62.201 -7.039 15.944 1.00 0.00 H new ATOM 0 HB2 LYS A 28 59.888 -6.058 16.523 1.00 0.00 H new ATOM 0 HB3 LYS A 28 59.188 -7.302 15.507 1.00 0.00 H new ATOM 0 HG2 LYS A 28 60.184 -9.084 16.897 1.00 0.00 H new ATOM 0 HG3 LYS A 28 61.084 -7.909 17.836 1.00 0.00 H new ATOM 0 HD2 LYS A 28 58.056 -7.680 17.677 1.00 0.00 H new ATOM 0 HD3 LYS A 28 58.770 -8.858 18.760 1.00 0.00 H new ATOM 0 HE2 LYS A 28 59.767 -5.985 18.813 1.00 0.00 H new ATOM 0 HE3 LYS A 28 58.276 -6.395 19.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 60.183 -6.612 21.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 59.466 -8.131 20.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 60.910 -7.733 20.068 1.00 0.00 H new ATOM 459 N LYS A 29 61.669 -9.510 15.130 1.00 0.00 N ATOM 460 CA LYS A 29 61.750 -10.801 14.383 1.00 0.00 C ATOM 461 C LYS A 29 60.473 -10.990 13.557 1.00 0.00 C ATOM 462 O LYS A 29 60.517 -11.385 12.410 1.00 0.00 O ATOM 463 CB LYS A 29 61.874 -11.964 15.373 1.00 0.00 C ATOM 464 CG LYS A 29 63.136 -11.802 16.221 1.00 0.00 C ATOM 465 CD LYS A 29 63.239 -12.973 17.201 1.00 0.00 C ATOM 466 CE LYS A 29 64.498 -12.822 18.057 1.00 0.00 C ATOM 467 NZ LYS A 29 64.437 -13.781 19.197 1.00 0.00 N ATOM 0 H LYS A 29 61.840 -9.575 16.134 1.00 0.00 H new ATOM 0 HA LYS A 29 62.621 -10.782 13.728 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.996 -11.998 16.018 1.00 0.00 H new ATOM 0 HB3 LYS A 29 61.909 -12.910 14.832 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.017 -11.770 15.580 1.00 0.00 H new ATOM 0 HG3 LYS A 29 63.104 -10.858 16.766 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.356 -13.004 17.839 1.00 0.00 H new ATOM 0 HD3 LYS A 29 63.271 -13.915 16.654 1.00 0.00 H new ATOM 0 HE2 LYS A 29 65.386 -13.012 17.454 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.578 -11.801 18.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.292 -13.681 19.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.597 -13.579 19.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.380 -14.753 18.831 1.00 0.00 H new ATOM 481 N SER A 30 59.339 -10.694 14.128 1.00 0.00 N ATOM 482 CA SER A 30 58.060 -10.836 13.375 1.00 0.00 C ATOM 483 C SER A 30 58.106 -9.933 12.142 1.00 0.00 C ATOM 484 O SER A 30 57.673 -10.296 11.065 1.00 0.00 O ATOM 485 CB SER A 30 56.890 -10.425 14.269 1.00 0.00 C ATOM 486 OG SER A 30 56.729 -11.387 15.303 1.00 0.00 O ATOM 0 H SER A 30 59.242 -10.359 15.086 1.00 0.00 H new ATOM 0 HA SER A 30 57.927 -11.873 13.067 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.074 -9.440 14.698 1.00 0.00 H new ATOM 0 HB3 SER A 30 55.976 -10.351 13.680 1.00 0.00 H new ATOM 0 HG SER A 30 55.981 -11.126 15.879 1.00 0.00 H new ATOM 492 N GLU A 31 58.651 -8.762 12.301 1.00 0.00 N ATOM 493 CA GLU A 31 58.762 -7.817 11.157 1.00 0.00 C ATOM 494 C GLU A 31 59.761 -8.382 10.142 1.00 0.00 C ATOM 495 O GLU A 31 59.577 -8.284 8.946 1.00 0.00 O ATOM 496 CB GLU A 31 59.254 -6.457 11.659 1.00 0.00 C ATOM 497 CG GLU A 31 58.153 -5.788 12.485 1.00 0.00 C ATOM 498 CD GLU A 31 58.683 -4.479 13.075 1.00 0.00 C ATOM 499 OE1 GLU A 31 59.300 -4.534 14.127 1.00 0.00 O ATOM 500 OE2 GLU A 31 58.463 -3.446 12.467 1.00 0.00 O ATOM 0 H GLU A 31 59.028 -8.415 13.183 1.00 0.00 H new ATOM 0 HA GLU A 31 57.787 -7.692 10.686 1.00 0.00 H new ATOM 0 HB2 GLU A 31 60.151 -6.584 12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 31 59.526 -5.823 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 31 57.283 -5.591 11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.827 -6.454 13.284 1.00 0.00 H new ATOM 507 N LEU A 32 60.823 -8.971 10.625 1.00 0.00 N ATOM 508 CA LEU A 32 61.851 -9.547 9.707 1.00 0.00 C ATOM 509 C LEU A 32 61.216 -10.659 8.860 1.00 0.00 C ATOM 510 O LEU A 32 61.407 -10.728 7.661 1.00 0.00 O ATOM 511 CB LEU A 32 63.013 -10.115 10.548 1.00 0.00 C ATOM 512 CG LEU A 32 64.338 -10.089 9.756 1.00 0.00 C ATOM 513 CD1 LEU A 32 64.160 -10.783 8.402 1.00 0.00 C ATOM 514 CD2 LEU A 32 64.816 -8.637 9.540 1.00 0.00 C ATOM 0 H LEU A 32 61.024 -9.079 11.619 1.00 0.00 H new ATOM 0 HA LEU A 32 62.233 -8.773 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 32 63.122 -9.533 11.463 1.00 0.00 H new ATOM 0 HB3 LEU A 32 62.784 -11.138 10.846 1.00 0.00 H new ATOM 0 HG LEU A 32 65.092 -10.623 10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 32 65.102 -10.758 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 32 63.860 -11.819 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 32 63.391 -10.267 7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 32 65.751 -8.641 8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 32 64.061 -8.085 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 32 64.974 -8.158 10.506 1.00 0.00 H new ATOM 526 N LYS A 33 60.461 -11.530 9.470 1.00 0.00 N ATOM 527 CA LYS A 33 59.819 -12.632 8.697 1.00 0.00 C ATOM 528 C LYS A 33 58.904 -12.037 7.625 1.00 0.00 C ATOM 529 O LYS A 33 58.847 -12.514 6.509 1.00 0.00 O ATOM 530 CB LYS A 33 58.997 -13.509 9.644 1.00 0.00 C ATOM 531 CG LYS A 33 58.338 -14.643 8.854 1.00 0.00 C ATOM 532 CD LYS A 33 57.725 -15.664 9.820 1.00 0.00 C ATOM 533 CE LYS A 33 56.527 -15.047 10.549 1.00 0.00 C ATOM 534 NZ LYS A 33 55.725 -16.130 11.189 1.00 0.00 N ATOM 0 H LYS A 33 60.260 -11.527 10.470 1.00 0.00 H new ATOM 0 HA LYS A 33 60.589 -13.238 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 33 59.639 -13.920 10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.235 -12.909 10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 33 57.566 -14.240 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.076 -15.130 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.409 -16.551 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 33 58.474 -15.987 10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.871 -14.340 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 33 55.909 -14.488 9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 54.911 -15.713 11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 55.386 -16.788 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 56.318 -16.645 11.871 1.00 0.00 H new ATOM 548 N GLU A 34 58.193 -10.992 7.954 1.00 0.00 N ATOM 549 CA GLU A 34 57.290 -10.366 6.948 1.00 0.00 C ATOM 550 C GLU A 34 58.116 -9.868 5.761 1.00 0.00 C ATOM 551 O GLU A 34 57.741 -10.027 4.616 1.00 0.00 O ATOM 552 CB GLU A 34 56.552 -9.189 7.589 1.00 0.00 C ATOM 553 CG GLU A 34 55.540 -9.716 8.608 1.00 0.00 C ATOM 554 CD GLU A 34 54.922 -8.542 9.371 1.00 0.00 C ATOM 555 OE1 GLU A 34 55.297 -7.416 9.091 1.00 0.00 O ATOM 556 OE2 GLU A 34 54.086 -8.789 10.225 1.00 0.00 O ATOM 0 H GLU A 34 58.199 -10.547 8.872 1.00 0.00 H new ATOM 0 HA GLU A 34 56.565 -11.102 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 34 57.263 -8.523 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 34 56.042 -8.605 6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 34 54.760 -10.284 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 34 56.030 -10.397 9.303 1.00 0.00 H new ATOM 563 N LEU A 35 59.227 -9.246 6.031 1.00 0.00 N ATOM 564 CA LEU A 35 60.073 -8.707 4.928 1.00 0.00 C ATOM 565 C LEU A 35 60.497 -9.855 4.002 1.00 0.00 C ATOM 566 O LEU A 35 60.377 -9.769 2.796 1.00 0.00 O ATOM 567 CB LEU A 35 61.318 -8.042 5.548 1.00 0.00 C ATOM 568 CG LEU A 35 61.919 -6.977 4.607 1.00 0.00 C ATOM 569 CD1 LEU A 35 62.234 -7.590 3.238 1.00 0.00 C ATOM 570 CD2 LEU A 35 60.946 -5.790 4.439 1.00 0.00 C ATOM 0 H LEU A 35 59.589 -9.086 6.971 1.00 0.00 H new ATOM 0 HA LEU A 35 59.515 -7.974 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 35 61.050 -7.580 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 35 62.068 -8.803 5.764 1.00 0.00 H new ATOM 0 HG LEU A 35 62.844 -6.612 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.657 -6.826 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 35 62.951 -8.402 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.318 -7.979 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 35 61.387 -5.049 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 35 60.007 -6.146 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.756 -5.335 5.411 1.00 0.00 H new ATOM 582 N ILE A 36 60.987 -10.928 4.550 1.00 0.00 N ATOM 583 CA ILE A 36 61.417 -12.069 3.692 1.00 0.00 C ATOM 584 C ILE A 36 60.202 -12.702 3.003 1.00 0.00 C ATOM 585 O ILE A 36 60.259 -13.090 1.852 1.00 0.00 O ATOM 586 CB ILE A 36 62.116 -13.113 4.566 1.00 0.00 C ATOM 587 CG1 ILE A 36 63.401 -12.508 5.135 1.00 0.00 C ATOM 588 CG2 ILE A 36 62.467 -14.349 3.732 1.00 0.00 C ATOM 589 CD1 ILE A 36 63.977 -13.440 6.200 1.00 0.00 C ATOM 0 H ILE A 36 61.109 -11.067 5.553 1.00 0.00 H new ATOM 0 HA ILE A 36 62.103 -11.707 2.926 1.00 0.00 H new ATOM 0 HB ILE A 36 61.449 -13.408 5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.128 -12.357 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.194 -11.529 5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.964 -15.085 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.555 -14.781 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.132 -14.062 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.892 -13.008 6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 36 63.251 -13.568 7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 36 64.200 -14.409 5.754 1.00 0.00 H new ATOM 601 N ASN A 37 59.114 -12.829 3.707 1.00 0.00 N ATOM 602 CA ASN A 37 57.897 -13.463 3.117 1.00 0.00 C ATOM 603 C ASN A 37 57.182 -12.519 2.142 1.00 0.00 C ATOM 604 O ASN A 37 56.391 -12.952 1.328 1.00 0.00 O ATOM 605 CB ASN A 37 56.931 -13.814 4.246 1.00 0.00 C ATOM 606 CG ASN A 37 57.496 -14.969 5.077 1.00 0.00 C ATOM 607 OD1 ASN A 37 56.952 -15.308 6.109 1.00 0.00 O ATOM 608 ND2 ASN A 37 58.570 -15.591 4.673 1.00 0.00 N ATOM 0 H ASN A 37 59.012 -12.519 4.673 1.00 0.00 H new ATOM 0 HA ASN A 37 58.209 -14.352 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 37 56.769 -12.943 4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.961 -14.092 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 37 58.951 -16.360 5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 37 59.028 -15.308 3.807 1.00 0.00 H new ATOM 615 N ASN A 38 57.408 -11.240 2.237 1.00 0.00 N ATOM 616 CA ASN A 38 56.686 -10.295 1.332 1.00 0.00 C ATOM 617 C ASN A 38 56.993 -10.570 -0.143 1.00 0.00 C ATOM 618 O ASN A 38 56.104 -10.876 -0.913 1.00 0.00 O ATOM 619 CB ASN A 38 57.097 -8.860 1.663 1.00 0.00 C ATOM 620 CG ASN A 38 56.284 -7.893 0.801 1.00 0.00 C ATOM 621 OD1 ASN A 38 56.840 -7.116 0.050 1.00 0.00 O ATOM 622 ND2 ASN A 38 54.981 -7.907 0.877 1.00 0.00 N ATOM 0 H ASN A 38 58.056 -10.807 2.896 1.00 0.00 H new ATOM 0 HA ASN A 38 55.617 -10.437 1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 38 56.927 -8.655 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 38 58.163 -8.722 1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 38 54.430 -7.266 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 38 54.514 -8.559 1.507 1.00 0.00 H new ATOM 629 N GLU A 39 58.230 -10.454 -0.563 1.00 0.00 N ATOM 630 CA GLU A 39 58.551 -10.699 -2.009 1.00 0.00 C ATOM 631 C GLU A 39 59.930 -11.342 -2.148 1.00 0.00 C ATOM 632 O GLU A 39 60.278 -11.852 -3.196 1.00 0.00 O ATOM 633 CB GLU A 39 58.544 -9.368 -2.778 1.00 0.00 C ATOM 634 CG GLU A 39 57.114 -8.820 -2.892 1.00 0.00 C ATOM 635 CD GLU A 39 56.254 -9.771 -3.728 1.00 0.00 C ATOM 636 OE1 GLU A 39 56.820 -10.527 -4.500 1.00 0.00 O ATOM 637 OE2 GLU A 39 55.043 -9.728 -3.580 1.00 0.00 O ATOM 0 H GLU A 39 59.025 -10.203 0.024 1.00 0.00 H new ATOM 0 HA GLU A 39 57.796 -11.370 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 39 59.178 -8.643 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 39 58.964 -9.514 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 39 56.681 -8.703 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 39 57.130 -7.832 -3.352 1.00 0.00 H new ATOM 644 N LEU A 40 60.730 -11.324 -1.119 1.00 0.00 N ATOM 645 CA LEU A 40 62.083 -11.938 -1.233 1.00 0.00 C ATOM 646 C LEU A 40 61.966 -13.449 -1.023 1.00 0.00 C ATOM 647 O LEU A 40 61.677 -13.922 0.059 1.00 0.00 O ATOM 648 CB LEU A 40 63.010 -11.332 -0.175 1.00 0.00 C ATOM 649 CG LEU A 40 63.515 -9.950 -0.629 1.00 0.00 C ATOM 650 CD1 LEU A 40 64.515 -10.085 -1.796 1.00 0.00 C ATOM 651 CD2 LEU A 40 62.322 -9.087 -1.061 1.00 0.00 C ATOM 0 H LEU A 40 60.509 -10.915 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 40 62.497 -11.741 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.479 -11.239 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 63.857 -11.996 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 40 64.029 -9.475 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 40 64.857 -9.095 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 40 65.369 -10.682 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 40 64.026 -10.573 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 40 62.678 -8.108 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.801 -9.573 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.638 -8.966 -0.221 1.00 0.00 H new ATOM 663 N SER A 41 62.189 -14.205 -2.061 1.00 0.00 N ATOM 664 CA SER A 41 62.099 -15.690 -1.960 1.00 0.00 C ATOM 665 C SER A 41 62.952 -16.310 -3.069 1.00 0.00 C ATOM 666 O SER A 41 63.575 -17.339 -2.894 1.00 0.00 O ATOM 667 CB SER A 41 60.639 -16.121 -2.120 1.00 0.00 C ATOM 668 OG SER A 41 60.475 -17.428 -1.585 1.00 0.00 O ATOM 0 H SER A 41 62.433 -13.854 -2.987 1.00 0.00 H new ATOM 0 HA SER A 41 62.463 -16.025 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 41 59.982 -15.420 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 41 60.357 -16.108 -3.173 1.00 0.00 H new ATOM 0 HG SER A 41 59.541 -17.707 -1.684 1.00 0.00 H new ATOM 674 N HIS A 42 62.988 -15.676 -4.209 1.00 0.00 N ATOM 675 CA HIS A 42 63.802 -16.195 -5.343 1.00 0.00 C ATOM 676 C HIS A 42 65.285 -16.149 -4.964 1.00 0.00 C ATOM 677 O HIS A 42 66.056 -17.019 -5.321 1.00 0.00 O ATOM 678 CB HIS A 42 63.563 -15.323 -6.576 1.00 0.00 C ATOM 679 CG HIS A 42 62.167 -15.551 -7.088 1.00 0.00 C ATOM 680 ND1 HIS A 42 61.086 -14.807 -6.636 1.00 0.00 N ATOM 681 CD2 HIS A 42 61.658 -16.432 -8.011 1.00 0.00 C ATOM 682 CE1 HIS A 42 59.991 -15.251 -7.281 1.00 0.00 C ATOM 683 NE2 HIS A 42 60.286 -16.239 -8.128 1.00 0.00 N ATOM 0 H HIS A 42 62.483 -14.812 -4.404 1.00 0.00 H new ATOM 0 HA HIS A 42 63.514 -17.223 -5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 42 63.702 -14.272 -6.324 1.00 0.00 H new ATOM 0 HB3 HIS A 42 64.290 -15.564 -7.351 1.00 0.00 H new ATOM 0 HD2 HIS A 42 62.234 -17.162 -8.561 1.00 0.00 H new ATOM 0 HE1 HIS A 42 58.997 -14.856 -7.131 1.00 0.00 H new ATOM 0 HE2 HIS A 42 59.641 -16.746 -8.734 1.00 0.00 H new ATOM 692 N PHE A 43 65.693 -15.127 -4.254 1.00 0.00 N ATOM 693 CA PHE A 43 67.129 -15.000 -3.857 1.00 0.00 C ATOM 694 C PHE A 43 67.314 -15.488 -2.416 1.00 0.00 C ATOM 695 O PHE A 43 68.414 -15.519 -1.901 1.00 0.00 O ATOM 696 CB PHE A 43 67.534 -13.525 -3.922 1.00 0.00 C ATOM 697 CG PHE A 43 67.479 -13.024 -5.347 1.00 0.00 C ATOM 698 CD1 PHE A 43 66.297 -12.468 -5.849 1.00 0.00 C ATOM 699 CD2 PHE A 43 68.618 -13.093 -6.160 1.00 0.00 C ATOM 700 CE1 PHE A 43 66.252 -11.983 -7.161 1.00 0.00 C ATOM 701 CE2 PHE A 43 68.572 -12.610 -7.474 1.00 0.00 C ATOM 702 CZ PHE A 43 67.390 -12.053 -7.974 1.00 0.00 C ATOM 0 H PHE A 43 65.090 -14.371 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 43 67.742 -15.597 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 43 66.869 -12.931 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 43 68.541 -13.400 -3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 43 65.418 -12.413 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 43 69.532 -13.519 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 43 65.339 -11.554 -7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 43 69.449 -12.668 -8.101 1.00 0.00 H new ATOM 0 HZ PHE A 43 67.355 -11.677 -8.986 1.00 0.00 H new ATOM 712 N LEU A 44 66.243 -15.867 -1.762 1.00 0.00 N ATOM 713 CA LEU A 44 66.333 -16.355 -0.345 1.00 0.00 C ATOM 714 C LEU A 44 65.960 -17.841 -0.296 1.00 0.00 C ATOM 715 O LEU A 44 65.046 -18.282 -0.964 1.00 0.00 O ATOM 716 CB LEU A 44 65.345 -15.557 0.531 1.00 0.00 C ATOM 717 CG LEU A 44 65.982 -14.245 1.030 1.00 0.00 C ATOM 718 CD1 LEU A 44 67.022 -14.525 2.132 1.00 0.00 C ATOM 719 CD2 LEU A 44 66.649 -13.508 -0.141 1.00 0.00 C ATOM 0 H LEU A 44 65.300 -15.860 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 44 67.349 -16.218 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 44 64.445 -15.333 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 65.038 -16.163 1.383 1.00 0.00 H new ATOM 0 HG LEU A 44 65.194 -13.619 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 44 67.458 -13.584 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 44 66.537 -15.021 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 44 67.808 -15.168 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 44 67.097 -12.582 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 44 67.423 -14.140 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 44 65.901 -13.278 -0.900 1.00 0.00 H new ATOM 731 N GLU A 45 66.647 -18.614 0.502 1.00 0.00 N ATOM 732 CA GLU A 45 66.306 -20.061 0.597 1.00 0.00 C ATOM 733 C GLU A 45 64.995 -20.203 1.369 1.00 0.00 C ATOM 734 O GLU A 45 64.679 -19.399 2.222 1.00 0.00 O ATOM 735 CB GLU A 45 67.422 -20.822 1.326 1.00 0.00 C ATOM 736 CG GLU A 45 67.606 -20.268 2.742 1.00 0.00 C ATOM 737 CD GLU A 45 68.721 -21.042 3.449 1.00 0.00 C ATOM 738 OE1 GLU A 45 69.050 -22.121 2.985 1.00 0.00 O ATOM 739 OE2 GLU A 45 69.224 -20.544 4.442 1.00 0.00 O ATOM 0 H GLU A 45 67.424 -18.308 1.088 1.00 0.00 H new ATOM 0 HA GLU A 45 66.199 -20.479 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 45 67.178 -21.883 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 45 68.355 -20.734 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 45 67.854 -19.207 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 45 66.675 -20.356 3.303 1.00 0.00 H new ATOM 746 N GLU A 46 64.225 -21.212 1.077 1.00 0.00 N ATOM 747 CA GLU A 46 62.933 -21.387 1.796 1.00 0.00 C ATOM 748 C GLU A 46 63.201 -21.633 3.282 1.00 0.00 C ATOM 749 O GLU A 46 64.097 -22.367 3.648 1.00 0.00 O ATOM 750 CB GLU A 46 62.195 -22.595 1.217 1.00 0.00 C ATOM 751 CG GLU A 46 61.729 -22.280 -0.205 1.00 0.00 C ATOM 752 CD GLU A 46 61.012 -23.500 -0.784 1.00 0.00 C ATOM 753 OE1 GLU A 46 61.039 -24.538 -0.144 1.00 0.00 O ATOM 754 OE2 GLU A 46 60.447 -23.376 -1.858 1.00 0.00 O ATOM 0 H GLU A 46 64.433 -21.921 0.374 1.00 0.00 H new ATOM 0 HA GLU A 46 62.328 -20.488 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 46 62.851 -23.466 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 46 61.339 -22.845 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 46 61.060 -21.420 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 46 62.582 -22.015 -0.829 1.00 0.00 H new ATOM 761 N ILE A 47 62.417 -21.030 4.141 1.00 0.00 N ATOM 762 CA ILE A 47 62.596 -21.224 5.614 1.00 0.00 C ATOM 763 C ILE A 47 61.453 -22.098 6.135 1.00 0.00 C ATOM 764 O ILE A 47 60.295 -21.748 6.020 1.00 0.00 O ATOM 765 CB ILE A 47 62.562 -19.860 6.313 1.00 0.00 C ATOM 766 CG1 ILE A 47 63.806 -19.056 5.917 1.00 0.00 C ATOM 767 CG2 ILE A 47 62.550 -20.061 7.829 1.00 0.00 C ATOM 768 CD1 ILE A 47 63.663 -17.603 6.388 1.00 0.00 C ATOM 0 H ILE A 47 61.653 -20.406 3.882 1.00 0.00 H new ATOM 0 HA ILE A 47 63.552 -21.706 5.816 1.00 0.00 H new ATOM 0 HB ILE A 47 61.664 -19.320 6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 47 64.695 -19.505 6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.939 -19.085 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.526 -19.090 8.325 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.668 -20.635 8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 47 63.447 -20.601 8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.551 -17.039 6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 47 62.784 -17.155 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.552 -17.581 7.472 1.00 0.00 H new ATOM 780 N LYS A 48 61.768 -23.235 6.705 1.00 0.00 N ATOM 781 CA LYS A 48 60.699 -24.143 7.233 1.00 0.00 C ATOM 782 C LYS A 48 60.647 -24.045 8.761 1.00 0.00 C ATOM 783 O LYS A 48 59.607 -24.221 9.362 1.00 0.00 O ATOM 784 CB LYS A 48 61.024 -25.585 6.826 1.00 0.00 C ATOM 785 CG LYS A 48 59.855 -26.500 7.198 1.00 0.00 C ATOM 786 CD LYS A 48 60.223 -27.960 6.903 1.00 0.00 C ATOM 787 CE LYS A 48 60.377 -28.180 5.393 1.00 0.00 C ATOM 788 NZ LYS A 48 60.213 -29.630 5.088 1.00 0.00 N ATOM 0 H LYS A 48 62.722 -23.576 6.828 1.00 0.00 H new ATOM 0 HA LYS A 48 59.733 -23.850 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 48 61.213 -25.637 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 48 61.933 -25.918 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 48 59.612 -26.383 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 48 58.967 -26.218 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 48 61.153 -28.217 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 48 59.452 -28.622 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 48 59.633 -27.596 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 48 61.356 -27.835 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 60.317 -29.783 4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 60.939 -30.176 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 59.269 -29.944 5.391 1.00 0.00 H new ATOM 802 N GLU A 49 61.765 -23.767 9.391 1.00 0.00 N ATOM 803 CA GLU A 49 61.798 -23.657 10.889 1.00 0.00 C ATOM 804 C GLU A 49 62.280 -22.262 11.297 1.00 0.00 C ATOM 805 O GLU A 49 63.221 -21.734 10.740 1.00 0.00 O ATOM 806 CB GLU A 49 62.772 -24.694 11.450 1.00 0.00 C ATOM 807 CG GLU A 49 62.212 -26.100 11.233 1.00 0.00 C ATOM 808 CD GLU A 49 63.193 -27.130 11.797 1.00 0.00 C ATOM 809 OE1 GLU A 49 64.297 -26.739 12.140 1.00 0.00 O ATOM 810 OE2 GLU A 49 62.824 -28.290 11.876 1.00 0.00 O ATOM 0 H GLU A 49 62.662 -23.610 8.931 1.00 0.00 H new ATOM 0 HA GLU A 49 60.796 -23.829 11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 49 63.741 -24.599 10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 49 62.934 -24.517 12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 49 61.243 -26.197 11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 49 62.051 -26.279 10.170 1.00 0.00 H new ATOM 817 N GLN A 50 61.657 -21.668 12.280 1.00 0.00 N ATOM 818 CA GLN A 50 62.101 -20.320 12.736 1.00 0.00 C ATOM 819 C GLN A 50 63.548 -20.418 13.231 1.00 0.00 C ATOM 820 O GLN A 50 64.330 -19.504 13.079 1.00 0.00 O ATOM 821 CB GLN A 50 61.195 -19.818 13.865 1.00 0.00 C ATOM 822 CG GLN A 50 61.634 -18.411 14.285 1.00 0.00 C ATOM 823 CD GLN A 50 60.716 -17.893 15.395 1.00 0.00 C ATOM 824 OE1 GLN A 50 61.073 -16.987 16.121 1.00 0.00 O ATOM 825 NE2 GLN A 50 59.537 -18.427 15.553 1.00 0.00 N ATOM 0 H GLN A 50 60.861 -22.058 12.786 1.00 0.00 H new ATOM 0 HA GLN A 50 62.040 -19.615 11.907 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.157 -19.803 13.533 1.00 0.00 H new ATOM 0 HB3 GLN A 50 61.247 -20.496 14.717 1.00 0.00 H new ATOM 0 HG2 GLN A 50 62.667 -18.431 14.634 1.00 0.00 H new ATOM 0 HG3 GLN A 50 61.600 -17.738 13.428 1.00 0.00 H new ATOM 0 HE21 GLN A 50 59.236 -19.188 14.944 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.916 -18.084 16.286 1.00 0.00 H new ATOM 834 N GLU A 51 63.905 -21.528 13.823 1.00 0.00 N ATOM 835 CA GLU A 51 65.306 -21.693 14.328 1.00 0.00 C ATOM 836 C GLU A 51 66.281 -21.217 13.247 1.00 0.00 C ATOM 837 O GLU A 51 67.351 -20.715 13.531 1.00 0.00 O ATOM 838 CB GLU A 51 65.580 -23.165 14.647 1.00 0.00 C ATOM 839 CG GLU A 51 64.809 -23.574 15.904 1.00 0.00 C ATOM 840 CD GLU A 51 65.090 -25.045 16.213 1.00 0.00 C ATOM 841 OE1 GLU A 51 65.690 -25.702 15.378 1.00 0.00 O ATOM 842 OE2 GLU A 51 64.706 -25.489 17.282 1.00 0.00 O ATOM 0 H GLU A 51 63.291 -22.327 13.980 1.00 0.00 H new ATOM 0 HA GLU A 51 65.436 -21.105 15.236 1.00 0.00 H new ATOM 0 HB2 GLU A 51 65.281 -23.791 13.806 1.00 0.00 H new ATOM 0 HB3 GLU A 51 66.648 -23.322 14.797 1.00 0.00 H new ATOM 0 HG2 GLU A 51 65.107 -22.950 16.747 1.00 0.00 H new ATOM 0 HG3 GLU A 51 63.740 -23.419 15.755 1.00 0.00 H new ATOM 849 N VAL A 52 65.896 -21.346 12.008 1.00 0.00 N ATOM 850 CA VAL A 52 66.764 -20.880 10.891 1.00 0.00 C ATOM 851 C VAL A 52 66.811 -19.348 10.907 1.00 0.00 C ATOM 852 O VAL A 52 67.816 -18.740 10.601 1.00 0.00 O ATOM 853 CB VAL A 52 66.191 -21.374 9.558 1.00 0.00 C ATOM 854 CG1 VAL A 52 66.924 -20.701 8.390 1.00 0.00 C ATOM 855 CG2 VAL A 52 66.372 -22.892 9.465 1.00 0.00 C ATOM 0 H VAL A 52 65.009 -21.758 11.719 1.00 0.00 H new ATOM 0 HA VAL A 52 67.772 -21.277 11.010 1.00 0.00 H new ATOM 0 HB VAL A 52 65.132 -21.123 9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 52 66.510 -21.058 7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 52 66.798 -19.620 8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 52 67.985 -20.946 8.437 1.00 0.00 H new ATOM 0 HG21 VAL A 52 65.966 -23.250 8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 52 67.433 -23.136 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 52 65.846 -23.372 10.290 1.00 0.00 H new ATOM 865 N VAL A 53 65.725 -18.725 11.281 1.00 0.00 N ATOM 866 CA VAL A 53 65.701 -17.235 11.337 1.00 0.00 C ATOM 867 C VAL A 53 66.681 -16.765 12.416 1.00 0.00 C ATOM 868 O VAL A 53 67.442 -15.841 12.218 1.00 0.00 O ATOM 869 CB VAL A 53 64.285 -16.744 11.678 1.00 0.00 C ATOM 870 CG1 VAL A 53 64.308 -15.242 11.981 1.00 0.00 C ATOM 871 CG2 VAL A 53 63.354 -17.003 10.491 1.00 0.00 C ATOM 0 H VAL A 53 64.854 -19.183 11.550 1.00 0.00 H new ATOM 0 HA VAL A 53 65.990 -16.828 10.368 1.00 0.00 H new ATOM 0 HB VAL A 53 63.925 -17.283 12.555 1.00 0.00 H new ATOM 0 HG11 VAL A 53 63.300 -14.904 12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.966 -15.052 12.829 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.674 -14.700 11.109 1.00 0.00 H new ATOM 0 HG21 VAL A 53 62.350 -16.655 10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 53 63.723 -16.468 9.616 1.00 0.00 H new ATOM 0 HG23 VAL A 53 63.326 -18.071 10.277 1.00 0.00 H new ATOM 881 N ASP A 54 66.656 -17.390 13.561 1.00 0.00 N ATOM 882 CA ASP A 54 67.574 -16.967 14.657 1.00 0.00 C ATOM 883 C ASP A 54 69.025 -17.101 14.200 1.00 0.00 C ATOM 884 O ASP A 54 69.851 -16.251 14.469 1.00 0.00 O ATOM 885 CB ASP A 54 67.348 -17.850 15.888 1.00 0.00 C ATOM 886 CG ASP A 54 65.987 -17.531 16.507 1.00 0.00 C ATOM 887 OD1 ASP A 54 65.433 -16.497 16.171 1.00 0.00 O ATOM 888 OD2 ASP A 54 65.525 -18.322 17.313 1.00 0.00 O ATOM 0 H ASP A 54 66.042 -18.173 13.785 1.00 0.00 H new ATOM 0 HA ASP A 54 67.369 -15.927 14.910 1.00 0.00 H new ATOM 0 HB2 ASP A 54 67.393 -18.902 15.606 1.00 0.00 H new ATOM 0 HB3 ASP A 54 68.139 -17.682 16.619 1.00 0.00 H new ATOM 893 N LYS A 55 69.343 -18.154 13.505 1.00 0.00 N ATOM 894 CA LYS A 55 70.742 -18.322 13.029 1.00 0.00 C ATOM 895 C LYS A 55 71.097 -17.159 12.108 1.00 0.00 C ATOM 896 O LYS A 55 72.137 -16.544 12.234 1.00 0.00 O ATOM 897 CB LYS A 55 70.878 -19.637 12.260 1.00 0.00 C ATOM 898 CG LYS A 55 72.344 -19.853 11.874 1.00 0.00 C ATOM 899 CD LYS A 55 72.484 -21.167 11.105 1.00 0.00 C ATOM 900 CE LYS A 55 73.950 -21.379 10.724 1.00 0.00 C ATOM 901 NZ LYS A 55 74.101 -22.702 10.055 1.00 0.00 N ATOM 0 H LYS A 55 68.699 -18.902 13.247 1.00 0.00 H new ATOM 0 HA LYS A 55 71.416 -18.339 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 55 70.526 -20.467 12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 55 70.255 -19.614 11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 55 72.695 -19.022 11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 55 72.967 -19.875 12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 55 72.132 -21.998 11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 55 71.864 -21.145 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.283 -20.583 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.578 -21.335 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.097 -22.848 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.799 -23.456 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 73.513 -22.727 9.198 1.00 0.00 H new ATOM 915 N VAL A 56 70.238 -16.861 11.174 1.00 0.00 N ATOM 916 CA VAL A 56 70.516 -15.748 10.225 1.00 0.00 C ATOM 917 C VAL A 56 70.547 -14.420 10.984 1.00 0.00 C ATOM 918 O VAL A 56 71.376 -13.569 10.730 1.00 0.00 O ATOM 919 CB VAL A 56 69.415 -15.714 9.156 1.00 0.00 C ATOM 920 CG1 VAL A 56 69.533 -14.439 8.314 1.00 0.00 C ATOM 921 CG2 VAL A 56 69.555 -16.940 8.249 1.00 0.00 C ATOM 0 H VAL A 56 69.351 -17.343 11.027 1.00 0.00 H new ATOM 0 HA VAL A 56 71.483 -15.904 9.747 1.00 0.00 H new ATOM 0 HB VAL A 56 68.441 -15.724 9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 56 68.746 -14.427 7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 56 69.430 -13.566 8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 56 70.506 -14.415 7.824 1.00 0.00 H new ATOM 0 HG21 VAL A 56 68.775 -16.920 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 56 70.533 -16.926 7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 56 69.457 -17.847 8.846 1.00 0.00 H new ATOM 931 N MET A 57 69.649 -14.230 11.910 1.00 0.00 N ATOM 932 CA MET A 57 69.641 -12.950 12.671 1.00 0.00 C ATOM 933 C MET A 57 70.876 -12.868 13.566 1.00 0.00 C ATOM 934 O MET A 57 71.487 -11.825 13.700 1.00 0.00 O ATOM 935 CB MET A 57 68.374 -12.856 13.522 1.00 0.00 C ATOM 936 CG MET A 57 67.166 -12.658 12.601 1.00 0.00 C ATOM 937 SD MET A 57 65.691 -12.331 13.595 1.00 0.00 S ATOM 938 CE MET A 57 65.936 -10.548 13.809 1.00 0.00 C ATOM 0 H MET A 57 68.926 -14.900 12.171 1.00 0.00 H new ATOM 0 HA MET A 57 69.657 -12.119 11.966 1.00 0.00 H new ATOM 0 HB2 MET A 57 68.251 -13.763 14.114 1.00 0.00 H new ATOM 0 HB3 MET A 57 68.453 -12.025 14.223 1.00 0.00 H new ATOM 0 HG2 MET A 57 67.348 -11.828 11.919 1.00 0.00 H new ATOM 0 HG3 MET A 57 67.014 -13.546 11.988 1.00 0.00 H new ATOM 0 HE1 MET A 57 65.062 -10.117 14.297 1.00 0.00 H new ATOM 0 HE2 MET A 57 66.818 -10.373 14.425 1.00 0.00 H new ATOM 0 HE3 MET A 57 66.075 -10.080 12.834 1.00 0.00 H new ATOM 948 N GLU A 58 71.255 -13.953 14.176 1.00 0.00 N ATOM 949 CA GLU A 58 72.457 -13.923 15.054 1.00 0.00 C ATOM 950 C GLU A 58 73.676 -13.513 14.228 1.00 0.00 C ATOM 951 O GLU A 58 74.422 -12.628 14.596 1.00 0.00 O ATOM 952 CB GLU A 58 72.686 -15.307 15.666 1.00 0.00 C ATOM 953 CG GLU A 58 73.913 -15.264 16.582 1.00 0.00 C ATOM 954 CD GLU A 58 74.083 -16.617 17.273 1.00 0.00 C ATOM 955 OE1 GLU A 58 73.254 -17.483 17.048 1.00 0.00 O ATOM 956 OE2 GLU A 58 75.041 -16.765 18.013 1.00 0.00 O ATOM 0 H GLU A 58 70.787 -14.857 14.106 1.00 0.00 H new ATOM 0 HA GLU A 58 72.303 -13.202 15.857 1.00 0.00 H new ATOM 0 HB2 GLU A 58 71.807 -15.616 16.232 1.00 0.00 H new ATOM 0 HB3 GLU A 58 72.833 -16.045 14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 58 74.805 -15.026 16.002 1.00 0.00 H new ATOM 0 HG3 GLU A 58 73.797 -14.476 17.326 1.00 0.00 H new ATOM 963 N THR A 59 73.879 -14.153 13.112 1.00 0.00 N ATOM 964 CA THR A 59 75.045 -13.806 12.252 1.00 0.00 C ATOM 965 C THR A 59 74.831 -12.429 11.630 1.00 0.00 C ATOM 966 O THR A 59 75.738 -11.629 11.534 1.00 0.00 O ATOM 967 CB THR A 59 75.186 -14.852 11.138 1.00 0.00 C ATOM 968 OG1 THR A 59 75.387 -16.133 11.718 1.00 0.00 O ATOM 969 CG2 THR A 59 76.372 -14.499 10.232 1.00 0.00 C ATOM 0 H THR A 59 73.287 -14.904 12.757 1.00 0.00 H new ATOM 0 HA THR A 59 75.951 -13.793 12.858 1.00 0.00 H new ATOM 0 HB THR A 59 74.276 -14.863 10.537 1.00 0.00 H new ATOM 0 HG1 THR A 59 75.476 -16.803 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.464 -15.247 9.445 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.208 -13.519 9.784 1.00 0.00 H new ATOM 0 HG23 THR A 59 77.288 -14.480 10.823 1.00 0.00 H new ATOM 977 N LEU A 60 73.629 -12.147 11.220 1.00 0.00 N ATOM 978 CA LEU A 60 73.338 -10.819 10.615 1.00 0.00 C ATOM 979 C LEU A 60 73.405 -9.742 11.704 1.00 0.00 C ATOM 980 O LEU A 60 73.883 -8.647 11.484 1.00 0.00 O ATOM 981 CB LEU A 60 71.939 -10.855 9.987 1.00 0.00 C ATOM 982 CG LEU A 60 71.585 -9.510 9.333 1.00 0.00 C ATOM 983 CD1 LEU A 60 72.403 -9.309 8.052 1.00 0.00 C ATOM 984 CD2 LEU A 60 70.093 -9.509 8.989 1.00 0.00 C ATOM 0 H LEU A 60 72.832 -12.781 11.278 1.00 0.00 H new ATOM 0 HA LEU A 60 74.072 -10.586 9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 60 71.894 -11.648 9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 60 71.201 -11.095 10.752 1.00 0.00 H new ATOM 0 HG LEU A 60 71.815 -8.700 10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 60 72.142 -8.352 7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 60 73.466 -9.318 8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 60 72.184 -10.114 7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 60 69.827 -8.560 8.524 1.00 0.00 H new ATOM 0 HD22 LEU A 60 69.878 -10.324 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 60 69.509 -9.642 9.900 1.00 0.00 H new ATOM 996 N ASP A 61 72.900 -10.044 12.873 1.00 0.00 N ATOM 997 CA ASP A 61 72.894 -9.045 13.983 1.00 0.00 C ATOM 998 C ASP A 61 74.295 -8.884 14.578 1.00 0.00 C ATOM 999 O ASP A 61 74.551 -9.269 15.702 1.00 0.00 O ATOM 1000 CB ASP A 61 71.932 -9.518 15.074 1.00 0.00 C ATOM 1001 CG ASP A 61 71.828 -8.455 16.170 1.00 0.00 C ATOM 1002 OD1 ASP A 61 72.722 -7.630 16.255 1.00 0.00 O ATOM 1003 OD2 ASP A 61 70.854 -8.483 16.904 1.00 0.00 O ATOM 0 H ASP A 61 72.488 -10.947 13.107 1.00 0.00 H new ATOM 0 HA ASP A 61 72.573 -8.081 13.587 1.00 0.00 H new ATOM 0 HB2 ASP A 61 70.948 -9.710 14.646 1.00 0.00 H new ATOM 0 HB3 ASP A 61 72.283 -10.458 15.499 1.00 0.00 H new ATOM 1008 N GLU A 62 75.191 -8.289 13.846 1.00 0.00 N ATOM 1009 CA GLU A 62 76.565 -8.065 14.373 1.00 0.00 C ATOM 1010 C GLU A 62 76.490 -6.995 15.463 1.00 0.00 C ATOM 1011 O GLU A 62 77.242 -7.000 16.417 1.00 0.00 O ATOM 1012 CB GLU A 62 77.474 -7.587 13.234 1.00 0.00 C ATOM 1013 CG GLU A 62 78.907 -7.394 13.742 1.00 0.00 C ATOM 1014 CD GLU A 62 79.501 -8.748 14.136 1.00 0.00 C ATOM 1015 OE1 GLU A 62 78.918 -9.757 13.774 1.00 0.00 O ATOM 1016 OE2 GLU A 62 80.531 -8.753 14.791 1.00 0.00 O ATOM 0 H GLU A 62 75.031 -7.946 12.899 1.00 0.00 H new ATOM 0 HA GLU A 62 76.972 -8.988 14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 62 77.464 -8.314 12.422 1.00 0.00 H new ATOM 0 HB3 GLU A 62 77.096 -6.649 12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 62 79.518 -6.929 12.968 1.00 0.00 H new ATOM 0 HG3 GLU A 62 78.912 -6.721 14.599 1.00 0.00 H new ATOM 1023 N ASP A 63 75.587 -6.068 15.305 1.00 0.00 N ATOM 1024 CA ASP A 63 75.442 -4.969 16.298 1.00 0.00 C ATOM 1025 C ASP A 63 75.112 -5.526 17.679 1.00 0.00 C ATOM 1026 O ASP A 63 75.591 -5.035 18.681 1.00 0.00 O ATOM 1027 CB ASP A 63 74.308 -4.043 15.857 1.00 0.00 C ATOM 1028 CG ASP A 63 73.072 -4.878 15.518 1.00 0.00 C ATOM 1029 OD1 ASP A 63 73.183 -5.750 14.672 1.00 0.00 O ATOM 1030 OD2 ASP A 63 72.034 -4.630 16.109 1.00 0.00 O ATOM 0 H ASP A 63 74.936 -6.025 14.521 1.00 0.00 H new ATOM 0 HA ASP A 63 76.384 -4.424 16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 63 74.074 -3.333 16.650 1.00 0.00 H new ATOM 0 HB3 ASP A 63 74.616 -3.461 14.989 1.00 0.00 H new ATOM 1035 N GLY A 64 74.279 -6.525 17.755 1.00 0.00 N ATOM 1036 CA GLY A 64 73.907 -7.072 19.086 1.00 0.00 C ATOM 1037 C GLY A 64 72.697 -6.292 19.587 1.00 0.00 C ATOM 1038 O GLY A 64 72.821 -5.295 20.270 1.00 0.00 O ATOM 0 H GLY A 64 73.842 -6.984 16.956 1.00 0.00 H new ATOM 0 HA2 GLY A 64 73.673 -8.134 19.011 1.00 0.00 H new ATOM 0 HA3 GLY A 64 74.739 -6.977 19.784 1.00 0.00 H new ATOM 1042 N ASP A 65 71.528 -6.749 19.255 1.00 0.00 N ATOM 1043 CA ASP A 65 70.296 -6.052 19.711 1.00 0.00 C ATOM 1044 C ASP A 65 69.069 -6.983 19.627 1.00 0.00 C ATOM 1045 O ASP A 65 68.043 -6.714 20.221 1.00 0.00 O ATOM 1046 CB ASP A 65 70.091 -4.818 18.837 1.00 0.00 C ATOM 1047 CG ASP A 65 69.591 -5.227 17.453 1.00 0.00 C ATOM 1048 OD1 ASP A 65 69.736 -6.389 17.113 1.00 0.00 O ATOM 1049 OD2 ASP A 65 69.076 -4.368 16.756 1.00 0.00 O ATOM 0 H ASP A 65 71.370 -7.580 18.684 1.00 0.00 H new ATOM 0 HA ASP A 65 70.409 -5.757 20.754 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.373 -4.146 19.307 1.00 0.00 H new ATOM 0 HB3 ASP A 65 71.028 -4.269 18.745 1.00 0.00 H new ATOM 1054 N GLY A 66 69.156 -8.071 18.899 1.00 0.00 N ATOM 1055 CA GLY A 66 67.985 -8.993 18.794 1.00 0.00 C ATOM 1056 C GLY A 66 66.995 -8.439 17.770 1.00 0.00 C ATOM 1057 O GLY A 66 65.955 -9.012 17.515 1.00 0.00 O ATOM 0 H GLY A 66 69.984 -8.358 18.376 1.00 0.00 H new ATOM 0 HA2 GLY A 66 68.316 -9.987 18.495 1.00 0.00 H new ATOM 0 HA3 GLY A 66 67.501 -9.097 19.765 1.00 0.00 H new ATOM 1061 N GLU A 67 67.317 -7.316 17.187 1.00 0.00 N ATOM 1062 CA GLU A 67 66.416 -6.687 16.178 1.00 0.00 C ATOM 1063 C GLU A 67 67.267 -6.112 15.049 1.00 0.00 C ATOM 1064 O GLU A 67 68.465 -5.981 15.179 1.00 0.00 O ATOM 1065 CB GLU A 67 65.628 -5.560 16.846 1.00 0.00 C ATOM 1066 CG GLU A 67 64.737 -6.140 17.943 1.00 0.00 C ATOM 1067 CD GLU A 67 63.953 -5.009 18.605 1.00 0.00 C ATOM 1068 OE1 GLU A 67 64.280 -3.864 18.346 1.00 0.00 O ATOM 1069 OE2 GLU A 67 63.050 -5.305 19.370 1.00 0.00 O ATOM 0 H GLU A 67 68.178 -6.801 17.370 1.00 0.00 H new ATOM 0 HA GLU A 67 65.724 -7.428 15.778 1.00 0.00 H new ATOM 0 HB2 GLU A 67 66.313 -4.825 17.270 1.00 0.00 H new ATOM 0 HB3 GLU A 67 65.020 -5.040 16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 67 64.052 -6.875 17.521 1.00 0.00 H new ATOM 0 HG3 GLU A 67 65.344 -6.660 18.684 1.00 0.00 H new ATOM 1076 N CYS A 68 66.667 -5.760 13.940 1.00 0.00 N ATOM 1077 CA CYS A 68 67.457 -5.179 12.808 1.00 0.00 C ATOM 1078 C CYS A 68 67.225 -3.665 12.766 1.00 0.00 C ATOM 1079 O CYS A 68 66.188 -3.198 12.337 1.00 0.00 O ATOM 1080 CB CYS A 68 66.989 -5.804 11.491 1.00 0.00 C ATOM 1081 SG CYS A 68 67.527 -7.531 11.419 1.00 0.00 S ATOM 0 H CYS A 68 65.666 -5.849 13.768 1.00 0.00 H new ATOM 0 HA CYS A 68 68.518 -5.386 12.950 1.00 0.00 H new ATOM 0 HB2 CYS A 68 65.903 -5.747 11.414 1.00 0.00 H new ATOM 0 HB3 CYS A 68 67.398 -5.249 10.647 1.00 0.00 H new ATOM 0 HG CYS A 68 67.517 -7.937 10.184 1.00 0.00 H new ATOM 1087 N ASP A 69 68.168 -2.894 13.237 1.00 0.00 N ATOM 1088 CA ASP A 69 67.982 -1.415 13.250 1.00 0.00 C ATOM 1089 C ASP A 69 68.033 -0.853 11.825 1.00 0.00 C ATOM 1090 O ASP A 69 68.246 -1.566 10.864 1.00 0.00 O ATOM 1091 CB ASP A 69 69.068 -0.763 14.110 1.00 0.00 C ATOM 1092 CG ASP A 69 70.446 -1.089 13.538 1.00 0.00 C ATOM 1093 OD1 ASP A 69 70.740 -2.262 13.389 1.00 0.00 O ATOM 1094 OD2 ASP A 69 71.182 -0.160 13.259 1.00 0.00 O ATOM 0 H ASP A 69 69.057 -3.224 13.612 1.00 0.00 H new ATOM 0 HA ASP A 69 67.004 -1.190 13.675 1.00 0.00 H new ATOM 0 HB2 ASP A 69 68.922 0.317 14.139 1.00 0.00 H new ATOM 0 HB3 ASP A 69 68.996 -1.122 15.137 1.00 0.00 H new ATOM 1099 N PHE A 70 67.824 0.429 11.697 1.00 0.00 N ATOM 1100 CA PHE A 70 67.845 1.060 10.346 1.00 0.00 C ATOM 1101 C PHE A 70 69.217 0.864 9.693 1.00 0.00 C ATOM 1102 O PHE A 70 69.325 0.464 8.551 1.00 0.00 O ATOM 1103 CB PHE A 70 67.558 2.557 10.473 1.00 0.00 C ATOM 1104 CG PHE A 70 67.577 3.188 9.102 1.00 0.00 C ATOM 1105 CD1 PHE A 70 68.771 3.700 8.578 1.00 0.00 C ATOM 1106 CD2 PHE A 70 66.397 3.262 8.353 1.00 0.00 C ATOM 1107 CE1 PHE A 70 68.784 4.284 7.305 1.00 0.00 C ATOM 1108 CE2 PHE A 70 66.409 3.846 7.081 1.00 0.00 C ATOM 1109 CZ PHE A 70 67.602 4.357 6.556 1.00 0.00 C ATOM 0 H PHE A 70 67.639 1.068 12.471 1.00 0.00 H new ATOM 0 HA PHE A 70 67.081 0.589 9.727 1.00 0.00 H new ATOM 0 HB2 PHE A 70 66.588 2.714 10.944 1.00 0.00 H new ATOM 0 HB3 PHE A 70 68.304 3.029 11.113 1.00 0.00 H new ATOM 0 HD1 PHE A 70 69.682 3.644 9.156 1.00 0.00 H new ATOM 0 HD2 PHE A 70 65.476 2.868 8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 70 69.705 4.678 6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 70 65.498 3.902 6.504 1.00 0.00 H new ATOM 0 HZ PHE A 70 67.611 4.807 5.574 1.00 0.00 H new ATOM 1119 N GLN A 71 70.264 1.181 10.399 1.00 0.00 N ATOM 1120 CA GLN A 71 71.620 1.049 9.796 1.00 0.00 C ATOM 1121 C GLN A 71 71.855 -0.412 9.398 1.00 0.00 C ATOM 1122 O GLN A 71 72.221 -0.702 8.280 1.00 0.00 O ATOM 1123 CB GLN A 71 72.675 1.511 10.801 1.00 0.00 C ATOM 1124 CG GLN A 71 72.551 3.023 10.994 1.00 0.00 C ATOM 1125 CD GLN A 71 73.459 3.471 12.140 1.00 0.00 C ATOM 1126 OE1 GLN A 71 73.693 2.726 13.072 1.00 0.00 O ATOM 1127 NE2 GLN A 71 73.984 4.663 12.111 1.00 0.00 N ATOM 0 H GLN A 71 70.242 1.523 11.360 1.00 0.00 H new ATOM 0 HA GLN A 71 71.694 1.673 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 71 72.538 0.998 11.753 1.00 0.00 H new ATOM 0 HB3 GLN A 71 73.673 1.258 10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 71 72.826 3.541 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 71 71.516 3.288 11.212 1.00 0.00 H new ATOM 0 HE21 GLN A 71 73.788 5.288 11.329 1.00 0.00 H new ATOM 0 HE22 GLN A 71 74.591 4.971 12.870 1.00 0.00 H new ATOM 1136 N GLU A 72 71.646 -1.343 10.288 1.00 0.00 N ATOM 1137 CA GLU A 72 71.862 -2.771 9.907 1.00 0.00 C ATOM 1138 C GLU A 72 70.918 -3.094 8.747 1.00 0.00 C ATOM 1139 O GLU A 72 71.285 -3.743 7.789 1.00 0.00 O ATOM 1140 CB GLU A 72 71.538 -3.669 11.108 1.00 0.00 C ATOM 1141 CG GLU A 72 71.754 -5.139 10.737 1.00 0.00 C ATOM 1142 CD GLU A 72 71.426 -6.018 11.946 1.00 0.00 C ATOM 1143 OE1 GLU A 72 71.243 -5.469 13.020 1.00 0.00 O ATOM 1144 OE2 GLU A 72 71.363 -7.223 11.778 1.00 0.00 O ATOM 0 H GLU A 72 71.340 -1.183 11.248 1.00 0.00 H new ATOM 0 HA GLU A 72 72.897 -2.941 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 72 72.172 -3.402 11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 72 70.506 -3.512 11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 72 71.120 -5.410 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.786 -5.300 10.425 1.00 0.00 H new ATOM 1151 N PHE A 73 69.696 -2.652 8.850 1.00 0.00 N ATOM 1152 CA PHE A 73 68.713 -2.942 7.765 1.00 0.00 C ATOM 1153 C PHE A 73 69.366 -2.622 6.417 1.00 0.00 C ATOM 1154 O PHE A 73 69.222 -3.355 5.461 1.00 0.00 O ATOM 1155 CB PHE A 73 67.445 -2.105 7.925 1.00 0.00 C ATOM 1156 CG PHE A 73 66.506 -2.451 6.794 1.00 0.00 C ATOM 1157 CD1 PHE A 73 65.769 -3.638 6.843 1.00 0.00 C ATOM 1158 CD2 PHE A 73 66.388 -1.600 5.689 1.00 0.00 C ATOM 1159 CE1 PHE A 73 64.909 -3.974 5.792 1.00 0.00 C ATOM 1160 CE2 PHE A 73 65.529 -1.936 4.634 1.00 0.00 C ATOM 1161 CZ PHE A 73 64.789 -3.122 4.687 1.00 0.00 C ATOM 0 H PHE A 73 69.335 -2.106 9.632 1.00 0.00 H new ATOM 0 HA PHE A 73 68.431 -3.994 7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 73 66.974 -2.309 8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 73 67.686 -1.042 7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 73 65.864 -4.297 7.694 1.00 0.00 H new ATOM 0 HD2 PHE A 73 66.959 -0.684 5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 73 64.338 -4.890 5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 73 65.438 -1.280 3.781 1.00 0.00 H new ATOM 0 HZ PHE A 73 64.125 -3.381 3.876 1.00 0.00 H new ATOM 1171 N MET A 74 70.114 -1.555 6.343 1.00 0.00 N ATOM 1172 CA MET A 74 70.803 -1.226 5.061 1.00 0.00 C ATOM 1173 C MET A 74 71.796 -2.347 4.734 1.00 0.00 C ATOM 1174 O MET A 74 72.067 -2.638 3.586 1.00 0.00 O ATOM 1175 CB MET A 74 71.547 0.114 5.184 1.00 0.00 C ATOM 1176 CG MET A 74 70.566 1.278 5.008 1.00 0.00 C ATOM 1177 SD MET A 74 70.310 1.571 3.236 1.00 0.00 S ATOM 1178 CE MET A 74 68.539 1.941 3.291 1.00 0.00 C ATOM 0 H MET A 74 70.278 -0.901 7.108 1.00 0.00 H new ATOM 0 HA MET A 74 70.066 -1.138 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 74 72.033 0.181 6.157 1.00 0.00 H new ATOM 0 HB3 MET A 74 72.333 0.173 4.431 1.00 0.00 H new ATOM 0 HG2 MET A 74 69.617 1.047 5.492 1.00 0.00 H new ATOM 0 HG3 MET A 74 70.958 2.176 5.485 1.00 0.00 H new ATOM 0 HE1 MET A 74 68.224 2.357 2.334 1.00 0.00 H new ATOM 0 HE2 MET A 74 67.982 1.025 3.489 1.00 0.00 H new ATOM 0 HE3 MET A 74 68.343 2.664 4.083 1.00 0.00 H new ATOM 1188 N ALA A 75 72.324 -2.991 5.742 1.00 0.00 N ATOM 1189 CA ALA A 75 73.280 -4.108 5.494 1.00 0.00 C ATOM 1190 C ALA A 75 72.536 -5.231 4.770 1.00 0.00 C ATOM 1191 O ALA A 75 72.933 -5.680 3.713 1.00 0.00 O ATOM 1192 CB ALA A 75 73.831 -4.621 6.830 1.00 0.00 C ATOM 0 H ALA A 75 72.134 -2.791 6.724 1.00 0.00 H new ATOM 0 HA ALA A 75 74.113 -3.761 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 75 74.529 -5.437 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.347 -3.811 7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 75 73.009 -4.980 7.449 1.00 0.00 H new ATOM 1198 N PHE A 76 71.461 -5.690 5.345 1.00 0.00 N ATOM 1199 CA PHE A 76 70.689 -6.793 4.707 1.00 0.00 C ATOM 1200 C PHE A 76 70.304 -6.351 3.299 1.00 0.00 C ATOM 1201 O PHE A 76 70.381 -7.109 2.352 1.00 0.00 O ATOM 1202 CB PHE A 76 69.414 -7.061 5.504 1.00 0.00 C ATOM 1203 CG PHE A 76 68.699 -8.252 4.912 1.00 0.00 C ATOM 1204 CD1 PHE A 76 67.785 -8.078 3.866 1.00 0.00 C ATOM 1205 CD2 PHE A 76 68.952 -9.532 5.415 1.00 0.00 C ATOM 1206 CE1 PHE A 76 67.125 -9.188 3.322 1.00 0.00 C ATOM 1207 CE2 PHE A 76 68.293 -10.641 4.872 1.00 0.00 C ATOM 1208 CZ PHE A 76 67.380 -10.470 3.826 1.00 0.00 C ATOM 0 H PHE A 76 71.083 -5.350 6.229 1.00 0.00 H new ATOM 0 HA PHE A 76 71.293 -7.700 4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 76 69.658 -7.251 6.549 1.00 0.00 H new ATOM 0 HB3 PHE A 76 68.766 -6.185 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 76 67.589 -7.089 3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 76 69.656 -9.665 6.223 1.00 0.00 H new ATOM 0 HE1 PHE A 76 66.420 -9.055 2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 76 68.489 -11.629 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 76 66.872 -11.326 3.407 1.00 0.00 H new ATOM 1218 N VAL A 77 69.925 -5.118 3.153 1.00 0.00 N ATOM 1219 CA VAL A 77 69.575 -4.617 1.801 1.00 0.00 C ATOM 1220 C VAL A 77 70.832 -4.722 0.935 1.00 0.00 C ATOM 1221 O VAL A 77 70.791 -5.178 -0.191 1.00 0.00 O ATOM 1222 CB VAL A 77 69.113 -3.161 1.893 1.00 0.00 C ATOM 1223 CG1 VAL A 77 68.988 -2.562 0.490 1.00 0.00 C ATOM 1224 CG2 VAL A 77 67.751 -3.108 2.589 1.00 0.00 C ATOM 0 H VAL A 77 69.842 -4.437 3.908 1.00 0.00 H new ATOM 0 HA VAL A 77 68.764 -5.202 1.366 1.00 0.00 H new ATOM 0 HB VAL A 77 69.844 -2.587 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 77 68.659 -1.526 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 77 69.956 -2.600 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 77 68.260 -3.133 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 77 67.417 -2.073 2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 77 67.026 -3.686 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 77 67.838 -3.528 3.591 1.00 0.00 H new ATOM 1234 N SER A 78 71.955 -4.307 1.466 1.00 0.00 N ATOM 1235 CA SER A 78 73.225 -4.382 0.691 1.00 0.00 C ATOM 1236 C SER A 78 73.640 -5.843 0.502 1.00 0.00 C ATOM 1237 O SER A 78 74.066 -6.240 -0.562 1.00 0.00 O ATOM 1238 CB SER A 78 74.326 -3.642 1.453 1.00 0.00 C ATOM 1239 OG SER A 78 74.670 -4.381 2.618 1.00 0.00 O ATOM 0 H SER A 78 72.044 -3.919 2.405 1.00 0.00 H new ATOM 0 HA SER A 78 73.074 -3.923 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 78 75.202 -3.515 0.817 1.00 0.00 H new ATOM 0 HB3 SER A 78 73.985 -2.644 1.729 1.00 0.00 H new ATOM 0 HG SER A 78 73.861 -4.775 3.006 1.00 0.00 H new ATOM 1245 N MET A 79 73.557 -6.637 1.534 1.00 0.00 N ATOM 1246 CA MET A 79 73.991 -8.064 1.417 1.00 0.00 C ATOM 1247 C MET A 79 73.202 -8.751 0.305 1.00 0.00 C ATOM 1248 O MET A 79 73.745 -9.513 -0.470 1.00 0.00 O ATOM 1249 CB MET A 79 73.727 -8.786 2.744 1.00 0.00 C ATOM 1250 CG MET A 79 74.687 -8.271 3.824 1.00 0.00 C ATOM 1251 SD MET A 79 76.306 -9.064 3.635 1.00 0.00 S ATOM 1252 CE MET A 79 75.952 -10.562 4.592 1.00 0.00 C ATOM 0 H MET A 79 73.209 -6.363 2.453 1.00 0.00 H new ATOM 0 HA MET A 79 75.055 -8.100 1.183 1.00 0.00 H new ATOM 0 HB2 MET A 79 72.695 -8.624 3.056 1.00 0.00 H new ATOM 0 HB3 MET A 79 73.856 -9.861 2.614 1.00 0.00 H new ATOM 0 HG2 MET A 79 74.791 -7.189 3.745 1.00 0.00 H new ATOM 0 HG3 MET A 79 74.282 -8.481 4.814 1.00 0.00 H new ATOM 0 HE1 MET A 79 76.833 -11.203 4.604 1.00 0.00 H new ATOM 0 HE2 MET A 79 75.689 -10.287 5.614 1.00 0.00 H new ATOM 0 HE3 MET A 79 75.120 -11.098 4.135 1.00 0.00 H new ATOM 1262 N VAL A 80 71.940 -8.472 0.197 1.00 0.00 N ATOM 1263 CA VAL A 80 71.139 -9.093 -0.894 1.00 0.00 C ATOM 1264 C VAL A 80 71.676 -8.575 -2.230 1.00 0.00 C ATOM 1265 O VAL A 80 71.635 -9.247 -3.240 1.00 0.00 O ATOM 1266 CB VAL A 80 69.664 -8.714 -0.739 1.00 0.00 C ATOM 1267 CG1 VAL A 80 68.877 -9.218 -1.952 1.00 0.00 C ATOM 1268 CG2 VAL A 80 69.103 -9.355 0.539 1.00 0.00 C ATOM 0 H VAL A 80 71.425 -7.843 0.813 1.00 0.00 H new ATOM 0 HA VAL A 80 71.220 -10.179 -0.852 1.00 0.00 H new ATOM 0 HB VAL A 80 69.572 -7.630 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 80 67.827 -8.948 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 80 69.275 -8.763 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.968 -10.302 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 80 68.053 -9.086 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 80 69.195 -10.439 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 80 69.663 -8.996 1.402 1.00 0.00 H new ATOM 1278 N THR A 81 72.218 -7.388 -2.214 1.00 0.00 N ATOM 1279 CA THR A 81 72.813 -6.809 -3.453 1.00 0.00 C ATOM 1280 C THR A 81 74.248 -7.332 -3.600 1.00 0.00 C ATOM 1281 O THR A 81 74.677 -7.734 -4.662 1.00 0.00 O ATOM 1282 CB THR A 81 72.831 -5.280 -3.346 1.00 0.00 C ATOM 1283 OG1 THR A 81 71.531 -4.815 -3.015 1.00 0.00 O ATOM 1284 CG2 THR A 81 73.268 -4.677 -4.682 1.00 0.00 C ATOM 0 H THR A 81 72.275 -6.790 -1.390 1.00 0.00 H new ATOM 0 HA THR A 81 72.222 -7.099 -4.322 1.00 0.00 H new ATOM 0 HB THR A 81 73.533 -4.978 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 81 71.360 -4.972 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 81 73.280 -3.590 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 81 74.267 -5.034 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 81 72.569 -4.977 -5.463 1.00 0.00 H new ATOM 1292 N THR A 82 74.985 -7.315 -2.521 1.00 0.00 N ATOM 1293 CA THR A 82 76.399 -7.791 -2.532 1.00 0.00 C ATOM 1294 C THR A 82 76.431 -9.322 -2.636 1.00 0.00 C ATOM 1295 O THR A 82 77.438 -9.910 -2.979 1.00 0.00 O ATOM 1296 CB THR A 82 77.082 -7.343 -1.230 1.00 0.00 C ATOM 1297 OG1 THR A 82 76.657 -6.024 -0.913 1.00 0.00 O ATOM 1298 CG2 THR A 82 78.605 -7.351 -1.398 1.00 0.00 C ATOM 0 H THR A 82 74.659 -6.984 -1.613 1.00 0.00 H new ATOM 0 HA THR A 82 76.925 -7.370 -3.389 1.00 0.00 H new ATOM 0 HB THR A 82 76.809 -8.031 -0.430 1.00 0.00 H new ATOM 0 HG1 THR A 82 75.802 -6.062 -0.436 1.00 0.00 H new ATOM 0 HG21 THR A 82 79.075 -7.032 -0.468 1.00 0.00 H new ATOM 0 HG22 THR A 82 78.938 -8.359 -1.646 1.00 0.00 H new ATOM 0 HG23 THR A 82 78.886 -6.668 -2.200 1.00 0.00 H new ATOM 1306 N ALA A 83 75.337 -9.969 -2.337 1.00 0.00 N ATOM 1307 CA ALA A 83 75.302 -11.460 -2.411 1.00 0.00 C ATOM 1308 C ALA A 83 75.004 -11.909 -3.844 1.00 0.00 C ATOM 1309 O ALA A 83 75.650 -12.788 -4.378 1.00 0.00 O ATOM 1310 CB ALA A 83 74.209 -11.989 -1.481 1.00 0.00 C ATOM 0 H ALA A 83 74.464 -9.530 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 83 76.272 -11.853 -2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 83 74.182 -13.077 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 83 74.421 -11.680 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 83 73.244 -11.587 -1.788 1.00 0.00 H new ATOM 1316 N CYS A 84 74.014 -11.326 -4.465 1.00 0.00 N ATOM 1317 CA CYS A 84 73.657 -11.736 -5.853 1.00 0.00 C ATOM 1318 C CYS A 84 74.749 -11.305 -6.836 1.00 0.00 C ATOM 1319 O CYS A 84 75.200 -10.177 -6.829 1.00 0.00 O ATOM 1320 CB CYS A 84 72.333 -11.080 -6.251 1.00 0.00 C ATOM 1321 SG CYS A 84 72.572 -9.294 -6.420 1.00 0.00 S ATOM 0 H CYS A 84 73.437 -10.583 -4.070 1.00 0.00 H new ATOM 0 HA CYS A 84 73.561 -12.821 -5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 84 71.975 -11.500 -7.191 1.00 0.00 H new ATOM 0 HB3 CYS A 84 71.572 -11.286 -5.499 1.00 0.00 H new ATOM 0 HG CYS A 84 73.832 -9.042 -6.619 1.00 0.00 H new ATOM 1450 N SER B 1 59.344 -7.004 -8.615 1.00 0.00 N ATOM 1451 CA SER B 1 58.887 -6.111 -7.512 1.00 0.00 C ATOM 1452 C SER B 1 59.511 -4.724 -7.684 1.00 0.00 C ATOM 1453 O SER B 1 60.565 -4.573 -8.269 1.00 0.00 O ATOM 1454 CB SER B 1 59.320 -6.700 -6.168 1.00 0.00 C ATOM 1455 OG SER B 1 60.722 -6.531 -6.012 1.00 0.00 O ATOM 0 H1 SER B 1 59.553 -7.948 -8.233 1.00 0.00 H new ATOM 0 H2 SER B 1 58.596 -7.079 -9.333 1.00 0.00 H new ATOM 0 H3 SER B 1 60.202 -6.608 -9.049 1.00 0.00 H new ATOM 0 HA SER B 1 57.801 -6.026 -7.541 1.00 0.00 H new ATOM 0 HB2 SER B 1 58.790 -6.206 -5.354 1.00 0.00 H new ATOM 0 HB3 SER B 1 59.062 -7.758 -6.121 1.00 0.00 H new ATOM 0 HG SER B 1 61.003 -6.906 -5.151 1.00 0.00 H new ATOM 1463 N GLU B 2 58.864 -3.709 -7.182 1.00 0.00 N ATOM 1464 CA GLU B 2 59.406 -2.327 -7.315 1.00 0.00 C ATOM 1465 C GLU B 2 60.778 -2.246 -6.643 1.00 0.00 C ATOM 1466 O GLU B 2 61.652 -1.527 -7.087 1.00 0.00 O ATOM 1467 CB GLU B 2 58.449 -1.344 -6.636 1.00 0.00 C ATOM 1468 CG GLU B 2 57.117 -1.331 -7.388 1.00 0.00 C ATOM 1469 CD GLU B 2 56.158 -0.349 -6.713 1.00 0.00 C ATOM 1470 OE1 GLU B 2 56.487 0.125 -5.638 1.00 0.00 O ATOM 1471 OE2 GLU B 2 55.113 -0.084 -7.285 1.00 0.00 O ATOM 0 H GLU B 2 57.978 -3.778 -6.682 1.00 0.00 H new ATOM 0 HA GLU B 2 59.506 -2.075 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU B 2 58.290 -1.633 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU B 2 58.883 -0.344 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU B 2 57.277 -1.043 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU B 2 56.683 -2.331 -7.397 1.00 0.00 H new ATOM 1478 N LEU B 3 60.981 -2.980 -5.585 1.00 0.00 N ATOM 1479 CA LEU B 3 62.299 -2.951 -4.894 1.00 0.00 C ATOM 1480 C LEU B 3 63.343 -3.677 -5.757 1.00 0.00 C ATOM 1481 O LEU B 3 64.507 -3.326 -5.773 1.00 0.00 O ATOM 1482 CB LEU B 3 62.155 -3.653 -3.528 1.00 0.00 C ATOM 1483 CG LEU B 3 63.115 -3.042 -2.488 1.00 0.00 C ATOM 1484 CD1 LEU B 3 64.553 -3.074 -3.021 1.00 0.00 C ATOM 1485 CD2 LEU B 3 62.706 -1.586 -2.161 1.00 0.00 C ATOM 0 H LEU B 3 60.288 -3.601 -5.168 1.00 0.00 H new ATOM 0 HA LEU B 3 62.624 -1.922 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU B 3 61.127 -3.564 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU B 3 62.363 -4.717 -3.639 1.00 0.00 H new ATOM 0 HG LEU B 3 63.058 -3.633 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU B 3 65.225 -2.641 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU B 3 64.846 -4.106 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU B 3 64.611 -2.499 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU B 3 63.395 -1.171 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU B 3 62.741 -0.985 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU B 3 61.694 -1.574 -1.757 1.00 0.00 H new ATOM 1497 N GLU B 4 62.934 -4.684 -6.479 1.00 0.00 N ATOM 1498 CA GLU B 4 63.899 -5.426 -7.340 1.00 0.00 C ATOM 1499 C GLU B 4 64.500 -4.470 -8.372 1.00 0.00 C ATOM 1500 O GLU B 4 65.694 -4.447 -8.596 1.00 0.00 O ATOM 1501 CB GLU B 4 63.161 -6.567 -8.053 1.00 0.00 C ATOM 1502 CG GLU B 4 64.150 -7.408 -8.868 1.00 0.00 C ATOM 1503 CD GLU B 4 65.152 -8.083 -7.926 1.00 0.00 C ATOM 1504 OE1 GLU B 4 64.855 -8.179 -6.747 1.00 0.00 O ATOM 1505 OE2 GLU B 4 66.198 -8.491 -8.402 1.00 0.00 O ATOM 0 H GLU B 4 61.973 -5.025 -6.510 1.00 0.00 H new ATOM 0 HA GLU B 4 64.700 -5.839 -6.728 1.00 0.00 H new ATOM 0 HB2 GLU B 4 62.654 -7.196 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU B 4 62.392 -6.159 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU B 4 63.613 -8.162 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU B 4 64.677 -6.776 -9.583 1.00 0.00 H new ATOM 1512 N LYS B 5 63.673 -3.688 -9.006 1.00 0.00 N ATOM 1513 CA LYS B 5 64.175 -2.730 -10.033 1.00 0.00 C ATOM 1514 C LYS B 5 65.111 -1.715 -9.381 1.00 0.00 C ATOM 1515 O LYS B 5 66.122 -1.339 -9.939 1.00 0.00 O ATOM 1516 CB LYS B 5 62.996 -1.990 -10.663 1.00 0.00 C ATOM 1517 CG LYS B 5 62.132 -2.980 -11.441 1.00 0.00 C ATOM 1518 CD LYS B 5 60.954 -2.237 -12.070 1.00 0.00 C ATOM 1519 CE LYS B 5 60.088 -3.226 -12.848 1.00 0.00 C ATOM 1520 NZ LYS B 5 59.589 -4.278 -11.918 1.00 0.00 N ATOM 0 H LYS B 5 62.664 -3.670 -8.857 1.00 0.00 H new ATOM 0 HA LYS B 5 64.716 -3.283 -10.801 1.00 0.00 H new ATOM 0 HB2 LYS B 5 62.403 -1.503 -9.889 1.00 0.00 H new ATOM 0 HB3 LYS B 5 63.358 -1.206 -11.328 1.00 0.00 H new ATOM 0 HG2 LYS B 5 62.725 -3.467 -12.215 1.00 0.00 H new ATOM 0 HG3 LYS B 5 61.769 -3.764 -10.776 1.00 0.00 H new ATOM 0 HD2 LYS B 5 60.362 -1.749 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS B 5 61.317 -1.453 -12.735 1.00 0.00 H new ATOM 0 HE2 LYS B 5 59.250 -2.707 -13.312 1.00 0.00 H new ATOM 0 HE3 LYS B 5 60.667 -3.680 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 58.605 -4.515 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 60.182 -5.128 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 59.631 -3.926 -10.940 1.00 0.00 H new ATOM 1534 N ALA B 6 64.775 -1.264 -8.207 1.00 0.00 N ATOM 1535 CA ALA B 6 65.643 -0.267 -7.524 1.00 0.00 C ATOM 1536 C ALA B 6 67.033 -0.872 -7.316 1.00 0.00 C ATOM 1537 O ALA B 6 68.038 -0.249 -7.593 1.00 0.00 O ATOM 1538 CB ALA B 6 65.030 0.097 -6.168 1.00 0.00 C ATOM 0 H ALA B 6 63.940 -1.541 -7.692 1.00 0.00 H new ATOM 0 HA ALA B 6 65.725 0.632 -8.135 1.00 0.00 H new ATOM 0 HB1 ALA B 6 65.665 0.827 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA B 6 64.038 0.522 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA B 6 64.951 -0.799 -5.552 1.00 0.00 H new ATOM 1544 N MET B 7 67.099 -2.086 -6.842 1.00 0.00 N ATOM 1545 CA MET B 7 68.428 -2.727 -6.634 1.00 0.00 C ATOM 1546 C MET B 7 69.154 -2.850 -7.974 1.00 0.00 C ATOM 1547 O MET B 7 70.314 -2.511 -8.099 1.00 0.00 O ATOM 1548 CB MET B 7 68.240 -4.118 -6.030 1.00 0.00 C ATOM 1549 CG MET B 7 69.604 -4.680 -5.625 1.00 0.00 C ATOM 1550 SD MET B 7 69.385 -6.307 -4.865 1.00 0.00 S ATOM 1551 CE MET B 7 68.551 -5.765 -3.348 1.00 0.00 C ATOM 0 H MET B 7 66.294 -2.660 -6.591 1.00 0.00 H new ATOM 0 HA MET B 7 69.019 -2.113 -5.954 1.00 0.00 H new ATOM 0 HB2 MET B 7 67.583 -4.065 -5.162 1.00 0.00 H new ATOM 0 HB3 MET B 7 67.761 -4.779 -6.752 1.00 0.00 H new ATOM 0 HG2 MET B 7 70.251 -4.759 -6.499 1.00 0.00 H new ATOM 0 HG3 MET B 7 70.095 -4.003 -4.926 1.00 0.00 H new ATOM 0 HE1 MET B 7 68.985 -6.279 -2.490 1.00 0.00 H new ATOM 0 HE2 MET B 7 68.677 -4.689 -3.228 1.00 0.00 H new ATOM 0 HE3 MET B 7 67.489 -6.001 -3.413 1.00 0.00 H new ATOM 1561 N VAL B 8 68.484 -3.368 -8.969 1.00 0.00 N ATOM 1562 CA VAL B 8 69.144 -3.558 -10.291 1.00 0.00 C ATOM 1563 C VAL B 8 69.611 -2.204 -10.823 1.00 0.00 C ATOM 1564 O VAL B 8 70.691 -2.086 -11.368 1.00 0.00 O ATOM 1565 CB VAL B 8 68.139 -4.188 -11.266 1.00 0.00 C ATOM 1566 CG1 VAL B 8 68.716 -4.195 -12.684 1.00 0.00 C ATOM 1567 CG2 VAL B 8 67.845 -5.628 -10.830 1.00 0.00 C ATOM 0 H VAL B 8 67.510 -3.667 -8.922 1.00 0.00 H new ATOM 0 HA VAL B 8 70.007 -4.216 -10.187 1.00 0.00 H new ATOM 0 HB VAL B 8 67.219 -3.603 -11.259 1.00 0.00 H new ATOM 0 HG11 VAL B 8 67.996 -4.644 -13.368 1.00 0.00 H new ATOM 0 HG12 VAL B 8 68.925 -3.172 -12.997 1.00 0.00 H new ATOM 0 HG13 VAL B 8 69.639 -4.774 -12.698 1.00 0.00 H new ATOM 0 HG21 VAL B 8 67.132 -6.079 -11.520 1.00 0.00 H new ATOM 0 HG22 VAL B 8 68.769 -6.206 -10.835 1.00 0.00 H new ATOM 0 HG23 VAL B 8 67.425 -5.625 -9.824 1.00 0.00 H new ATOM 1577 N ALA B 9 68.831 -1.175 -10.655 1.00 0.00 N ATOM 1578 CA ALA B 9 69.279 0.159 -11.139 1.00 0.00 C ATOM 1579 C ALA B 9 70.574 0.524 -10.409 1.00 0.00 C ATOM 1580 O ALA B 9 71.488 1.083 -10.980 1.00 0.00 O ATOM 1581 CB ALA B 9 68.204 1.214 -10.845 1.00 0.00 C ATOM 0 H ALA B 9 67.914 -1.198 -10.209 1.00 0.00 H new ATOM 0 HA ALA B 9 69.447 0.127 -12.215 1.00 0.00 H new ATOM 0 HB1 ALA B 9 68.541 2.187 -11.203 1.00 0.00 H new ATOM 0 HB2 ALA B 9 67.279 0.942 -11.352 1.00 0.00 H new ATOM 0 HB3 ALA B 9 68.028 1.264 -9.771 1.00 0.00 H new ATOM 1587 N LEU B 10 70.643 0.229 -9.138 1.00 0.00 N ATOM 1588 CA LEU B 10 71.860 0.579 -8.346 1.00 0.00 C ATOM 1589 C LEU B 10 73.099 -0.117 -8.939 1.00 0.00 C ATOM 1590 O LEU B 10 74.110 0.510 -9.183 1.00 0.00 O ATOM 1591 CB LEU B 10 71.645 0.120 -6.888 1.00 0.00 C ATOM 1592 CG LEU B 10 72.442 0.997 -5.898 1.00 0.00 C ATOM 1593 CD1 LEU B 10 73.903 1.115 -6.347 1.00 0.00 C ATOM 1594 CD2 LEU B 10 71.815 2.403 -5.787 1.00 0.00 C ATOM 0 H LEU B 10 69.906 -0.241 -8.612 1.00 0.00 H new ATOM 0 HA LEU B 10 72.024 1.656 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU B 10 70.584 0.165 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU B 10 71.952 -0.921 -6.783 1.00 0.00 H new ATOM 0 HG LEU B 10 72.407 0.520 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU B 10 74.452 1.736 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU B 10 74.353 0.123 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU B 10 73.944 1.570 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU B 10 72.392 3.004 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU B 10 71.821 2.883 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU B 10 70.788 2.316 -5.432 1.00 0.00 H new ATOM 1606 N ILE B 11 73.037 -1.406 -9.161 1.00 0.00 N ATOM 1607 CA ILE B 11 74.221 -2.125 -9.725 1.00 0.00 C ATOM 1608 C ILE B 11 74.577 -1.530 -11.091 1.00 0.00 C ATOM 1609 O ILE B 11 75.719 -1.217 -11.368 1.00 0.00 O ATOM 1610 CB ILE B 11 73.874 -3.611 -9.879 1.00 0.00 C ATOM 1611 CG1 ILE B 11 73.568 -4.200 -8.499 1.00 0.00 C ATOM 1612 CG2 ILE B 11 75.054 -4.366 -10.502 1.00 0.00 C ATOM 1613 CD1 ILE B 11 72.983 -5.605 -8.654 1.00 0.00 C ATOM 0 H ILE B 11 72.221 -1.990 -8.977 1.00 0.00 H new ATOM 0 HA ILE B 11 75.075 -2.017 -9.056 1.00 0.00 H new ATOM 0 HB ILE B 11 73.005 -3.711 -10.529 1.00 0.00 H new ATOM 0 HG12 ILE B 11 74.478 -4.239 -7.900 1.00 0.00 H new ATOM 0 HG13 ILE B 11 72.864 -3.559 -7.968 1.00 0.00 H new ATOM 0 HG21 ILE B 11 74.797 -5.420 -10.607 1.00 0.00 H new ATOM 0 HG22 ILE B 11 75.276 -3.947 -11.484 1.00 0.00 H new ATOM 0 HG23 ILE B 11 75.929 -4.268 -9.859 1.00 0.00 H new ATOM 0 HD11 ILE B 11 72.767 -6.020 -7.669 1.00 0.00 H new ATOM 0 HD12 ILE B 11 72.063 -5.554 -9.236 1.00 0.00 H new ATOM 0 HD13 ILE B 11 73.702 -6.244 -9.167 1.00 0.00 H new ATOM 1625 N ASP B 12 73.611 -1.400 -11.949 1.00 0.00 N ATOM 1626 CA ASP B 12 73.889 -0.856 -13.309 1.00 0.00 C ATOM 1627 C ASP B 12 74.527 0.530 -13.172 1.00 0.00 C ATOM 1628 O ASP B 12 75.445 0.878 -13.890 1.00 0.00 O ATOM 1629 CB ASP B 12 72.574 -0.740 -14.086 1.00 0.00 C ATOM 1630 CG ASP B 12 72.850 -0.202 -15.491 1.00 0.00 C ATOM 1631 OD1 ASP B 12 73.959 0.247 -15.725 1.00 0.00 O ATOM 1632 OD2 ASP B 12 71.946 -0.249 -16.308 1.00 0.00 O ATOM 0 H ASP B 12 72.637 -1.646 -11.771 1.00 0.00 H new ATOM 0 HA ASP B 12 74.568 -1.521 -13.843 1.00 0.00 H new ATOM 0 HB2 ASP B 12 72.090 -1.715 -14.148 1.00 0.00 H new ATOM 0 HB3 ASP B 12 71.887 -0.076 -13.561 1.00 0.00 H new ATOM 1637 N VAL B 13 74.054 1.317 -12.250 1.00 0.00 N ATOM 1638 CA VAL B 13 74.634 2.677 -12.051 1.00 0.00 C ATOM 1639 C VAL B 13 76.049 2.571 -11.459 1.00 0.00 C ATOM 1640 O VAL B 13 76.937 3.316 -11.821 1.00 0.00 O ATOM 1641 CB VAL B 13 73.721 3.477 -11.113 1.00 0.00 C ATOM 1642 CG1 VAL B 13 74.402 4.782 -10.688 1.00 0.00 C ATOM 1643 CG2 VAL B 13 72.423 3.811 -11.851 1.00 0.00 C ATOM 0 H VAL B 13 73.287 1.078 -11.621 1.00 0.00 H new ATOM 0 HA VAL B 13 74.705 3.188 -13.011 1.00 0.00 H new ATOM 0 HB VAL B 13 73.513 2.880 -10.225 1.00 0.00 H new ATOM 0 HG11 VAL B 13 73.741 5.338 -10.023 1.00 0.00 H new ATOM 0 HG12 VAL B 13 75.332 4.554 -10.168 1.00 0.00 H new ATOM 0 HG13 VAL B 13 74.618 5.384 -11.571 1.00 0.00 H new ATOM 0 HG21 VAL B 13 71.766 4.380 -11.193 1.00 0.00 H new ATOM 0 HG22 VAL B 13 72.650 4.403 -12.737 1.00 0.00 H new ATOM 0 HG23 VAL B 13 71.926 2.888 -12.149 1.00 0.00 H new ATOM 1653 N PHE B 14 76.264 1.670 -10.537 1.00 0.00 N ATOM 1654 CA PHE B 14 77.618 1.548 -9.915 1.00 0.00 C ATOM 1655 C PHE B 14 78.677 1.166 -10.959 1.00 0.00 C ATOM 1656 O PHE B 14 79.675 1.842 -11.112 1.00 0.00 O ATOM 1657 CB PHE B 14 77.566 0.464 -8.830 1.00 0.00 C ATOM 1658 CG PHE B 14 78.951 0.212 -8.270 1.00 0.00 C ATOM 1659 CD1 PHE B 14 79.786 -0.740 -8.869 1.00 0.00 C ATOM 1660 CD2 PHE B 14 79.393 0.918 -7.144 1.00 0.00 C ATOM 1661 CE1 PHE B 14 81.061 -0.983 -8.343 1.00 0.00 C ATOM 1662 CE2 PHE B 14 80.669 0.675 -6.620 1.00 0.00 C ATOM 1663 CZ PHE B 14 81.503 -0.276 -7.220 1.00 0.00 C ATOM 0 H PHE B 14 75.564 1.015 -10.188 1.00 0.00 H new ATOM 0 HA PHE B 14 77.894 2.511 -9.486 1.00 0.00 H new ATOM 0 HB2 PHE B 14 76.894 0.773 -8.030 1.00 0.00 H new ATOM 0 HB3 PHE B 14 77.162 -0.458 -9.247 1.00 0.00 H new ATOM 0 HD1 PHE B 14 79.447 -1.287 -9.736 1.00 0.00 H new ATOM 0 HD2 PHE B 14 78.749 1.650 -6.679 1.00 0.00 H new ATOM 0 HE1 PHE B 14 81.704 -1.717 -8.805 1.00 0.00 H new ATOM 0 HE2 PHE B 14 81.010 1.221 -5.753 1.00 0.00 H new ATOM 0 HZ PHE B 14 82.487 -0.464 -6.816 1.00 0.00 H new ATOM 1673 N HIS B 15 78.507 0.059 -11.633 1.00 0.00 N ATOM 1674 CA HIS B 15 79.548 -0.387 -12.606 1.00 0.00 C ATOM 1675 C HIS B 15 79.775 0.640 -13.715 1.00 0.00 C ATOM 1676 O HIS B 15 80.900 0.883 -14.103 1.00 0.00 O ATOM 1677 CB HIS B 15 79.114 -1.716 -13.233 1.00 0.00 C ATOM 1678 CG HIS B 15 79.243 -2.816 -12.217 1.00 0.00 C ATOM 1679 ND1 HIS B 15 80.345 -3.660 -12.179 1.00 0.00 N ATOM 1680 CD2 HIS B 15 78.422 -3.225 -11.196 1.00 0.00 C ATOM 1681 CE1 HIS B 15 80.159 -4.524 -11.165 1.00 0.00 C ATOM 1682 NE2 HIS B 15 79.004 -4.301 -10.536 1.00 0.00 N ATOM 0 H HIS B 15 77.696 -0.554 -11.553 1.00 0.00 H new ATOM 0 HA HIS B 15 80.485 -0.503 -12.062 1.00 0.00 H new ATOM 0 HB2 HIS B 15 78.083 -1.647 -13.581 1.00 0.00 H new ATOM 0 HB3 HIS B 15 79.730 -1.937 -14.104 1.00 0.00 H new ATOM 0 HD2 HIS B 15 77.471 -2.780 -10.944 1.00 0.00 H new ATOM 0 HE1 HIS B 15 80.858 -5.302 -10.894 1.00 0.00 H new ATOM 0 HE2 HIS B 15 78.627 -4.813 -9.738 1.00 0.00 H new ATOM 1691 N GLN B 16 78.753 1.254 -14.237 1.00 0.00 N ATOM 1692 CA GLN B 16 78.988 2.255 -15.317 1.00 0.00 C ATOM 1693 C GLN B 16 79.786 3.436 -14.769 1.00 0.00 C ATOM 1694 O GLN B 16 80.669 3.958 -15.419 1.00 0.00 O ATOM 1695 CB GLN B 16 77.639 2.748 -15.847 1.00 0.00 C ATOM 1696 CG GLN B 16 77.867 3.786 -16.947 1.00 0.00 C ATOM 1697 CD GLN B 16 76.530 4.139 -17.599 1.00 0.00 C ATOM 1698 OE1 GLN B 16 75.535 3.483 -17.366 1.00 0.00 O ATOM 1699 NE2 GLN B 16 76.460 5.165 -18.403 1.00 0.00 N ATOM 0 H GLN B 16 77.779 1.111 -13.970 1.00 0.00 H new ATOM 0 HA GLN B 16 79.554 1.790 -16.125 1.00 0.00 H new ATOM 0 HB2 GLN B 16 77.062 1.910 -16.238 1.00 0.00 H new ATOM 0 HB3 GLN B 16 77.056 3.185 -15.036 1.00 0.00 H new ATOM 0 HG2 GLN B 16 78.327 4.681 -16.528 1.00 0.00 H new ATOM 0 HG3 GLN B 16 78.556 3.394 -17.695 1.00 0.00 H new ATOM 0 HE21 GLN B 16 77.295 5.717 -18.600 1.00 0.00 H new ATOM 0 HE22 GLN B 16 75.570 5.415 -18.835 1.00 0.00 H new ATOM 1708 N TYR B 17 79.481 3.855 -13.576 1.00 0.00 N ATOM 1709 CA TYR B 17 80.220 5.002 -12.975 1.00 0.00 C ATOM 1710 C TYR B 17 81.641 4.563 -12.596 1.00 0.00 C ATOM 1711 O TYR B 17 82.606 5.244 -12.876 1.00 0.00 O ATOM 1712 CB TYR B 17 79.468 5.492 -11.724 1.00 0.00 C ATOM 1713 CG TYR B 17 78.423 6.520 -12.114 1.00 0.00 C ATOM 1714 CD1 TYR B 17 77.341 6.152 -12.924 1.00 0.00 C ATOM 1715 CD2 TYR B 17 78.538 7.842 -11.662 1.00 0.00 C ATOM 1716 CE1 TYR B 17 76.377 7.104 -13.281 1.00 0.00 C ATOM 1717 CE2 TYR B 17 77.575 8.792 -12.018 1.00 0.00 C ATOM 1718 CZ TYR B 17 76.495 8.423 -12.828 1.00 0.00 C ATOM 1719 OH TYR B 17 75.544 9.361 -13.178 1.00 0.00 O ATOM 0 H TYR B 17 78.751 3.454 -12.988 1.00 0.00 H new ATOM 0 HA TYR B 17 80.284 5.815 -13.699 1.00 0.00 H new ATOM 0 HB2 TYR B 17 78.991 4.649 -11.223 1.00 0.00 H new ATOM 0 HB3 TYR B 17 80.171 5.928 -11.015 1.00 0.00 H new ATOM 0 HD1 TYR B 17 77.250 5.134 -13.273 1.00 0.00 H new ATOM 0 HD2 TYR B 17 79.372 8.128 -11.038 1.00 0.00 H new ATOM 0 HE1 TYR B 17 75.543 6.820 -13.906 1.00 0.00 H new ATOM 0 HE2 TYR B 17 77.665 9.810 -11.668 1.00 0.00 H new ATOM 0 HH TYR B 17 75.654 10.161 -12.623 1.00 0.00 H new ATOM 1729 N SER B 18 81.774 3.433 -11.954 1.00 0.00 N ATOM 1730 CA SER B 18 83.126 2.955 -11.549 1.00 0.00 C ATOM 1731 C SER B 18 83.899 2.460 -12.771 1.00 0.00 C ATOM 1732 O SER B 18 85.108 2.355 -12.750 1.00 0.00 O ATOM 1733 CB SER B 18 82.981 1.812 -10.543 1.00 0.00 C ATOM 1734 OG SER B 18 82.439 0.675 -11.201 1.00 0.00 O ATOM 0 H SER B 18 81.002 2.820 -11.692 1.00 0.00 H new ATOM 0 HA SER B 18 83.672 3.781 -11.094 1.00 0.00 H new ATOM 0 HB2 SER B 18 83.951 1.568 -10.110 1.00 0.00 H new ATOM 0 HB3 SER B 18 82.332 2.115 -9.721 1.00 0.00 H new ATOM 0 HG SER B 18 81.994 0.098 -10.545 1.00 0.00 H new ATOM 1740 N GLY B 19 83.212 2.157 -13.839 1.00 0.00 N ATOM 1741 CA GLY B 19 83.909 1.670 -15.066 1.00 0.00 C ATOM 1742 C GLY B 19 84.307 2.862 -15.936 1.00 0.00 C ATOM 1743 O GLY B 19 84.640 2.711 -17.094 1.00 0.00 O ATOM 0 H GLY B 19 82.197 2.225 -13.916 1.00 0.00 H new ATOM 0 HA2 GLY B 19 84.794 1.096 -14.790 1.00 0.00 H new ATOM 0 HA3 GLY B 19 83.256 1.000 -15.626 1.00 0.00 H new ATOM 1747 N ARG B 20 84.292 4.048 -15.388 1.00 0.00 N ATOM 1748 CA ARG B 20 84.692 5.238 -16.190 1.00 0.00 C ATOM 1749 C ARG B 20 86.217 5.295 -16.283 1.00 0.00 C ATOM 1750 O ARG B 20 86.780 5.547 -17.330 1.00 0.00 O ATOM 1751 CB ARG B 20 84.173 6.510 -15.513 1.00 0.00 C ATOM 1752 CG ARG B 20 82.650 6.570 -15.637 1.00 0.00 C ATOM 1753 CD ARG B 20 82.129 7.842 -14.961 1.00 0.00 C ATOM 1754 NE ARG B 20 82.598 9.039 -15.714 1.00 0.00 N ATOM 1755 CZ ARG B 20 82.052 10.204 -15.490 1.00 0.00 C ATOM 1756 NH1 ARG B 20 81.093 10.318 -14.613 1.00 0.00 N ATOM 1757 NH2 ARG B 20 82.465 11.256 -16.144 1.00 0.00 N ATOM 0 H ARG B 20 84.021 4.243 -14.424 1.00 0.00 H new ATOM 0 HA ARG B 20 84.267 5.163 -17.191 1.00 0.00 H new ATOM 0 HB2 ARG B 20 84.463 6.520 -14.462 1.00 0.00 H new ATOM 0 HB3 ARG B 20 84.621 7.389 -15.976 1.00 0.00 H new ATOM 0 HG2 ARG B 20 82.360 6.560 -16.688 1.00 0.00 H new ATOM 0 HG3 ARG B 20 82.202 5.691 -15.174 1.00 0.00 H new ATOM 0 HD2 ARG B 20 81.040 7.826 -14.926 1.00 0.00 H new ATOM 0 HD3 ARG B 20 82.481 7.888 -13.930 1.00 0.00 H new ATOM 0 HE ARG B 20 83.344 8.949 -16.403 1.00 0.00 H new ATOM 0 HH11 ARG B 20 80.769 9.497 -14.102 1.00 0.00 H new ATOM 0 HH12 ARG B 20 80.667 11.228 -14.439 1.00 0.00 H new ATOM 0 HH21 ARG B 20 83.214 11.168 -16.830 1.00 0.00 H new ATOM 0 HH22 ARG B 20 82.038 12.166 -15.969 1.00 0.00 H new ATOM 1771 N GLU B 21 86.892 5.069 -15.185 1.00 0.00 N ATOM 1772 CA GLU B 21 88.382 5.115 -15.187 1.00 0.00 C ATOM 1773 C GLU B 21 88.918 4.172 -14.105 1.00 0.00 C ATOM 1774 O GLU B 21 88.484 4.206 -12.971 1.00 0.00 O ATOM 1775 CB GLU B 21 88.837 6.551 -14.897 1.00 0.00 C ATOM 1776 CG GLU B 21 90.321 6.717 -15.237 1.00 0.00 C ATOM 1777 CD GLU B 21 91.171 5.941 -14.230 1.00 0.00 C ATOM 1778 OE1 GLU B 21 91.071 6.235 -13.050 1.00 0.00 O ATOM 1779 OE2 GLU B 21 91.910 5.068 -14.655 1.00 0.00 O ATOM 0 H GLU B 21 86.470 4.853 -14.282 1.00 0.00 H new ATOM 0 HA GLU B 21 88.764 4.801 -16.158 1.00 0.00 H new ATOM 0 HB2 GLU B 21 88.242 7.253 -15.481 1.00 0.00 H new ATOM 0 HB3 GLU B 21 88.669 6.788 -13.846 1.00 0.00 H new ATOM 0 HG2 GLU B 21 90.515 6.355 -16.247 1.00 0.00 H new ATOM 0 HG3 GLU B 21 90.592 7.773 -15.219 1.00 0.00 H new ATOM 1786 N GLY B 22 89.861 3.330 -14.442 1.00 0.00 N ATOM 1787 CA GLY B 22 90.429 2.385 -13.430 1.00 0.00 C ATOM 1788 C GLY B 22 89.718 1.031 -13.528 1.00 0.00 C ATOM 1789 O GLY B 22 88.839 0.838 -14.345 1.00 0.00 O ATOM 0 H GLY B 22 90.264 3.255 -15.376 1.00 0.00 H new ATOM 0 HA2 GLY B 22 91.498 2.258 -13.598 1.00 0.00 H new ATOM 0 HA3 GLY B 22 90.311 2.797 -12.428 1.00 0.00 H new ATOM 1793 N ASP B 23 90.098 0.090 -12.704 1.00 0.00 N ATOM 1794 CA ASP B 23 89.451 -1.255 -12.755 1.00 0.00 C ATOM 1795 C ASP B 23 88.064 -1.196 -12.112 1.00 0.00 C ATOM 1796 O ASP B 23 87.816 -0.422 -11.209 1.00 0.00 O ATOM 1797 CB ASP B 23 90.316 -2.269 -12.001 1.00 0.00 C ATOM 1798 CG ASP B 23 91.601 -2.533 -12.788 1.00 0.00 C ATOM 1799 OD1 ASP B 23 91.610 -2.260 -13.978 1.00 0.00 O ATOM 1800 OD2 ASP B 23 92.552 -3.006 -12.189 1.00 0.00 O ATOM 0 H ASP B 23 90.827 0.194 -11.999 1.00 0.00 H new ATOM 0 HA ASP B 23 89.350 -1.560 -13.797 1.00 0.00 H new ATOM 0 HB2 ASP B 23 90.557 -1.889 -11.008 1.00 0.00 H new ATOM 0 HB3 ASP B 23 89.765 -3.199 -11.861 1.00 0.00 H new ATOM 1805 N LYS B 24 87.161 -2.017 -12.573 1.00 0.00 N ATOM 1806 CA LYS B 24 85.785 -2.031 -12.001 1.00 0.00 C ATOM 1807 C LYS B 24 85.827 -2.610 -10.586 1.00 0.00 C ATOM 1808 O LYS B 24 86.624 -3.472 -10.290 1.00 0.00 O ATOM 1809 CB LYS B 24 84.885 -2.905 -12.876 1.00 0.00 C ATOM 1810 CG LYS B 24 84.729 -2.257 -14.251 1.00 0.00 C ATOM 1811 CD LYS B 24 83.829 -3.129 -15.130 1.00 0.00 C ATOM 1812 CE LYS B 24 83.670 -2.482 -16.508 1.00 0.00 C ATOM 1813 NZ LYS B 24 82.679 -1.373 -16.425 1.00 0.00 N ATOM 0 H LYS B 24 87.319 -2.684 -13.328 1.00 0.00 H new ATOM 0 HA LYS B 24 85.393 -1.014 -11.968 1.00 0.00 H new ATOM 0 HB2 LYS B 24 85.315 -3.901 -12.978 1.00 0.00 H new ATOM 0 HB3 LYS B 24 83.909 -3.026 -12.406 1.00 0.00 H new ATOM 0 HG2 LYS B 24 84.299 -1.261 -14.148 1.00 0.00 H new ATOM 0 HG3 LYS B 24 85.705 -2.136 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS B 24 84.260 -4.125 -15.233 1.00 0.00 H new ATOM 0 HD3 LYS B 24 82.853 -3.251 -14.660 1.00 0.00 H new ATOM 0 HE2 LYS B 24 84.630 -2.101 -16.855 1.00 0.00 H new ATOM 0 HE3 LYS B 24 83.340 -3.225 -17.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 82.989 -0.585 -17.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 81.751 -1.712 -16.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 82.604 -1.047 -15.440 1.00 0.00 H new ATOM 1827 N HIS B 25 84.976 -2.129 -9.715 1.00 0.00 N ATOM 1828 CA HIS B 25 84.940 -2.616 -8.302 1.00 0.00 C ATOM 1829 C HIS B 25 86.038 -1.912 -7.495 1.00 0.00 C ATOM 1830 O HIS B 25 86.460 -2.377 -6.455 1.00 0.00 O ATOM 1831 CB HIS B 25 85.079 -4.161 -8.271 1.00 0.00 C ATOM 1832 CG HIS B 25 86.477 -4.621 -7.899 1.00 0.00 C ATOM 1833 ND1 HIS B 25 87.623 -3.902 -8.217 1.00 0.00 N ATOM 1834 CD2 HIS B 25 86.917 -5.748 -7.244 1.00 0.00 C ATOM 1835 CE1 HIS B 25 88.682 -4.598 -7.762 1.00 0.00 C ATOM 1836 NE2 HIS B 25 88.305 -5.727 -7.162 1.00 0.00 N ATOM 0 H HIS B 25 84.291 -1.404 -9.929 1.00 0.00 H new ATOM 0 HA HIS B 25 83.983 -2.372 -7.841 1.00 0.00 H new ATOM 0 HB2 HIS B 25 84.365 -4.571 -7.557 1.00 0.00 H new ATOM 0 HB3 HIS B 25 84.818 -4.564 -9.249 1.00 0.00 H new ATOM 0 HD1 HIS B 25 87.656 -3.008 -8.707 1.00 0.00 H new ATOM 0 HD2 HIS B 25 86.282 -6.529 -6.853 1.00 0.00 H new ATOM 0 HE1 HIS B 25 89.709 -4.281 -7.870 1.00 0.00 H new ATOM 1845 N LYS B 26 86.486 -0.778 -7.969 1.00 0.00 N ATOM 1846 CA LYS B 26 87.539 -0.012 -7.242 1.00 0.00 C ATOM 1847 C LYS B 26 87.360 1.480 -7.542 1.00 0.00 C ATOM 1848 O LYS B 26 87.626 1.935 -8.636 1.00 0.00 O ATOM 1849 CB LYS B 26 88.923 -0.465 -7.705 1.00 0.00 C ATOM 1850 CG LYS B 26 89.993 0.301 -6.923 1.00 0.00 C ATOM 1851 CD LYS B 26 91.382 -0.282 -7.217 1.00 0.00 C ATOM 1852 CE LYS B 26 91.875 0.194 -8.586 1.00 0.00 C ATOM 1853 NZ LYS B 26 93.303 -0.196 -8.755 1.00 0.00 N ATOM 0 H LYS B 26 86.164 -0.348 -8.836 1.00 0.00 H new ATOM 0 HA LYS B 26 87.449 -0.190 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS B 26 89.039 -1.537 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS B 26 89.039 -0.285 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS B 26 89.968 1.356 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS B 26 89.785 0.243 -5.855 1.00 0.00 H new ATOM 0 HD2 LYS B 26 92.085 0.025 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS B 26 91.340 -1.371 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS B 26 91.269 -0.247 -9.378 1.00 0.00 H new ATOM 0 HE3 LYS B 26 91.769 1.276 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 93.643 0.125 -9.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 93.874 0.245 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 93.390 -1.231 -8.693 1.00 0.00 H new ATOM 1867 N LEU B 27 86.892 2.244 -6.586 1.00 0.00 N ATOM 1868 CA LEU B 27 86.675 3.706 -6.831 1.00 0.00 C ATOM 1869 C LEU B 27 87.888 4.507 -6.326 1.00 0.00 C ATOM 1870 O LEU B 27 88.235 4.467 -5.164 1.00 0.00 O ATOM 1871 CB LEU B 27 85.415 4.151 -6.080 1.00 0.00 C ATOM 1872 CG LEU B 27 84.161 3.714 -6.849 1.00 0.00 C ATOM 1873 CD1 LEU B 27 84.070 2.183 -6.875 1.00 0.00 C ATOM 1874 CD2 LEU B 27 82.924 4.277 -6.147 1.00 0.00 C ATOM 0 H LEU B 27 86.651 1.921 -5.649 1.00 0.00 H new ATOM 0 HA LEU B 27 86.554 3.886 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU B 27 85.407 3.718 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU B 27 85.418 5.234 -5.959 1.00 0.00 H new ATOM 0 HG LEU B 27 84.216 4.088 -7.871 1.00 0.00 H new ATOM 0 HD11 LEU B 27 83.177 1.881 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU B 27 84.953 1.774 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU B 27 84.015 1.804 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU B 27 82.028 3.971 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU B 27 82.880 3.896 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU B 27 82.981 5.365 -6.126 1.00 0.00 H new ATOM 1886 N LYS B 28 88.531 5.232 -7.210 1.00 0.00 N ATOM 1887 CA LYS B 28 89.727 6.046 -6.817 1.00 0.00 C ATOM 1888 C LYS B 28 89.282 7.469 -6.446 1.00 0.00 C ATOM 1889 O LYS B 28 88.163 7.863 -6.703 1.00 0.00 O ATOM 1890 CB LYS B 28 90.706 6.097 -8.000 1.00 0.00 C ATOM 1891 CG LYS B 28 92.054 6.683 -7.546 1.00 0.00 C ATOM 1892 CD LYS B 28 93.098 6.563 -8.674 1.00 0.00 C ATOM 1893 CE LYS B 28 93.765 5.177 -8.650 1.00 0.00 C ATOM 1894 NZ LYS B 28 94.893 5.183 -7.676 1.00 0.00 N ATOM 0 H LYS B 28 88.277 5.296 -8.196 1.00 0.00 H new ATOM 0 HA LYS B 28 90.217 5.592 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS B 28 90.854 5.095 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS B 28 90.288 6.705 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS B 28 91.928 7.729 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS B 28 92.406 6.157 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS B 28 92.618 6.725 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS B 28 93.855 7.339 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS B 28 93.036 4.416 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS B 28 94.131 4.921 -9.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 95.343 4.246 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 95.593 5.898 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 94.531 5.409 -6.727 1.00 0.00 H new ATOM 1908 N LYS B 29 90.141 8.243 -5.832 1.00 0.00 N ATOM 1909 CA LYS B 29 89.743 9.627 -5.441 1.00 0.00 C ATOM 1910 C LYS B 29 89.181 10.356 -6.666 1.00 0.00 C ATOM 1911 O LYS B 29 88.176 11.035 -6.589 1.00 0.00 O ATOM 1912 CB LYS B 29 90.972 10.392 -4.935 1.00 0.00 C ATOM 1913 CG LYS B 29 91.562 9.692 -3.709 1.00 0.00 C ATOM 1914 CD LYS B 29 92.786 10.470 -3.219 1.00 0.00 C ATOM 1915 CE LYS B 29 93.381 9.775 -1.993 1.00 0.00 C ATOM 1916 NZ LYS B 29 94.741 10.321 -1.724 1.00 0.00 N ATOM 0 H LYS B 29 91.095 7.978 -5.586 1.00 0.00 H new ATOM 0 HA LYS B 29 88.989 9.576 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS B 29 91.722 10.453 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS B 29 90.693 11.415 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS B 29 90.815 9.631 -2.917 1.00 0.00 H new ATOM 0 HG3 LYS B 29 91.844 8.670 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS B 29 93.531 10.531 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS B 29 92.503 11.492 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS B 29 92.738 9.929 -1.127 1.00 0.00 H new ATOM 0 HE3 LYS B 29 93.436 8.700 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 95.146 9.849 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 95.352 10.152 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 94.675 11.343 -1.545 1.00 0.00 H new ATOM 1930 N SER B 30 89.812 10.207 -7.796 1.00 0.00 N ATOM 1931 CA SER B 30 89.307 10.874 -9.030 1.00 0.00 C ATOM 1932 C SER B 30 87.892 10.373 -9.321 1.00 0.00 C ATOM 1933 O SER B 30 87.015 11.122 -9.706 1.00 0.00 O ATOM 1934 CB SER B 30 90.222 10.535 -10.207 1.00 0.00 C ATOM 1935 OG SER B 30 91.482 11.166 -10.021 1.00 0.00 O ATOM 0 H SER B 30 90.658 9.651 -7.920 1.00 0.00 H new ATOM 0 HA SER B 30 89.294 11.954 -8.886 1.00 0.00 H new ATOM 0 HB2 SER B 30 90.351 9.455 -10.283 1.00 0.00 H new ATOM 0 HB3 SER B 30 89.770 10.868 -11.141 1.00 0.00 H new ATOM 0 HG SER B 30 92.071 10.949 -10.774 1.00 0.00 H new ATOM 1941 N GLU B 31 87.672 9.108 -9.116 1.00 0.00 N ATOM 1942 CA GLU B 31 86.322 8.527 -9.351 1.00 0.00 C ATOM 1943 C GLU B 31 85.352 9.087 -8.304 1.00 0.00 C ATOM 1944 O GLU B 31 84.208 9.384 -8.589 1.00 0.00 O ATOM 1945 CB GLU B 31 86.391 7.003 -9.226 1.00 0.00 C ATOM 1946 CG GLU B 31 87.167 6.429 -10.412 1.00 0.00 C ATOM 1947 CD GLU B 31 87.321 4.917 -10.236 1.00 0.00 C ATOM 1948 OE1 GLU B 31 88.253 4.511 -9.563 1.00 0.00 O ATOM 1949 OE2 GLU B 31 86.503 4.192 -10.777 1.00 0.00 O ATOM 0 H GLU B 31 88.376 8.444 -8.793 1.00 0.00 H new ATOM 0 HA GLU B 31 85.976 8.787 -10.351 1.00 0.00 H new ATOM 0 HB2 GLU B 31 86.878 6.726 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU B 31 85.385 6.584 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU B 31 86.643 6.646 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU B 31 88.148 6.900 -10.481 1.00 0.00 H new ATOM 1956 N LEU B 32 85.813 9.227 -7.091 1.00 0.00 N ATOM 1957 CA LEU B 32 84.939 9.764 -6.005 1.00 0.00 C ATOM 1958 C LEU B 32 84.498 11.192 -6.359 1.00 0.00 C ATOM 1959 O LEU B 32 83.341 11.543 -6.238 1.00 0.00 O ATOM 1960 CB LEU B 32 85.726 9.763 -4.678 1.00 0.00 C ATOM 1961 CG LEU B 32 84.778 9.628 -3.469 1.00 0.00 C ATOM 1962 CD1 LEU B 32 83.680 10.694 -3.537 1.00 0.00 C ATOM 1963 CD2 LEU B 32 84.137 8.222 -3.433 1.00 0.00 C ATOM 0 H LEU B 32 86.763 8.992 -6.802 1.00 0.00 H new ATOM 0 HA LEU B 32 84.052 9.139 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU B 32 86.441 8.940 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU B 32 86.301 10.685 -4.592 1.00 0.00 H new ATOM 0 HG LEU B 32 85.362 9.771 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU B 32 83.017 10.589 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU B 32 84.134 11.685 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU B 32 83.107 10.568 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU B 32 83.472 8.147 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU B 32 83.567 8.058 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU B 32 84.919 7.467 -3.353 1.00 0.00 H new ATOM 1975 N LYS B 33 85.409 12.014 -6.797 1.00 0.00 N ATOM 1976 CA LYS B 33 85.039 13.414 -7.155 1.00 0.00 C ATOM 1977 C LYS B 33 83.992 13.396 -8.271 1.00 0.00 C ATOM 1978 O LYS B 33 83.054 14.169 -8.267 1.00 0.00 O ATOM 1979 CB LYS B 33 86.287 14.165 -7.633 1.00 0.00 C ATOM 1980 CG LYS B 33 85.914 15.607 -7.993 1.00 0.00 C ATOM 1981 CD LYS B 33 87.188 16.428 -8.230 1.00 0.00 C ATOM 1982 CE LYS B 33 87.892 15.954 -9.505 1.00 0.00 C ATOM 1983 NZ LYS B 33 88.885 16.981 -9.932 1.00 0.00 N ATOM 0 H LYS B 33 86.393 11.779 -6.923 1.00 0.00 H new ATOM 0 HA LYS B 33 84.626 13.917 -6.280 1.00 0.00 H new ATOM 0 HB2 LYS B 33 87.048 14.160 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS B 33 86.716 13.663 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS B 33 85.291 15.619 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS B 33 85.327 16.052 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS B 33 86.938 17.485 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS B 33 87.859 16.327 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS B 33 88.391 15.002 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS B 33 87.162 15.787 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 89.364 16.661 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 88.396 17.880 -10.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 89.588 17.119 -9.178 1.00 0.00 H new ATOM 1997 N GLU B 34 84.142 12.516 -9.222 1.00 0.00 N ATOM 1998 CA GLU B 34 83.148 12.448 -10.331 1.00 0.00 C ATOM 1999 C GLU B 34 81.770 12.114 -9.757 1.00 0.00 C ATOM 2000 O GLU B 34 80.766 12.675 -10.150 1.00 0.00 O ATOM 2001 CB GLU B 34 83.566 11.363 -11.325 1.00 0.00 C ATOM 2002 CG GLU B 34 84.818 11.816 -12.079 1.00 0.00 C ATOM 2003 CD GLU B 34 85.337 10.666 -12.944 1.00 0.00 C ATOM 2004 OE1 GLU B 34 84.728 9.610 -12.921 1.00 0.00 O ATOM 2005 OE2 GLU B 34 86.337 10.862 -13.615 1.00 0.00 O ATOM 0 H GLU B 34 84.907 11.843 -9.280 1.00 0.00 H new ATOM 0 HA GLU B 34 83.105 13.410 -10.843 1.00 0.00 H new ATOM 0 HB2 GLU B 34 83.764 10.429 -10.798 1.00 0.00 H new ATOM 0 HB3 GLU B 34 82.756 11.167 -12.028 1.00 0.00 H new ATOM 0 HG2 GLU B 34 84.587 12.679 -12.703 1.00 0.00 H new ATOM 0 HG3 GLU B 34 85.587 12.130 -11.373 1.00 0.00 H new ATOM 2012 N LEU B 35 81.716 11.185 -8.846 1.00 0.00 N ATOM 2013 CA LEU B 35 80.405 10.783 -8.260 1.00 0.00 C ATOM 2014 C LEU B 35 79.749 12.000 -7.594 1.00 0.00 C ATOM 2015 O LEU B 35 78.590 12.288 -7.812 1.00 0.00 O ATOM 2016 CB LEU B 35 80.655 9.679 -7.212 1.00 0.00 C ATOM 2017 CG LEU B 35 79.399 8.807 -6.998 1.00 0.00 C ATOM 2018 CD1 LEU B 35 78.202 9.680 -6.604 1.00 0.00 C ATOM 2019 CD2 LEU B 35 79.068 8.008 -8.275 1.00 0.00 C ATOM 0 H LEU B 35 82.525 10.684 -8.479 1.00 0.00 H new ATOM 0 HA LEU B 35 79.741 10.408 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU B 35 81.485 9.050 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU B 35 80.949 10.134 -6.266 1.00 0.00 H new ATOM 0 HG LEU B 35 79.606 8.105 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU B 35 77.325 9.050 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU B 35 78.427 10.210 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU B 35 78.002 10.402 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU B 35 78.180 7.400 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU B 35 78.882 8.698 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU B 35 79.908 7.361 -8.527 1.00 0.00 H new ATOM 2031 N ILE B 36 80.478 12.718 -6.788 1.00 0.00 N ATOM 2032 CA ILE B 36 79.883 13.905 -6.114 1.00 0.00 C ATOM 2033 C ILE B 36 79.556 14.993 -7.145 1.00 0.00 C ATOM 2034 O ILE B 36 78.547 15.664 -7.058 1.00 0.00 O ATOM 2035 CB ILE B 36 80.880 14.452 -5.092 1.00 0.00 C ATOM 2036 CG1 ILE B 36 81.085 13.415 -3.987 1.00 0.00 C ATOM 2037 CG2 ILE B 36 80.328 15.741 -4.481 1.00 0.00 C ATOM 2038 CD1 ILE B 36 82.272 13.823 -3.116 1.00 0.00 C ATOM 0 H ILE B 36 81.457 12.536 -6.567 1.00 0.00 H new ATOM 0 HA ILE B 36 78.962 13.609 -5.613 1.00 0.00 H new ATOM 0 HB ILE B 36 81.831 14.661 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE B 36 80.185 13.335 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE B 36 81.263 12.433 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE B 36 81.038 16.131 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE B 36 80.173 16.479 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE B 36 79.379 15.532 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE B 36 82.417 13.083 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE B 36 83.171 13.881 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE B 36 82.076 14.797 -2.667 1.00 0.00 H new ATOM 2050 N ASN B 37 80.415 15.185 -8.105 1.00 0.00 N ATOM 2051 CA ASN B 37 80.183 16.245 -9.133 1.00 0.00 C ATOM 2052 C ASN B 37 79.111 15.826 -10.145 1.00 0.00 C ATOM 2053 O ASN B 37 78.553 16.655 -10.836 1.00 0.00 O ATOM 2054 CB ASN B 37 81.489 16.491 -9.885 1.00 0.00 C ATOM 2055 CG ASN B 37 82.499 17.183 -8.966 1.00 0.00 C ATOM 2056 OD1 ASN B 37 83.650 17.340 -9.321 1.00 0.00 O ATOM 2057 ND2 ASN B 37 82.116 17.606 -7.790 1.00 0.00 N ATOM 0 H ASN B 37 81.276 14.651 -8.225 1.00 0.00 H new ATOM 0 HA ASN B 37 79.842 17.146 -8.623 1.00 0.00 H new ATOM 0 HB2 ASN B 37 81.897 15.545 -10.241 1.00 0.00 H new ATOM 0 HB3 ASN B 37 81.302 17.108 -10.764 1.00 0.00 H new ATOM 0 HD21 ASN B 37 82.783 18.067 -7.172 1.00 0.00 H new ATOM 0 HD22 ASN B 37 81.150 17.475 -7.491 1.00 0.00 H new ATOM 2064 N ASN B 38 78.845 14.558 -10.282 1.00 0.00 N ATOM 2065 CA ASN B 38 77.841 14.120 -11.298 1.00 0.00 C ATOM 2066 C ASN B 38 76.454 14.715 -11.024 1.00 0.00 C ATOM 2067 O ASN B 38 75.921 15.438 -11.843 1.00 0.00 O ATOM 2068 CB ASN B 38 77.735 12.595 -11.285 1.00 0.00 C ATOM 2069 CG ASN B 38 76.777 12.148 -12.390 1.00 0.00 C ATOM 2070 OD1 ASN B 38 75.781 11.507 -12.124 1.00 0.00 O ATOM 2071 ND2 ASN B 38 77.040 12.462 -13.630 1.00 0.00 N ATOM 0 H ASN B 38 79.274 13.808 -9.740 1.00 0.00 H new ATOM 0 HA ASN B 38 78.179 14.475 -12.271 1.00 0.00 H new ATOM 0 HB2 ASN B 38 78.718 12.149 -11.437 1.00 0.00 H new ATOM 0 HB3 ASN B 38 77.376 12.252 -10.315 1.00 0.00 H new ATOM 0 HD21 ASN B 38 76.408 12.169 -14.375 1.00 0.00 H new ATOM 0 HD22 ASN B 38 77.877 13.001 -13.853 1.00 0.00 H new ATOM 2078 N GLU B 39 75.850 14.416 -9.901 1.00 0.00 N ATOM 2079 CA GLU B 39 74.484 14.972 -9.622 1.00 0.00 C ATOM 2080 C GLU B 39 74.319 15.262 -8.129 1.00 0.00 C ATOM 2081 O GLU B 39 73.398 15.943 -7.726 1.00 0.00 O ATOM 2082 CB GLU B 39 73.411 13.958 -10.052 1.00 0.00 C ATOM 2083 CG GLU B 39 73.362 13.841 -11.582 1.00 0.00 C ATOM 2084 CD GLU B 39 72.928 15.175 -12.196 1.00 0.00 C ATOM 2085 OE1 GLU B 39 72.302 15.952 -11.493 1.00 0.00 O ATOM 2086 OE2 GLU B 39 73.230 15.396 -13.357 1.00 0.00 O ATOM 0 H GLU B 39 76.236 13.818 -9.171 1.00 0.00 H new ATOM 0 HA GLU B 39 74.369 15.898 -10.185 1.00 0.00 H new ATOM 0 HB2 GLU B 39 73.627 12.984 -9.614 1.00 0.00 H new ATOM 0 HB3 GLU B 39 72.437 14.268 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU B 39 74.342 13.557 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU B 39 72.666 13.054 -11.873 1.00 0.00 H new ATOM 2093 N LEU B 40 75.188 14.753 -7.299 1.00 0.00 N ATOM 2094 CA LEU B 40 75.041 15.017 -5.838 1.00 0.00 C ATOM 2095 C LEU B 40 75.647 16.383 -5.514 1.00 0.00 C ATOM 2096 O LEU B 40 76.842 16.586 -5.587 1.00 0.00 O ATOM 2097 CB LEU B 40 75.761 13.923 -5.040 1.00 0.00 C ATOM 2098 CG LEU B 40 74.912 12.639 -4.984 1.00 0.00 C ATOM 2099 CD1 LEU B 40 73.693 12.825 -4.061 1.00 0.00 C ATOM 2100 CD2 LEU B 40 74.440 12.272 -6.395 1.00 0.00 C ATOM 0 H LEU B 40 75.984 14.173 -7.564 1.00 0.00 H new ATOM 0 HA LEU B 40 73.985 15.014 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU B 40 76.726 13.707 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU B 40 75.961 14.276 -4.029 1.00 0.00 H new ATOM 0 HG LEU B 40 75.528 11.835 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU B 40 73.110 11.904 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU B 40 74.033 13.064 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU B 40 73.073 13.638 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU B 40 73.840 11.363 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU B 40 73.839 13.086 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU B 40 75.305 12.106 -7.036 1.00 0.00 H new ATOM 2112 N SER B 41 74.815 17.319 -5.155 1.00 0.00 N ATOM 2113 CA SER B 41 75.301 18.687 -4.818 1.00 0.00 C ATOM 2114 C SER B 41 74.276 19.361 -3.903 1.00 0.00 C ATOM 2115 O SER B 41 74.617 20.110 -3.009 1.00 0.00 O ATOM 2116 CB SER B 41 75.464 19.498 -6.106 1.00 0.00 C ATOM 2117 OG SER B 41 76.324 20.603 -5.858 1.00 0.00 O ATOM 0 H SER B 41 73.806 17.194 -5.080 1.00 0.00 H new ATOM 0 HA SER B 41 76.264 18.630 -4.310 1.00 0.00 H new ATOM 0 HB2 SER B 41 75.878 18.870 -6.895 1.00 0.00 H new ATOM 0 HB3 SER B 41 74.493 19.849 -6.454 1.00 0.00 H new ATOM 0 HG SER B 41 76.432 21.124 -6.681 1.00 0.00 H new ATOM 2123 N HIS B 42 73.019 19.085 -4.122 1.00 0.00 N ATOM 2124 CA HIS B 42 71.952 19.683 -3.275 1.00 0.00 C ATOM 2125 C HIS B 42 72.093 19.162 -1.843 1.00 0.00 C ATOM 2126 O HIS B 42 71.865 19.875 -0.886 1.00 0.00 O ATOM 2127 CB HIS B 42 70.583 19.287 -3.832 1.00 0.00 C ATOM 2128 CG HIS B 42 70.350 19.993 -5.140 1.00 0.00 C ATOM 2129 ND1 HIS B 42 70.738 19.446 -6.355 1.00 0.00 N ATOM 2130 CD2 HIS B 42 69.767 21.201 -5.442 1.00 0.00 C ATOM 2131 CE1 HIS B 42 70.389 20.314 -7.322 1.00 0.00 C ATOM 2132 NE2 HIS B 42 69.796 21.397 -6.818 1.00 0.00 N ATOM 0 H HIS B 42 72.684 18.465 -4.859 1.00 0.00 H new ATOM 0 HA HIS B 42 72.045 20.769 -3.278 1.00 0.00 H new ATOM 0 HB2 HIS B 42 70.535 18.208 -3.976 1.00 0.00 H new ATOM 0 HB3 HIS B 42 69.800 19.549 -3.121 1.00 0.00 H new ATOM 0 HD2 HIS B 42 69.351 21.890 -4.722 1.00 0.00 H new ATOM 0 HE1 HIS B 42 70.567 20.154 -8.375 1.00 0.00 H new ATOM 0 HE2 HIS B 42 69.439 22.201 -7.334 1.00 0.00 H new ATOM 2141 N PHE B 43 72.456 17.912 -1.691 1.00 0.00 N ATOM 2142 CA PHE B 43 72.600 17.322 -0.324 1.00 0.00 C ATOM 2143 C PHE B 43 74.077 17.319 0.084 1.00 0.00 C ATOM 2144 O PHE B 43 74.422 16.925 1.181 1.00 0.00 O ATOM 2145 CB PHE B 43 72.106 15.873 -0.354 1.00 0.00 C ATOM 2146 CG PHE B 43 70.623 15.828 -0.641 1.00 0.00 C ATOM 2147 CD1 PHE B 43 70.168 15.751 -1.964 1.00 0.00 C ATOM 2148 CD2 PHE B 43 69.704 15.835 0.414 1.00 0.00 C ATOM 2149 CE1 PHE B 43 68.795 15.684 -2.230 1.00 0.00 C ATOM 2150 CE2 PHE B 43 68.331 15.771 0.149 1.00 0.00 C ATOM 2151 CZ PHE B 43 67.876 15.695 -1.174 1.00 0.00 C ATOM 0 H PHE B 43 72.660 17.272 -2.459 1.00 0.00 H new ATOM 0 HA PHE B 43 72.020 17.911 0.386 1.00 0.00 H new ATOM 0 HB2 PHE B 43 72.648 15.313 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE B 43 72.313 15.392 0.602 1.00 0.00 H new ATOM 0 HD1 PHE B 43 70.877 15.743 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE B 43 70.054 15.890 1.434 1.00 0.00 H new ATOM 0 HE1 PHE B 43 68.445 15.624 -3.250 1.00 0.00 H new ATOM 0 HE2 PHE B 43 67.623 15.780 0.964 1.00 0.00 H new ATOM 0 HZ PHE B 43 66.817 15.645 -1.379 1.00 0.00 H new ATOM 2161 N LEU B 44 74.951 17.757 -0.790 1.00 0.00 N ATOM 2162 CA LEU B 44 76.417 17.785 -0.471 1.00 0.00 C ATOM 2163 C LEU B 44 76.896 19.240 -0.412 1.00 0.00 C ATOM 2164 O LEU B 44 76.500 20.064 -1.211 1.00 0.00 O ATOM 2165 CB LEU B 44 77.195 17.043 -1.578 1.00 0.00 C ATOM 2166 CG LEU B 44 77.246 15.527 -1.306 1.00 0.00 C ATOM 2167 CD1 LEU B 44 78.234 15.209 -0.169 1.00 0.00 C ATOM 2168 CD2 LEU B 44 75.850 15.009 -0.940 1.00 0.00 C ATOM 0 H LEU B 44 74.711 18.100 -1.720 1.00 0.00 H new ATOM 0 HA LEU B 44 76.590 17.300 0.490 1.00 0.00 H new ATOM 0 HB2 LEU B 44 76.722 17.226 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU B 44 78.209 17.438 -1.640 1.00 0.00 H new ATOM 0 HG LEU B 44 77.588 15.029 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU B 44 78.254 14.133 0.006 1.00 0.00 H new ATOM 0 HD12 LEU B 44 79.231 15.550 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU B 44 77.918 15.719 0.741 1.00 0.00 H new ATOM 0 HD21 LEU B 44 75.898 13.937 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU B 44 75.495 15.521 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU B 44 75.163 15.201 -1.764 1.00 0.00 H new ATOM 2180 N GLU B 45 77.757 19.559 0.517 1.00 0.00 N ATOM 2181 CA GLU B 45 78.264 20.957 0.600 1.00 0.00 C ATOM 2182 C GLU B 45 79.227 21.199 -0.563 1.00 0.00 C ATOM 2183 O GLU B 45 79.885 20.292 -1.032 1.00 0.00 O ATOM 2184 CB GLU B 45 78.999 21.178 1.930 1.00 0.00 C ATOM 2185 CG GLU B 45 80.176 20.203 2.053 1.00 0.00 C ATOM 2186 CD GLU B 45 80.899 20.444 3.380 1.00 0.00 C ATOM 2187 OE1 GLU B 45 80.683 21.493 3.968 1.00 0.00 O ATOM 2188 OE2 GLU B 45 81.659 19.580 3.785 1.00 0.00 O ATOM 0 H GLU B 45 78.128 18.916 1.217 1.00 0.00 H new ATOM 0 HA GLU B 45 77.426 21.652 0.546 1.00 0.00 H new ATOM 0 HB2 GLU B 45 79.360 22.205 1.988 1.00 0.00 H new ATOM 0 HB3 GLU B 45 78.310 21.035 2.763 1.00 0.00 H new ATOM 0 HG2 GLU B 45 79.818 19.175 2.003 1.00 0.00 H new ATOM 0 HG3 GLU B 45 80.866 20.341 1.220 1.00 0.00 H new ATOM 2195 N GLU B 46 79.310 22.408 -1.041 1.00 0.00 N ATOM 2196 CA GLU B 46 80.226 22.689 -2.181 1.00 0.00 C ATOM 2197 C GLU B 46 81.671 22.428 -1.756 1.00 0.00 C ATOM 2198 O GLU B 46 82.080 22.781 -0.667 1.00 0.00 O ATOM 2199 CB GLU B 46 80.085 24.154 -2.592 1.00 0.00 C ATOM 2200 CG GLU B 46 78.712 24.381 -3.227 1.00 0.00 C ATOM 2201 CD GLU B 46 78.566 25.856 -3.604 1.00 0.00 C ATOM 2202 OE1 GLU B 46 79.438 26.629 -3.241 1.00 0.00 O ATOM 2203 OE2 GLU B 46 77.585 26.189 -4.249 1.00 0.00 O ATOM 0 H GLU B 46 78.786 23.211 -0.694 1.00 0.00 H new ATOM 0 HA GLU B 46 79.969 22.041 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU B 46 80.205 24.799 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU B 46 80.872 24.421 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU B 46 78.600 23.755 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU B 46 77.925 24.092 -2.531 1.00 0.00 H new ATOM 2210 N ILE B 47 82.451 21.824 -2.618 1.00 0.00 N ATOM 2211 CA ILE B 47 83.886 21.544 -2.292 1.00 0.00 C ATOM 2212 C ILE B 47 84.767 22.490 -3.107 1.00 0.00 C ATOM 2213 O ILE B 47 84.729 22.490 -4.321 1.00 0.00 O ATOM 2214 CB ILE B 47 84.217 20.092 -2.655 1.00 0.00 C ATOM 2215 CG1 ILE B 47 83.442 19.147 -1.729 1.00 0.00 C ATOM 2216 CG2 ILE B 47 85.723 19.853 -2.491 1.00 0.00 C ATOM 2217 CD1 ILE B 47 83.563 17.707 -2.236 1.00 0.00 C ATOM 0 H ILE B 47 82.153 21.510 -3.542 1.00 0.00 H new ATOM 0 HA ILE B 47 84.064 21.696 -1.228 1.00 0.00 H new ATOM 0 HB ILE B 47 83.932 19.901 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE B 47 83.831 19.218 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE B 47 82.393 19.441 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE B 47 85.958 18.820 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE B 47 86.272 20.526 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE B 47 86.011 20.043 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE B 47 83.010 17.040 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE B 47 83.152 17.640 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE B 47 84.613 17.414 -2.252 1.00 0.00 H new ATOM 2229 N LYS B 48 85.557 23.303 -2.450 1.00 0.00 N ATOM 2230 CA LYS B 48 86.442 24.263 -3.184 1.00 0.00 C ATOM 2231 C LYS B 48 87.887 23.754 -3.160 1.00 0.00 C ATOM 2232 O LYS B 48 88.654 24.011 -4.066 1.00 0.00 O ATOM 2233 CB LYS B 48 86.373 25.629 -2.493 1.00 0.00 C ATOM 2234 CG LYS B 48 87.113 26.669 -3.336 1.00 0.00 C ATOM 2235 CD LYS B 48 87.161 28.006 -2.586 1.00 0.00 C ATOM 2236 CE LYS B 48 85.757 28.615 -2.493 1.00 0.00 C ATOM 2237 NZ LYS B 48 85.874 30.079 -2.236 1.00 0.00 N ATOM 0 H LYS B 48 85.628 23.344 -1.433 1.00 0.00 H new ATOM 0 HA LYS B 48 86.110 24.351 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS B 48 85.333 25.928 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS B 48 86.818 25.568 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS B 48 88.125 26.325 -3.549 1.00 0.00 H new ATOM 0 HG3 LYS B 48 86.611 26.797 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS B 48 87.566 27.855 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS B 48 87.830 28.695 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS B 48 85.209 28.439 -3.419 1.00 0.00 H new ATOM 0 HE3 LYS B 48 85.192 28.137 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 84.924 30.497 -2.172 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 86.382 30.235 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 86.398 30.527 -3.015 1.00 0.00 H new ATOM 2251 N GLU B 49 88.262 23.038 -2.126 1.00 0.00 N ATOM 2252 CA GLU B 49 89.662 22.504 -2.025 1.00 0.00 C ATOM 2253 C GLU B 49 89.630 20.976 -1.928 1.00 0.00 C ATOM 2254 O GLU B 49 88.833 20.408 -1.210 1.00 0.00 O ATOM 2255 CB GLU B 49 90.326 23.063 -0.765 1.00 0.00 C ATOM 2256 CG GLU B 49 90.552 24.567 -0.921 1.00 0.00 C ATOM 2257 CD GLU B 49 91.217 25.113 0.345 1.00 0.00 C ATOM 2258 OE1 GLU B 49 91.292 24.377 1.315 1.00 0.00 O ATOM 2259 OE2 GLU B 49 91.639 26.257 0.323 1.00 0.00 O ATOM 0 H GLU B 49 87.655 22.798 -1.342 1.00 0.00 H new ATOM 0 HA GLU B 49 90.223 22.803 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU B 49 89.698 22.869 0.104 1.00 0.00 H new ATOM 0 HB3 GLU B 49 91.277 22.560 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU B 49 91.181 24.764 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU B 49 89.602 25.073 -1.094 1.00 0.00 H new ATOM 2266 N GLN B 50 90.507 20.305 -2.627 1.00 0.00 N ATOM 2267 CA GLN B 50 90.537 18.816 -2.548 1.00 0.00 C ATOM 2268 C GLN B 50 90.832 18.404 -1.103 1.00 0.00 C ATOM 2269 O GLN B 50 90.346 17.402 -0.621 1.00 0.00 O ATOM 2270 CB GLN B 50 91.618 18.260 -3.481 1.00 0.00 C ATOM 2271 CG GLN B 50 91.595 16.728 -3.433 1.00 0.00 C ATOM 2272 CD GLN B 50 92.662 16.166 -4.374 1.00 0.00 C ATOM 2273 OE1 GLN B 50 93.071 15.030 -4.240 1.00 0.00 O ATOM 2274 NE2 GLN B 50 93.127 16.916 -5.335 1.00 0.00 N ATOM 0 H GLN B 50 91.201 20.722 -3.247 1.00 0.00 H new ATOM 0 HA GLN B 50 89.573 18.413 -2.858 1.00 0.00 H new ATOM 0 HB2 GLN B 50 91.446 18.605 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN B 50 92.598 18.629 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN B 50 91.777 16.384 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN B 50 90.611 16.360 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN B 50 92.784 17.870 -5.449 1.00 0.00 H new ATOM 0 HE22 GLN B 50 93.833 16.548 -5.973 1.00 0.00 H new ATOM 2283 N GLU B 51 91.630 19.176 -0.409 1.00 0.00 N ATOM 2284 CA GLU B 51 91.958 18.833 1.012 1.00 0.00 C ATOM 2285 C GLU B 51 90.665 18.453 1.741 1.00 0.00 C ATOM 2286 O GLU B 51 90.660 17.639 2.642 1.00 0.00 O ATOM 2287 CB GLU B 51 92.602 20.032 1.712 1.00 0.00 C ATOM 2288 CG GLU B 51 94.011 20.259 1.161 1.00 0.00 C ATOM 2289 CD GLU B 51 94.643 21.458 1.868 1.00 0.00 C ATOM 2290 OE1 GLU B 51 93.929 22.144 2.581 1.00 0.00 O ATOM 2291 OE2 GLU B 51 95.830 21.669 1.687 1.00 0.00 O ATOM 0 H GLU B 51 92.068 20.027 -0.762 1.00 0.00 H new ATOM 0 HA GLU B 51 92.659 17.998 1.029 1.00 0.00 H new ATOM 0 HB2 GLU B 51 91.994 20.924 1.559 1.00 0.00 H new ATOM 0 HB3 GLU B 51 92.646 19.857 2.787 1.00 0.00 H new ATOM 0 HG2 GLU B 51 94.621 19.369 1.314 1.00 0.00 H new ATOM 0 HG3 GLU B 51 93.969 20.436 0.086 1.00 0.00 H new ATOM 2298 N VAL B 52 89.567 19.022 1.328 1.00 0.00 N ATOM 2299 CA VAL B 52 88.259 18.687 1.955 1.00 0.00 C ATOM 2300 C VAL B 52 87.880 17.252 1.572 1.00 0.00 C ATOM 2301 O VAL B 52 87.295 16.521 2.347 1.00 0.00 O ATOM 2302 CB VAL B 52 87.187 19.663 1.451 1.00 0.00 C ATOM 2303 CG1 VAL B 52 85.797 19.179 1.879 1.00 0.00 C ATOM 2304 CG2 VAL B 52 87.445 21.055 2.039 1.00 0.00 C ATOM 0 H VAL B 52 89.520 19.710 0.577 1.00 0.00 H new ATOM 0 HA VAL B 52 88.332 18.769 3.039 1.00 0.00 H new ATOM 0 HB VAL B 52 87.231 19.711 0.363 1.00 0.00 H new ATOM 0 HG11 VAL B 52 85.042 19.877 1.518 1.00 0.00 H new ATOM 0 HG12 VAL B 52 85.610 18.191 1.458 1.00 0.00 H new ATOM 0 HG13 VAL B 52 85.750 19.124 2.967 1.00 0.00 H new ATOM 0 HG21 VAL B 52 86.684 21.748 1.681 1.00 0.00 H new ATOM 0 HG22 VAL B 52 87.406 21.003 3.127 1.00 0.00 H new ATOM 0 HG23 VAL B 52 88.429 21.405 1.728 1.00 0.00 H new ATOM 2314 N VAL B 53 88.228 16.844 0.381 1.00 0.00 N ATOM 2315 CA VAL B 53 87.909 15.453 -0.052 1.00 0.00 C ATOM 2316 C VAL B 53 88.688 14.467 0.821 1.00 0.00 C ATOM 2317 O VAL B 53 88.159 13.472 1.275 1.00 0.00 O ATOM 2318 CB VAL B 53 88.300 15.254 -1.526 1.00 0.00 C ATOM 2319 CG1 VAL B 53 88.204 13.766 -1.895 1.00 0.00 C ATOM 2320 CG2 VAL B 53 87.356 16.061 -2.424 1.00 0.00 C ATOM 0 H VAL B 53 88.718 17.413 -0.309 1.00 0.00 H new ATOM 0 HA VAL B 53 86.838 15.279 0.055 1.00 0.00 H new ATOM 0 HB VAL B 53 89.324 15.597 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL B 53 88.482 13.632 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL B 53 88.880 13.190 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL B 53 87.182 13.419 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL B 53 87.636 15.918 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL B 53 86.331 15.721 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL B 53 87.429 17.119 -2.171 1.00 0.00 H new ATOM 2330 N ASP B 54 89.943 14.731 1.050 1.00 0.00 N ATOM 2331 CA ASP B 54 90.757 13.800 1.884 1.00 0.00 C ATOM 2332 C ASP B 54 90.150 13.685 3.278 1.00 0.00 C ATOM 2333 O ASP B 54 90.077 12.614 3.848 1.00 0.00 O ATOM 2334 CB ASP B 54 92.189 14.331 1.996 1.00 0.00 C ATOM 2335 CG ASP B 54 92.893 14.197 0.644 1.00 0.00 C ATOM 2336 OD1 ASP B 54 92.386 13.474 -0.198 1.00 0.00 O ATOM 2337 OD2 ASP B 54 93.932 14.815 0.476 1.00 0.00 O ATOM 0 H ASP B 54 90.441 15.548 0.698 1.00 0.00 H new ATOM 0 HA ASP B 54 90.767 12.817 1.414 1.00 0.00 H new ATOM 0 HB2 ASP B 54 92.177 15.375 2.309 1.00 0.00 H new ATOM 0 HB3 ASP B 54 92.735 13.776 2.758 1.00 0.00 H new ATOM 2342 N LYS B 55 89.705 14.775 3.832 1.00 0.00 N ATOM 2343 CA LYS B 55 89.094 14.713 5.188 1.00 0.00 C ATOM 2344 C LYS B 55 87.868 13.807 5.140 1.00 0.00 C ATOM 2345 O LYS B 55 87.689 12.939 5.970 1.00 0.00 O ATOM 2346 CB LYS B 55 88.674 16.115 5.636 1.00 0.00 C ATOM 2347 CG LYS B 55 88.147 16.054 7.073 1.00 0.00 C ATOM 2348 CD LYS B 55 87.726 17.454 7.524 1.00 0.00 C ATOM 2349 CE LYS B 55 87.204 17.388 8.961 1.00 0.00 C ATOM 2350 NZ LYS B 55 86.913 18.766 9.447 1.00 0.00 N ATOM 0 H LYS B 55 89.737 15.702 3.408 1.00 0.00 H new ATOM 0 HA LYS B 55 89.822 14.317 5.896 1.00 0.00 H new ATOM 0 HB2 LYS B 55 89.522 16.797 5.577 1.00 0.00 H new ATOM 0 HB3 LYS B 55 87.904 16.506 4.971 1.00 0.00 H new ATOM 0 HG2 LYS B 55 87.299 15.372 7.132 1.00 0.00 H new ATOM 0 HG3 LYS B 55 88.917 15.663 7.738 1.00 0.00 H new ATOM 0 HD2 LYS B 55 88.573 18.138 7.464 1.00 0.00 H new ATOM 0 HD3 LYS B 55 86.953 17.845 6.862 1.00 0.00 H new ATOM 0 HE2 LYS B 55 86.302 16.778 9.004 1.00 0.00 H new ATOM 0 HE3 LYS B 55 87.942 16.912 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 86.558 18.722 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 87.783 19.335 9.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 86.194 19.205 8.837 1.00 0.00 H new ATOM 2364 N VAL B 56 87.016 14.014 4.175 1.00 0.00 N ATOM 2365 CA VAL B 56 85.787 13.180 4.067 1.00 0.00 C ATOM 2366 C VAL B 56 86.173 11.730 3.774 1.00 0.00 C ATOM 2367 O VAL B 56 85.599 10.806 4.315 1.00 0.00 O ATOM 2368 CB VAL B 56 84.910 13.728 2.933 1.00 0.00 C ATOM 2369 CG1 VAL B 56 83.757 12.762 2.635 1.00 0.00 C ATOM 2370 CG2 VAL B 56 84.339 15.086 3.350 1.00 0.00 C ATOM 0 H VAL B 56 87.119 14.728 3.454 1.00 0.00 H new ATOM 0 HA VAL B 56 85.233 13.214 5.005 1.00 0.00 H new ATOM 0 HB VAL B 56 85.518 13.838 2.035 1.00 0.00 H new ATOM 0 HG11 VAL B 56 83.144 13.165 1.829 1.00 0.00 H new ATOM 0 HG12 VAL B 56 84.161 11.795 2.336 1.00 0.00 H new ATOM 0 HG13 VAL B 56 83.145 12.639 3.529 1.00 0.00 H new ATOM 0 HG21 VAL B 56 83.715 15.480 2.548 1.00 0.00 H new ATOM 0 HG22 VAL B 56 83.738 14.967 4.252 1.00 0.00 H new ATOM 0 HG23 VAL B 56 85.157 15.779 3.548 1.00 0.00 H new ATOM 2380 N MET B 57 87.138 11.519 2.923 1.00 0.00 N ATOM 2381 CA MET B 57 87.543 10.122 2.609 1.00 0.00 C ATOM 2382 C MET B 57 88.203 9.482 3.828 1.00 0.00 C ATOM 2383 O MET B 57 87.981 8.326 4.128 1.00 0.00 O ATOM 2384 CB MET B 57 88.513 10.114 1.430 1.00 0.00 C ATOM 2385 CG MET B 57 87.756 10.486 0.151 1.00 0.00 C ATOM 2386 SD MET B 57 88.835 10.261 -1.281 1.00 0.00 S ATOM 2387 CE MET B 57 88.509 8.498 -1.553 1.00 0.00 C ATOM 0 H MET B 57 87.660 12.247 2.435 1.00 0.00 H new ATOM 0 HA MET B 57 86.655 9.548 2.344 1.00 0.00 H new ATOM 0 HB2 MET B 57 89.323 10.821 1.606 1.00 0.00 H new ATOM 0 HB3 MET B 57 88.967 9.129 1.324 1.00 0.00 H new ATOM 0 HG2 MET B 57 86.866 9.865 0.050 1.00 0.00 H new ATOM 0 HG3 MET B 57 87.418 11.521 0.205 1.00 0.00 H new ATOM 0 HE1 MET B 57 89.060 8.157 -2.430 1.00 0.00 H new ATOM 0 HE2 MET B 57 88.829 7.930 -0.680 1.00 0.00 H new ATOM 0 HE3 MET B 57 87.442 8.346 -1.713 1.00 0.00 H new ATOM 2397 N GLU B 58 89.009 10.220 4.535 1.00 0.00 N ATOM 2398 CA GLU B 58 89.674 9.642 5.735 1.00 0.00 C ATOM 2399 C GLU B 58 88.607 9.187 6.732 1.00 0.00 C ATOM 2400 O GLU B 58 88.629 8.076 7.222 1.00 0.00 O ATOM 2401 CB GLU B 58 90.574 10.693 6.387 1.00 0.00 C ATOM 2402 CG GLU B 58 91.285 10.077 7.596 1.00 0.00 C ATOM 2403 CD GLU B 58 92.255 11.096 8.192 1.00 0.00 C ATOM 2404 OE1 GLU B 58 92.373 12.172 7.630 1.00 0.00 O ATOM 2405 OE2 GLU B 58 92.864 10.783 9.202 1.00 0.00 O ATOM 0 H GLU B 58 89.236 11.194 4.336 1.00 0.00 H new ATOM 0 HA GLU B 58 90.284 8.789 5.437 1.00 0.00 H new ATOM 0 HB2 GLU B 58 91.307 11.057 5.667 1.00 0.00 H new ATOM 0 HB3 GLU B 58 89.981 11.552 6.699 1.00 0.00 H new ATOM 0 HG2 GLU B 58 90.554 9.774 8.345 1.00 0.00 H new ATOM 0 HG3 GLU B 58 91.824 9.179 7.295 1.00 0.00 H new ATOM 2412 N THR B 59 87.672 10.044 7.031 1.00 0.00 N ATOM 2413 CA THR B 59 86.597 9.672 7.991 1.00 0.00 C ATOM 2414 C THR B 59 85.684 8.628 7.355 1.00 0.00 C ATOM 2415 O THR B 59 85.257 7.686 7.993 1.00 0.00 O ATOM 2416 CB THR B 59 85.777 10.918 8.342 1.00 0.00 C ATOM 2417 OG1 THR B 59 86.627 11.891 8.934 1.00 0.00 O ATOM 2418 CG2 THR B 59 84.653 10.550 9.316 1.00 0.00 C ATOM 0 H THR B 59 87.606 10.988 6.651 1.00 0.00 H new ATOM 0 HA THR B 59 87.044 9.260 8.896 1.00 0.00 H new ATOM 0 HB THR B 59 85.335 11.325 7.432 1.00 0.00 H new ATOM 0 HG1 THR B 59 86.104 12.689 9.158 1.00 0.00 H new ATOM 0 HG21 THR B 59 84.076 11.442 9.559 1.00 0.00 H new ATOM 0 HG22 THR B 59 83.999 9.810 8.854 1.00 0.00 H new ATOM 0 HG23 THR B 59 85.083 10.136 10.228 1.00 0.00 H new ATOM 2426 N LEU B 60 85.391 8.786 6.097 1.00 0.00 N ATOM 2427 CA LEU B 60 84.515 7.802 5.408 1.00 0.00 C ATOM 2428 C LEU B 60 85.275 6.483 5.250 1.00 0.00 C ATOM 2429 O LEU B 60 84.717 5.411 5.389 1.00 0.00 O ATOM 2430 CB LEU B 60 84.136 8.354 4.030 1.00 0.00 C ATOM 2431 CG LEU B 60 83.198 7.392 3.285 1.00 0.00 C ATOM 2432 CD1 LEU B 60 81.808 7.390 3.938 1.00 0.00 C ATOM 2433 CD2 LEU B 60 83.082 7.852 1.828 1.00 0.00 C ATOM 0 H LEU B 60 85.721 9.556 5.515 1.00 0.00 H new ATOM 0 HA LEU B 60 83.610 7.629 5.990 1.00 0.00 H new ATOM 0 HB2 LEU B 60 83.651 9.323 4.145 1.00 0.00 H new ATOM 0 HB3 LEU B 60 85.038 8.517 3.440 1.00 0.00 H new ATOM 0 HG LEU B 60 83.603 6.381 3.330 1.00 0.00 H new ATOM 0 HD11 LEU B 60 81.154 6.704 3.400 1.00 0.00 H new ATOM 0 HD12 LEU B 60 81.894 7.070 4.976 1.00 0.00 H new ATOM 0 HD13 LEU B 60 81.388 8.395 3.902 1.00 0.00 H new ATOM 0 HD21 LEU B 60 82.419 7.178 1.285 1.00 0.00 H new ATOM 0 HD22 LEU B 60 82.677 8.863 1.797 1.00 0.00 H new ATOM 0 HD23 LEU B 60 84.068 7.842 1.364 1.00 0.00 H new ATOM 2445 N ASP B 61 86.540 6.554 4.925 1.00 0.00 N ATOM 2446 CA ASP B 61 87.343 5.314 4.715 1.00 0.00 C ATOM 2447 C ASP B 61 87.675 4.644 6.050 1.00 0.00 C ATOM 2448 O ASP B 61 88.813 4.617 6.477 1.00 0.00 O ATOM 2449 CB ASP B 61 88.644 5.683 3.998 1.00 0.00 C ATOM 2450 CG ASP B 61 89.436 4.415 3.675 1.00 0.00 C ATOM 2451 OD1 ASP B 61 89.181 3.403 4.306 1.00 0.00 O ATOM 2452 OD2 ASP B 61 90.286 4.478 2.803 1.00 0.00 O ATOM 0 H ASP B 61 87.054 7.425 4.795 1.00 0.00 H new ATOM 0 HA ASP B 61 86.760 4.615 4.115 1.00 0.00 H new ATOM 0 HB2 ASP B 61 88.422 6.228 3.080 1.00 0.00 H new ATOM 0 HB3 ASP B 61 89.240 6.345 4.626 1.00 0.00 H new ATOM 2457 N GLU B 62 86.697 4.079 6.696 1.00 0.00 N ATOM 2458 CA GLU B 62 86.952 3.377 7.983 1.00 0.00 C ATOM 2459 C GLU B 62 87.735 2.098 7.683 1.00 0.00 C ATOM 2460 O GLU B 62 88.544 1.644 8.467 1.00 0.00 O ATOM 2461 CB GLU B 62 85.613 3.021 8.642 1.00 0.00 C ATOM 2462 CG GLU B 62 85.851 2.343 9.997 1.00 0.00 C ATOM 2463 CD GLU B 62 86.489 3.339 10.968 1.00 0.00 C ATOM 2464 OE1 GLU B 62 86.473 4.523 10.670 1.00 0.00 O ATOM 2465 OE2 GLU B 62 86.976 2.903 11.997 1.00 0.00 O ATOM 0 H GLU B 62 85.725 4.073 6.386 1.00 0.00 H new ATOM 0 HA GLU B 62 87.521 4.015 8.659 1.00 0.00 H new ATOM 0 HB2 GLU B 62 85.016 3.923 8.779 1.00 0.00 H new ATOM 0 HB3 GLU B 62 85.044 2.358 7.991 1.00 0.00 H new ATOM 0 HG2 GLU B 62 84.907 1.979 10.403 1.00 0.00 H new ATOM 0 HG3 GLU B 62 86.500 1.476 9.872 1.00 0.00 H new ATOM 2472 N ASP B 63 87.475 1.512 6.548 1.00 0.00 N ATOM 2473 CA ASP B 63 88.166 0.250 6.166 1.00 0.00 C ATOM 2474 C ASP B 63 89.676 0.457 6.098 1.00 0.00 C ATOM 2475 O ASP B 63 90.443 -0.401 6.487 1.00 0.00 O ATOM 2476 CB ASP B 63 87.669 -0.197 4.792 1.00 0.00 C ATOM 2477 CG ASP B 63 87.728 0.983 3.822 1.00 0.00 C ATOM 2478 OD1 ASP B 63 87.124 2.000 4.118 1.00 0.00 O ATOM 2479 OD2 ASP B 63 88.376 0.849 2.797 1.00 0.00 O ATOM 0 H ASP B 63 86.805 1.858 5.861 1.00 0.00 H new ATOM 0 HA ASP B 63 87.947 -0.507 6.919 1.00 0.00 H new ATOM 0 HB2 ASP B 63 88.282 -1.018 4.421 1.00 0.00 H new ATOM 0 HB3 ASP B 63 86.648 -0.570 4.866 1.00 0.00 H new ATOM 2484 N GLY B 64 90.120 1.569 5.584 1.00 0.00 N ATOM 2485 CA GLY B 64 91.585 1.793 5.471 1.00 0.00 C ATOM 2486 C GLY B 64 92.037 1.234 4.126 1.00 0.00 C ATOM 2487 O GLY B 64 92.421 0.086 4.012 1.00 0.00 O ATOM 0 H GLY B 64 89.534 2.329 5.239 1.00 0.00 H new ATOM 0 HA2 GLY B 64 91.816 2.856 5.540 1.00 0.00 H new ATOM 0 HA3 GLY B 64 92.112 1.298 6.287 1.00 0.00 H new ATOM 2491 N ASP B 65 92.001 2.044 3.112 1.00 0.00 N ATOM 2492 CA ASP B 65 92.434 1.579 1.767 1.00 0.00 C ATOM 2493 C ASP B 65 92.763 2.772 0.847 1.00 0.00 C ATOM 2494 O ASP B 65 93.406 2.613 -0.172 1.00 0.00 O ATOM 2495 CB ASP B 65 91.313 0.738 1.166 1.00 0.00 C ATOM 2496 CG ASP B 65 90.161 1.633 0.713 1.00 0.00 C ATOM 2497 OD1 ASP B 65 90.111 2.769 1.155 1.00 0.00 O ATOM 2498 OD2 ASP B 65 89.347 1.164 -0.065 1.00 0.00 O ATOM 0 H ASP B 65 91.689 3.014 3.155 1.00 0.00 H new ATOM 0 HA ASP B 65 93.341 0.982 1.864 1.00 0.00 H new ATOM 0 HB2 ASP B 65 91.693 0.166 0.319 1.00 0.00 H new ATOM 0 HB3 ASP B 65 90.955 0.018 1.902 1.00 0.00 H new ATOM 2503 N GLY B 66 92.332 3.963 1.187 1.00 0.00 N ATOM 2504 CA GLY B 66 92.630 5.141 0.318 1.00 0.00 C ATOM 2505 C GLY B 66 91.646 5.168 -0.853 1.00 0.00 C ATOM 2506 O GLY B 66 91.693 6.035 -1.703 1.00 0.00 O ATOM 0 H GLY B 66 91.789 4.168 2.026 1.00 0.00 H new ATOM 0 HA2 GLY B 66 92.551 6.062 0.895 1.00 0.00 H new ATOM 0 HA3 GLY B 66 93.653 5.084 -0.053 1.00 0.00 H new ATOM 2510 N GLU B 67 90.760 4.212 -0.899 1.00 0.00 N ATOM 2511 CA GLU B 67 89.759 4.140 -2.004 1.00 0.00 C ATOM 2512 C GLU B 67 88.412 3.715 -1.423 1.00 0.00 C ATOM 2513 O GLU B 67 88.335 3.254 -0.304 1.00 0.00 O ATOM 2514 CB GLU B 67 90.221 3.101 -3.026 1.00 0.00 C ATOM 2515 CG GLU B 67 91.542 3.553 -3.652 1.00 0.00 C ATOM 2516 CD GLU B 67 92.000 2.512 -4.672 1.00 0.00 C ATOM 2517 OE1 GLU B 67 91.412 1.445 -4.700 1.00 0.00 O ATOM 2518 OE2 GLU B 67 92.936 2.796 -5.401 1.00 0.00 O ATOM 0 H GLU B 67 90.685 3.466 -0.208 1.00 0.00 H new ATOM 0 HA GLU B 67 89.662 5.112 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU B 67 90.348 2.132 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU B 67 89.464 2.975 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU B 67 91.416 4.522 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU B 67 92.300 3.679 -2.879 1.00 0.00 H new ATOM 2525 N CYS B 68 87.343 3.853 -2.170 1.00 0.00 N ATOM 2526 CA CYS B 68 86.002 3.433 -1.649 1.00 0.00 C ATOM 2527 C CYS B 68 85.612 2.104 -2.302 1.00 0.00 C ATOM 2528 O CYS B 68 85.228 2.055 -3.454 1.00 0.00 O ATOM 2529 CB CYS B 68 84.961 4.499 -2.003 1.00 0.00 C ATOM 2530 SG CYS B 68 85.268 5.990 -1.024 1.00 0.00 S ATOM 0 H CYS B 68 87.340 4.237 -3.115 1.00 0.00 H new ATOM 0 HA CYS B 68 86.045 3.316 -0.566 1.00 0.00 H new ATOM 0 HB2 CYS B 68 85.011 4.733 -3.067 1.00 0.00 H new ATOM 0 HB3 CYS B 68 83.957 4.122 -1.806 1.00 0.00 H new ATOM 0 HG CYS B 68 84.191 6.718 -0.992 1.00 0.00 H new ATOM 2536 N ASP B 69 85.735 1.019 -1.585 1.00 0.00 N ATOM 2537 CA ASP B 69 85.397 -0.306 -2.177 1.00 0.00 C ATOM 2538 C ASP B 69 83.884 -0.436 -2.381 1.00 0.00 C ATOM 2539 O ASP B 69 83.116 0.442 -2.043 1.00 0.00 O ATOM 2540 CB ASP B 69 85.902 -1.425 -1.263 1.00 0.00 C ATOM 2541 CG ASP B 69 85.243 -1.309 0.110 1.00 0.00 C ATOM 2542 OD1 ASP B 69 85.351 -0.253 0.709 1.00 0.00 O ATOM 2543 OD2 ASP B 69 84.644 -2.279 0.539 1.00 0.00 O ATOM 0 H ASP B 69 86.054 0.994 -0.617 1.00 0.00 H new ATOM 0 HA ASP B 69 85.883 -0.389 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP B 69 85.677 -2.396 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP B 69 86.986 -1.364 -1.163 1.00 0.00 H new ATOM 2548 N PHE B 70 83.465 -1.535 -2.947 1.00 0.00 N ATOM 2549 CA PHE B 70 82.007 -1.742 -3.195 1.00 0.00 C ATOM 2550 C PHE B 70 81.240 -1.721 -1.869 1.00 0.00 C ATOM 2551 O PHE B 70 80.234 -1.055 -1.730 1.00 0.00 O ATOM 2552 CB PHE B 70 81.790 -3.092 -3.880 1.00 0.00 C ATOM 2553 CG PHE B 70 80.315 -3.294 -4.130 1.00 0.00 C ATOM 2554 CD1 PHE B 70 79.517 -3.919 -3.164 1.00 0.00 C ATOM 2555 CD2 PHE B 70 79.744 -2.853 -5.330 1.00 0.00 C ATOM 2556 CE1 PHE B 70 78.149 -4.104 -3.399 1.00 0.00 C ATOM 2557 CE2 PHE B 70 78.376 -3.039 -5.565 1.00 0.00 C ATOM 2558 CZ PHE B 70 77.579 -3.664 -4.599 1.00 0.00 C ATOM 0 H PHE B 70 84.069 -2.300 -3.249 1.00 0.00 H new ATOM 0 HA PHE B 70 81.641 -0.940 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE B 70 82.338 -3.127 -4.821 1.00 0.00 H new ATOM 0 HB3 PHE B 70 82.178 -3.896 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE B 70 79.957 -4.258 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE B 70 80.359 -2.369 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE B 70 77.534 -4.586 -2.654 1.00 0.00 H new ATOM 0 HE2 PHE B 70 77.936 -2.700 -6.491 1.00 0.00 H new ATOM 0 HZ PHE B 70 76.524 -3.807 -4.780 1.00 0.00 H new ATOM 2568 N GLN B 71 81.688 -2.476 -0.908 1.00 0.00 N ATOM 2569 CA GLN B 71 80.956 -2.523 0.390 1.00 0.00 C ATOM 2570 C GLN B 71 80.914 -1.117 0.996 1.00 0.00 C ATOM 2571 O GLN B 71 79.866 -0.625 1.355 1.00 0.00 O ATOM 2572 CB GLN B 71 81.655 -3.498 1.337 1.00 0.00 C ATOM 2573 CG GLN B 71 81.449 -4.926 0.826 1.00 0.00 C ATOM 2574 CD GLN B 71 82.324 -5.889 1.628 1.00 0.00 C ATOM 2575 OE1 GLN B 71 83.371 -5.515 2.117 1.00 0.00 O ATOM 2576 NE2 GLN B 71 81.937 -7.124 1.784 1.00 0.00 N ATOM 0 H GLN B 71 82.523 -3.059 -0.962 1.00 0.00 H new ATOM 0 HA GLN B 71 79.935 -2.869 0.230 1.00 0.00 H new ATOM 0 HB2 GLN B 71 82.719 -3.269 1.394 1.00 0.00 H new ATOM 0 HB3 GLN B 71 81.252 -3.397 2.345 1.00 0.00 H new ATOM 0 HG2 GLN B 71 80.400 -5.208 0.919 1.00 0.00 H new ATOM 0 HG3 GLN B 71 81.702 -4.984 -0.233 1.00 0.00 H new ATOM 0 HE21 GLN B 71 81.058 -7.439 1.374 1.00 0.00 H new ATOM 0 HE22 GLN B 71 82.513 -7.776 2.317 1.00 0.00 H new ATOM 2585 N GLU B 72 82.030 -0.454 1.115 1.00 0.00 N ATOM 2586 CA GLU B 72 81.999 0.920 1.696 1.00 0.00 C ATOM 2587 C GLU B 72 81.101 1.784 0.807 1.00 0.00 C ATOM 2588 O GLU B 72 80.297 2.564 1.277 1.00 0.00 O ATOM 2589 CB GLU B 72 83.420 1.494 1.718 1.00 0.00 C ATOM 2590 CG GLU B 72 83.408 2.906 2.311 1.00 0.00 C ATOM 2591 CD GLU B 72 84.834 3.460 2.325 1.00 0.00 C ATOM 2592 OE1 GLU B 72 85.749 2.696 2.066 1.00 0.00 O ATOM 2593 OE2 GLU B 72 84.986 4.640 2.592 1.00 0.00 O ATOM 0 H GLU B 72 82.951 -0.796 0.840 1.00 0.00 H new ATOM 0 HA GLU B 72 81.614 0.901 2.715 1.00 0.00 H new ATOM 0 HB2 GLU B 72 84.072 0.849 2.307 1.00 0.00 H new ATOM 0 HB3 GLU B 72 83.826 1.519 0.707 1.00 0.00 H new ATOM 0 HG2 GLU B 72 82.759 3.555 1.722 1.00 0.00 H new ATOM 0 HG3 GLU B 72 83.004 2.885 3.323 1.00 0.00 H new ATOM 2600 N PHE B 73 81.260 1.654 -0.480 1.00 0.00 N ATOM 2601 CA PHE B 73 80.434 2.476 -1.412 1.00 0.00 C ATOM 2602 C PHE B 73 78.970 2.400 -0.968 1.00 0.00 C ATOM 2603 O PHE B 73 78.262 3.386 -0.967 1.00 0.00 O ATOM 2604 CB PHE B 73 80.555 1.974 -2.849 1.00 0.00 C ATOM 2605 CG PHE B 73 79.692 2.848 -3.727 1.00 0.00 C ATOM 2606 CD1 PHE B 73 80.144 4.119 -4.098 1.00 0.00 C ATOM 2607 CD2 PHE B 73 78.436 2.401 -4.151 1.00 0.00 C ATOM 2608 CE1 PHE B 73 79.344 4.942 -4.897 1.00 0.00 C ATOM 2609 CE2 PHE B 73 77.632 3.225 -4.949 1.00 0.00 C ATOM 2610 CZ PHE B 73 78.087 4.495 -5.324 1.00 0.00 C ATOM 0 H PHE B 73 81.921 1.019 -0.927 1.00 0.00 H new ATOM 0 HA PHE B 73 80.792 3.505 -1.383 1.00 0.00 H new ATOM 0 HB2 PHE B 73 81.593 2.011 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE B 73 80.236 0.934 -2.917 1.00 0.00 H new ATOM 0 HD1 PHE B 73 81.112 4.465 -3.767 1.00 0.00 H new ATOM 0 HD2 PHE B 73 78.086 1.421 -3.863 1.00 0.00 H new ATOM 0 HE1 PHE B 73 79.695 5.922 -5.185 1.00 0.00 H new ATOM 0 HE2 PHE B 73 76.662 2.881 -5.275 1.00 0.00 H new ATOM 0 HZ PHE B 73 77.469 5.130 -5.942 1.00 0.00 H new ATOM 2620 N MET B 74 78.523 1.246 -0.555 1.00 0.00 N ATOM 2621 CA MET B 74 77.116 1.128 -0.074 1.00 0.00 C ATOM 2622 C MET B 74 76.948 2.009 1.169 1.00 0.00 C ATOM 2623 O MET B 74 75.886 2.535 1.435 1.00 0.00 O ATOM 2624 CB MET B 74 76.791 -0.334 0.272 1.00 0.00 C ATOM 2625 CG MET B 74 76.462 -1.118 -1.004 1.00 0.00 C ATOM 2626 SD MET B 74 74.728 -0.826 -1.446 1.00 0.00 S ATOM 2627 CE MET B 74 74.938 -0.728 -3.240 1.00 0.00 C ATOM 0 H MET B 74 79.067 0.384 -0.529 1.00 0.00 H new ATOM 0 HA MET B 74 76.433 1.454 -0.858 1.00 0.00 H new ATOM 0 HB2 MET B 74 77.639 -0.792 0.781 1.00 0.00 H new ATOM 0 HB3 MET B 74 75.947 -0.374 0.960 1.00 0.00 H new ATOM 0 HG2 MET B 74 77.116 -0.804 -1.818 1.00 0.00 H new ATOM 0 HG3 MET B 74 76.636 -2.182 -0.847 1.00 0.00 H new ATOM 0 HE1 MET B 74 73.960 -0.727 -3.721 1.00 0.00 H new ATOM 0 HE2 MET B 74 75.468 0.190 -3.495 1.00 0.00 H new ATOM 0 HE3 MET B 74 75.512 -1.587 -3.587 1.00 0.00 H new ATOM 2637 N ALA B 75 78.003 2.186 1.924 1.00 0.00 N ATOM 2638 CA ALA B 75 77.914 3.052 3.136 1.00 0.00 C ATOM 2639 C ALA B 75 77.611 4.483 2.689 1.00 0.00 C ATOM 2640 O ALA B 75 76.658 5.097 3.124 1.00 0.00 O ATOM 2641 CB ALA B 75 79.245 3.015 3.896 1.00 0.00 C ATOM 0 H ALA B 75 78.918 1.769 1.753 1.00 0.00 H new ATOM 0 HA ALA B 75 77.124 2.693 3.795 1.00 0.00 H new ATOM 0 HB1 ALA B 75 79.177 3.648 4.780 1.00 0.00 H new ATOM 0 HB2 ALA B 75 79.463 1.991 4.199 1.00 0.00 H new ATOM 0 HB3 ALA B 75 80.043 3.379 3.250 1.00 0.00 H new ATOM 2647 N PHE B 76 78.431 5.015 1.828 1.00 0.00 N ATOM 2648 CA PHE B 76 78.209 6.410 1.352 1.00 0.00 C ATOM 2649 C PHE B 76 76.801 6.496 0.773 1.00 0.00 C ATOM 2650 O PHE B 76 76.077 7.445 0.997 1.00 0.00 O ATOM 2651 CB PHE B 76 79.214 6.750 0.253 1.00 0.00 C ATOM 2652 CG PHE B 76 79.053 8.200 -0.133 1.00 0.00 C ATOM 2653 CD1 PHE B 76 78.143 8.568 -1.133 1.00 0.00 C ATOM 2654 CD2 PHE B 76 79.816 9.178 0.512 1.00 0.00 C ATOM 2655 CE1 PHE B 76 77.999 9.916 -1.485 1.00 0.00 C ATOM 2656 CE2 PHE B 76 79.674 10.524 0.161 1.00 0.00 C ATOM 2657 CZ PHE B 76 78.765 10.894 -0.838 1.00 0.00 C ATOM 0 H PHE B 76 79.246 4.545 1.433 1.00 0.00 H new ATOM 0 HA PHE B 76 78.333 7.108 2.180 1.00 0.00 H new ATOM 0 HB2 PHE B 76 80.230 6.565 0.602 1.00 0.00 H new ATOM 0 HB3 PHE B 76 79.053 6.110 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE B 76 77.553 7.813 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE B 76 80.517 8.893 1.283 1.00 0.00 H new ATOM 0 HE1 PHE B 76 77.298 10.201 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE B 76 80.265 11.278 0.660 1.00 0.00 H new ATOM 0 HZ PHE B 76 78.655 11.933 -1.110 1.00 0.00 H new ATOM 2667 N VAL B 77 76.403 5.491 0.052 1.00 0.00 N ATOM 2668 CA VAL B 77 75.031 5.494 -0.514 1.00 0.00 C ATOM 2669 C VAL B 77 74.050 5.522 0.660 1.00 0.00 C ATOM 2670 O VAL B 77 73.096 6.275 0.673 1.00 0.00 O ATOM 2671 CB VAL B 77 74.815 4.232 -1.353 1.00 0.00 C ATOM 2672 CG1 VAL B 77 73.340 4.114 -1.746 1.00 0.00 C ATOM 2673 CG2 VAL B 77 75.675 4.315 -2.616 1.00 0.00 C ATOM 0 H VAL B 77 76.966 4.670 -0.170 1.00 0.00 H new ATOM 0 HA VAL B 77 74.879 6.360 -1.158 1.00 0.00 H new ATOM 0 HB VAL B 77 75.099 3.356 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.193 3.214 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL B 77 72.727 4.057 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL B 77 73.048 4.987 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.525 3.419 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL B 77 75.388 5.193 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.726 4.393 -2.336 1.00 0.00 H new ATOM 2683 N SER B 78 74.292 4.705 1.654 1.00 0.00 N ATOM 2684 CA SER B 78 73.393 4.676 2.842 1.00 0.00 C ATOM 2685 C SER B 78 73.528 5.978 3.636 1.00 0.00 C ATOM 2686 O SER B 78 72.553 6.540 4.083 1.00 0.00 O ATOM 2687 CB SER B 78 73.780 3.500 3.741 1.00 0.00 C ATOM 2688 OG SER B 78 75.036 3.769 4.350 1.00 0.00 O ATOM 0 H SER B 78 75.077 4.055 1.692 1.00 0.00 H new ATOM 0 HA SER B 78 72.362 4.565 2.505 1.00 0.00 H new ATOM 0 HB2 SER B 78 73.018 3.345 4.505 1.00 0.00 H new ATOM 0 HB3 SER B 78 73.836 2.582 3.155 1.00 0.00 H new ATOM 0 HG SER B 78 75.590 4.297 3.738 1.00 0.00 H new ATOM 2694 N MET B 79 74.731 6.440 3.846 1.00 0.00 N ATOM 2695 CA MET B 79 74.920 7.684 4.655 1.00 0.00 C ATOM 2696 C MET B 79 74.141 8.832 4.018 1.00 0.00 C ATOM 2697 O MET B 79 73.515 9.618 4.697 1.00 0.00 O ATOM 2698 CB MET B 79 76.410 8.042 4.691 1.00 0.00 C ATOM 2699 CG MET B 79 77.175 7.021 5.542 1.00 0.00 C ATOM 2700 SD MET B 79 76.965 7.407 7.299 1.00 0.00 S ATOM 2701 CE MET B 79 78.323 8.599 7.438 1.00 0.00 C ATOM 0 H MET B 79 75.589 6.014 3.495 1.00 0.00 H new ATOM 0 HA MET B 79 74.556 7.517 5.669 1.00 0.00 H new ATOM 0 HB2 MET B 79 76.813 8.058 3.678 1.00 0.00 H new ATOM 0 HB3 MET B 79 76.542 9.043 5.103 1.00 0.00 H new ATOM 0 HG2 MET B 79 76.810 6.015 5.335 1.00 0.00 H new ATOM 0 HG3 MET B 79 78.233 7.036 5.281 1.00 0.00 H new ATOM 0 HE1 MET B 79 78.376 8.972 8.461 1.00 0.00 H new ATOM 0 HE2 MET B 79 79.263 8.111 7.180 1.00 0.00 H new ATOM 0 HE3 MET B 79 78.147 9.432 6.757 1.00 0.00 H new ATOM 2711 N VAL B 80 74.147 8.922 2.724 1.00 0.00 N ATOM 2712 CA VAL B 80 73.376 10.006 2.059 1.00 0.00 C ATOM 2713 C VAL B 80 71.889 9.770 2.336 1.00 0.00 C ATOM 2714 O VAL B 80 71.098 10.688 2.415 1.00 0.00 O ATOM 2715 CB VAL B 80 73.643 9.987 0.553 1.00 0.00 C ATOM 2716 CG1 VAL B 80 72.714 10.988 -0.140 1.00 0.00 C ATOM 2717 CG2 VAL B 80 75.100 10.378 0.290 1.00 0.00 C ATOM 0 H VAL B 80 74.650 8.295 2.096 1.00 0.00 H new ATOM 0 HA VAL B 80 73.678 10.979 2.446 1.00 0.00 H new ATOM 0 HB VAL B 80 73.458 8.987 0.162 1.00 0.00 H new ATOM 0 HG11 VAL B 80 72.902 10.976 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL B 80 71.676 10.713 0.049 1.00 0.00 H new ATOM 0 HG13 VAL B 80 72.901 11.988 0.250 1.00 0.00 H new ATOM 0 HG21 VAL B 80 75.292 10.365 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL B 80 75.284 11.379 0.680 1.00 0.00 H new ATOM 0 HG23 VAL B 80 75.762 9.668 0.786 1.00 0.00 H new ATOM 2727 N THR B 81 71.524 8.530 2.528 1.00 0.00 N ATOM 2728 CA THR B 81 70.106 8.199 2.853 1.00 0.00 C ATOM 2729 C THR B 81 69.898 8.361 4.363 1.00 0.00 C ATOM 2730 O THR B 81 68.919 8.920 4.819 1.00 0.00 O ATOM 2731 CB THR B 81 69.811 6.752 2.447 1.00 0.00 C ATOM 2732 OG1 THR B 81 70.207 6.550 1.098 1.00 0.00 O ATOM 2733 CG2 THR B 81 68.314 6.475 2.586 1.00 0.00 C ATOM 0 H THR B 81 72.151 7.728 2.473 1.00 0.00 H new ATOM 0 HA THR B 81 69.435 8.865 2.311 1.00 0.00 H new ATOM 0 HB THR B 81 70.365 6.074 3.095 1.00 0.00 H new ATOM 0 HG1 THR B 81 71.183 6.471 1.052 1.00 0.00 H new ATOM 0 HG21 THR B 81 68.106 5.445 2.297 1.00 0.00 H new ATOM 0 HG22 THR B 81 68.010 6.629 3.621 1.00 0.00 H new ATOM 0 HG23 THR B 81 67.757 7.153 1.939 1.00 0.00 H new ATOM 2741 N THR B 82 70.825 7.860 5.135 1.00 0.00 N ATOM 2742 CA THR B 82 70.731 7.947 6.622 1.00 0.00 C ATOM 2743 C THR B 82 71.019 9.386 7.076 1.00 0.00 C ATOM 2744 O THR B 82 70.697 9.772 8.182 1.00 0.00 O ATOM 2745 CB THR B 82 71.762 6.986 7.241 1.00 0.00 C ATOM 2746 OG1 THR B 82 71.801 5.791 6.474 1.00 0.00 O ATOM 2747 CG2 THR B 82 71.373 6.639 8.684 1.00 0.00 C ATOM 0 H THR B 82 71.659 7.385 4.791 1.00 0.00 H new ATOM 0 HA THR B 82 69.728 7.670 6.947 1.00 0.00 H new ATOM 0 HB THR B 82 72.739 7.469 7.243 1.00 0.00 H new ATOM 0 HG1 THR B 82 72.425 5.902 5.727 1.00 0.00 H new ATOM 0 HG21 THR B 82 72.112 5.959 9.107 1.00 0.00 H new ATOM 0 HG22 THR B 82 71.336 7.551 9.280 1.00 0.00 H new ATOM 0 HG23 THR B 82 70.394 6.161 8.692 1.00 0.00 H new ATOM 2755 N ALA B 83 71.625 10.179 6.231 1.00 0.00 N ATOM 2756 CA ALA B 83 71.934 11.590 6.617 1.00 0.00 C ATOM 2757 C ALA B 83 70.717 12.482 6.357 1.00 0.00 C ATOM 2758 O ALA B 83 70.338 13.284 7.186 1.00 0.00 O ATOM 2759 CB ALA B 83 73.118 12.103 5.794 1.00 0.00 C ATOM 0 H ALA B 83 71.919 9.912 5.292 1.00 0.00 H new ATOM 0 HA ALA B 83 72.184 11.619 7.677 1.00 0.00 H new ATOM 0 HB1 ALA B 83 73.340 13.132 6.078 1.00 0.00 H new ATOM 0 HB2 ALA B 83 73.991 11.478 5.983 1.00 0.00 H new ATOM 0 HB3 ALA B 83 72.868 12.065 4.734 1.00 0.00 H new ATOM 2765 N CYS B 84 70.118 12.366 5.204 1.00 0.00 N ATOM 2766 CA CYS B 84 68.941 13.226 4.883 1.00 0.00 C ATOM 2767 C CYS B 84 67.737 12.832 5.743 1.00 0.00 C ATOM 2768 O CYS B 84 67.395 11.673 5.863 1.00 0.00 O ATOM 2769 CB CYS B 84 68.581 13.061 3.405 1.00 0.00 C ATOM 2770 SG CYS B 84 67.935 11.394 3.124 1.00 0.00 S ATOM 0 H CYS B 84 70.392 11.713 4.469 1.00 0.00 H new ATOM 0 HA CYS B 84 69.198 14.264 5.092 1.00 0.00 H new ATOM 0 HB2 CYS B 84 67.838 13.804 3.116 1.00 0.00 H new ATOM 0 HB3 CYS B 84 69.461 13.231 2.784 1.00 0.00 H new ATOM 0 HG CYS B 84 67.523 10.893 4.250 1.00 0.00 H new