USER MOD reduce.3.24.130724 H: found=0, std=0, add=1162, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1038 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: B 28 ASN : amide:sc= -0.414 K(o=-0.23,f=-1.5) USER MOD Set 1.2: B 78 HIS : no HE2:sc= 0.184 K(o=-0.23,f=-1.5!) USER MOD Set 2.1: A 28 ASN : amide:sc= -0.426 K(o=-0.27,f=-1.4) USER MOD Set 2.2: A 78 HIS : no HE2:sc= 0.156 K(o=-0.27,f=-1.4!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -178:sc= 0 (180deg=-0.00238) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 79:sc= 0.973 USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 1.72 (180deg=1.41) USER MOD Single : A 29 TYR OH : rot 165:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 38:sc= 0.301 USER MOD Single : A 48 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.24) USER MOD Single : A 51 MET CE :methyl 152:sc= -2.4! (180deg=-3.49!) USER MOD Single : A 53 CYS SG : rot -82:sc= -5.14! USER MOD Single : A 55 SER OG : rot -64:sc= 1.23 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 1.97 (180deg=1.74) USER MOD Single : A 72 SER OG : rot -18:sc= 0.292 USER MOD Single : A 75 LYS NZ :NH3+ -134:sc= 1.35 (180deg=-1.54!) USER MOD Single : A 77 GLN : amide:sc= -0.799 K(o=-0.8,f=-5!) USER MOD Single : A 84 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 23:sc= 1.28 USER MOD Single : A 92 SER OG : rot 51:sc= 0.18 USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 78:sc= 1.07 USER MOD Single : B 19 LYS NZ :NH3+ -173:sc= 1.66 (180deg=1.53) USER MOD Single : B 29 TYR OH : rot 165:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot 39:sc= 0.292 USER MOD Single : B 48 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.21) USER MOD Single : B 51 MET CE :methyl 150:sc= -2.42! (180deg=-3.54!) USER MOD Single : B 53 CYS SG : rot -82:sc= -5.16! USER MOD Single : B 55 SER OG : rot -78:sc= 1.26 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 175:sc= 1.94 (180deg=1.72) USER MOD Single : B 72 SER OG : rot -17:sc= 0.304 USER MOD Single : B 75 LYS NZ :NH3+ -134:sc= 1.31 (180deg=-1.71!) USER MOD Single : B 77 GLN : amide:sc= -0.833 K(o=-0.83,f=-4.9!) USER MOD Single : B 84 ASN : amide:sc= -0.463 K(o=-0.46,f=-1.2) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 87 SER OG : rot 12:sc= 1.22 USER MOD Single : B 92 SER OG : rot 51:sc= 0.194 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 14 -14.133 -12.894 4.122 1.00 4.47 N ATOM 2 CA MET A 14 -15.149 -11.886 4.513 1.00 3.81 C ATOM 3 C MET A 14 -14.514 -10.739 5.300 1.00 2.82 C ATOM 4 O MET A 14 -14.426 -10.786 6.527 1.00 2.99 O ATOM 5 CB MET A 14 -16.272 -12.547 5.328 1.00 4.50 C ATOM 6 CG MET A 14 -15.782 -13.370 6.510 1.00 5.02 C ATOM 7 SD MET A 14 -17.128 -14.136 7.434 1.00 5.80 S ATOM 8 CE MET A 14 -16.210 -14.991 8.712 1.00 6.45 C ATOM 0 HA MET A 14 -15.579 -11.468 3.603 1.00 3.81 H new ATOM 0 HB2 MET A 14 -16.945 -11.772 5.693 1.00 4.50 H new ATOM 0 HB3 MET A 14 -16.855 -13.190 4.668 1.00 4.50 H new ATOM 0 HG2 MET A 14 -15.106 -14.146 6.151 1.00 5.02 H new ATOM 0 HG3 MET A 14 -15.206 -12.730 7.179 1.00 5.02 H new ATOM 0 HE1 MET A 14 -16.904 -15.516 9.369 1.00 6.45 H new ATOM 0 HE2 MET A 14 -15.530 -15.709 8.253 1.00 6.45 H new ATOM 0 HE3 MET A 14 -15.636 -14.269 9.293 1.00 6.45 H new ATOM 20 N MET A 15 -14.056 -9.716 4.574 1.00 2.12 N ATOM 21 CA MET A 15 -13.442 -8.529 5.172 1.00 1.95 C ATOM 22 C MET A 15 -12.156 -8.878 5.914 1.00 1.69 C ATOM 23 O MET A 15 -11.661 -10.004 5.831 1.00 2.48 O ATOM 24 CB MET A 15 -14.416 -7.830 6.126 1.00 2.52 C ATOM 25 CG MET A 15 -15.596 -7.170 5.437 1.00 3.07 C ATOM 26 SD MET A 15 -16.671 -6.297 6.591 1.00 3.93 S ATOM 27 CE MET A 15 -17.938 -5.698 5.475 1.00 4.73 C ATOM 0 H MET A 15 -14.101 -9.688 3.555 1.00 2.12 H new ATOM 0 HA MET A 15 -13.195 -7.850 4.356 1.00 1.95 H new ATOM 0 HB2 MET A 15 -14.791 -8.560 6.844 1.00 2.52 H new ATOM 0 HB3 MET A 15 -13.872 -7.075 6.693 1.00 2.52 H new ATOM 0 HG2 MET A 15 -15.229 -6.470 4.687 1.00 3.07 H new ATOM 0 HG3 MET A 15 -16.175 -7.928 4.909 1.00 3.07 H new ATOM 0 HE1 MET A 15 -18.663 -5.105 6.032 1.00 4.73 H new ATOM 0 HE2 MET A 15 -17.480 -5.080 4.703 1.00 4.73 H new ATOM 0 HE3 MET A 15 -18.443 -6.545 5.010 1.00 4.73 H new ATOM 37 N SER A 16 -11.622 -7.885 6.615 1.00 1.19 N ATOM 38 CA SER A 16 -10.436 -8.047 7.451 1.00 1.17 C ATOM 39 C SER A 16 -9.247 -8.588 6.660 1.00 1.05 C ATOM 40 O SER A 16 -8.925 -9.778 6.721 1.00 1.91 O ATOM 41 CB SER A 16 -10.737 -8.965 8.636 1.00 1.62 C ATOM 42 OG SER A 16 -11.856 -8.493 9.373 1.00 2.01 O ATOM 0 H SER A 16 -12.001 -6.938 6.620 1.00 1.19 H new ATOM 0 HA SER A 16 -10.166 -7.058 7.821 1.00 1.17 H new ATOM 0 HB2 SER A 16 -10.933 -9.976 8.277 1.00 1.62 H new ATOM 0 HB3 SER A 16 -9.865 -9.022 9.288 1.00 1.62 H new ATOM 0 HG SER A 16 -12.031 -9.097 10.125 1.00 2.01 H new ATOM 48 N ALA A 17 -8.600 -7.713 5.910 1.00 0.93 N ATOM 49 CA ALA A 17 -7.377 -8.075 5.219 1.00 0.81 C ATOM 50 C ALA A 17 -6.244 -8.212 6.226 1.00 0.69 C ATOM 51 O ALA A 17 -6.007 -7.309 7.027 1.00 0.70 O ATOM 52 CB ALA A 17 -7.038 -7.037 4.164 1.00 1.09 C ATOM 0 H ALA A 17 -8.901 -6.749 5.765 1.00 0.93 H new ATOM 0 HA ALA A 17 -7.518 -9.032 4.716 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.118 -7.323 3.655 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -7.850 -6.976 3.439 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -6.902 -6.066 4.640 1.00 1.09 H new ATOM 58 N SER A 18 -5.570 -9.350 6.211 1.00 0.64 N ATOM 59 CA SER A 18 -4.488 -9.599 7.150 1.00 0.61 C ATOM 60 C SER A 18 -3.236 -8.831 6.725 1.00 0.50 C ATOM 61 O SER A 18 -3.163 -8.363 5.588 1.00 0.45 O ATOM 62 CB SER A 18 -4.195 -11.099 7.216 1.00 0.66 C ATOM 63 OG SER A 18 -5.401 -11.845 7.300 1.00 1.32 O ATOM 0 H SER A 18 -5.752 -10.115 5.561 1.00 0.64 H new ATOM 0 HA SER A 18 -4.787 -9.254 8.140 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.634 -11.404 6.332 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.568 -11.314 8.081 1.00 0.66 H new ATOM 0 HG SER A 18 -5.811 -11.905 6.412 1.00 1.32 H new ATOM 69 N LYS A 19 -2.262 -8.709 7.624 1.00 0.50 N ATOM 70 CA LYS A 19 -1.034 -7.954 7.342 1.00 0.43 C ATOM 71 C LYS A 19 -0.401 -8.391 6.021 1.00 0.34 C ATOM 72 O LYS A 19 -0.164 -7.569 5.132 1.00 0.28 O ATOM 73 CB LYS A 19 -0.023 -8.136 8.478 1.00 0.54 C ATOM 74 CG LYS A 19 -0.499 -7.606 9.819 1.00 0.84 C ATOM 75 CD LYS A 19 0.508 -7.898 10.919 1.00 1.12 C ATOM 76 CE LYS A 19 0.026 -7.384 12.266 1.00 1.73 C ATOM 77 NZ LYS A 19 0.979 -7.708 13.362 1.00 2.10 N ATOM 0 H LYS A 19 -2.295 -9.122 8.556 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.307 -6.902 7.262 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.207 -9.197 8.579 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.905 -7.632 8.209 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.663 -6.531 9.750 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -1.458 -8.059 10.072 1.00 0.84 H new ATOM 0 HD2 LYS A 19 0.681 -8.972 10.979 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.463 -7.434 10.672 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -0.112 -6.304 12.213 1.00 1.73 H new ATOM 0 HE3 LYS A 19 -0.948 -7.819 12.492 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 0.552 -7.462 14.278 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 1.196 -8.725 13.344 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 1.856 -7.164 13.232 1.00 2.10 H new ATOM 91 N GLU A 20 -0.154 -9.692 5.900 1.00 0.41 N ATOM 92 CA GLU A 20 0.445 -10.266 4.696 1.00 0.41 C ATOM 93 C GLU A 20 -0.394 -9.970 3.455 1.00 0.34 C ATOM 94 O GLU A 20 0.138 -9.743 2.372 1.00 0.30 O ATOM 95 CB GLU A 20 0.599 -11.783 4.861 1.00 0.57 C ATOM 96 CG GLU A 20 -0.704 -12.485 5.218 1.00 0.64 C ATOM 97 CD GLU A 20 -0.577 -13.992 5.272 1.00 0.95 C ATOM 98 OE1 GLU A 20 0.269 -14.499 6.036 1.00 1.49 O ATOM 99 OE2 GLU A 20 -1.352 -14.683 4.576 1.00 1.57 O ATOM 0 H GLU A 20 -0.361 -10.376 6.628 1.00 0.41 H new ATOM 0 HA GLU A 20 1.424 -9.807 4.561 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.989 -12.205 3.934 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.337 -11.984 5.638 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.051 -12.122 6.185 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.465 -12.218 4.485 1.00 0.64 H new ATOM 106 N GLU A 21 -1.707 -9.949 3.634 1.00 0.37 N ATOM 107 CA GLU A 21 -2.638 -9.799 2.526 1.00 0.39 C ATOM 108 C GLU A 21 -2.691 -8.350 2.058 1.00 0.32 C ATOM 109 O GLU A 21 -2.804 -8.076 0.863 1.00 0.34 O ATOM 110 CB GLU A 21 -4.019 -10.289 2.958 1.00 0.50 C ATOM 111 CG GLU A 21 -3.994 -11.716 3.490 1.00 0.61 C ATOM 112 CD GLU A 21 -5.357 -12.239 3.892 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.088 -11.529 4.620 1.00 1.54 O ATOM 114 OE2 GLU A 21 -5.698 -13.372 3.493 1.00 1.49 O ATOM 0 H GLU A 21 -2.155 -10.035 4.546 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.297 -10.401 1.684 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.412 -9.625 3.728 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -4.702 -10.233 2.110 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -3.573 -12.371 2.727 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.328 -11.762 4.352 1.00 0.61 H new ATOM 121 N ILE A 22 -2.596 -7.427 3.007 1.00 0.30 N ATOM 122 CA ILE A 22 -2.513 -6.011 2.689 1.00 0.28 C ATOM 123 C ILE A 22 -1.218 -5.727 1.941 1.00 0.24 C ATOM 124 O ILE A 22 -1.222 -5.102 0.880 1.00 0.26 O ATOM 125 CB ILE A 22 -2.562 -5.145 3.965 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.886 -5.366 4.697 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.371 -3.671 3.620 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.927 -4.763 6.083 1.00 0.44 C ATOM 0 H ILE A 22 -2.575 -7.637 4.005 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.370 -5.756 2.065 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.747 -5.444 4.625 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.694 -4.941 4.102 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.075 -6.437 4.771 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.409 -3.076 4.532 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.404 -3.533 3.136 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.164 -3.350 2.944 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.898 -4.962 6.538 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -3.142 -5.206 6.696 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.771 -3.686 6.016 1.00 0.44 H new ATOM 135 N ALA A 23 -0.113 -6.218 2.497 1.00 0.20 N ATOM 136 CA ALA A 23 1.203 -6.031 1.901 1.00 0.19 C ATOM 137 C ALA A 23 1.265 -6.642 0.510 1.00 0.20 C ATOM 138 O ALA A 23 1.921 -6.104 -0.383 1.00 0.20 O ATOM 139 CB ALA A 23 2.275 -6.637 2.788 1.00 0.20 C ATOM 0 H ALA A 23 -0.106 -6.752 3.366 1.00 0.20 H new ATOM 0 HA ALA A 23 1.383 -4.960 1.810 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.253 -6.489 2.330 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.255 -6.153 3.765 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.088 -7.704 2.908 1.00 0.20 H new ATOM 145 N ALA A 24 0.576 -7.765 0.334 1.00 0.22 N ATOM 146 CA ALA A 24 0.500 -8.427 -0.958 1.00 0.25 C ATOM 147 C ALA A 24 -0.065 -7.483 -2.015 1.00 0.24 C ATOM 148 O ALA A 24 0.457 -7.398 -3.122 1.00 0.25 O ATOM 149 CB ALA A 24 -0.346 -9.685 -0.858 1.00 0.31 C ATOM 0 H ALA A 24 0.060 -8.236 1.077 1.00 0.22 H new ATOM 0 HA ALA A 24 1.508 -8.711 -1.260 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.394 -10.170 -1.833 1.00 0.31 H new ATOM 0 HB2 ALA A 24 0.101 -10.367 -0.135 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.353 -9.422 -0.534 1.00 0.31 H new ATOM 155 N LEU A 25 -1.116 -6.758 -1.658 1.00 0.23 N ATOM 156 CA LEU A 25 -1.714 -5.787 -2.566 1.00 0.23 C ATOM 157 C LEU A 25 -0.805 -4.585 -2.758 1.00 0.22 C ATOM 158 O LEU A 25 -0.753 -4.002 -3.842 1.00 0.25 O ATOM 159 CB LEU A 25 -3.064 -5.318 -2.042 1.00 0.26 C ATOM 160 CG LEU A 25 -4.213 -6.295 -2.231 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.456 -5.753 -1.564 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.471 -6.542 -3.711 1.00 0.44 C ATOM 0 H LEU A 25 -1.572 -6.823 -0.748 1.00 0.23 H new ATOM 0 HA LEU A 25 -1.853 -6.282 -3.527 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -2.966 -5.100 -0.978 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.321 -4.381 -2.537 1.00 0.26 H new ATOM 0 HG LEU A 25 -3.945 -7.246 -1.770 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.278 -6.455 -1.701 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.268 -5.618 -0.499 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.720 -4.794 -2.010 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.297 -7.244 -3.824 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -4.725 -5.601 -4.198 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.575 -6.958 -4.172 1.00 0.44 H new ATOM 174 N ILE A 26 -0.097 -4.216 -1.702 1.00 0.21 N ATOM 175 CA ILE A 26 0.819 -3.089 -1.753 1.00 0.22 C ATOM 176 C ILE A 26 1.925 -3.340 -2.776 1.00 0.20 C ATOM 177 O ILE A 26 2.167 -2.511 -3.656 1.00 0.23 O ATOM 178 CB ILE A 26 1.437 -2.802 -0.367 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.337 -2.440 0.638 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.464 -1.685 -0.466 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.847 -2.166 2.037 1.00 0.27 C ATOM 0 H ILE A 26 -0.140 -4.683 -0.796 1.00 0.21 H new ATOM 0 HA ILE A 26 0.246 -2.214 -2.058 1.00 0.22 H new ATOM 0 HB ILE A 26 1.943 -3.701 -0.015 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.195 -1.560 0.277 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.386 -3.255 0.679 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.890 -1.494 0.519 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.257 -1.979 -1.154 1.00 0.25 H new ATOM 0 HG23 ILE A 26 1.982 -0.779 -0.834 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.009 -1.917 2.688 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.353 -3.052 2.420 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.547 -1.331 2.012 1.00 0.27 H new ATOM 188 N VAL A 27 2.575 -4.495 -2.677 1.00 0.18 N ATOM 189 CA VAL A 27 3.625 -4.849 -3.622 1.00 0.20 C ATOM 190 C VAL A 27 3.030 -5.176 -4.991 1.00 0.22 C ATOM 191 O VAL A 27 3.670 -4.969 -6.020 1.00 0.24 O ATOM 192 CB VAL A 27 4.493 -6.029 -3.122 1.00 0.21 C ATOM 193 CG1 VAL A 27 5.194 -5.660 -1.823 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.665 -7.292 -2.939 1.00 0.21 C ATOM 0 H VAL A 27 2.395 -5.196 -1.958 1.00 0.18 H new ATOM 0 HA VAL A 27 4.276 -3.980 -3.712 1.00 0.20 H new ATOM 0 HB VAL A 27 5.246 -6.233 -3.883 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.800 -6.501 -1.485 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.835 -4.794 -1.989 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.450 -5.421 -1.063 1.00 0.21 H new ATOM 0 HG21 VAL A 27 4.307 -8.100 -2.587 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.878 -7.108 -2.207 1.00 0.21 H new ATOM 0 HG23 VAL A 27 3.216 -7.574 -3.891 1.00 0.21 H new ATOM 198 N ASN A 28 1.794 -5.675 -4.994 1.00 0.26 N ATOM 199 CA ASN A 28 1.064 -5.929 -6.235 1.00 0.32 C ATOM 200 C ASN A 28 0.850 -4.632 -7.002 1.00 0.27 C ATOM 201 O ASN A 28 1.030 -4.582 -8.217 1.00 0.29 O ATOM 202 CB ASN A 28 -0.288 -6.588 -5.938 1.00 0.45 C ATOM 203 CG ASN A 28 -1.204 -6.637 -7.148 1.00 0.68 C ATOM 204 OD1 ASN A 28 -1.993 -5.719 -7.378 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.111 -7.706 -7.924 1.00 0.86 N ATOM 0 H ASN A 28 1.276 -5.912 -4.148 1.00 0.26 H new ATOM 0 HA ASN A 28 1.659 -6.607 -6.847 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.120 -7.602 -5.576 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.784 -6.041 -5.136 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.706 -7.791 -8.748 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -0.444 -8.444 -7.698 1.00 0.86 H new ATOM 212 N TYR A 29 0.471 -3.586 -6.279 1.00 0.25 N ATOM 213 CA TYR A 29 0.276 -2.272 -6.872 1.00 0.24 C ATOM 214 C TYR A 29 1.561 -1.794 -7.535 1.00 0.19 C ATOM 215 O TYR A 29 1.556 -1.419 -8.705 1.00 0.19 O ATOM 216 CB TYR A 29 -0.183 -1.273 -5.805 1.00 0.29 C ATOM 217 CG TYR A 29 -0.275 0.157 -6.292 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.033 0.490 -7.408 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.394 1.176 -5.628 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.118 1.798 -7.849 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.313 2.485 -6.061 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.443 2.791 -7.171 1.00 0.43 C ATOM 223 OH TYR A 29 -0.520 4.094 -7.606 1.00 0.50 O ATOM 0 H TYR A 29 0.292 -3.624 -5.276 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.498 -2.344 -7.636 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.159 -1.581 -5.431 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.508 -1.314 -4.963 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.564 -0.285 -7.940 1.00 1.20 H new ATOM 0 HD2 TYR A 29 0.988 0.941 -4.757 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.710 2.040 -8.719 1.00 1.22 H new ATOM 0 HE2 TYR A 29 0.840 3.265 -5.532 1.00 1.25 H new ATOM 0 HH TYR A 29 -0.195 4.694 -6.902 1.00 0.50 H new ATOM 233 N PHE A 30 2.657 -1.839 -6.790 1.00 0.16 N ATOM 234 CA PHE A 30 3.955 -1.426 -7.313 1.00 0.16 C ATOM 235 C PHE A 30 4.359 -2.293 -8.503 1.00 0.18 C ATOM 236 O PHE A 30 4.858 -1.790 -9.511 1.00 0.21 O ATOM 237 CB PHE A 30 5.023 -1.507 -6.223 1.00 0.19 C ATOM 238 CG PHE A 30 4.783 -0.596 -5.049 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.213 0.656 -5.223 1.00 1.18 C ATOM 240 CD2 PHE A 30 5.142 -0.990 -3.770 1.00 1.19 C ATOM 241 CE1 PHE A 30 4.004 1.493 -4.144 1.00 1.17 C ATOM 242 CE2 PHE A 30 4.934 -0.157 -2.689 1.00 1.22 C ATOM 243 CZ PHE A 30 4.365 1.086 -2.877 1.00 0.25 C ATOM 0 H PHE A 30 2.675 -2.157 -5.821 1.00 0.16 H new ATOM 0 HA PHE A 30 3.870 -0.392 -7.647 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.081 -2.535 -5.864 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.992 -1.267 -6.662 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.929 0.980 -6.213 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.590 -1.961 -3.617 1.00 1.19 H new ATOM 0 HE1 PHE A 30 3.558 2.465 -4.293 1.00 1.17 H new ATOM 0 HE2 PHE A 30 5.216 -0.478 -1.697 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.203 1.739 -2.033 1.00 0.25 H new ATOM 253 N SER A 31 4.125 -3.596 -8.382 1.00 0.21 N ATOM 254 CA SER A 31 4.416 -4.536 -9.454 1.00 0.27 C ATOM 255 C SER A 31 3.608 -4.189 -10.704 1.00 0.25 C ATOM 256 O SER A 31 4.127 -4.223 -11.819 1.00 0.27 O ATOM 257 CB SER A 31 4.107 -5.967 -8.996 1.00 0.35 C ATOM 258 OG SER A 31 4.465 -6.919 -9.983 1.00 1.15 O ATOM 0 H SER A 31 3.732 -4.025 -7.545 1.00 0.21 H new ATOM 0 HA SER A 31 5.475 -4.468 -9.702 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.646 -6.179 -8.073 1.00 0.35 H new ATOM 0 HB3 SER A 31 3.044 -6.056 -8.772 1.00 0.35 H new ATOM 0 HG SER A 31 4.257 -7.820 -9.659 1.00 1.15 H new ATOM 264 N SER A 32 2.343 -3.838 -10.504 1.00 0.27 N ATOM 265 CA SER A 32 1.465 -3.446 -11.598 1.00 0.30 C ATOM 266 C SER A 32 1.956 -2.146 -12.237 1.00 0.28 C ATOM 267 O SER A 32 1.930 -1.993 -13.460 1.00 0.35 O ATOM 268 CB SER A 32 0.030 -3.284 -11.082 1.00 0.40 C ATOM 269 OG SER A 32 -0.883 -3.023 -12.136 1.00 0.99 O ATOM 0 H SER A 32 1.900 -3.817 -9.585 1.00 0.27 H new ATOM 0 HA SER A 32 1.479 -4.226 -12.359 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.271 -4.190 -10.556 1.00 0.40 H new ATOM 0 HB3 SER A 32 -0.006 -2.469 -10.359 1.00 0.40 H new ATOM 0 HG SER A 32 -1.787 -2.927 -11.770 1.00 0.99 H new ATOM 275 N ILE A 33 2.419 -1.221 -11.401 1.00 0.24 N ATOM 276 CA ILE A 33 2.944 0.054 -11.874 1.00 0.26 C ATOM 277 C ILE A 33 4.113 -0.159 -12.834 1.00 0.26 C ATOM 278 O ILE A 33 4.129 0.388 -13.937 1.00 0.31 O ATOM 279 CB ILE A 33 3.417 0.946 -10.705 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.245 1.335 -9.805 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.106 2.194 -11.226 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.649 2.225 -8.649 1.00 0.34 C ATOM 0 H ILE A 33 2.441 -1.333 -10.387 1.00 0.24 H new ATOM 0 HA ILE A 33 2.127 0.555 -12.394 1.00 0.26 H new ATOM 0 HB ILE A 33 4.131 0.370 -10.116 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.491 1.847 -10.403 1.00 0.30 H new ATOM 0 HG13 ILE A 33 1.781 0.430 -9.413 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.431 2.808 -10.386 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.972 1.909 -11.824 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.411 2.763 -11.843 1.00 0.43 H new ATOM 0 HD11 ILE A 33 1.771 2.464 -8.050 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.381 1.707 -8.029 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.087 3.146 -9.034 1.00 0.34 H new ATOM 289 N VAL A 34 5.082 -0.961 -12.415 1.00 0.24 N ATOM 290 CA VAL A 34 6.270 -1.195 -13.223 1.00 0.31 C ATOM 291 C VAL A 34 5.964 -2.125 -14.397 1.00 0.37 C ATOM 292 O VAL A 34 6.638 -2.080 -15.426 1.00 0.47 O ATOM 293 CB VAL A 34 7.436 -1.769 -12.384 1.00 0.34 C ATOM 294 CG1 VAL A 34 7.813 -0.806 -11.270 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.087 -3.133 -11.810 1.00 0.33 C ATOM 0 H VAL A 34 5.069 -1.458 -11.525 1.00 0.24 H new ATOM 0 HA VAL A 34 6.581 -0.226 -13.613 1.00 0.31 H new ATOM 0 HB VAL A 34 8.293 -1.894 -13.046 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.635 -1.225 -10.689 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.122 0.146 -11.701 1.00 0.35 H new ATOM 0 HG13 VAL A 34 6.953 -0.648 -10.619 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.928 -3.508 -11.226 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.210 -3.044 -11.168 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.873 -3.826 -12.624 1.00 0.33 H new ATOM 299 N GLU A 35 4.928 -2.945 -14.242 1.00 0.35 N ATOM 300 CA GLU A 35 4.523 -3.889 -15.276 1.00 0.46 C ATOM 301 C GLU A 35 4.071 -3.159 -16.537 1.00 0.50 C ATOM 302 O GLU A 35 4.453 -3.525 -17.646 1.00 0.61 O ATOM 303 CB GLU A 35 3.397 -4.788 -14.758 1.00 0.50 C ATOM 304 CG GLU A 35 2.946 -5.848 -15.748 1.00 0.70 C ATOM 305 CD GLU A 35 1.847 -6.727 -15.192 1.00 1.49 C ATOM 306 OE1 GLU A 35 0.665 -6.335 -15.277 1.00 2.22 O ATOM 307 OE2 GLU A 35 2.160 -7.819 -14.675 1.00 2.19 O ATOM 0 H GLU A 35 4.350 -2.973 -13.402 1.00 0.35 H new ATOM 0 HA GLU A 35 5.385 -4.506 -15.529 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.730 -5.278 -13.843 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.542 -4.166 -14.493 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.594 -5.364 -16.659 1.00 0.70 H new ATOM 0 HG3 GLU A 35 3.798 -6.468 -16.025 1.00 0.70 H new ATOM 314 N LYS A 36 3.266 -2.119 -16.363 1.00 0.47 N ATOM 315 CA LYS A 36 2.761 -1.359 -17.502 1.00 0.54 C ATOM 316 C LYS A 36 3.557 -0.073 -17.702 1.00 0.50 C ATOM 317 O LYS A 36 3.182 0.789 -18.499 1.00 0.60 O ATOM 318 CB LYS A 36 1.270 -1.043 -17.325 1.00 0.67 C ATOM 319 CG LYS A 36 0.950 -0.226 -16.082 1.00 0.71 C ATOM 320 CD LYS A 36 -0.546 0.008 -15.945 1.00 0.97 C ATOM 321 CE LYS A 36 -0.874 0.831 -14.708 1.00 1.42 C ATOM 322 NZ LYS A 36 -2.339 1.042 -14.552 1.00 2.08 N ATOM 0 H LYS A 36 2.950 -1.783 -15.453 1.00 0.47 H new ATOM 0 HA LYS A 36 2.882 -1.975 -18.393 1.00 0.54 H new ATOM 0 HB2 LYS A 36 0.918 -0.501 -18.203 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.714 -1.979 -17.284 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.322 -0.744 -15.198 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.467 0.732 -16.131 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.917 0.520 -16.832 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -1.061 -0.951 -15.892 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.484 0.327 -13.823 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -0.373 1.797 -14.772 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -2.519 1.607 -13.698 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -2.708 1.545 -15.384 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -2.815 0.121 -14.465 1.00 2.08 H new ATOM 336 N LYS A 37 4.664 0.026 -16.963 1.00 0.47 N ATOM 337 CA LYS A 37 5.534 1.203 -16.974 1.00 0.54 C ATOM 338 C LYS A 37 4.719 2.476 -16.757 1.00 0.59 C ATOM 339 O LYS A 37 4.673 3.366 -17.601 1.00 0.75 O ATOM 340 CB LYS A 37 6.346 1.267 -18.274 1.00 0.71 C ATOM 341 CG LYS A 37 7.429 2.338 -18.267 1.00 1.18 C ATOM 342 CD LYS A 37 8.408 2.161 -19.417 1.00 1.41 C ATOM 343 CE LYS A 37 9.272 0.922 -19.228 1.00 1.98 C ATOM 344 NZ LYS A 37 10.241 0.745 -20.341 1.00 2.60 N ATOM 0 H LYS A 37 4.984 -0.713 -16.337 1.00 0.47 H new ATOM 0 HA LYS A 37 6.242 1.119 -16.149 1.00 0.54 H new ATOM 0 HB2 LYS A 37 6.809 0.296 -18.451 1.00 0.71 H new ATOM 0 HB3 LYS A 37 5.668 1.454 -19.107 1.00 0.71 H new ATOM 0 HG2 LYS A 37 6.966 3.323 -18.332 1.00 1.18 H new ATOM 0 HG3 LYS A 37 7.969 2.302 -17.321 1.00 1.18 H new ATOM 0 HD2 LYS A 37 7.859 2.083 -20.355 1.00 1.41 H new ATOM 0 HD3 LYS A 37 9.045 3.042 -19.493 1.00 1.41 H new ATOM 0 HE2 LYS A 37 9.813 0.997 -18.285 1.00 1.98 H new ATOM 0 HE3 LYS A 37 8.633 0.041 -19.160 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 10.810 -0.110 -20.174 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 9.725 0.647 -21.238 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 10.868 1.573 -20.391 1.00 2.60 H new ATOM 358 N GLU A 38 4.077 2.545 -15.604 1.00 0.54 N ATOM 359 CA GLU A 38 3.223 3.666 -15.253 1.00 0.68 C ATOM 360 C GLU A 38 4.031 4.685 -14.462 1.00 0.69 C ATOM 361 O GLU A 38 3.591 5.808 -14.211 1.00 1.03 O ATOM 362 CB GLU A 38 2.030 3.153 -14.437 1.00 0.79 C ATOM 363 CG GLU A 38 1.019 4.217 -14.050 1.00 1.36 C ATOM 364 CD GLU A 38 0.399 4.901 -15.248 1.00 1.41 C ATOM 365 OE1 GLU A 38 -0.476 4.295 -15.899 1.00 2.12 O ATOM 366 OE2 GLU A 38 0.772 6.058 -15.532 1.00 1.86 O ATOM 0 H GLU A 38 4.133 1.825 -14.884 1.00 0.54 H new ATOM 0 HA GLU A 38 2.844 4.151 -16.153 1.00 0.68 H new ATOM 0 HB2 GLU A 38 1.520 2.379 -15.012 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.405 2.681 -13.529 1.00 0.79 H new ATOM 0 HG2 GLU A 38 0.231 3.762 -13.450 1.00 1.36 H new ATOM 0 HG3 GLU A 38 1.506 4.964 -13.423 1.00 1.36 H new ATOM 373 N ILE A 39 5.230 4.275 -14.091 1.00 0.42 N ATOM 374 CA ILE A 39 6.127 5.113 -13.315 1.00 0.43 C ATOM 375 C ILE A 39 7.428 5.331 -14.084 1.00 0.48 C ATOM 376 O ILE A 39 7.741 4.577 -15.011 1.00 0.51 O ATOM 377 CB ILE A 39 6.418 4.468 -11.937 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.006 5.491 -10.962 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.355 3.275 -12.089 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.135 4.966 -9.548 1.00 0.47 C ATOM 0 H ILE A 39 5.609 3.356 -14.318 1.00 0.42 H new ATOM 0 HA ILE A 39 5.648 6.078 -13.147 1.00 0.43 H new ATOM 0 HB ILE A 39 5.472 4.115 -11.526 1.00 0.38 H new ATOM 0 HG12 ILE A 39 7.989 5.799 -11.319 1.00 0.45 H new ATOM 0 HG13 ILE A 39 6.376 6.380 -10.956 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.547 2.836 -11.110 1.00 0.36 H new ATOM 0 HG22 ILE A 39 6.893 2.530 -12.737 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.296 3.605 -12.529 1.00 0.36 H new ATOM 0 HD11 ILE A 39 7.558 5.741 -8.909 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.151 4.684 -9.173 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.789 4.094 -9.542 1.00 0.47 H new ATOM 387 N SER A 40 8.162 6.370 -13.721 1.00 0.54 N ATOM 388 CA SER A 40 9.436 6.668 -14.351 1.00 0.62 C ATOM 389 C SER A 40 10.482 5.632 -13.943 1.00 0.53 C ATOM 390 O SER A 40 10.343 5.007 -12.890 1.00 0.48 O ATOM 391 CB SER A 40 9.891 8.076 -13.961 1.00 0.76 C ATOM 392 OG SER A 40 8.858 9.025 -14.193 1.00 1.82 O ATOM 0 H SER A 40 7.894 7.026 -12.987 1.00 0.54 H new ATOM 0 HA SER A 40 9.317 6.626 -15.434 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.176 8.092 -12.909 1.00 0.76 H new ATOM 0 HB3 SER A 40 10.777 8.349 -14.535 1.00 0.76 H new ATOM 0 HG SER A 40 9.170 9.918 -13.935 1.00 1.82 H new ATOM 398 N GLU A 41 11.511 5.441 -14.761 1.00 0.59 N ATOM 399 CA GLU A 41 12.500 4.392 -14.513 1.00 0.60 C ATOM 400 C GLU A 41 13.107 4.501 -13.114 1.00 0.49 C ATOM 401 O GLU A 41 13.240 3.496 -12.409 1.00 0.46 O ATOM 402 CB GLU A 41 13.604 4.433 -15.565 1.00 0.78 C ATOM 403 CG GLU A 41 13.107 4.166 -16.974 1.00 1.07 C ATOM 404 CD GLU A 41 14.236 4.051 -17.972 1.00 1.43 C ATOM 405 OE1 GLU A 41 14.709 5.098 -18.461 1.00 1.99 O ATOM 406 OE2 GLU A 41 14.658 2.912 -18.268 1.00 2.19 O ATOM 0 H GLU A 41 11.684 5.995 -15.600 1.00 0.59 H new ATOM 0 HA GLU A 41 11.979 3.437 -14.579 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.086 5.410 -15.537 1.00 0.78 H new ATOM 0 HB3 GLU A 41 14.365 3.695 -15.311 1.00 0.78 H new ATOM 0 HG2 GLU A 41 12.524 3.245 -16.982 1.00 1.07 H new ATOM 0 HG3 GLU A 41 12.437 4.970 -17.278 1.00 1.07 H new ATOM 413 N ASP A 42 13.447 5.722 -12.713 1.00 0.52 N ATOM 414 CA ASP A 42 14.031 5.967 -11.394 1.00 0.52 C ATOM 415 C ASP A 42 13.064 5.552 -10.289 1.00 0.43 C ATOM 416 O ASP A 42 13.478 5.054 -9.242 1.00 0.47 O ATOM 417 CB ASP A 42 14.406 7.444 -11.230 1.00 0.62 C ATOM 418 CG ASP A 42 13.199 8.362 -11.210 1.00 1.50 C ATOM 419 OD1 ASP A 42 12.711 8.731 -12.299 1.00 2.30 O ATOM 420 OD2 ASP A 42 12.737 8.723 -10.107 1.00 2.21 O ATOM 0 H ASP A 42 13.329 6.560 -13.282 1.00 0.52 H new ATOM 0 HA ASP A 42 14.936 5.365 -11.313 1.00 0.52 H new ATOM 0 HB2 ASP A 42 14.967 7.570 -10.304 1.00 0.62 H new ATOM 0 HB3 ASP A 42 15.066 7.738 -12.046 1.00 0.62 H new ATOM 425 N GLY A 43 11.775 5.744 -10.540 1.00 0.39 N ATOM 426 CA GLY A 43 10.763 5.360 -9.578 1.00 0.37 C ATOM 427 C GLY A 43 10.572 3.860 -9.534 1.00 0.34 C ATOM 428 O GLY A 43 10.329 3.286 -8.477 1.00 0.35 O ATOM 0 H GLY A 43 11.412 6.161 -11.397 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.046 5.720 -8.589 1.00 0.37 H new ATOM 0 HA3 GLY A 43 9.818 5.840 -9.833 1.00 0.37 H new ATOM 432 N ALA A 44 10.683 3.224 -10.691 1.00 0.33 N ATOM 433 CA ALA A 44 10.600 1.775 -10.770 1.00 0.33 C ATOM 434 C ALA A 44 11.785 1.146 -10.050 1.00 0.32 C ATOM 435 O ALA A 44 11.661 0.102 -9.413 1.00 0.31 O ATOM 436 CB ALA A 44 10.556 1.328 -12.224 1.00 0.38 C ATOM 0 H ALA A 44 10.831 3.689 -11.587 1.00 0.33 H new ATOM 0 HA ALA A 44 9.682 1.445 -10.283 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.494 0.241 -12.269 1.00 0.38 H new ATOM 0 HB2 ALA A 44 9.683 1.762 -12.712 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.460 1.661 -12.735 1.00 0.38 H new ATOM 442 N ASP A 45 12.928 1.810 -10.151 1.00 0.36 N ATOM 443 CA ASP A 45 14.153 1.354 -9.508 1.00 0.38 C ATOM 444 C ASP A 45 14.024 1.395 -7.989 1.00 0.36 C ATOM 445 O ASP A 45 14.386 0.442 -7.299 1.00 0.37 O ATOM 446 CB ASP A 45 15.332 2.220 -9.952 1.00 0.48 C ATOM 447 CG ASP A 45 16.626 1.826 -9.274 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.270 0.860 -9.735 1.00 1.84 O ATOM 449 OD2 ASP A 45 17.008 2.483 -8.280 1.00 1.81 O ATOM 0 H ASP A 45 13.033 2.677 -10.679 1.00 0.36 H new ATOM 0 HA ASP A 45 14.329 0.321 -9.809 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.452 2.139 -11.032 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.114 3.265 -9.733 1.00 0.48 H new ATOM 454 N SER A 46 13.492 2.495 -7.474 1.00 0.38 N ATOM 455 CA SER A 46 13.304 2.646 -6.041 1.00 0.41 C ATOM 456 C SER A 46 12.248 1.668 -5.525 1.00 0.36 C ATOM 457 O SER A 46 12.322 1.199 -4.389 1.00 0.39 O ATOM 458 CB SER A 46 12.935 4.096 -5.713 1.00 0.51 C ATOM 459 OG SER A 46 12.185 4.680 -6.763 1.00 0.98 O ATOM 0 H SER A 46 13.184 3.294 -8.028 1.00 0.38 H new ATOM 0 HA SER A 46 14.240 2.409 -5.534 1.00 0.41 H new ATOM 0 HB2 SER A 46 12.358 4.128 -4.788 1.00 0.51 H new ATOM 0 HB3 SER A 46 13.842 4.676 -5.543 1.00 0.51 H new ATOM 0 HG SER A 46 11.574 4.012 -7.139 1.00 0.98 H new ATOM 465 N LEU A 47 11.283 1.336 -6.374 1.00 0.32 N ATOM 466 CA LEU A 47 10.273 0.345 -6.026 1.00 0.30 C ATOM 467 C LEU A 47 10.871 -1.059 -5.976 1.00 0.27 C ATOM 468 O LEU A 47 10.304 -1.957 -5.359 1.00 0.29 O ATOM 469 CB LEU A 47 9.108 0.377 -7.018 1.00 0.30 C ATOM 470 CG LEU A 47 8.215 1.616 -6.939 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.103 1.538 -7.973 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.636 1.767 -5.541 1.00 0.41 C ATOM 0 H LEU A 47 11.179 1.737 -7.306 1.00 0.32 H new ATOM 0 HA LEU A 47 9.897 0.599 -5.035 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.511 0.304 -8.028 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.490 -0.506 -6.856 1.00 0.30 H new ATOM 0 HG LEU A 47 8.824 2.494 -7.155 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.477 2.428 -7.902 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.538 1.478 -8.971 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.496 0.652 -7.788 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.003 2.654 -5.503 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.042 0.887 -5.296 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.447 1.869 -4.820 1.00 0.41 H new ATOM 484 N ASN A 48 12.018 -1.245 -6.617 1.00 0.26 N ATOM 485 CA ASN A 48 12.683 -2.544 -6.619 1.00 0.26 C ATOM 486 C ASN A 48 13.325 -2.822 -5.267 1.00 0.28 C ATOM 487 O ASN A 48 13.115 -3.884 -4.684 1.00 0.32 O ATOM 488 CB ASN A 48 13.737 -2.627 -7.727 1.00 0.28 C ATOM 489 CG ASN A 48 13.133 -2.708 -9.118 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.709 -2.207 -10.085 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.982 -3.357 -9.238 1.00 0.40 N ATOM 0 H ASN A 48 12.506 -0.518 -7.140 1.00 0.26 H new ATOM 0 HA ASN A 48 11.924 -3.302 -6.812 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.386 -1.753 -7.669 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.365 -3.502 -7.558 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.545 -3.454 -10.154 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.535 -3.759 -8.414 1.00 0.40 H new ATOM 498 N VAL A 49 14.092 -1.862 -4.753 1.00 0.27 N ATOM 499 CA VAL A 49 14.714 -2.024 -3.443 1.00 0.29 C ATOM 500 C VAL A 49 13.641 -2.060 -2.357 1.00 0.30 C ATOM 501 O VAL A 49 13.792 -2.733 -1.334 1.00 0.32 O ATOM 502 CB VAL A 49 15.753 -0.913 -3.137 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.104 0.458 -3.049 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.515 -1.225 -1.855 1.00 0.36 C ATOM 0 H VAL A 49 14.295 -0.976 -5.217 1.00 0.27 H new ATOM 0 HA VAL A 49 15.255 -2.970 -3.455 1.00 0.29 H new ATOM 0 HB VAL A 49 16.459 -0.891 -3.967 1.00 0.32 H new ATOM 0 HG11 VAL A 49 15.865 1.208 -2.833 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.621 0.693 -3.997 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.359 0.458 -2.253 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.238 -0.433 -1.660 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.815 -1.290 -1.022 1.00 0.36 H new ATOM 0 HG23 VAL A 49 17.038 -2.175 -1.965 1.00 0.36 H new ATOM 508 N ALA A 50 12.545 -1.346 -2.598 1.00 0.30 N ATOM 509 CA ALA A 50 11.401 -1.374 -1.703 1.00 0.34 C ATOM 510 C ALA A 50 10.751 -2.750 -1.718 1.00 0.34 C ATOM 511 O ALA A 50 10.407 -3.293 -0.676 1.00 0.37 O ATOM 512 CB ALA A 50 10.388 -0.309 -2.097 1.00 0.37 C ATOM 0 H ALA A 50 12.429 -0.740 -3.410 1.00 0.30 H new ATOM 0 HA ALA A 50 11.750 -1.163 -0.692 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.538 -0.345 -1.415 1.00 0.37 H new ATOM 0 HB2 ALA A 50 10.855 0.675 -2.043 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.045 -0.492 -3.115 1.00 0.37 H new ATOM 518 N MET A 51 10.621 -3.312 -2.912 1.00 0.34 N ATOM 519 CA MET A 51 9.960 -4.598 -3.111 1.00 0.39 C ATOM 520 C MET A 51 10.509 -5.659 -2.167 1.00 0.31 C ATOM 521 O MET A 51 9.754 -6.365 -1.495 1.00 0.30 O ATOM 522 CB MET A 51 10.153 -5.051 -4.556 1.00 0.52 C ATOM 523 CG MET A 51 9.183 -6.129 -5.000 1.00 0.62 C ATOM 524 SD MET A 51 7.463 -5.608 -4.855 1.00 0.65 S ATOM 525 CE MET A 51 7.568 -3.921 -5.453 1.00 0.41 C ATOM 0 H MET A 51 10.971 -2.890 -3.772 1.00 0.34 H new ATOM 0 HA MET A 51 8.899 -4.471 -2.896 1.00 0.39 H new ATOM 0 HB2 MET A 51 10.047 -4.188 -5.214 1.00 0.52 H new ATOM 0 HB3 MET A 51 11.171 -5.421 -4.677 1.00 0.52 H new ATOM 0 HG2 MET A 51 9.392 -6.398 -6.035 1.00 0.62 H new ATOM 0 HG3 MET A 51 9.340 -7.025 -4.400 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.613 -3.630 -5.891 1.00 0.41 H new ATOM 0 HE2 MET A 51 7.805 -3.255 -4.623 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.350 -3.851 -6.209 1.00 0.41 H new ATOM 535 N ASP A 52 11.830 -5.751 -2.114 1.00 0.31 N ATOM 536 CA ASP A 52 12.494 -6.738 -1.277 1.00 0.32 C ATOM 537 C ASP A 52 12.223 -6.495 0.200 1.00 0.28 C ATOM 538 O ASP A 52 11.823 -7.408 0.919 1.00 0.30 O ATOM 539 CB ASP A 52 14.000 -6.741 -1.531 1.00 0.42 C ATOM 540 CG ASP A 52 14.367 -7.410 -2.837 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.406 -8.657 -2.879 1.00 1.84 O ATOM 542 OD2 ASP A 52 14.618 -6.699 -3.830 1.00 1.99 O ATOM 0 H ASP A 52 12.464 -5.152 -2.643 1.00 0.31 H new ATOM 0 HA ASP A 52 12.085 -7.712 -1.544 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.366 -5.714 -1.537 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.502 -7.253 -0.711 1.00 0.42 H new ATOM 547 N CYS A 53 12.422 -5.263 0.650 1.00 0.27 N ATOM 548 CA CYS A 53 12.302 -4.953 2.069 1.00 0.27 C ATOM 549 C CYS A 53 10.848 -4.993 2.543 1.00 0.29 C ATOM 550 O CYS A 53 10.580 -5.428 3.659 1.00 0.36 O ATOM 551 CB CYS A 53 12.954 -3.607 2.389 1.00 0.36 C ATOM 552 SG CYS A 53 12.486 -2.261 1.283 1.00 1.05 S ATOM 0 H CYS A 53 12.665 -4.468 0.059 1.00 0.27 H new ATOM 0 HA CYS A 53 12.836 -5.728 2.619 1.00 0.27 H new ATOM 0 HB2 CYS A 53 12.695 -3.327 3.410 1.00 0.36 H new ATOM 0 HB3 CYS A 53 14.037 -3.726 2.356 1.00 0.36 H new ATOM 0 HG CYS A 53 13.205 -2.319 0.201 1.00 1.05 H new ATOM 558 N ILE A 54 9.909 -4.559 1.700 1.00 0.26 N ATOM 559 CA ILE A 54 8.485 -4.647 2.036 1.00 0.29 C ATOM 560 C ILE A 54 8.098 -6.103 2.275 1.00 0.30 C ATOM 561 O ILE A 54 7.521 -6.453 3.306 1.00 0.33 O ATOM 562 CB ILE A 54 7.575 -4.082 0.918 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.877 -2.606 0.650 1.00 0.31 C ATOM 564 CG2 ILE A 54 6.106 -4.255 1.290 1.00 0.33 C ATOM 565 CD1 ILE A 54 7.189 -2.066 -0.590 1.00 0.34 C ATOM 0 H ILE A 54 10.105 -4.147 0.788 1.00 0.26 H new ATOM 0 HA ILE A 54 8.338 -4.048 2.935 1.00 0.29 H new ATOM 0 HB ILE A 54 7.780 -4.643 0.006 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.568 -2.017 1.514 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.954 -2.476 0.544 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.479 -3.853 0.494 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.887 -5.314 1.424 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.900 -3.722 2.218 1.00 0.33 H new ATOM 0 HD11 ILE A 54 7.446 -1.015 -0.720 1.00 0.34 H new ATOM 0 HD12 ILE A 54 7.517 -2.631 -1.463 1.00 0.34 H new ATOM 0 HD13 ILE A 54 6.109 -2.164 -0.479 1.00 0.34 H new ATOM 572 N SER A 55 8.447 -6.945 1.313 1.00 0.30 N ATOM 573 CA SER A 55 8.121 -8.359 1.363 1.00 0.36 C ATOM 574 C SER A 55 8.817 -9.026 2.554 1.00 0.38 C ATOM 575 O SER A 55 8.219 -9.838 3.268 1.00 0.41 O ATOM 576 CB SER A 55 8.542 -9.018 0.043 1.00 0.40 C ATOM 577 OG SER A 55 7.950 -10.293 -0.123 1.00 0.80 O ATOM 0 H SER A 55 8.963 -6.666 0.478 1.00 0.30 H new ATOM 0 HA SER A 55 7.046 -8.482 1.496 1.00 0.36 H new ATOM 0 HB2 SER A 55 8.259 -8.375 -0.790 1.00 0.40 H new ATOM 0 HB3 SER A 55 9.627 -9.115 0.016 1.00 0.40 H new ATOM 0 HG SER A 55 8.278 -10.899 0.574 1.00 0.80 H new ATOM 583 N GLU A 56 10.074 -8.654 2.779 1.00 0.39 N ATOM 584 CA GLU A 56 10.870 -9.227 3.859 1.00 0.48 C ATOM 585 C GLU A 56 10.339 -8.790 5.225 1.00 0.43 C ATOM 586 O GLU A 56 10.405 -9.544 6.198 1.00 0.46 O ATOM 587 CB GLU A 56 12.333 -8.800 3.709 1.00 0.60 C ATOM 588 CG GLU A 56 13.304 -9.612 4.551 1.00 0.83 C ATOM 589 CD GLU A 56 13.341 -11.069 4.144 1.00 1.81 C ATOM 590 OE1 GLU A 56 13.898 -11.378 3.068 1.00 2.66 O ATOM 591 OE2 GLU A 56 12.818 -11.915 4.899 1.00 2.38 O ATOM 0 H GLU A 56 10.565 -7.954 2.224 1.00 0.39 H new ATOM 0 HA GLU A 56 10.799 -10.313 3.797 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.619 -8.884 2.661 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.424 -7.748 3.981 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.303 -9.187 4.460 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.020 -9.538 5.601 1.00 0.83 H new ATOM 598 N ALA A 57 9.812 -7.572 5.286 1.00 0.39 N ATOM 599 CA ALA A 57 9.290 -7.015 6.530 1.00 0.39 C ATOM 600 C ALA A 57 8.137 -7.849 7.070 1.00 0.33 C ATOM 601 O ALA A 57 8.138 -8.248 8.236 1.00 0.39 O ATOM 602 CB ALA A 57 8.841 -5.579 6.318 1.00 0.42 C ATOM 0 H ALA A 57 9.735 -6.948 4.483 1.00 0.39 H new ATOM 0 HA ALA A 57 10.094 -7.033 7.266 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.454 -5.177 7.254 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.688 -4.978 5.987 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.058 -5.551 5.560 1.00 0.42 H new ATOM 608 N PHE A 58 7.164 -8.121 6.213 1.00 0.29 N ATOM 609 CA PHE A 58 5.980 -8.870 6.614 1.00 0.28 C ATOM 610 C PHE A 58 6.273 -10.361 6.715 1.00 0.30 C ATOM 611 O PHE A 58 5.516 -11.111 7.331 1.00 0.38 O ATOM 612 CB PHE A 58 4.835 -8.624 5.637 1.00 0.26 C ATOM 613 CG PHE A 58 4.222 -7.259 5.758 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.880 -6.141 5.270 1.00 1.24 C ATOM 615 CD2 PHE A 58 2.988 -7.094 6.364 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.315 -4.885 5.381 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.418 -5.842 6.478 1.00 1.22 C ATOM 618 CZ PHE A 58 3.083 -4.736 5.986 1.00 0.28 C ATOM 0 H PHE A 58 7.170 -7.834 5.234 1.00 0.29 H new ATOM 0 HA PHE A 58 5.684 -8.517 7.602 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.202 -8.759 4.620 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.062 -9.375 5.800 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.845 -6.253 4.798 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.465 -7.955 6.752 1.00 1.18 H new ATOM 0 HE1 PHE A 58 4.836 -4.021 4.995 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.454 -5.728 6.951 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.640 -3.755 6.074 1.00 0.28 H new ATOM 628 N GLY A 59 7.369 -10.784 6.103 1.00 0.34 N ATOM 629 CA GLY A 59 7.798 -12.161 6.221 1.00 0.39 C ATOM 630 C GLY A 59 7.245 -13.054 5.130 1.00 0.38 C ATOM 631 O GLY A 59 6.792 -14.166 5.402 1.00 0.43 O ATOM 0 H GLY A 59 7.970 -10.196 5.525 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.887 -12.199 6.195 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.488 -12.549 7.191 1.00 0.39 H new ATOM 635 N PHE A 60 7.273 -12.572 3.897 1.00 0.35 N ATOM 636 CA PHE A 60 6.869 -13.386 2.761 1.00 0.39 C ATOM 637 C PHE A 60 7.751 -13.069 1.561 1.00 0.40 C ATOM 638 O PHE A 60 8.580 -12.159 1.615 1.00 0.42 O ATOM 639 CB PHE A 60 5.380 -13.180 2.422 1.00 0.40 C ATOM 640 CG PHE A 60 5.021 -11.820 1.877 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.682 -10.781 2.725 1.00 1.22 C ATOM 642 CD2 PHE A 60 5.002 -11.593 0.508 1.00 1.19 C ATOM 643 CE1 PHE A 60 4.333 -9.541 2.221 1.00 1.20 C ATOM 644 CE2 PHE A 60 4.658 -10.356 -0.001 1.00 1.22 C ATOM 645 CZ PHE A 60 4.323 -9.329 0.857 1.00 0.33 C ATOM 0 H PHE A 60 7.570 -11.626 3.658 1.00 0.35 H new ATOM 0 HA PHE A 60 6.996 -14.436 3.026 1.00 0.39 H new ATOM 0 HB2 PHE A 60 5.083 -13.934 1.693 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.792 -13.358 3.322 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.690 -10.940 3.793 1.00 1.22 H new ATOM 0 HD2 PHE A 60 5.260 -12.394 -0.168 1.00 1.19 H new ATOM 0 HE1 PHE A 60 4.068 -8.739 2.894 1.00 1.20 H new ATOM 0 HE2 PHE A 60 4.651 -10.193 -1.069 1.00 1.22 H new ATOM 0 HZ PHE A 60 4.053 -8.361 0.462 1.00 0.33 H new ATOM 655 N GLU A 61 7.592 -13.831 0.494 1.00 0.48 N ATOM 656 CA GLU A 61 8.380 -13.627 -0.710 1.00 0.55 C ATOM 657 C GLU A 61 7.510 -13.111 -1.846 1.00 0.50 C ATOM 658 O GLU A 61 6.309 -13.376 -1.896 1.00 0.48 O ATOM 659 CB GLU A 61 9.053 -14.931 -1.126 1.00 0.70 C ATOM 660 CG GLU A 61 9.992 -15.488 -0.073 1.00 0.81 C ATOM 661 CD GLU A 61 10.689 -16.747 -0.531 1.00 1.48 C ATOM 662 OE1 GLU A 61 10.111 -17.841 -0.380 1.00 2.33 O ATOM 663 OE2 GLU A 61 11.824 -16.649 -1.039 1.00 2.05 O ATOM 0 H GLU A 61 6.923 -14.599 0.436 1.00 0.48 H new ATOM 0 HA GLU A 61 9.145 -12.881 -0.493 1.00 0.55 H new ATOM 0 HB2 GLU A 61 8.285 -15.673 -1.346 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.610 -14.765 -2.048 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.738 -14.734 0.180 1.00 0.81 H new ATOM 0 HG3 GLU A 61 9.430 -15.698 0.837 1.00 0.81 H new ATOM 670 N ARG A 62 8.141 -12.387 -2.764 1.00 0.54 N ATOM 671 CA ARG A 62 7.453 -11.772 -3.894 1.00 0.53 C ATOM 672 C ARG A 62 6.847 -12.830 -4.815 1.00 0.53 C ATOM 673 O ARG A 62 5.952 -12.538 -5.605 1.00 0.64 O ATOM 674 CB ARG A 62 8.433 -10.887 -4.674 1.00 0.63 C ATOM 675 CG ARG A 62 7.815 -10.166 -5.862 1.00 1.40 C ATOM 676 CD ARG A 62 8.863 -9.397 -6.653 1.00 1.46 C ATOM 677 NE ARG A 62 9.935 -10.267 -7.132 1.00 2.25 N ATOM 678 CZ ARG A 62 10.944 -9.862 -7.901 1.00 2.60 C ATOM 679 NH1 ARG A 62 11.010 -8.602 -8.317 1.00 2.13 N ATOM 680 NH2 ARG A 62 11.886 -10.722 -8.261 1.00 3.67 N ATOM 0 H ARG A 62 9.145 -12.210 -2.746 1.00 0.54 H new ATOM 0 HA ARG A 62 6.638 -11.159 -3.509 1.00 0.53 H new ATOM 0 HB2 ARG A 62 8.856 -10.147 -3.995 1.00 0.63 H new ATOM 0 HB3 ARG A 62 9.259 -11.504 -5.028 1.00 0.63 H new ATOM 0 HG2 ARG A 62 7.324 -10.889 -6.513 1.00 1.40 H new ATOM 0 HG3 ARG A 62 7.045 -9.479 -5.512 1.00 1.40 H new ATOM 0 HD2 ARG A 62 8.388 -8.906 -7.502 1.00 1.46 H new ATOM 0 HD3 ARG A 62 9.286 -8.612 -6.026 1.00 1.46 H new ATOM 0 HE ARG A 62 9.909 -11.250 -6.859 1.00 2.25 H new ATOM 0 HH11 ARG A 62 10.285 -7.937 -8.048 1.00 2.13 H new ATOM 0 HH12 ARG A 62 11.786 -8.299 -8.906 1.00 2.13 H new ATOM 0 HH21 ARG A 62 11.837 -11.692 -7.949 1.00 3.67 H new ATOM 0 HH22 ARG A 62 12.660 -10.414 -8.850 1.00 3.67 H new ATOM 694 N GLU A 63 7.333 -14.060 -4.706 1.00 0.58 N ATOM 695 CA GLU A 63 6.808 -15.156 -5.509 1.00 0.64 C ATOM 696 C GLU A 63 5.564 -15.760 -4.864 1.00 0.63 C ATOM 697 O GLU A 63 4.914 -16.629 -5.442 1.00 0.75 O ATOM 698 CB GLU A 63 7.864 -16.244 -5.695 1.00 0.74 C ATOM 699 CG GLU A 63 8.292 -16.910 -4.398 1.00 1.70 C ATOM 700 CD GLU A 63 9.086 -18.175 -4.637 1.00 2.53 C ATOM 701 OE1 GLU A 63 8.470 -19.252 -4.773 1.00 3.20 O ATOM 702 OE2 GLU A 63 10.328 -18.102 -4.696 1.00 3.12 O ATOM 0 H GLU A 63 8.087 -14.323 -4.072 1.00 0.58 H new ATOM 0 HA GLU A 63 6.538 -14.749 -6.483 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.474 -17.004 -6.372 1.00 0.74 H new ATOM 0 HB3 GLU A 63 8.740 -15.809 -6.176 1.00 0.74 H new ATOM 0 HG2 GLU A 63 8.892 -16.212 -3.814 1.00 1.70 H new ATOM 0 HG3 GLU A 63 7.409 -17.145 -3.804 1.00 1.70 H new ATOM 709 N ALA A 64 5.236 -15.301 -3.664 1.00 0.55 N ATOM 710 CA ALA A 64 4.101 -15.835 -2.929 1.00 0.60 C ATOM 711 C ALA A 64 2.946 -14.844 -2.905 1.00 0.54 C ATOM 712 O ALA A 64 1.898 -15.113 -2.315 1.00 0.57 O ATOM 713 CB ALA A 64 4.516 -16.196 -1.511 1.00 0.67 C ATOM 0 H ALA A 64 5.741 -14.559 -3.180 1.00 0.55 H new ATOM 0 HA ALA A 64 3.761 -16.736 -3.440 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.657 -16.595 -0.971 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.305 -16.947 -1.543 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.883 -15.305 -1.001 1.00 0.67 H new ATOM 719 N VAL A 65 3.130 -13.704 -3.562 1.00 0.51 N ATOM 720 CA VAL A 65 2.128 -12.646 -3.545 1.00 0.47 C ATOM 721 C VAL A 65 0.812 -13.118 -4.169 1.00 0.53 C ATOM 722 O VAL A 65 -0.266 -12.825 -3.652 1.00 0.54 O ATOM 723 CB VAL A 65 2.630 -11.362 -4.256 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.994 -11.627 -5.705 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.595 -10.255 -4.175 1.00 0.50 C ATOM 0 H VAL A 65 3.962 -13.490 -4.112 1.00 0.51 H new ATOM 0 HA VAL A 65 1.947 -12.400 -2.499 1.00 0.47 H new ATOM 0 HB VAL A 65 3.531 -11.041 -3.734 1.00 0.47 H new ATOM 0 HG11 VAL A 65 3.341 -10.703 -6.168 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.786 -12.375 -5.750 1.00 0.51 H new ATOM 0 HG13 VAL A 65 2.117 -11.993 -6.239 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.972 -9.366 -4.681 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.673 -10.583 -4.656 1.00 0.50 H new ATOM 0 HG23 VAL A 65 1.395 -10.020 -3.130 1.00 0.50 H new ATOM 729 N SER A 66 0.906 -13.880 -5.253 1.00 0.63 N ATOM 730 CA SER A 66 -0.278 -14.383 -5.937 1.00 0.75 C ATOM 731 C SER A 66 -1.029 -15.378 -5.055 1.00 0.76 C ATOM 732 O SER A 66 -2.260 -15.407 -5.041 1.00 0.84 O ATOM 733 CB SER A 66 0.125 -15.032 -7.258 1.00 0.89 C ATOM 734 OG SER A 66 0.895 -14.135 -8.041 1.00 1.63 O ATOM 0 H SER A 66 1.790 -14.163 -5.676 1.00 0.63 H new ATOM 0 HA SER A 66 -0.946 -13.547 -6.144 1.00 0.75 H new ATOM 0 HB2 SER A 66 0.699 -15.938 -7.064 1.00 0.89 H new ATOM 0 HB3 SER A 66 -0.767 -15.331 -7.809 1.00 0.89 H new ATOM 0 HG SER A 66 1.146 -14.569 -8.883 1.00 1.63 H new ATOM 740 N GLY A 67 -0.278 -16.182 -4.309 1.00 0.73 N ATOM 741 CA GLY A 67 -0.883 -17.126 -3.391 1.00 0.75 C ATOM 742 C GLY A 67 -1.623 -16.427 -2.271 1.00 0.70 C ATOM 743 O GLY A 67 -2.738 -16.813 -1.918 1.00 0.76 O ATOM 0 H GLY A 67 0.742 -16.195 -4.325 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.573 -17.771 -3.935 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.110 -17.769 -2.970 1.00 0.75 H new ATOM 747 N ILE A 68 -1.003 -15.392 -1.719 1.00 0.63 N ATOM 748 CA ILE A 68 -1.619 -14.607 -0.658 1.00 0.59 C ATOM 749 C ILE A 68 -2.877 -13.906 -1.167 1.00 0.63 C ATOM 750 O ILE A 68 -3.920 -13.936 -0.514 1.00 0.71 O ATOM 751 CB ILE A 68 -0.639 -13.556 -0.091 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.606 -14.242 0.478 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.318 -12.716 0.982 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.656 -13.275 0.981 1.00 0.45 C ATOM 0 H ILE A 68 -0.072 -15.076 -1.990 1.00 0.63 H new ATOM 0 HA ILE A 68 -1.888 -15.298 0.141 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.333 -12.896 -0.903 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.307 -14.898 1.296 1.00 0.50 H new ATOM 0 HG13 ILE A 68 1.046 -14.874 -0.293 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.612 -11.981 1.370 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.177 -12.202 0.552 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.651 -13.363 1.794 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.508 -13.833 1.369 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.984 -12.635 0.162 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.233 -12.659 1.775 1.00 0.45 H new ATOM 761 N LEU A 69 -2.777 -13.299 -2.346 1.00 0.62 N ATOM 762 CA LEU A 69 -3.902 -12.585 -2.942 1.00 0.67 C ATOM 763 C LEU A 69 -5.061 -13.528 -3.240 1.00 0.85 C ATOM 764 O LEU A 69 -6.221 -13.186 -3.011 1.00 1.14 O ATOM 765 CB LEU A 69 -3.466 -11.865 -4.219 1.00 0.62 C ATOM 766 CG LEU A 69 -2.460 -10.733 -4.005 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.041 -10.121 -5.330 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.048 -9.672 -3.091 1.00 0.45 C ATOM 0 H LEU A 69 -1.926 -13.287 -2.909 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.245 -11.845 -2.219 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.030 -12.596 -4.901 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.350 -11.459 -4.710 1.00 0.62 H new ATOM 0 HG LEU A 69 -1.572 -11.150 -3.531 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.326 -9.319 -5.150 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.579 -10.886 -5.954 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -2.917 -9.719 -5.838 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -2.321 -8.872 -2.947 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -3.952 -9.264 -3.542 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.293 -10.117 -2.127 1.00 0.45 H new ATOM 780 N GLY A 70 -4.740 -14.720 -3.732 1.00 0.81 N ATOM 781 CA GLY A 70 -5.761 -15.715 -4.002 1.00 0.94 C ATOM 782 C GLY A 70 -6.496 -16.130 -2.743 1.00 0.99 C ATOM 783 O GLY A 70 -7.682 -16.452 -2.782 1.00 1.25 O ATOM 0 H GLY A 70 -3.788 -15.015 -3.949 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.474 -15.316 -4.723 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.301 -16.591 -4.459 1.00 0.94 H new ATOM 787 N LYS A 71 -5.784 -16.108 -1.626 1.00 0.87 N ATOM 788 CA LYS A 71 -6.356 -16.472 -0.338 1.00 0.98 C ATOM 789 C LYS A 71 -7.164 -15.318 0.247 1.00 0.99 C ATOM 790 O LYS A 71 -8.195 -15.531 0.888 1.00 1.26 O ATOM 791 CB LYS A 71 -5.240 -16.876 0.629 1.00 1.11 C ATOM 792 CG LYS A 71 -5.717 -17.150 2.047 1.00 1.69 C ATOM 793 CD LYS A 71 -4.588 -17.660 2.927 1.00 2.11 C ATOM 794 CE LYS A 71 -3.458 -16.647 3.059 1.00 2.60 C ATOM 795 NZ LYS A 71 -3.855 -15.445 3.840 1.00 3.16 N ATOM 0 H LYS A 71 -4.801 -15.839 -1.586 1.00 0.87 H new ATOM 0 HA LYS A 71 -7.029 -17.316 -0.486 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.746 -17.768 0.244 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -4.492 -16.084 0.655 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -6.129 -16.237 2.476 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -6.522 -17.884 2.025 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -4.979 -17.896 3.917 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -4.195 -18.587 2.510 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -2.603 -17.122 3.540 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -3.133 -16.339 2.065 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -3.028 -14.828 3.972 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -4.596 -14.926 3.326 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -4.219 -15.739 4.769 1.00 3.16 H new ATOM 809 N SER A 72 -6.697 -14.100 0.012 1.00 0.92 N ATOM 810 CA SER A 72 -7.320 -12.916 0.586 1.00 1.08 C ATOM 811 C SER A 72 -8.644 -12.581 -0.099 1.00 1.04 C ATOM 812 O SER A 72 -9.121 -13.323 -0.960 1.00 1.21 O ATOM 813 CB SER A 72 -6.367 -11.724 0.480 1.00 1.30 C ATOM 814 OG SER A 72 -6.081 -11.414 -0.874 1.00 2.02 O ATOM 0 H SER A 72 -5.886 -13.906 -0.575 1.00 0.92 H new ATOM 0 HA SER A 72 -7.532 -13.129 1.634 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.810 -10.856 0.969 1.00 1.30 H new ATOM 0 HB3 SER A 72 -5.440 -11.948 1.008 1.00 1.30 H new ATOM 0 HG SER A 72 -6.312 -12.180 -1.441 1.00 2.02 H new ATOM 820 N GLU A 73 -9.236 -11.463 0.294 1.00 1.13 N ATOM 821 CA GLU A 73 -10.450 -10.975 -0.342 1.00 1.31 C ATOM 822 C GLU A 73 -10.177 -10.582 -1.792 1.00 1.26 C ATOM 823 O GLU A 73 -10.913 -10.955 -2.701 1.00 1.87 O ATOM 824 CB GLU A 73 -10.988 -9.750 0.408 1.00 1.67 C ATOM 825 CG GLU A 73 -11.385 -10.019 1.850 1.00 1.87 C ATOM 826 CD GLU A 73 -12.616 -10.886 1.967 1.00 2.12 C ATOM 827 OE1 GLU A 73 -13.737 -10.356 1.825 1.00 2.64 O ATOM 828 OE2 GLU A 73 -12.471 -12.098 2.220 1.00 2.46 O ATOM 0 H GLU A 73 -8.893 -10.875 1.054 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.188 -11.777 -0.316 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -10.229 -8.968 0.393 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -11.855 -9.363 -0.128 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -10.556 -10.502 2.366 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.565 -9.070 2.355 1.00 1.87 H new ATOM 835 N PHE A 74 -9.081 -9.874 -1.998 1.00 1.04 N ATOM 836 CA PHE A 74 -8.858 -9.150 -3.237 1.00 1.02 C ATOM 837 C PHE A 74 -8.013 -9.950 -4.221 1.00 1.08 C ATOM 838 O PHE A 74 -6.858 -9.618 -4.487 1.00 1.45 O ATOM 839 CB PHE A 74 -8.183 -7.816 -2.929 1.00 0.94 C ATOM 840 CG PHE A 74 -8.773 -7.113 -1.738 1.00 0.96 C ATOM 841 CD1 PHE A 74 -9.944 -6.381 -1.851 1.00 1.61 C ATOM 842 CD2 PHE A 74 -8.152 -7.189 -0.501 1.00 1.18 C ATOM 843 CE1 PHE A 74 -10.481 -5.738 -0.752 1.00 1.70 C ATOM 844 CE2 PHE A 74 -8.684 -6.551 0.597 1.00 1.25 C ATOM 845 CZ PHE A 74 -9.848 -5.824 0.474 1.00 1.19 C ATOM 0 H PHE A 74 -8.326 -9.785 -1.318 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.826 -8.978 -3.707 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -7.121 -7.986 -2.753 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -8.261 -7.167 -3.801 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -10.442 -6.312 -2.807 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -7.239 -7.756 -0.397 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -11.394 -5.169 -0.851 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -8.189 -6.620 1.554 1.00 1.25 H new ATOM 0 HZ PHE A 74 -10.265 -5.322 1.334 1.00 1.19 H new ATOM 855 N LYS A 75 -8.594 -11.008 -4.754 1.00 1.12 N ATOM 856 CA LYS A 75 -7.958 -11.768 -5.820 1.00 1.23 C ATOM 857 C LYS A 75 -8.488 -11.301 -7.170 1.00 1.54 C ATOM 858 O LYS A 75 -9.692 -11.338 -7.423 1.00 2.04 O ATOM 859 CB LYS A 75 -8.154 -13.286 -5.651 1.00 1.43 C ATOM 860 CG LYS A 75 -9.588 -13.734 -5.386 1.00 1.47 C ATOM 861 CD LYS A 75 -9.940 -13.635 -3.912 1.00 1.66 C ATOM 862 CE LYS A 75 -11.333 -14.163 -3.624 1.00 2.28 C ATOM 863 NZ LYS A 75 -11.746 -13.883 -2.224 1.00 2.85 N ATOM 0 H LYS A 75 -9.506 -11.363 -4.468 1.00 1.12 H new ATOM 0 HA LYS A 75 -6.885 -11.583 -5.768 1.00 1.23 H new ATOM 0 HB2 LYS A 75 -7.796 -13.784 -6.552 1.00 1.43 H new ATOM 0 HB3 LYS A 75 -7.526 -13.627 -4.828 1.00 1.43 H new ATOM 0 HG2 LYS A 75 -10.275 -13.119 -5.967 1.00 1.47 H new ATOM 0 HG3 LYS A 75 -9.717 -14.762 -5.723 1.00 1.47 H new ATOM 0 HD2 LYS A 75 -9.211 -14.196 -3.327 1.00 1.66 H new ATOM 0 HD3 LYS A 75 -9.873 -12.595 -3.592 1.00 1.66 H new ATOM 0 HE2 LYS A 75 -12.045 -13.707 -4.312 1.00 2.28 H new ATOM 0 HE3 LYS A 75 -11.360 -15.238 -3.804 1.00 2.28 H new ATOM 0 HZ1 LYS A 75 -12.164 -14.739 -1.808 1.00 2.85 H new ATOM 0 HZ2 LYS A 75 -10.915 -13.598 -1.667 1.00 2.85 H new ATOM 0 HZ3 LYS A 75 -12.448 -13.116 -2.216 1.00 2.85 H new ATOM 877 N GLY A 76 -7.586 -10.832 -8.019 1.00 1.89 N ATOM 878 CA GLY A 76 -7.982 -10.292 -9.303 1.00 2.41 C ATOM 879 C GLY A 76 -8.147 -8.788 -9.249 1.00 1.95 C ATOM 880 O GLY A 76 -8.584 -8.162 -10.212 1.00 2.42 O ATOM 0 H GLY A 76 -6.582 -10.816 -7.840 1.00 1.89 H new ATOM 0 HA2 GLY A 76 -7.234 -10.550 -10.053 1.00 2.41 H new ATOM 0 HA3 GLY A 76 -8.920 -10.750 -9.617 1.00 2.41 H new ATOM 884 N GLN A 77 -7.786 -8.215 -8.111 1.00 1.50 N ATOM 885 CA GLN A 77 -7.912 -6.783 -7.889 1.00 1.32 C ATOM 886 C GLN A 77 -6.584 -6.211 -7.424 1.00 1.10 C ATOM 887 O GLN A 77 -5.847 -6.862 -6.684 1.00 1.51 O ATOM 888 CB GLN A 77 -8.989 -6.502 -6.836 1.00 1.56 C ATOM 889 CG GLN A 77 -10.395 -6.873 -7.280 1.00 2.02 C ATOM 890 CD GLN A 77 -10.958 -5.919 -8.317 1.00 2.54 C ATOM 891 OE1 GLN A 77 -10.220 -5.307 -9.089 1.00 2.88 O ATOM 892 NE2 GLN A 77 -12.274 -5.791 -8.346 1.00 3.28 N ATOM 0 H GLN A 77 -7.399 -8.727 -7.318 1.00 1.50 H new ATOM 0 HA GLN A 77 -8.200 -6.309 -8.827 1.00 1.32 H new ATOM 0 HB2 GLN A 77 -8.748 -7.054 -5.927 1.00 1.56 H new ATOM 0 HB3 GLN A 77 -8.967 -5.442 -6.581 1.00 1.56 H new ATOM 0 HG2 GLN A 77 -10.387 -7.883 -7.690 1.00 2.02 H new ATOM 0 HG3 GLN A 77 -11.053 -6.887 -6.411 1.00 2.02 H new ATOM 0 HE21 GLN A 77 -12.852 -6.315 -7.689 1.00 3.28 H new ATOM 0 HE22 GLN A 77 -12.711 -5.168 -9.025 1.00 3.28 H new ATOM 901 N HIS A 78 -6.271 -5.002 -7.865 1.00 0.88 N ATOM 902 CA HIS A 78 -5.061 -4.330 -7.424 1.00 0.85 C ATOM 903 C HIS A 78 -5.406 -3.379 -6.289 1.00 0.69 C ATOM 904 O HIS A 78 -6.568 -2.995 -6.146 1.00 0.68 O ATOM 905 CB HIS A 78 -4.408 -3.548 -8.571 1.00 1.02 C ATOM 906 CG HIS A 78 -4.190 -4.351 -9.819 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.031 -4.283 -10.906 1.00 1.50 N ATOM 908 CD2 HIS A 78 -3.214 -5.228 -10.157 1.00 1.41 C ATOM 909 CE1 HIS A 78 -4.587 -5.081 -11.857 1.00 1.96 C ATOM 910 NE2 HIS A 78 -3.485 -5.667 -11.430 1.00 1.85 N ATOM 0 H HIS A 78 -6.837 -4.469 -8.525 1.00 0.88 H new ATOM 0 HA HIS A 78 -4.351 -5.083 -7.083 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -5.033 -2.688 -8.811 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -3.448 -3.160 -8.230 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -5.869 -3.704 -10.967 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -2.379 -5.526 -9.541 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -5.048 -5.230 -12.822 1.00 1.96 H new ATOM 919 N LEU A 79 -4.423 -3.000 -5.486 1.00 0.60 N ATOM 920 CA LEU A 79 -4.670 -2.102 -4.357 1.00 0.46 C ATOM 921 C LEU A 79 -5.365 -0.823 -4.819 1.00 0.44 C ATOM 922 O LEU A 79 -6.326 -0.362 -4.201 1.00 0.42 O ATOM 923 CB LEU A 79 -3.359 -1.745 -3.658 1.00 0.44 C ATOM 924 CG LEU A 79 -3.509 -0.853 -2.425 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.277 -1.579 -1.330 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.148 -0.406 -1.922 1.00 0.41 C ATOM 0 H LEU A 79 -3.452 -3.295 -5.590 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.321 -2.623 -3.655 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -2.859 -2.667 -3.363 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -2.707 -1.244 -4.374 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.076 0.034 -2.708 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.374 -0.928 -0.461 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.269 -1.845 -1.696 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.740 -2.484 -1.048 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.275 0.228 -1.044 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.553 -1.280 -1.656 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.637 0.156 -2.704 1.00 0.41 H new ATOM 938 N ALA A 80 -4.887 -0.274 -5.924 1.00 0.50 N ATOM 939 CA ALA A 80 -5.397 0.988 -6.433 1.00 0.54 C ATOM 940 C ALA A 80 -6.849 0.880 -6.883 1.00 0.58 C ATOM 941 O ALA A 80 -7.595 1.847 -6.781 1.00 0.61 O ATOM 942 CB ALA A 80 -4.529 1.482 -7.568 1.00 0.63 C ATOM 0 H ALA A 80 -4.143 -0.685 -6.488 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.364 1.708 -5.615 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -4.921 2.428 -7.941 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.510 1.628 -7.210 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.529 0.747 -8.373 1.00 0.63 H new ATOM 948 N ASP A 81 -7.252 -0.292 -7.367 1.00 0.64 N ATOM 949 CA ASP A 81 -8.639 -0.504 -7.783 1.00 0.70 C ATOM 950 C ASP A 81 -9.566 -0.286 -6.599 1.00 0.60 C ATOM 951 O ASP A 81 -10.637 0.311 -6.723 1.00 0.67 O ATOM 952 CB ASP A 81 -8.847 -1.915 -8.342 1.00 0.78 C ATOM 953 CG ASP A 81 -8.099 -2.159 -9.634 1.00 1.52 C ATOM 954 OD1 ASP A 81 -8.339 -1.426 -10.616 1.00 2.06 O ATOM 955 OD2 ASP A 81 -7.278 -3.098 -9.683 1.00 2.30 O ATOM 0 H ASP A 81 -6.645 -1.104 -7.481 1.00 0.64 H new ATOM 0 HA ASP A 81 -8.867 0.212 -8.573 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.524 -2.645 -7.599 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -9.911 -2.080 -8.509 1.00 0.78 H new ATOM 960 N ILE A 82 -9.120 -0.766 -5.449 1.00 0.50 N ATOM 961 CA ILE A 82 -9.835 -0.594 -4.196 1.00 0.45 C ATOM 962 C ILE A 82 -10.024 0.887 -3.874 1.00 0.48 C ATOM 963 O ILE A 82 -11.142 1.350 -3.645 1.00 0.61 O ATOM 964 CB ILE A 82 -9.056 -1.266 -3.048 1.00 0.41 C ATOM 965 CG1 ILE A 82 -8.976 -2.776 -3.265 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.689 -0.950 -1.705 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.063 -3.473 -2.284 1.00 0.61 C ATOM 0 H ILE A 82 -8.248 -1.288 -5.359 1.00 0.50 H new ATOM 0 HA ILE A 82 -10.815 -1.060 -4.300 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.043 -0.865 -3.046 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -9.976 -3.201 -3.185 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -8.627 -2.972 -4.279 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.121 -1.436 -0.912 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.686 0.128 -1.546 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.716 -1.315 -1.692 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.052 -4.543 -2.494 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.053 -3.074 -2.380 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.424 -3.306 -1.269 1.00 0.61 H new ATOM 974 N LEU A 83 -8.922 1.623 -3.879 1.00 0.44 N ATOM 975 CA LEU A 83 -8.933 3.036 -3.512 1.00 0.52 C ATOM 976 C LEU A 83 -9.609 3.887 -4.582 1.00 0.69 C ATOM 977 O LEU A 83 -10.135 4.957 -4.295 1.00 0.83 O ATOM 978 CB LEU A 83 -7.507 3.543 -3.270 1.00 0.47 C ATOM 979 CG LEU A 83 -6.883 3.178 -1.916 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.702 1.675 -1.770 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.552 3.888 -1.750 1.00 0.42 C ATOM 0 H LEU A 83 -8.002 1.264 -4.135 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.507 3.128 -2.590 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -6.865 3.153 -4.060 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.508 4.629 -3.366 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.566 3.505 -1.132 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.258 1.455 -0.799 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.672 1.183 -1.846 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.047 1.309 -2.560 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -5.116 3.623 -0.787 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.876 3.585 -2.550 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.707 4.966 -1.794 1.00 0.42 H new ATOM 993 N ASN A 84 -9.589 3.405 -5.815 1.00 0.74 N ATOM 994 CA ASN A 84 -10.193 4.128 -6.925 1.00 0.94 C ATOM 995 C ASN A 84 -11.714 4.053 -6.851 1.00 0.97 C ATOM 996 O ASN A 84 -12.410 5.008 -7.201 1.00 1.15 O ATOM 997 CB ASN A 84 -9.695 3.561 -8.258 1.00 1.04 C ATOM 998 CG ASN A 84 -10.174 4.362 -9.454 1.00 1.27 C ATOM 999 OD1 ASN A 84 -9.547 5.346 -9.845 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -11.270 3.934 -10.059 1.00 1.79 N ATOM 0 H ASN A 84 -9.161 2.516 -6.073 1.00 0.74 H new ATOM 0 HA ASN A 84 -9.898 5.175 -6.857 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -8.605 3.540 -8.254 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.034 2.530 -8.358 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -11.623 4.424 -10.881 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -11.761 3.114 -9.704 1.00 1.79 H new ATOM 1007 N SER A 85 -12.222 2.919 -6.383 1.00 0.87 N ATOM 1008 CA SER A 85 -13.659 2.719 -6.267 1.00 0.93 C ATOM 1009 C SER A 85 -14.184 3.275 -4.943 1.00 0.91 C ATOM 1010 O SER A 85 -15.384 3.500 -4.789 1.00 1.01 O ATOM 1011 CB SER A 85 -13.995 1.228 -6.388 1.00 0.98 C ATOM 1012 OG SER A 85 -15.398 1.007 -6.398 1.00 1.50 O ATOM 0 H SER A 85 -11.659 2.125 -6.078 1.00 0.87 H new ATOM 0 HA SER A 85 -14.146 3.260 -7.078 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.557 0.829 -7.303 1.00 0.98 H new ATOM 0 HB3 SER A 85 -13.546 0.685 -5.556 1.00 0.98 H new ATOM 0 HG SER A 85 -15.577 0.047 -6.478 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.283 3.497 -3.994 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.663 4.018 -2.687 1.00 0.95 C ATOM 1020 C ALA A 86 -13.755 5.540 -2.720 1.00 1.14 C ATOM 1021 O ALA A 86 -13.160 6.187 -3.581 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.671 3.565 -1.626 1.00 1.09 C ATOM 0 H ALA A 86 -12.284 3.324 -4.105 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.646 3.623 -2.432 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.969 3.963 -0.656 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.656 2.476 -1.583 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.676 3.932 -1.878 1.00 1.09 H new ATOM 1028 N SER A 87 -14.509 6.107 -1.788 1.00 1.41 N ATOM 1029 CA SER A 87 -14.693 7.546 -1.737 1.00 1.70 C ATOM 1030 C SER A 87 -14.948 8.007 -0.307 1.00 1.53 C ATOM 1031 O SER A 87 -15.641 7.337 0.460 1.00 1.80 O ATOM 1032 CB SER A 87 -15.862 7.956 -2.635 1.00 2.36 C ATOM 1033 OG SER A 87 -15.952 9.370 -2.756 1.00 3.09 O ATOM 0 H SER A 87 -15.001 5.591 -1.059 1.00 1.41 H new ATOM 0 HA SER A 87 -13.781 8.023 -2.096 1.00 1.70 H new ATOM 0 HB2 SER A 87 -15.737 7.512 -3.623 1.00 2.36 H new ATOM 0 HB3 SER A 87 -16.793 7.564 -2.225 1.00 2.36 H new ATOM 0 HG SER A 87 -15.078 9.771 -2.566 1.00 3.09 H new ATOM 1039 N ARG A 88 -14.385 9.156 0.040 1.00 1.60 N ATOM 1040 CA ARG A 88 -14.560 9.738 1.363 1.00 1.65 C ATOM 1041 C ARG A 88 -14.682 11.252 1.254 1.00 1.89 C ATOM 1042 O ARG A 88 -13.679 11.969 1.231 1.00 2.38 O ATOM 1043 CB ARG A 88 -13.391 9.375 2.282 1.00 2.05 C ATOM 1044 CG ARG A 88 -13.384 7.929 2.745 1.00 2.61 C ATOM 1045 CD ARG A 88 -14.525 7.649 3.707 1.00 3.30 C ATOM 1046 NE ARG A 88 -14.515 6.267 4.180 1.00 4.00 N ATOM 1047 CZ ARG A 88 -15.002 5.875 5.355 1.00 4.74 C ATOM 1048 NH1 ARG A 88 -15.514 6.767 6.193 1.00 4.99 N ATOM 1049 NH2 ARG A 88 -14.972 4.592 5.692 1.00 5.55 N ATOM 0 H ARG A 88 -13.797 9.708 -0.584 1.00 1.60 H new ATOM 0 HA ARG A 88 -15.474 9.332 1.795 1.00 1.65 H new ATOM 0 HB2 ARG A 88 -12.457 9.581 1.760 1.00 2.05 H new ATOM 0 HB3 ARG A 88 -13.417 10.024 3.157 1.00 2.05 H new ATOM 0 HG2 ARG A 88 -13.464 7.269 1.881 1.00 2.61 H new ATOM 0 HG3 ARG A 88 -12.434 7.705 3.230 1.00 2.61 H new ATOM 0 HD2 ARG A 88 -14.455 8.325 4.560 1.00 3.30 H new ATOM 0 HD3 ARG A 88 -15.475 7.856 3.214 1.00 3.30 H new ATOM 0 HE ARG A 88 -14.109 5.557 3.571 1.00 4.00 H new ATOM 0 HH11 ARG A 88 -15.535 7.754 5.937 1.00 4.99 H new ATOM 0 HH12 ARG A 88 -15.887 6.466 7.093 1.00 4.99 H new ATOM 0 HH21 ARG A 88 -14.575 3.905 5.050 1.00 5.55 H new ATOM 0 HH22 ARG A 88 -15.345 4.292 6.593 1.00 5.55 H new ATOM 1063 N VAL A 89 -15.912 11.729 1.160 1.00 1.99 N ATOM 1064 CA VAL A 89 -16.172 13.159 1.098 1.00 2.41 C ATOM 1065 C VAL A 89 -16.738 13.635 2.431 1.00 2.25 C ATOM 1066 O VAL A 89 -17.811 13.196 2.849 1.00 2.30 O ATOM 1067 CB VAL A 89 -17.156 13.513 -0.040 1.00 3.06 C ATOM 1068 CG1 VAL A 89 -17.375 15.017 -0.116 1.00 3.58 C ATOM 1069 CG2 VAL A 89 -16.650 12.978 -1.372 1.00 3.55 C ATOM 0 H VAL A 89 -16.748 11.146 1.125 1.00 1.99 H new ATOM 0 HA VAL A 89 -15.227 13.662 0.892 1.00 2.41 H new ATOM 0 HB VAL A 89 -18.113 13.040 0.179 1.00 3.06 H new ATOM 0 HG11 VAL A 89 -18.071 15.243 -0.924 1.00 3.58 H new ATOM 0 HG12 VAL A 89 -17.787 15.373 0.828 1.00 3.58 H new ATOM 0 HG13 VAL A 89 -16.424 15.514 -0.307 1.00 3.58 H new ATOM 0 HG21 VAL A 89 -17.357 13.237 -2.160 1.00 3.55 H new ATOM 0 HG22 VAL A 89 -15.679 13.419 -1.596 1.00 3.55 H new ATOM 0 HG23 VAL A 89 -16.552 11.894 -1.315 1.00 3.55 H new ATOM 1073 N PRO A 90 -16.022 14.536 3.117 1.00 2.60 N ATOM 1074 CA PRO A 90 -16.403 14.991 4.450 1.00 2.83 C ATOM 1075 C PRO A 90 -17.552 15.992 4.428 1.00 2.80 C ATOM 1076 O PRO A 90 -17.786 16.677 3.426 1.00 3.31 O ATOM 1077 CB PRO A 90 -15.127 15.654 4.965 1.00 3.67 C ATOM 1078 CG PRO A 90 -14.450 16.161 3.742 1.00 3.95 C ATOM 1079 CD PRO A 90 -14.789 15.189 2.642 1.00 3.27 C ATOM 0 HA PRO A 90 -16.763 14.171 5.072 1.00 2.83 H new ATOM 0 HB2 PRO A 90 -15.353 16.464 5.658 1.00 3.67 H new ATOM 0 HB3 PRO A 90 -14.498 14.942 5.500 1.00 3.67 H new ATOM 0 HG2 PRO A 90 -14.794 17.165 3.494 1.00 3.95 H new ATOM 0 HG3 PRO A 90 -13.372 16.221 3.890 1.00 3.95 H new ATOM 0 HD2 PRO A 90 -14.947 15.699 1.692 1.00 3.27 H new ATOM 0 HD3 PRO A 90 -13.988 14.466 2.486 1.00 3.27 H new ATOM 1087 N GLU A 91 -18.269 16.063 5.536 1.00 2.59 N ATOM 1088 CA GLU A 91 -19.360 17.010 5.687 1.00 2.75 C ATOM 1089 C GLU A 91 -19.055 17.972 6.829 1.00 2.55 C ATOM 1090 O GLU A 91 -18.286 17.645 7.734 1.00 2.93 O ATOM 1091 CB GLU A 91 -20.678 16.266 5.929 1.00 3.30 C ATOM 1092 CG GLU A 91 -20.618 15.265 7.071 1.00 3.94 C ATOM 1093 CD GLU A 91 -21.884 14.444 7.192 1.00 4.58 C ATOM 1094 OE1 GLU A 91 -22.846 14.908 7.840 1.00 5.02 O ATOM 1095 OE2 GLU A 91 -21.930 13.328 6.637 1.00 5.08 O ATOM 0 H GLU A 91 -18.113 15.470 6.351 1.00 2.59 H new ATOM 0 HA GLU A 91 -19.464 17.588 4.769 1.00 2.75 H new ATOM 0 HB2 GLU A 91 -21.462 16.994 6.137 1.00 3.30 H new ATOM 0 HB3 GLU A 91 -20.962 15.744 5.015 1.00 3.30 H new ATOM 0 HG2 GLU A 91 -19.770 14.598 6.920 1.00 3.94 H new ATOM 0 HG3 GLU A 91 -20.443 15.796 8.006 1.00 3.94 H new ATOM 1102 N SER A 92 -19.639 19.158 6.776 1.00 2.55 N ATOM 1103 CA SER A 92 -19.375 20.180 7.774 1.00 2.76 C ATOM 1104 C SER A 92 -20.256 19.984 9.006 1.00 2.95 C ATOM 1105 O SER A 92 -21.384 20.523 9.033 1.00 3.07 O ATOM 1106 CB SER A 92 -19.587 21.565 7.158 1.00 3.61 C ATOM 1107 OG SER A 92 -20.801 21.613 6.425 1.00 4.12 O ATOM 1108 OXT SER A 92 -19.819 19.286 9.944 1.00 3.54 O ATOM 0 H SER A 92 -20.300 19.436 6.051 1.00 2.55 H new ATOM 0 HA SER A 92 -18.339 20.096 8.101 1.00 2.76 H new ATOM 0 HB2 SER A 92 -19.603 22.319 7.945 1.00 3.61 H new ATOM 0 HB3 SER A 92 -18.751 21.807 6.501 1.00 3.61 H new ATOM 0 HG SER A 92 -21.534 21.281 6.984 1.00 4.12 H new TER 1114 SER A 92 ATOM 1115 N MET B 14 -13.861 12.945 -4.683 1.00 4.46 N ATOM 1116 CA MET B 14 -14.874 11.950 -5.110 1.00 3.81 C ATOM 1117 C MET B 14 -14.222 10.799 -5.877 1.00 2.82 C ATOM 1118 O MET B 14 -14.091 10.848 -7.101 1.00 2.99 O ATOM 1119 CB MET B 14 -15.963 12.625 -5.960 1.00 4.49 C ATOM 1120 CG MET B 14 -15.426 13.444 -7.124 1.00 5.01 C ATOM 1121 SD MET B 14 -16.732 14.230 -8.086 1.00 5.79 S ATOM 1122 CE MET B 14 -15.763 15.071 -9.335 1.00 6.44 C ATOM 0 HA MET B 14 -15.341 11.534 -4.217 1.00 3.81 H new ATOM 0 HB2 MET B 14 -16.633 11.858 -6.348 1.00 4.49 H new ATOM 0 HB3 MET B 14 -16.559 13.274 -5.318 1.00 4.49 H new ATOM 0 HG2 MET B 14 -14.751 14.210 -6.742 1.00 5.01 H new ATOM 0 HG3 MET B 14 -14.839 12.798 -7.777 1.00 5.01 H new ATOM 0 HE1 MET B 14 -16.428 15.607 -10.012 1.00 6.44 H new ATOM 0 HE2 MET B 14 -15.087 15.778 -8.855 1.00 6.44 H new ATOM 0 HE3 MET B 14 -15.183 14.340 -9.899 1.00 6.44 H new ATOM 1134 N MET B 15 -13.802 9.768 -5.138 1.00 2.12 N ATOM 1135 CA MET B 15 -13.181 8.577 -5.715 1.00 1.95 C ATOM 1136 C MET B 15 -11.868 8.913 -6.415 1.00 1.69 C ATOM 1137 O MET B 15 -11.367 10.036 -6.319 1.00 2.48 O ATOM 1138 CB MET B 15 -14.129 7.885 -6.702 1.00 2.52 C ATOM 1139 CG MET B 15 -15.339 7.237 -6.053 1.00 3.06 C ATOM 1140 SD MET B 15 -16.382 6.375 -7.245 1.00 3.93 S ATOM 1141 CE MET B 15 -17.694 5.789 -6.176 1.00 4.73 C ATOM 0 H MET B 15 -13.884 9.738 -4.122 1.00 2.12 H new ATOM 0 HA MET B 15 -12.969 7.897 -4.890 1.00 1.95 H new ATOM 0 HB2 MET B 15 -14.472 8.617 -7.433 1.00 2.52 H new ATOM 0 HB3 MET B 15 -13.573 7.124 -7.249 1.00 2.52 H new ATOM 0 HG2 MET B 15 -15.005 6.533 -5.291 1.00 3.06 H new ATOM 0 HG3 MET B 15 -15.928 8.001 -5.545 1.00 3.06 H new ATOM 0 HE1 MET B 15 -18.423 5.234 -6.766 1.00 4.73 H new ATOM 0 HE2 MET B 15 -17.275 5.137 -5.410 1.00 4.73 H new ATOM 0 HE3 MET B 15 -18.183 6.639 -5.701 1.00 4.73 H new ATOM 1151 N SER B 16 -11.320 7.915 -7.098 1.00 1.19 N ATOM 1152 CA SER B 16 -10.105 8.064 -7.894 1.00 1.17 C ATOM 1153 C SER B 16 -8.937 8.590 -7.065 1.00 1.05 C ATOM 1154 O SER B 16 -8.601 9.775 -7.120 1.00 1.91 O ATOM 1155 CB SER B 16 -10.354 8.988 -9.089 1.00 1.62 C ATOM 1156 OG SER B 16 -11.448 8.532 -9.871 1.00 2.01 O ATOM 0 H SER B 16 -11.708 6.972 -7.116 1.00 1.19 H new ATOM 0 HA SER B 16 -9.836 7.071 -8.255 1.00 1.17 H new ATOM 0 HB2 SER B 16 -10.553 9.999 -8.735 1.00 1.62 H new ATOM 0 HB3 SER B 16 -9.457 9.038 -9.707 1.00 1.62 H new ATOM 0 HG SER B 16 -11.586 9.141 -10.626 1.00 2.01 H new ATOM 1162 N ALA B 17 -8.327 7.710 -6.291 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.124 8.060 -5.560 1.00 0.81 C ATOM 1164 C ALA B 17 -5.956 8.183 -6.527 1.00 0.69 C ATOM 1165 O ALA B 17 -5.698 7.273 -7.316 1.00 0.71 O ATOM 1166 CB ALA B 17 -6.832 7.019 -4.493 1.00 1.09 C ATOM 0 H ALA B 17 -8.644 6.750 -6.153 1.00 0.94 H new ATOM 0 HA ALA B 17 -7.272 9.019 -5.064 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -5.926 7.296 -3.953 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -7.669 6.968 -3.796 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -6.691 6.046 -4.963 1.00 1.09 H new ATOM 1172 N SER B 18 -5.273 9.315 -6.488 1.00 0.64 N ATOM 1173 CA SER B 18 -4.156 9.556 -7.386 1.00 0.61 C ATOM 1174 C SER B 18 -2.928 8.774 -6.918 1.00 0.50 C ATOM 1175 O SER B 18 -2.897 8.303 -5.781 1.00 0.45 O ATOM 1176 CB SER B 18 -3.846 11.052 -7.438 1.00 0.67 C ATOM 1177 OG SER B 18 -5.039 11.813 -7.554 1.00 1.33 O ATOM 0 H SER B 18 -5.472 10.081 -5.845 1.00 0.64 H new ATOM 0 HA SER B 18 -4.423 9.217 -8.387 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.308 11.347 -6.537 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.192 11.263 -8.284 1.00 0.67 H new ATOM 0 HG SER B 18 -5.474 11.875 -6.678 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.924 8.642 -7.784 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.714 7.877 -7.464 1.00 0.43 C ATOM 1185 C LYS B 19 -0.123 8.306 -6.123 1.00 0.35 C ATOM 1186 O LYS B 19 0.083 7.482 -5.228 1.00 0.28 O ATOM 1187 CB LYS B 19 0.336 8.049 -8.566 1.00 0.54 C ATOM 1188 CG LYS B 19 -0.101 7.523 -9.923 1.00 0.85 C ATOM 1189 CD LYS B 19 0.946 7.808 -10.990 1.00 1.13 C ATOM 1190 CE LYS B 19 0.504 7.302 -12.352 1.00 1.74 C ATOM 1191 NZ LYS B 19 1.499 7.614 -13.415 1.00 2.10 N ATOM 0 H LYS B 19 -1.923 9.056 -8.716 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.998 6.827 -7.396 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.580 9.107 -8.659 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.250 7.536 -8.266 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.276 6.449 -9.860 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -1.047 7.984 -10.207 1.00 0.85 H new ATOM 0 HD2 LYS B 19 1.132 8.881 -11.042 1.00 1.13 H new ATOM 0 HD3 LYS B 19 1.888 7.335 -10.713 1.00 1.13 H new ATOM 0 HE2 LYS B 19 0.350 6.224 -12.305 1.00 1.74 H new ATOM 0 HE3 LYS B 19 -0.455 7.750 -12.611 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 1.107 7.358 -14.344 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 1.717 8.631 -13.399 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 2.370 7.071 -13.246 1.00 2.10 H new ATOM 1205 N GLU B 20 0.134 9.604 -5.992 1.00 0.41 N ATOM 1206 CA GLU B 20 0.698 10.173 -4.768 1.00 0.42 C ATOM 1207 C GLU B 20 -0.188 9.883 -3.556 1.00 0.34 C ATOM 1208 O GLU B 20 0.306 9.651 -2.456 1.00 0.30 O ATOM 1209 CB GLU B 20 0.871 11.688 -4.926 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.413 12.403 -5.325 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.273 13.908 -5.374 1.00 0.95 C ATOM 1212 OE1 GLU B 20 0.602 14.408 -6.107 1.00 1.49 O ATOM 1213 OE2 GLU B 20 -1.057 14.604 -4.696 1.00 1.58 O ATOM 0 H GLU B 20 -0.041 10.290 -6.726 1.00 0.41 H new ATOM 0 HA GLU B 20 1.669 9.706 -4.600 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.234 12.105 -3.987 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.636 11.883 -5.678 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.731 12.043 -6.303 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.200 12.142 -4.618 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.494 9.877 -3.779 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.462 9.737 -2.703 1.00 0.39 C ATOM 1222 C GLU B 21 -2.545 8.288 -2.238 1.00 0.32 C ATOM 1223 O GLU B 21 -2.697 8.012 -1.049 1.00 0.33 O ATOM 1224 CB GLU B 21 -3.823 10.241 -3.181 1.00 0.50 C ATOM 1225 CG GLU B 21 -3.765 11.668 -3.712 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.107 12.203 -4.159 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -5.808 11.504 -4.923 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -5.462 13.330 -3.756 1.00 1.49 O ATOM 0 H GLU B 21 -1.910 9.969 -4.706 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.143 10.336 -1.850 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.197 9.581 -3.964 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.534 10.192 -2.357 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -3.364 12.320 -2.936 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.070 11.707 -4.551 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.427 7.365 -3.185 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.369 5.947 -2.865 1.00 0.29 C ATOM 1237 C ILE B 22 -1.102 5.650 -2.072 1.00 0.24 C ATOM 1238 O ILE B 22 -1.148 5.026 -1.012 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.382 5.082 -4.143 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.679 5.315 -4.920 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.216 3.605 -3.793 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.680 4.712 -6.307 1.00 0.44 C ATOM 0 H ILE B 22 -2.370 7.575 -4.181 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.249 5.700 -2.272 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.543 5.374 -4.774 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.511 4.898 -4.353 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.855 6.388 -5.001 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.228 3.011 -4.707 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.267 3.458 -3.277 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.034 3.290 -3.145 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.633 4.920 -6.793 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.871 5.147 -6.893 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.537 3.634 -6.235 1.00 0.44 H new ATOM 1249 N ALA B 23 0.024 6.130 -2.591 1.00 0.20 N ATOM 1250 CA ALA B 23 1.318 5.930 -1.952 1.00 0.19 C ATOM 1251 C ALA B 23 1.339 6.540 -0.559 1.00 0.20 C ATOM 1252 O ALA B 23 1.957 5.994 0.356 1.00 0.20 O ATOM 1253 CB ALA B 23 2.425 6.525 -2.802 1.00 0.20 C ATOM 0 H ALA B 23 0.065 6.664 -3.459 1.00 0.20 H new ATOM 0 HA ALA B 23 1.485 4.857 -1.856 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.385 6.367 -2.311 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.433 6.042 -3.779 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.253 7.594 -2.927 1.00 0.20 H new ATOM 1259 N ALA B 24 0.657 7.669 -0.407 1.00 0.22 N ATOM 1260 CA ALA B 24 0.544 8.332 0.883 1.00 0.25 C ATOM 1261 C ALA B 24 -0.064 7.394 1.919 1.00 0.23 C ATOM 1262 O ALA B 24 0.417 7.305 3.045 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.287 9.599 0.754 1.00 0.31 C ATOM 0 H ALA B 24 0.172 8.145 -1.167 1.00 0.22 H new ATOM 0 HA ALA B 24 1.544 8.606 1.219 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.363 10.085 1.727 1.00 0.31 H new ATOM 0 HB2 ALA B 24 0.190 10.277 0.046 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.285 9.345 0.396 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.111 6.679 1.528 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.750 5.713 2.413 1.00 0.23 C ATOM 1271 C LEU B 25 -0.861 4.501 2.635 1.00 0.22 C ATOM 1272 O LEU B 25 -0.855 3.915 3.717 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.087 5.257 1.842 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.232 6.247 1.993 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.456 5.717 1.284 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.537 6.495 3.465 1.00 0.43 C ATOM 0 H LEU B 25 -1.536 6.750 0.603 1.00 0.23 H new ATOM 0 HA LEU B 25 -1.917 6.210 3.369 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -2.955 5.039 0.782 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.370 4.323 2.327 1.00 0.26 H new ATOM 0 HG LEU B 25 -3.940 7.196 1.543 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.276 6.427 1.393 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.233 5.580 0.226 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.744 4.761 1.721 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.359 7.206 3.552 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -4.818 5.556 3.942 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.653 6.901 3.956 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.121 4.126 1.602 1.00 0.20 N ATOM 1289 CA ILE B 26 0.781 2.990 1.685 1.00 0.21 C ATOM 1290 C ILE B 26 1.853 3.230 2.745 1.00 0.20 C ATOM 1291 O ILE B 26 2.057 2.400 3.633 1.00 0.22 O ATOM 1292 CB ILE B 26 1.443 2.698 0.321 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.374 2.347 -0.721 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.455 1.570 0.453 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.929 2.068 -2.101 1.00 0.27 C ATOM 0 H ILE B 26 -0.129 4.594 0.696 1.00 0.20 H new ATOM 0 HA ILE B 26 0.189 2.120 1.970 1.00 0.21 H new ATOM 0 HB ILE B 26 1.970 3.592 -0.012 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.179 1.472 -0.379 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.339 3.169 -0.786 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.913 1.376 -0.517 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.227 1.855 1.168 1.00 0.24 H new ATOM 0 HG23 ILE B 26 1.952 0.669 0.803 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.111 1.828 -2.780 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.457 2.949 -2.466 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.619 1.226 -2.052 1.00 0.27 H new ATOM 1302 N VAL B 27 2.519 4.378 2.668 1.00 0.18 N ATOM 1303 CA VAL B 27 3.541 4.721 3.648 1.00 0.20 C ATOM 1304 C VAL B 27 2.902 5.054 4.997 1.00 0.22 C ATOM 1305 O VAL B 27 3.506 4.838 6.047 1.00 0.23 O ATOM 1306 CB VAL B 27 4.436 5.892 3.178 1.00 0.21 C ATOM 1307 CG1 VAL B 27 5.176 5.516 1.905 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.626 7.164 2.969 1.00 0.21 C ATOM 0 H VAL B 27 2.371 5.080 1.943 1.00 0.18 H new ATOM 0 HA VAL B 27 4.181 3.846 3.760 1.00 0.20 H new ATOM 0 HB VAL B 27 5.166 6.090 3.963 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.801 6.351 1.588 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.803 4.644 2.092 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.456 5.283 1.121 1.00 0.21 H new ATOM 0 HG21 VAL B 27 4.287 7.966 2.639 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.862 6.989 2.212 1.00 0.21 H new ATOM 0 HG23 VAL B 27 3.149 7.450 3.906 1.00 0.21 H new ATOM 1312 N ASN B 28 1.672 5.564 4.959 1.00 0.25 N ATOM 1313 CA ASN B 28 0.902 5.826 6.174 1.00 0.32 C ATOM 1314 C ASN B 28 0.648 4.530 6.932 1.00 0.27 C ATOM 1315 O ASN B 28 0.780 4.479 8.153 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.432 6.498 5.832 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.387 6.558 7.011 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.197 5.651 7.214 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.306 7.624 7.790 1.00 0.86 N ATOM 0 H ASN B 28 1.185 5.805 4.096 1.00 0.25 H new ATOM 0 HA ASN B 28 1.482 6.498 6.806 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.241 7.510 5.474 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -0.907 5.955 5.015 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -1.928 7.717 8.593 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -0.622 8.353 7.588 1.00 0.86 H new ATOM 1326 N TYR B 29 0.286 3.488 6.195 1.00 0.25 N ATOM 1327 CA TYR B 29 0.057 2.176 6.780 1.00 0.24 C ATOM 1328 C TYR B 29 1.313 1.685 7.488 1.00 0.18 C ATOM 1329 O TYR B 29 1.266 1.311 8.656 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.376 1.182 5.698 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.500 -0.247 6.181 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.298 -0.572 7.271 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.183 -1.272 5.539 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.409 -1.878 7.710 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.075 -2.581 5.971 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.721 -2.877 7.056 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.824 -4.178 7.493 1.00 0.49 O ATOM 0 H TYR B 29 0.144 3.528 5.186 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.743 2.255 7.516 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.336 1.501 5.291 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.344 1.216 4.880 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.840 0.209 7.784 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.808 -1.043 4.689 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.031 -2.114 8.561 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.612 -3.367 5.461 1.00 1.25 H new ATOM 0 HH TYR B 29 -0.480 -4.783 6.803 1.00 0.49 H new ATOM 1347 N PHE B 30 2.435 1.719 6.780 1.00 0.16 N ATOM 1348 CA PHE B 30 3.710 1.294 7.346 1.00 0.16 C ATOM 1349 C PHE B 30 4.084 2.156 8.549 1.00 0.18 C ATOM 1350 O PHE B 30 4.547 1.646 9.570 1.00 0.21 O ATOM 1351 CB PHE B 30 4.816 1.363 6.291 1.00 0.19 C ATOM 1352 CG PHE B 30 4.606 0.456 5.111 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.017 -0.789 5.265 1.00 1.17 C ATOM 1354 CD2 PHE B 30 5.011 0.848 3.847 1.00 1.20 C ATOM 1355 CE1 PHE B 30 3.837 -1.623 4.180 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.832 0.017 2.758 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.244 -1.220 2.926 1.00 0.25 C ATOM 0 H PHE B 30 2.488 2.037 5.812 1.00 0.16 H new ATOM 0 HA PHE B 30 3.603 0.261 7.678 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.898 2.390 5.935 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.767 1.112 6.762 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.695 -1.110 6.245 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.472 1.815 3.710 1.00 1.20 H new ATOM 0 HE1 PHE B 30 3.377 -2.591 4.313 1.00 1.16 H new ATOM 0 HE2 PHE B 30 5.152 0.335 1.777 1.00 1.22 H new ATOM 0 HZ PHE B 30 4.103 -1.872 2.076 1.00 0.25 H new ATOM 1367 N SER B 31 3.867 3.462 8.422 1.00 0.21 N ATOM 1368 CA SER B 31 4.132 4.399 9.507 1.00 0.26 C ATOM 1369 C SER B 31 3.275 4.056 10.727 1.00 0.25 C ATOM 1370 O SER B 31 3.752 4.072 11.857 1.00 0.27 O ATOM 1371 CB SER B 31 3.851 5.832 9.038 1.00 0.35 C ATOM 1372 OG SER B 31 4.185 6.785 10.034 1.00 1.15 O ATOM 0 H SER B 31 3.506 3.896 7.573 1.00 0.21 H new ATOM 0 HA SER B 31 5.181 4.323 9.793 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.422 6.037 8.132 1.00 0.35 H new ATOM 0 HB3 SER B 31 2.797 5.930 8.779 1.00 0.35 H new ATOM 0 HG SER B 31 3.995 7.687 9.701 1.00 1.15 H new ATOM 1378 N SER B 32 2.015 3.720 10.481 1.00 0.27 N ATOM 1379 CA SER B 32 1.098 3.337 11.544 1.00 0.30 C ATOM 1380 C SER B 32 1.554 2.032 12.199 1.00 0.28 C ATOM 1381 O SER B 32 1.482 1.880 13.422 1.00 0.36 O ATOM 1382 CB SER B 32 -0.319 3.187 10.977 1.00 0.40 C ATOM 1383 OG SER B 32 -1.263 2.928 12.000 1.00 0.99 O ATOM 0 H SER B 32 1.604 3.705 9.548 1.00 0.27 H new ATOM 0 HA SER B 32 1.093 4.117 12.306 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.597 4.097 10.446 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.337 2.375 10.250 1.00 0.40 H new ATOM 0 HG SER B 32 -2.156 2.839 11.606 1.00 0.99 H new ATOM 1389 N ILE B 33 2.036 1.102 11.379 1.00 0.24 N ATOM 1390 CA ILE B 33 2.532 -0.177 11.869 1.00 0.27 C ATOM 1391 C ILE B 33 3.669 0.023 12.868 1.00 0.26 C ATOM 1392 O ILE B 33 3.642 -0.524 13.971 1.00 0.32 O ATOM 1393 CB ILE B 33 3.033 -1.074 10.715 1.00 0.30 C ATOM 1394 CG1 ILE B 33 1.889 -1.451 9.776 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.692 -2.330 11.260 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.323 -2.344 8.634 1.00 0.34 C ATOM 0 H ILE B 33 2.093 1.213 10.367 1.00 0.24 H new ATOM 0 HA ILE B 33 1.694 -0.670 12.362 1.00 0.27 H new ATOM 0 HB ILE B 33 3.771 -0.505 10.149 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.110 -1.956 10.347 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.447 -0.541 9.369 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.038 -2.948 10.432 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.541 -2.053 11.885 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.971 -2.891 11.855 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.463 -2.574 8.005 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.081 -1.833 8.040 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.739 -3.269 9.033 1.00 0.34 H new ATOM 1403 N VAL B 34 4.660 0.816 12.484 1.00 0.25 N ATOM 1404 CA VAL B 34 5.822 1.038 13.334 1.00 0.31 C ATOM 1405 C VAL B 34 5.487 1.973 14.496 1.00 0.37 C ATOM 1406 O VAL B 34 6.126 1.926 15.547 1.00 0.47 O ATOM 1407 CB VAL B 34 7.022 1.599 12.534 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.426 0.633 11.431 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.705 2.969 11.950 1.00 0.33 C ATOM 0 H VAL B 34 4.683 1.314 11.594 1.00 0.25 H new ATOM 0 HA VAL B 34 6.107 0.066 13.736 1.00 0.31 H new ATOM 0 HB VAL B 34 7.858 1.713 13.223 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.271 1.044 10.879 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.710 -0.323 11.871 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.587 0.485 10.752 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.568 3.336 11.394 1.00 0.33 H new ATOM 0 HG22 VAL B 34 5.849 2.890 11.280 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.471 3.663 12.757 1.00 0.33 H new ATOM 1413 N GLU B 35 4.463 2.800 14.307 1.00 0.35 N ATOM 1414 CA GLU B 35 4.032 3.749 15.328 1.00 0.46 C ATOM 1415 C GLU B 35 3.530 3.023 16.572 1.00 0.51 C ATOM 1416 O GLU B 35 3.879 3.388 17.694 1.00 0.62 O ATOM 1417 CB GLU B 35 2.934 4.659 14.772 1.00 0.51 C ATOM 1418 CG GLU B 35 2.462 5.724 15.746 1.00 0.70 C ATOM 1419 CD GLU B 35 1.386 6.611 15.158 1.00 1.49 C ATOM 1420 OE1 GLU B 35 0.199 6.230 15.218 1.00 2.22 O ATOM 1421 OE2 GLU B 35 1.720 7.694 14.637 1.00 2.19 O ATOM 0 H GLU B 35 3.913 2.832 13.449 1.00 0.35 H new ATOM 0 HA GLU B 35 4.891 4.357 15.611 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.302 5.145 13.869 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.082 4.046 14.479 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.080 5.244 16.647 1.00 0.70 H new ATOM 0 HG3 GLU B 35 3.311 6.338 16.047 1.00 0.70 H new ATOM 1428 N LYS B 36 2.720 1.991 16.372 1.00 0.47 N ATOM 1429 CA LYS B 36 2.170 1.236 17.492 1.00 0.55 C ATOM 1430 C LYS B 36 2.947 -0.059 17.719 1.00 0.51 C ATOM 1431 O LYS B 36 2.542 -0.914 18.511 1.00 0.61 O ATOM 1432 CB LYS B 36 0.682 0.935 17.265 1.00 0.67 C ATOM 1433 CG LYS B 36 0.397 0.124 16.010 1.00 0.71 C ATOM 1434 CD LYS B 36 -1.095 -0.096 15.819 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.388 -0.917 14.573 1.00 1.42 C ATOM 1436 NZ LYS B 36 -2.849 -1.113 14.363 1.00 2.08 N ATOM 0 H LYS B 36 2.431 1.659 15.452 1.00 0.47 H new ATOM 0 HA LYS B 36 2.267 1.850 18.387 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.296 0.395 18.129 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.136 1.877 17.208 1.00 0.67 H new ATOM 0 HG2 LYS B 36 0.804 0.640 15.141 1.00 0.71 H new ATOM 0 HG3 LYS B 36 0.903 -0.839 16.075 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -1.503 -0.603 16.693 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.599 0.868 15.746 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.960 -0.419 13.703 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -0.900 -1.888 14.656 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -3.003 -1.678 13.503 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -3.254 -1.611 15.182 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -3.312 -0.188 14.257 1.00 2.08 H new ATOM 1450 N LYS B 37 4.078 -0.171 17.014 1.00 0.48 N ATOM 1451 CA LYS B 37 4.936 -1.355 17.054 1.00 0.55 C ATOM 1452 C LYS B 37 4.119 -2.622 16.808 1.00 0.59 C ATOM 1453 O LYS B 37 4.038 -3.515 17.649 1.00 0.76 O ATOM 1454 CB LYS B 37 5.702 -1.429 18.380 1.00 0.72 C ATOM 1455 CG LYS B 37 6.775 -2.511 18.409 1.00 1.19 C ATOM 1456 CD LYS B 37 7.716 -2.343 19.592 1.00 1.42 C ATOM 1457 CE LYS B 37 8.599 -1.113 19.433 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.530 -0.942 20.579 1.00 2.60 N ATOM 0 H LYS B 37 4.424 0.563 16.396 1.00 0.48 H new ATOM 0 HA LYS B 37 5.672 -1.274 16.254 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.168 -0.463 18.575 1.00 0.72 H new ATOM 0 HB3 LYS B 37 4.994 -1.610 19.189 1.00 0.72 H new ATOM 0 HG2 LYS B 37 6.301 -3.491 18.458 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.348 -2.480 17.482 1.00 1.19 H new ATOM 0 HD2 LYS B 37 7.136 -2.259 20.511 1.00 1.42 H new ATOM 0 HD3 LYS B 37 8.341 -3.231 19.690 1.00 1.42 H new ATOM 0 HE2 LYS B 37 9.172 -1.196 18.510 1.00 1.99 H new ATOM 0 HE3 LYS B 37 7.972 -0.226 19.340 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.112 -0.093 20.430 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 8.983 -0.837 21.458 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 10.147 -1.776 20.653 1.00 2.60 H new ATOM 1472 N GLU B 38 3.512 -2.681 15.636 1.00 0.54 N ATOM 1473 CA GLU B 38 2.659 -3.794 15.256 1.00 0.69 C ATOM 1474 C GLU B 38 3.485 -4.820 14.491 1.00 0.69 C ATOM 1475 O GLU B 38 3.042 -5.937 14.221 1.00 1.03 O ATOM 1476 CB GLU B 38 1.499 -3.270 14.401 1.00 0.79 C ATOM 1477 CG GLU B 38 0.492 -4.324 13.979 1.00 1.35 C ATOM 1478 CD GLU B 38 -0.183 -5.000 15.153 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -1.073 -4.379 15.771 1.00 2.11 O ATOM 1480 OE2 GLU B 38 0.156 -6.164 15.445 1.00 1.86 O ATOM 0 H GLU B 38 3.596 -1.959 14.921 1.00 0.54 H new ATOM 0 HA GLU B 38 2.245 -4.276 16.142 1.00 0.69 H new ATOM 0 HB2 GLU B 38 0.977 -2.492 14.959 1.00 0.79 H new ATOM 0 HB3 GLU B 38 1.909 -2.800 13.507 1.00 0.79 H new ATOM 0 HG2 GLU B 38 -0.267 -3.862 13.348 1.00 1.35 H new ATOM 0 HG3 GLU B 38 0.995 -5.077 13.373 1.00 1.35 H new ATOM 1487 N ILE B 39 4.698 -4.422 14.159 1.00 0.42 N ATOM 1488 CA ILE B 39 5.612 -5.270 13.413 1.00 0.43 C ATOM 1489 C ILE B 39 6.883 -5.502 14.226 1.00 0.48 C ATOM 1490 O ILE B 39 7.172 -4.752 15.163 1.00 0.52 O ATOM 1491 CB ILE B 39 5.955 -4.629 12.048 1.00 0.38 C ATOM 1492 CG1 ILE B 39 6.565 -5.657 11.092 1.00 0.46 C ATOM 1493 CG2 ILE B 39 6.898 -3.443 12.230 1.00 0.36 C ATOM 1494 CD1 ILE B 39 6.748 -5.132 9.683 1.00 0.47 C ATOM 0 H ILE B 39 5.078 -3.506 14.397 1.00 0.42 H new ATOM 0 HA ILE B 39 5.130 -6.230 13.228 1.00 0.43 H new ATOM 0 HB ILE B 39 5.026 -4.268 11.607 1.00 0.38 H new ATOM 0 HG12 ILE B 39 7.532 -5.976 11.482 1.00 0.46 H new ATOM 0 HG13 ILE B 39 5.926 -6.540 11.063 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.126 -3.007 11.257 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.422 -2.693 12.861 1.00 0.36 H new ATOM 0 HG23 ILE B 39 7.821 -3.781 12.702 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.184 -5.911 9.058 1.00 0.47 H new ATOM 0 HD12 ILE B 39 5.780 -4.839 9.275 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.411 -4.267 9.700 1.00 0.47 H new ATOM 1501 N SER B 40 7.620 -6.550 13.887 1.00 0.55 N ATOM 1502 CA SER B 40 8.869 -6.860 14.561 1.00 0.62 C ATOM 1503 C SER B 40 9.938 -5.834 14.188 1.00 0.53 C ATOM 1504 O SER B 40 9.842 -5.209 13.129 1.00 0.48 O ATOM 1505 CB SER B 40 9.325 -8.272 14.184 1.00 0.77 C ATOM 1506 OG SER B 40 8.278 -9.212 14.378 1.00 1.82 O ATOM 0 H SER B 40 7.371 -7.203 13.144 1.00 0.55 H new ATOM 0 HA SER B 40 8.713 -6.818 15.639 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.646 -8.289 13.142 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.188 -8.553 14.788 1.00 0.77 H new ATOM 0 HG SER B 40 8.591 -10.107 14.129 1.00 1.82 H new ATOM 1512 N GLU B 41 10.939 -5.653 15.040 1.00 0.59 N ATOM 1513 CA GLU B 41 11.948 -4.614 14.825 1.00 0.60 C ATOM 1514 C GLU B 41 12.599 -4.732 13.448 1.00 0.49 C ATOM 1515 O GLU B 41 12.772 -3.733 12.745 1.00 0.46 O ATOM 1516 CB GLU B 41 13.017 -4.666 15.914 1.00 0.78 C ATOM 1517 CG GLU B 41 12.475 -4.394 17.305 1.00 1.08 C ATOM 1518 CD GLU B 41 13.571 -4.295 18.340 1.00 1.44 C ATOM 1519 OE1 GLU B 41 14.011 -5.344 18.848 1.00 1.99 O ATOM 1520 OE2 GLU B 41 13.995 -3.164 18.654 1.00 2.19 O ATOM 0 H GLU B 41 11.077 -6.208 15.885 1.00 0.59 H new ATOM 0 HA GLU B 41 11.436 -3.653 14.873 1.00 0.60 H new ATOM 0 HB2 GLU B 41 13.490 -5.648 15.902 1.00 0.78 H new ATOM 0 HB3 GLU B 41 13.793 -3.936 15.686 1.00 0.78 H new ATOM 0 HG2 GLU B 41 11.904 -3.466 17.294 1.00 1.08 H new ATOM 0 HG3 GLU B 41 11.785 -5.190 17.585 1.00 1.08 H new ATOM 1527 N ASP B 42 12.942 -5.955 13.060 1.00 0.52 N ATOM 1528 CA ASP B 42 13.568 -6.206 11.761 1.00 0.51 C ATOM 1529 C ASP B 42 12.646 -5.778 10.624 1.00 0.43 C ATOM 1530 O ASP B 42 13.105 -5.286 9.592 1.00 0.47 O ATOM 1531 CB ASP B 42 13.931 -7.688 11.608 1.00 0.61 C ATOM 1532 CG ASP B 42 12.714 -8.590 11.544 1.00 1.49 C ATOM 1533 OD1 ASP B 42 12.180 -8.946 12.613 1.00 2.29 O ATOM 1534 OD2 ASP B 42 12.280 -8.939 10.425 1.00 2.20 O ATOM 0 H ASP B 42 12.798 -6.792 13.625 1.00 0.52 H new ATOM 0 HA ASP B 42 14.482 -5.615 11.712 1.00 0.51 H new ATOM 0 HB2 ASP B 42 14.523 -7.820 10.702 1.00 0.61 H new ATOM 0 HB3 ASP B 42 14.558 -7.992 12.446 1.00 0.61 H new ATOM 1539 N GLY B 43 11.345 -5.957 10.831 1.00 0.39 N ATOM 1540 CA GLY B 43 10.370 -5.562 9.836 1.00 0.37 C ATOM 1541 C GLY B 43 10.197 -4.061 9.787 1.00 0.34 C ATOM 1542 O GLY B 43 9.998 -3.483 8.721 1.00 0.34 O ATOM 0 H GLY B 43 10.949 -6.371 11.675 1.00 0.39 H new ATOM 0 HA2 GLY B 43 10.682 -5.924 8.857 1.00 0.37 H new ATOM 0 HA3 GLY B 43 9.412 -6.032 10.059 1.00 0.37 H new ATOM 1546 N ALA B 44 10.273 -3.426 10.947 1.00 0.33 N ATOM 1547 CA ALA B 44 10.201 -1.975 11.024 1.00 0.33 C ATOM 1548 C ALA B 44 11.416 -1.355 10.344 1.00 0.32 C ATOM 1549 O ALA B 44 11.324 -0.314 9.697 1.00 0.31 O ATOM 1550 CB ALA B 44 10.114 -1.526 12.476 1.00 0.38 C ATOM 0 H ALA B 44 10.384 -3.892 11.847 1.00 0.33 H new ATOM 0 HA ALA B 44 9.303 -1.639 10.507 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.061 -0.438 12.518 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.222 -1.951 12.935 1.00 0.38 H new ATOM 0 HB3 ALA B 44 10.997 -1.867 13.016 1.00 0.38 H new ATOM 1556 N ASP B 45 12.550 -2.030 10.485 1.00 0.36 N ATOM 1557 CA ASP B 45 13.802 -1.587 9.884 1.00 0.38 C ATOM 1558 C ASP B 45 13.721 -1.628 8.361 1.00 0.36 C ATOM 1559 O ASP B 45 14.115 -0.677 7.682 1.00 0.37 O ATOM 1560 CB ASP B 45 14.957 -2.464 10.369 1.00 0.48 C ATOM 1561 CG ASP B 45 16.279 -2.086 9.735 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.921 -1.130 10.219 1.00 1.84 O ATOM 1563 OD2 ASP B 45 16.683 -2.747 8.754 1.00 1.81 O ATOM 0 H ASP B 45 12.628 -2.897 11.017 1.00 0.36 H new ATOM 0 HA ASP B 45 13.981 -0.556 10.190 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.041 -2.382 11.453 1.00 0.48 H new ATOM 0 HB3 ASP B 45 14.735 -3.507 10.145 1.00 0.48 H new ATOM 1568 N SER B 46 13.194 -2.721 7.828 1.00 0.37 N ATOM 1569 CA SER B 46 13.054 -2.872 6.389 1.00 0.40 C ATOM 1570 C SER B 46 12.026 -1.884 5.836 1.00 0.36 C ATOM 1571 O SER B 46 12.143 -1.417 4.704 1.00 0.38 O ATOM 1572 CB SER B 46 12.684 -4.318 6.049 1.00 0.50 C ATOM 1573 OG SER B 46 11.897 -4.893 7.076 1.00 0.98 O ATOM 0 H SER B 46 12.857 -3.516 8.371 1.00 0.37 H new ATOM 0 HA SER B 46 14.009 -2.645 5.915 1.00 0.40 H new ATOM 0 HB2 SER B 46 12.136 -4.346 5.107 1.00 0.50 H new ATOM 0 HB3 SER B 46 13.591 -4.906 5.908 1.00 0.50 H new ATOM 0 HG SER B 46 11.267 -4.225 7.419 1.00 0.98 H new ATOM 1579 N LEU B 47 11.036 -1.541 6.653 1.00 0.32 N ATOM 1580 CA LEU B 47 10.049 -0.539 6.272 1.00 0.30 C ATOM 1581 C LEU B 47 10.664 0.857 6.243 1.00 0.27 C ATOM 1582 O LEU B 47 10.129 1.761 5.607 1.00 0.28 O ATOM 1583 CB LEU B 47 8.851 -0.560 7.225 1.00 0.30 C ATOM 1584 CG LEU B 47 7.950 -1.791 7.115 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.804 -1.702 8.110 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.418 -1.936 5.697 1.00 0.41 C ATOM 0 H LEU B 47 10.896 -1.941 7.581 1.00 0.32 H new ATOM 0 HA LEU B 47 9.703 -0.787 5.268 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.220 -0.491 8.248 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.247 0.329 7.043 1.00 0.30 H new ATOM 0 HG LEU B 47 8.542 -2.675 7.352 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.173 -2.586 8.018 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.205 -1.646 9.122 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.212 -0.810 7.904 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.779 -2.817 5.636 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.841 -1.050 5.433 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.253 -2.045 5.005 1.00 0.41 H new ATOM 1598 N ASN B 48 11.789 1.033 6.924 1.00 0.26 N ATOM 1599 CA ASN B 48 12.465 2.325 6.948 1.00 0.26 C ATOM 1600 C ASN B 48 13.156 2.597 5.619 1.00 0.27 C ATOM 1601 O ASN B 48 12.985 3.667 5.035 1.00 0.32 O ATOM 1602 CB ASN B 48 13.483 2.398 8.091 1.00 0.28 C ATOM 1603 CG ASN B 48 12.836 2.486 9.460 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.377 1.982 10.445 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.689 3.148 9.541 1.00 0.40 N ATOM 0 H ASN B 48 12.251 0.302 7.465 1.00 0.26 H new ATOM 0 HA ASN B 48 11.706 3.090 7.114 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.124 1.517 8.055 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.125 3.266 7.943 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.224 3.254 10.443 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.273 3.551 8.702 1.00 0.40 H new ATOM 1612 N VAL B 49 13.930 1.630 5.132 1.00 0.27 N ATOM 1613 CA VAL B 49 14.597 1.786 3.842 1.00 0.29 C ATOM 1614 C VAL B 49 13.560 1.835 2.721 1.00 0.29 C ATOM 1615 O VAL B 49 13.748 2.518 1.710 1.00 0.32 O ATOM 1616 CB VAL B 49 15.635 0.665 3.571 1.00 0.32 C ATOM 1617 CG1 VAL B 49 14.976 -0.700 3.459 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.441 0.970 2.316 1.00 0.36 C ATOM 0 H VAL B 49 14.109 0.743 5.603 1.00 0.27 H new ATOM 0 HA VAL B 49 15.147 2.726 3.872 1.00 0.29 H new ATOM 0 HB VAL B 49 16.312 0.636 4.425 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.737 -1.457 3.269 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.458 -0.931 4.390 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.260 -0.692 2.638 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.163 0.172 2.144 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.769 1.042 1.461 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.969 1.915 2.443 1.00 0.36 H new ATOM 1622 N ALA B 50 12.454 1.129 2.924 1.00 0.30 N ATOM 1623 CA ALA B 50 11.340 1.168 1.992 1.00 0.34 C ATOM 1624 C ALA B 50 10.703 2.549 1.988 1.00 0.33 C ATOM 1625 O ALA B 50 10.396 3.094 0.936 1.00 0.37 O ATOM 1626 CB ALA B 50 10.304 0.112 2.349 1.00 0.37 C ATOM 0 H ALA B 50 12.307 0.521 3.730 1.00 0.30 H new ATOM 0 HA ALA B 50 11.721 0.954 0.993 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.478 0.158 1.639 1.00 0.37 H new ATOM 0 HB2 ALA B 50 10.763 -0.876 2.309 1.00 0.37 H new ATOM 0 HB3 ALA B 50 9.928 0.297 3.355 1.00 0.37 H new ATOM 1632 N MET B 51 10.539 3.113 3.177 1.00 0.34 N ATOM 1633 CA MET B 51 9.885 4.407 3.352 1.00 0.39 C ATOM 1634 C MET B 51 10.478 5.461 2.428 1.00 0.31 C ATOM 1635 O MET B 51 9.754 6.173 1.729 1.00 0.30 O ATOM 1636 CB MET B 51 10.033 4.858 4.804 1.00 0.52 C ATOM 1637 CG MET B 51 9.059 5.945 5.213 1.00 0.62 C ATOM 1638 SD MET B 51 7.342 5.440 5.008 1.00 0.65 S ATOM 1639 CE MET B 51 7.408 3.754 5.611 1.00 0.41 C ATOM 0 H MET B 51 10.855 2.688 4.049 1.00 0.34 H new ATOM 0 HA MET B 51 8.831 4.292 3.100 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.896 3.996 5.457 1.00 0.52 H new ATOM 0 HB3 MET B 51 11.050 5.218 4.960 1.00 0.52 H new ATOM 0 HG2 MET B 51 9.234 6.213 6.255 1.00 0.62 H new ATOM 0 HG3 MET B 51 9.246 6.839 4.618 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.446 3.486 6.047 1.00 0.41 H new ATOM 0 HE2 MET B 51 7.632 3.080 4.784 1.00 0.41 H new ATOM 0 HE3 MET B 51 8.186 3.669 6.369 1.00 0.41 H new ATOM 1649 N ASP B 52 11.800 5.539 2.420 1.00 0.31 N ATOM 1650 CA ASP B 52 12.503 6.522 1.608 1.00 0.32 C ATOM 1651 C ASP B 52 12.280 6.281 0.122 1.00 0.28 C ATOM 1652 O ASP B 52 11.911 7.197 -0.609 1.00 0.30 O ATOM 1653 CB ASP B 52 14.002 6.506 1.912 1.00 0.42 C ATOM 1654 CG ASP B 52 14.338 7.162 3.234 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.388 8.406 3.290 1.00 1.84 O ATOM 1656 OD2 ASP B 52 14.561 6.439 4.228 1.00 1.99 O ATOM 0 H ASP B 52 12.409 4.932 2.968 1.00 0.31 H new ATOM 0 HA ASP B 52 12.096 7.501 1.863 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.355 5.475 1.923 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.536 7.017 1.111 1.00 0.42 H new ATOM 1661 N CYS B 53 12.482 5.046 -0.323 1.00 0.27 N ATOM 1662 CA CYS B 53 12.406 4.740 -1.746 1.00 0.27 C ATOM 1663 C CYS B 53 10.968 4.795 -2.268 1.00 0.28 C ATOM 1664 O CYS B 53 10.743 5.235 -3.391 1.00 0.36 O ATOM 1665 CB CYS B 53 13.054 3.386 -2.045 1.00 0.36 C ATOM 1666 SG CYS B 53 12.533 2.047 -0.956 1.00 1.05 S ATOM 0 H CYS B 53 12.698 4.248 0.274 1.00 0.27 H new ATOM 0 HA CYS B 53 12.965 5.510 -2.277 1.00 0.27 H new ATOM 0 HB2 CYS B 53 12.827 3.109 -3.074 1.00 0.36 H new ATOM 0 HB3 CYS B 53 14.137 3.493 -1.975 1.00 0.36 H new ATOM 0 HG CYS B 53 13.211 2.100 0.152 1.00 1.05 H new ATOM 1672 N ILE B 54 9.997 4.371 -1.457 1.00 0.26 N ATOM 1673 CA ILE B 54 8.586 4.472 -1.843 1.00 0.29 C ATOM 1674 C ILE B 54 8.222 5.931 -2.092 1.00 0.30 C ATOM 1675 O ILE B 54 7.684 6.287 -3.144 1.00 0.33 O ATOM 1676 CB ILE B 54 7.634 3.915 -0.755 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.911 2.436 -0.478 1.00 0.31 C ATOM 1678 CG2 ILE B 54 6.180 4.104 -1.177 1.00 0.33 C ATOM 1679 CD1 ILE B 54 7.176 1.902 0.738 1.00 0.33 C ATOM 0 H ILE B 54 10.158 3.958 -0.538 1.00 0.26 H new ATOM 0 HA ILE B 54 8.463 3.876 -2.747 1.00 0.29 H new ATOM 0 HB ILE B 54 7.815 4.472 0.164 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.625 1.851 -1.352 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.983 2.295 -0.336 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.522 3.708 -0.403 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.977 5.166 -1.318 1.00 0.33 H new ATOM 0 HG23 ILE B 54 6.001 3.573 -2.112 1.00 0.33 H new ATOM 0 HD11 ILE B 54 7.418 0.848 0.876 1.00 0.33 H new ATOM 0 HD12 ILE B 54 7.480 2.463 1.622 1.00 0.33 H new ATOM 0 HD13 ILE B 54 6.102 2.011 0.591 1.00 0.33 H new ATOM 1686 N SER B 55 8.547 6.769 -1.119 1.00 0.30 N ATOM 1687 CA SER B 55 8.237 8.186 -1.179 1.00 0.36 C ATOM 1688 C SER B 55 8.979 8.846 -2.345 1.00 0.38 C ATOM 1689 O SER B 55 8.412 9.660 -3.080 1.00 0.41 O ATOM 1690 CB SER B 55 8.616 8.841 0.154 1.00 0.40 C ATOM 1691 OG SER B 55 8.024 10.118 0.299 1.00 0.80 O ATOM 0 H SER B 55 9.032 6.485 -0.268 1.00 0.30 H new ATOM 0 HA SER B 55 7.168 8.319 -1.348 1.00 0.36 H new ATOM 0 HB2 SER B 55 8.302 8.199 0.977 1.00 0.40 H new ATOM 0 HB3 SER B 55 9.700 8.934 0.218 1.00 0.40 H new ATOM 0 HG SER B 55 8.522 10.772 -0.234 1.00 0.80 H new ATOM 1697 N GLU B 56 10.239 8.461 -2.529 1.00 0.39 N ATOM 1698 CA GLU B 56 11.078 9.028 -3.580 1.00 0.48 C ATOM 1699 C GLU B 56 10.587 8.598 -4.964 1.00 0.42 C ATOM 1700 O GLU B 56 10.695 9.351 -5.933 1.00 0.45 O ATOM 1701 CB GLU B 56 12.529 8.584 -3.382 1.00 0.59 C ATOM 1702 CG GLU B 56 13.534 9.390 -4.187 1.00 0.82 C ATOM 1703 CD GLU B 56 13.574 10.845 -3.769 1.00 1.81 C ATOM 1704 OE1 GLU B 56 14.094 11.137 -2.671 1.00 2.66 O ATOM 1705 OE2 GLU B 56 13.089 11.705 -4.532 1.00 2.38 O ATOM 0 H GLU B 56 10.704 7.754 -1.959 1.00 0.39 H new ATOM 0 HA GLU B 56 11.019 10.115 -3.518 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.781 8.660 -2.324 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.618 7.533 -3.656 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.525 8.953 -4.067 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.283 9.326 -5.246 1.00 0.82 H new ATOM 1712 N ALA B 57 10.052 7.386 -5.046 1.00 0.38 N ATOM 1713 CA ALA B 57 9.567 6.835 -6.307 1.00 0.39 C ATOM 1714 C ALA B 57 8.439 7.680 -6.885 1.00 0.33 C ATOM 1715 O ALA B 57 8.480 8.078 -8.050 1.00 0.38 O ATOM 1716 CB ALA B 57 9.097 5.402 -6.111 1.00 0.41 C ATOM 0 H ALA B 57 9.942 6.761 -4.247 1.00 0.38 H new ATOM 0 HA ALA B 57 10.395 6.846 -7.016 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.738 5.004 -7.060 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.927 4.793 -5.753 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.289 5.381 -5.380 1.00 0.41 H new ATOM 1722 N PHE B 58 7.442 7.962 -6.058 1.00 0.28 N ATOM 1723 CA PHE B 58 6.279 8.724 -6.499 1.00 0.27 C ATOM 1724 C PHE B 58 6.591 10.213 -6.587 1.00 0.30 C ATOM 1725 O PHE B 58 5.863 10.973 -7.224 1.00 0.38 O ATOM 1726 CB PHE B 58 5.099 8.487 -5.561 1.00 0.27 C ATOM 1727 CG PHE B 58 4.479 7.127 -5.705 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.108 6.003 -5.195 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.265 6.977 -6.352 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.536 4.754 -5.327 1.00 1.21 C ATOM 1731 CE2 PHE B 58 2.686 5.730 -6.486 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.323 4.618 -5.973 1.00 0.29 C ATOM 0 H PHE B 58 7.414 7.676 -5.079 1.00 0.28 H new ATOM 0 HA PHE B 58 6.013 8.376 -7.497 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.432 8.618 -4.531 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.339 9.245 -5.749 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.056 6.105 -4.689 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.765 7.844 -6.757 1.00 1.18 H new ATOM 0 HE1 PHE B 58 5.036 3.885 -4.926 1.00 1.21 H new ATOM 0 HE2 PHE B 58 1.737 5.625 -6.991 1.00 1.22 H new ATOM 0 HZ PHE B 58 2.873 3.642 -6.077 1.00 0.29 H new ATOM 1742 N GLY B 59 7.671 10.622 -5.940 1.00 0.33 N ATOM 1743 CA GLY B 59 8.117 11.995 -6.040 1.00 0.38 C ATOM 1744 C GLY B 59 7.534 12.890 -4.970 1.00 0.37 C ATOM 1745 O GLY B 59 7.096 14.002 -5.259 1.00 0.42 O ATOM 0 H GLY B 59 8.248 10.026 -5.346 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.205 12.023 -5.975 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.846 12.388 -7.020 1.00 0.38 H new ATOM 1749 N PHE B 60 7.517 12.410 -3.736 1.00 0.35 N ATOM 1750 CA PHE B 60 7.083 13.228 -2.615 1.00 0.39 C ATOM 1751 C PHE B 60 7.919 12.902 -1.387 1.00 0.39 C ATOM 1752 O PHE B 60 8.739 11.983 -1.413 1.00 0.42 O ATOM 1753 CB PHE B 60 5.582 13.037 -2.326 1.00 0.40 C ATOM 1754 CG PHE B 60 5.192 11.680 -1.793 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.871 10.644 -2.655 1.00 1.21 C ATOM 1756 CD2 PHE B 60 5.123 11.453 -0.427 1.00 1.19 C ATOM 1757 CE1 PHE B 60 4.492 9.407 -2.163 1.00 1.19 C ATOM 1758 CE2 PHE B 60 4.749 10.219 0.069 1.00 1.23 C ATOM 1759 CZ PHE B 60 4.433 9.195 -0.800 1.00 0.33 C ATOM 0 H PHE B 60 7.798 11.462 -3.486 1.00 0.35 H new ATOM 0 HA PHE B 60 7.230 14.276 -2.876 1.00 0.39 H new ATOM 0 HB2 PHE B 60 5.269 13.794 -1.607 1.00 0.40 H new ATOM 0 HB3 PHE B 60 5.026 13.221 -3.246 1.00 0.40 H new ATOM 0 HD1 PHE B 60 4.917 10.803 -3.722 1.00 1.21 H new ATOM 0 HD2 PHE B 60 5.365 12.252 0.259 1.00 1.19 H new ATOM 0 HE1 PHE B 60 4.242 8.608 -2.845 1.00 1.19 H new ATOM 0 HE2 PHE B 60 4.704 10.056 1.136 1.00 1.23 H new ATOM 0 HZ PHE B 60 4.140 8.229 -0.415 1.00 0.33 H new ATOM 1769 N GLU B 61 7.732 13.665 -0.324 1.00 0.47 N ATOM 1770 CA GLU B 61 8.477 13.452 0.905 1.00 0.55 C ATOM 1771 C GLU B 61 7.562 12.944 2.010 1.00 0.50 C ATOM 1772 O GLU B 61 6.362 13.220 2.018 1.00 0.47 O ATOM 1773 CB GLU B 61 9.149 14.750 1.342 1.00 0.70 C ATOM 1774 CG GLU B 61 10.130 15.295 0.323 1.00 0.80 C ATOM 1775 CD GLU B 61 10.821 16.546 0.805 1.00 1.48 C ATOM 1776 OE1 GLU B 61 10.258 17.645 0.630 1.00 2.33 O ATOM 1777 OE2 GLU B 61 11.928 16.438 1.368 1.00 2.06 O ATOM 0 H GLU B 61 7.069 14.439 -0.287 1.00 0.47 H new ATOM 0 HA GLU B 61 9.242 12.699 0.716 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.382 15.500 1.534 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.672 14.580 2.283 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.877 14.534 0.098 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.603 15.509 -0.607 1.00 0.80 H new ATOM 1784 N ARG B 62 8.155 12.214 2.947 1.00 0.53 N ATOM 1785 CA ARG B 62 7.426 11.605 4.055 1.00 0.53 C ATOM 1786 C ARG B 62 6.803 12.670 4.956 1.00 0.52 C ATOM 1787 O ARG B 62 5.883 12.388 5.720 1.00 0.64 O ATOM 1788 CB ARG B 62 8.370 10.710 4.866 1.00 0.62 C ATOM 1789 CG ARG B 62 7.705 9.995 6.033 1.00 1.40 C ATOM 1790 CD ARG B 62 8.716 9.215 6.858 1.00 1.46 C ATOM 1791 NE ARG B 62 9.781 10.074 7.374 1.00 2.25 N ATOM 1792 CZ ARG B 62 10.759 9.657 8.178 1.00 2.60 C ATOM 1793 NH1 ARG B 62 10.800 8.398 8.593 1.00 2.13 N ATOM 1794 NH2 ARG B 62 11.699 10.506 8.569 1.00 3.67 N ATOM 0 H ARG B 62 9.158 12.027 2.961 1.00 0.53 H new ATOM 0 HA ARG B 62 6.618 10.999 3.644 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.807 9.966 4.201 1.00 0.62 H new ATOM 0 HB3 ARG B 62 9.190 11.318 5.247 1.00 0.62 H new ATOM 0 HG2 ARG B 62 7.201 10.724 6.668 1.00 1.40 H new ATOM 0 HG3 ARG B 62 6.940 9.316 5.657 1.00 1.40 H new ATOM 0 HD2 ARG B 62 8.207 8.729 7.690 1.00 1.46 H new ATOM 0 HD3 ARG B 62 9.152 8.425 6.246 1.00 1.46 H new ATOM 0 HE ARG B 62 9.775 11.057 7.101 1.00 2.25 H new ATOM 0 HH11 ARG B 62 10.079 7.740 8.297 1.00 2.13 H new ATOM 0 HH12 ARG B 62 11.552 8.088 9.208 1.00 2.13 H new ATOM 0 HH21 ARG B 62 11.673 11.476 8.255 1.00 3.67 H new ATOM 0 HH22 ARG B 62 12.448 10.189 9.184 1.00 3.67 H new ATOM 1808 N GLU B 63 7.303 13.894 4.864 1.00 0.57 N ATOM 1809 CA GLU B 63 6.763 14.996 5.650 1.00 0.63 C ATOM 1810 C GLU B 63 5.549 15.615 4.963 1.00 0.62 C ATOM 1811 O GLU B 63 4.894 16.499 5.516 1.00 0.74 O ATOM 1812 CB GLU B 63 7.822 16.074 5.872 1.00 0.73 C ATOM 1813 CG GLU B 63 8.302 16.733 4.589 1.00 1.69 C ATOM 1814 CD GLU B 63 9.098 17.991 4.850 1.00 2.52 C ATOM 1815 OE1 GLU B 63 8.481 19.068 4.981 1.00 3.19 O ATOM 1816 OE2 GLU B 63 10.342 17.911 4.929 1.00 3.12 O ATOM 0 H GLU B 63 8.080 14.150 4.255 1.00 0.57 H new ATOM 0 HA GLU B 63 6.456 14.590 6.614 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.415 16.839 6.533 1.00 0.73 H new ATOM 0 HB3 GLU B 63 8.676 15.631 6.384 1.00 0.73 H new ATOM 0 HG2 GLU B 63 8.916 16.028 4.029 1.00 1.69 H new ATOM 0 HG3 GLU B 63 7.442 16.974 3.964 1.00 1.69 H new ATOM 1823 N ALA B 64 5.256 15.157 3.754 1.00 0.55 N ATOM 1824 CA ALA B 64 4.150 15.703 2.981 1.00 0.59 C ATOM 1825 C ALA B 64 2.986 14.724 2.916 1.00 0.53 C ATOM 1826 O ALA B 64 1.963 15.006 2.293 1.00 0.56 O ATOM 1827 CB ALA B 64 4.616 16.063 1.577 1.00 0.66 C ATOM 0 H ALA B 64 5.769 14.409 3.287 1.00 0.55 H new ATOM 0 HA ALA B 64 3.802 16.606 3.482 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.779 16.470 1.009 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.410 16.807 1.637 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.992 15.170 1.078 1.00 0.66 H new ATOM 1833 N VAL B 65 3.137 13.581 3.579 1.00 0.50 N ATOM 1834 CA VAL B 65 2.124 12.532 3.528 1.00 0.46 C ATOM 1835 C VAL B 65 0.794 13.018 4.109 1.00 0.52 C ATOM 1836 O VAL B 65 -0.269 12.736 3.557 1.00 0.53 O ATOM 1837 CB VAL B 65 2.590 11.243 4.254 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.908 11.503 5.715 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.547 10.147 4.137 1.00 0.50 C ATOM 0 H VAL B 65 3.948 13.358 4.156 1.00 0.50 H new ATOM 0 HA VAL B 65 1.974 12.287 2.476 1.00 0.46 H new ATOM 0 HB VAL B 65 3.506 10.913 3.763 1.00 0.46 H new ATOM 0 HG11 VAL B 65 3.231 10.575 6.188 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.705 12.244 5.788 1.00 0.51 H new ATOM 0 HG13 VAL B 65 2.018 11.877 6.220 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.898 9.254 4.654 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.613 10.484 4.587 1.00 0.50 H new ATOM 0 HG23 VAL B 65 1.380 9.915 3.085 1.00 0.50 H new ATOM 1843 N SER B 66 0.859 13.778 5.196 1.00 0.62 N ATOM 1844 CA SER B 66 -0.340 14.291 5.840 1.00 0.74 C ATOM 1845 C SER B 66 -1.052 15.295 4.934 1.00 0.75 C ATOM 1846 O SER B 66 -2.283 15.339 4.886 1.00 0.83 O ATOM 1847 CB SER B 66 0.021 14.938 7.176 1.00 0.88 C ATOM 1848 OG SER B 66 0.753 14.036 7.994 1.00 1.63 O ATOM 0 H SER B 66 1.731 14.052 5.649 1.00 0.62 H new ATOM 0 HA SER B 66 -1.020 13.459 6.024 1.00 0.74 H new ATOM 0 HB2 SER B 66 0.611 15.838 7.001 1.00 0.88 H new ATOM 0 HB3 SER B 66 -0.888 15.248 7.692 1.00 0.88 H new ATOM 0 HG SER B 66 0.975 14.471 8.843 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.270 16.090 4.211 1.00 0.71 N ATOM 1855 CA GLY B 67 -0.836 17.040 3.274 1.00 0.74 C ATOM 1856 C GLY B 67 -1.547 16.348 2.131 1.00 0.69 C ATOM 1857 O GLY B 67 -2.652 16.732 1.750 1.00 0.74 O ATOM 0 H GLY B 67 0.749 16.092 4.258 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.536 17.692 3.796 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.044 17.675 2.878 1.00 0.74 H new ATOM 1861 N ILE B 68 -0.917 15.310 1.596 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.503 14.530 0.515 1.00 0.58 C ATOM 1863 C ILE B 68 -2.785 13.841 0.980 1.00 0.62 C ATOM 1864 O ILE B 68 -3.804 13.878 0.292 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.515 13.470 -0.018 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.756 14.143 -0.543 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.166 12.639 -1.115 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.813 13.167 -1.012 1.00 0.45 C ATOM 0 H ILE B 68 0.004 14.988 1.895 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.737 15.223 -0.293 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.244 12.807 0.803 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.492 14.803 -1.369 1.00 0.49 H new ATOM 0 HG13 ILE B 68 1.176 14.769 0.244 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.456 11.897 -1.479 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.045 12.134 -0.715 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.464 13.290 -1.937 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.683 13.717 -1.370 1.00 0.45 H new ATOM 0 HD12 ILE B 68 2.106 12.523 -0.183 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.412 12.557 -1.821 1.00 0.45 H new ATOM 1875 N LEU B 69 -2.730 13.235 2.161 1.00 0.61 N ATOM 1876 CA LEU B 69 -3.882 12.532 2.720 1.00 0.66 C ATOM 1877 C LEU B 69 -5.040 13.488 2.977 1.00 0.84 C ATOM 1878 O LEU B 69 -6.194 13.157 2.707 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.496 11.808 4.011 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.495 10.667 3.828 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.127 10.051 5.167 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.063 9.610 2.896 1.00 0.45 C ATOM 0 H LEU B 69 -1.899 13.216 2.752 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.208 11.793 1.988 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.076 12.534 4.707 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.400 11.410 4.473 1.00 0.61 H new ATOM 0 HG LEU B 69 -1.589 11.076 3.381 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.414 9.242 5.011 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -1.679 10.811 5.807 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.024 9.657 5.645 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -2.339 8.804 2.775 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -3.985 9.210 3.319 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.274 10.057 1.924 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.724 14.676 3.480 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.745 15.681 3.717 1.00 0.93 C ATOM 1896 C GLY B 70 -6.433 16.104 2.434 1.00 0.98 C ATOM 1897 O GLY B 70 -7.621 16.437 2.431 1.00 1.24 O ATOM 0 H GLY B 70 -3.777 14.962 3.729 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.486 15.288 4.413 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.293 16.553 4.191 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.683 16.079 1.343 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.206 16.446 0.037 1.00 0.97 C ATOM 1903 C LYS B 71 -7.003 15.299 -0.576 1.00 0.98 C ATOM 1904 O LYS B 71 -8.011 15.521 -1.246 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.053 16.840 -0.893 1.00 1.11 C ATOM 1906 CG LYS B 71 -5.478 17.119 -2.327 1.00 1.68 C ATOM 1907 CD LYS B 71 -4.314 17.618 -3.170 1.00 2.11 C ATOM 1908 CE LYS B 71 -3.190 16.593 -3.266 1.00 2.60 C ATOM 1909 NZ LYS B 71 -3.578 15.395 -4.057 1.00 3.15 N ATOM 0 H LYS B 71 -4.700 15.805 1.338 1.00 0.86 H new ATOM 0 HA LYS B 71 -6.876 17.296 0.163 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -4.564 17.727 -0.491 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -4.312 16.040 -0.894 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.885 16.210 -2.770 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -6.276 17.861 -2.332 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -4.670 17.859 -4.172 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -3.926 18.541 -2.740 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -2.316 17.058 -3.722 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -2.899 16.283 -2.262 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -2.755 14.768 -4.164 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -4.339 14.886 -3.565 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -3.911 15.692 -4.996 1.00 3.15 H new ATOM 1923 N SER B 72 -6.557 14.076 -0.327 1.00 0.91 N ATOM 1924 CA SER B 72 -7.172 12.898 -0.923 1.00 1.08 C ATOM 1925 C SER B 72 -8.521 12.577 -0.284 1.00 1.03 C ATOM 1926 O SER B 72 -9.019 13.326 0.560 1.00 1.20 O ATOM 1927 CB SER B 72 -6.236 11.696 -0.783 1.00 1.29 C ATOM 1928 OG SER B 72 -5.998 11.385 0.581 1.00 2.02 O ATOM 0 H SER B 72 -5.768 13.873 0.287 1.00 0.91 H new ATOM 0 HA SER B 72 -7.345 13.113 -1.978 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.672 10.832 -1.285 1.00 1.29 H new ATOM 0 HB3 SER B 72 -5.290 11.909 -1.280 1.00 1.29 H new ATOM 0 HG SER B 72 -6.256 12.147 1.140 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.113 11.466 -0.698 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.353 10.991 -0.103 1.00 1.30 C ATOM 1936 C GLU B 73 -10.134 10.596 1.354 1.00 1.26 C ATOM 1937 O GLU B 73 -10.895 10.980 2.239 1.00 1.86 O ATOM 1938 CB GLU B 73 -10.878 9.773 -0.870 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.226 10.044 -2.324 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.448 10.920 -2.480 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -13.578 10.397 -2.375 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -12.292 12.129 -2.727 1.00 2.46 O ATOM 0 H GLU B 73 -8.752 10.875 -1.447 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.080 11.801 -0.154 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -10.127 8.984 -0.831 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.765 9.395 -0.362 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -10.377 10.522 -2.813 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -11.396 9.096 -2.835 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.055 9.875 1.597 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.880 9.148 2.843 1.00 1.02 C ATOM 1951 C PHE B 74 -8.062 9.940 3.855 1.00 1.07 C ATOM 1952 O PHE B 74 -6.920 9.596 4.159 1.00 1.44 O ATOM 1953 CB PHE B 74 -8.209 7.807 2.558 1.00 0.94 C ATOM 1954 CG PHE B 74 -8.764 7.111 1.347 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -9.945 6.390 1.420 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -8.102 7.182 0.132 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -10.451 5.753 0.303 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -8.601 6.548 -0.983 1.00 1.25 C ATOM 1959 CZ PHE B 74 -9.776 5.833 -0.900 1.00 1.19 C ATOM 0 H PHE B 74 -8.279 9.776 0.942 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.865 8.985 3.280 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -7.140 7.966 2.419 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -8.325 7.159 3.426 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -10.475 6.325 2.359 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -7.182 7.743 0.059 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -11.372 5.194 0.370 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -8.072 6.611 -1.922 1.00 1.25 H new ATOM 0 HZ PHE B 74 -10.169 5.336 -1.774 1.00 1.19 H new ATOM 1969 N LYS B 75 -8.651 11.002 4.369 1.00 1.12 N ATOM 1970 CA LYS B 75 -8.043 11.754 5.458 1.00 1.23 C ATOM 1971 C LYS B 75 -8.625 11.294 6.789 1.00 1.54 C ATOM 1972 O LYS B 75 -9.839 11.344 7.002 1.00 2.04 O ATOM 1973 CB LYS B 75 -8.217 13.275 5.283 1.00 1.42 C ATOM 1974 CG LYS B 75 -9.636 13.740 4.971 1.00 1.46 C ATOM 1975 CD LYS B 75 -9.939 13.643 3.485 1.00 1.65 C ATOM 1976 CE LYS B 75 -11.318 14.184 3.148 1.00 2.27 C ATOM 1977 NZ LYS B 75 -11.685 13.906 1.734 1.00 2.85 N ATOM 0 H LYS B 75 -9.550 11.366 4.053 1.00 1.12 H new ATOM 0 HA LYS B 75 -6.971 11.556 5.444 1.00 1.23 H new ATOM 0 HB2 LYS B 75 -7.883 13.769 6.196 1.00 1.42 H new ATOM 0 HB3 LYS B 75 -7.559 13.609 4.481 1.00 1.42 H new ATOM 0 HG2 LYS B 75 -10.350 13.134 5.529 1.00 1.46 H new ATOM 0 HG3 LYS B 75 -9.764 14.770 5.303 1.00 1.46 H new ATOM 0 HD2 LYS B 75 -9.186 14.197 2.925 1.00 1.65 H new ATOM 0 HD3 LYS B 75 -9.871 12.602 3.168 1.00 1.65 H new ATOM 0 HE2 LYS B 75 -12.057 13.735 3.811 1.00 2.27 H new ATOM 0 HE3 LYS B 75 -11.341 15.259 3.326 1.00 2.27 H new ATOM 0 HZ1 LYS B 75 -12.081 14.766 1.303 1.00 2.85 H new ATOM 0 HZ2 LYS B 75 -10.838 13.612 1.207 1.00 2.85 H new ATOM 0 HZ3 LYS B 75 -12.393 13.145 1.702 1.00 2.85 H new ATOM 1991 N GLY B 76 -7.754 10.818 7.668 1.00 1.89 N ATOM 1992 CA GLY B 76 -8.196 10.281 8.939 1.00 2.41 C ATOM 1993 C GLY B 76 -8.376 8.780 8.877 1.00 1.95 C ATOM 1994 O GLY B 76 -8.857 8.157 9.822 1.00 2.43 O ATOM 0 H GLY B 76 -6.745 10.794 7.522 1.00 1.89 H new ATOM 0 HA2 GLY B 76 -7.469 10.529 9.712 1.00 2.41 H new ATOM 0 HA3 GLY B 76 -9.138 10.749 9.225 1.00 2.41 H new ATOM 1998 N GLN B 77 -7.984 8.201 7.750 1.00 1.50 N ATOM 1999 CA GLN B 77 -8.115 6.770 7.524 1.00 1.32 C ATOM 2000 C GLN B 77 -6.776 6.183 7.109 1.00 1.10 C ATOM 2001 O GLN B 77 -6.003 6.830 6.402 1.00 1.50 O ATOM 2002 CB GLN B 77 -9.159 6.501 6.435 1.00 1.56 C ATOM 2003 CG GLN B 77 -10.576 6.886 6.831 1.00 2.02 C ATOM 2004 CD GLN B 77 -11.182 5.939 7.851 1.00 2.54 C ATOM 2005 OE1 GLN B 77 -10.477 5.328 8.650 1.00 2.88 O ATOM 2006 NE2 GLN B 77 -12.498 5.822 7.835 1.00 3.28 N ATOM 0 H GLN B 77 -7.568 8.709 6.970 1.00 1.50 H new ATOM 0 HA GLN B 77 -8.439 6.298 8.451 1.00 1.32 H new ATOM 0 HB2 GLN B 77 -8.882 7.051 5.536 1.00 1.56 H new ATOM 0 HB3 GLN B 77 -9.139 5.441 6.180 1.00 1.56 H new ATOM 0 HG2 GLN B 77 -10.572 7.897 7.239 1.00 2.02 H new ATOM 0 HG3 GLN B 77 -11.205 6.904 5.941 1.00 2.02 H new ATOM 0 HE21 GLN B 77 -13.048 6.347 7.155 1.00 3.28 H new ATOM 0 HE22 GLN B 77 -12.963 5.207 8.502 1.00 3.28 H new ATOM 2015 N HIS B 78 -6.494 4.971 7.557 1.00 0.88 N ATOM 2016 CA HIS B 78 -5.276 4.286 7.156 1.00 0.85 C ATOM 2017 C HIS B 78 -5.591 3.340 6.007 1.00 0.69 C ATOM 2018 O HIS B 78 -6.752 2.966 5.826 1.00 0.68 O ATOM 2019 CB HIS B 78 -4.669 3.497 8.324 1.00 1.02 C ATOM 2020 CG HIS B 78 -4.486 4.297 9.579 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.367 4.238 10.636 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -3.515 5.164 9.951 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -4.947 5.033 11.602 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -3.825 5.607 11.211 1.00 1.85 N ATOM 0 H HIS B 78 -7.089 4.443 8.196 1.00 0.88 H new ATOM 0 HA HIS B 78 -4.547 5.032 6.840 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -5.309 2.642 8.542 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -3.702 3.100 8.016 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -6.213 3.668 10.667 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -2.656 5.453 9.364 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -5.438 5.188 12.551 1.00 1.95 H new ATOM 2033 N LEU B 79 -4.585 2.952 5.237 1.00 0.60 N ATOM 2034 CA LEU B 79 -4.803 2.058 4.100 1.00 0.46 C ATOM 2035 C LEU B 79 -5.525 0.786 4.537 1.00 0.44 C ATOM 2036 O LEU B 79 -6.470 0.335 3.888 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.472 1.687 3.447 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.590 0.798 2.209 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.314 1.531 1.090 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.216 0.337 1.752 1.00 0.41 C ATOM 0 H LEU B 79 -3.615 3.237 5.374 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.425 2.586 3.377 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -2.951 2.604 3.170 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -2.851 1.178 4.184 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.176 -0.083 2.472 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.388 0.882 0.218 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.315 1.806 1.423 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.759 2.431 0.826 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.319 -0.295 0.870 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.604 1.205 1.507 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.738 -0.230 2.551 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.091 0.229 5.658 1.00 0.50 N ATOM 2053 CA ALA B 80 -5.631 -1.027 6.149 1.00 0.54 C ATOM 2054 C ALA B 80 -7.097 -0.905 6.547 1.00 0.58 C ATOM 2055 O ALA B 80 -7.848 -1.864 6.417 1.00 0.61 O ATOM 2056 CB ALA B 80 -4.808 -1.529 7.313 1.00 0.63 C ATOM 0 H ALA B 80 -4.362 0.631 6.247 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.577 -1.748 5.333 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.223 -2.471 7.672 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -3.779 -1.685 6.990 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -4.828 -0.793 8.117 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.504 0.271 7.019 1.00 0.64 N ATOM 2063 CA ASP B 81 -8.901 0.498 7.388 1.00 0.70 C ATOM 2064 C ASP B 81 -9.788 0.293 6.174 1.00 0.60 C ATOM 2065 O ASP B 81 -10.870 -0.292 6.259 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.112 1.910 7.944 1.00 0.78 C ATOM 2067 CG ASP B 81 -8.406 2.144 9.261 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -8.690 1.416 10.235 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -7.581 3.077 9.344 1.00 2.30 O ATOM 0 H ASP B 81 -6.893 1.076 7.155 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.164 -0.216 8.168 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -8.756 2.638 7.214 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.180 2.086 8.075 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.298 0.767 5.040 1.00 0.50 N ATOM 2075 CA ILE B 82 -9.972 0.602 3.763 1.00 0.44 C ATOM 2076 C ILE B 82 -10.165 -0.877 3.436 1.00 0.48 C ATOM 2077 O ILE B 82 -11.281 -1.330 3.170 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.149 1.265 2.642 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.061 2.774 2.864 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.740 0.956 1.279 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.109 3.465 1.915 1.00 0.61 C ATOM 0 H ILE B 82 -8.418 1.279 4.979 1.00 0.50 H new ATOM 0 HA ILE B 82 -10.950 1.078 3.834 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.140 0.853 2.671 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.054 3.209 2.752 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -8.743 2.965 3.889 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.141 1.436 0.505 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.743 -0.122 1.120 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.762 1.332 1.232 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.095 4.534 2.128 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.107 3.056 2.043 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.438 3.304 0.888 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.072 -1.625 3.476 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.085 -3.038 3.107 1.00 0.52 C ATOM 2090 C LEU B 83 -9.804 -3.883 4.154 1.00 0.69 C ATOM 2091 O LEU B 83 -10.327 -4.952 3.850 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.657 -3.558 2.913 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.982 -3.198 1.583 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.781 -1.697 1.444 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.654 -3.923 1.461 1.00 0.43 C ATOM 0 H LEU B 83 -8.157 -1.276 3.762 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.629 -3.124 2.166 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.039 -3.176 3.726 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.672 -4.644 3.007 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.641 -3.517 0.775 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.300 -1.481 0.490 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.748 -1.195 1.485 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.151 -1.337 2.257 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -5.182 -3.661 0.514 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.002 -3.630 2.284 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.822 -4.999 1.497 1.00 0.43 H new ATOM 2107 N ASN B 84 -9.823 -3.402 5.387 1.00 0.74 N ATOM 2108 CA ASN B 84 -10.472 -4.118 6.476 1.00 0.94 C ATOM 2109 C ASN B 84 -11.989 -4.029 6.351 1.00 0.97 C ATOM 2110 O ASN B 84 -12.706 -4.977 6.678 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.013 -3.559 7.826 1.00 1.03 C ATOM 2112 CG ASN B 84 -10.540 -4.357 9.004 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -9.937 -5.351 9.410 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -11.649 -3.918 9.573 1.00 1.79 N ATOM 0 H ASN B 84 -9.396 -2.517 5.660 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.186 -5.168 6.417 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -8.924 -3.549 7.858 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -10.344 -2.524 7.917 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -12.036 -4.407 10.380 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -12.118 -3.090 9.205 1.00 1.79 H new ATOM 2121 N SER B 85 -12.470 -2.890 5.867 1.00 0.87 N ATOM 2122 CA SER B 85 -13.901 -2.672 5.700 1.00 0.93 C ATOM 2123 C SER B 85 -14.384 -3.223 4.359 1.00 0.91 C ATOM 2124 O SER B 85 -15.580 -3.433 4.163 1.00 1.01 O ATOM 2125 CB SER B 85 -14.222 -1.177 5.811 1.00 0.97 C ATOM 2126 OG SER B 85 -15.621 -0.939 5.768 1.00 1.50 O ATOM 0 H SER B 85 -11.888 -2.102 5.583 1.00 0.87 H new ATOM 0 HA SER B 85 -14.425 -3.206 6.493 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.814 -0.785 6.742 1.00 0.97 H new ATOM 0 HB3 SER B 85 -13.735 -0.638 4.998 1.00 0.97 H new ATOM 0 HG SER B 85 -15.792 0.023 5.843 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.454 -3.455 3.442 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.795 -3.971 2.123 1.00 0.95 C ATOM 2134 C ALA B 86 -13.903 -5.492 2.152 1.00 1.14 C ATOM 2135 O ALA B 86 -13.338 -6.146 3.031 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.761 -3.528 1.097 1.00 1.09 C ATOM 0 H ALA B 86 -12.457 -3.294 3.587 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.765 -3.566 1.835 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -13.030 -3.921 0.117 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.733 -2.439 1.056 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.779 -3.906 1.383 1.00 1.09 H new ATOM 2142 N SER B 87 -14.631 -6.052 1.195 1.00 1.42 N ATOM 2143 CA SER B 87 -14.828 -7.489 1.137 1.00 1.71 C ATOM 2144 C SER B 87 -15.038 -7.945 -0.302 1.00 1.54 C ATOM 2145 O SER B 87 -15.693 -7.263 -1.092 1.00 1.80 O ATOM 2146 CB SER B 87 -16.030 -7.890 1.994 1.00 2.36 C ATOM 2147 OG SER B 87 -16.129 -9.302 2.120 1.00 3.09 O ATOM 0 H SER B 87 -15.093 -5.531 0.450 1.00 1.42 H new ATOM 0 HA SER B 87 -13.934 -7.975 1.527 1.00 1.71 H new ATOM 0 HB2 SER B 87 -15.940 -7.440 2.983 1.00 2.36 H new ATOM 0 HB3 SER B 87 -16.944 -7.498 1.548 1.00 2.36 H new ATOM 0 HG SER B 87 -15.304 -9.718 1.794 1.00 3.09 H new ATOM 2153 N ARG B 88 -14.479 -9.100 -0.630 1.00 1.61 N ATOM 2154 CA ARG B 88 -14.614 -9.682 -1.958 1.00 1.65 C ATOM 2155 C ARG B 88 -14.754 -11.194 -1.854 1.00 1.89 C ATOM 2156 O ARG B 88 -13.758 -11.919 -1.793 1.00 2.39 O ATOM 2157 CB ARG B 88 -13.409 -9.330 -2.837 1.00 2.06 C ATOM 2158 CG ARG B 88 -13.370 -7.883 -3.299 1.00 2.62 C ATOM 2159 CD ARG B 88 -14.476 -7.591 -4.300 1.00 3.31 C ATOM 2160 NE ARG B 88 -14.437 -6.209 -4.770 1.00 4.01 N ATOM 2161 CZ ARG B 88 -14.883 -5.811 -5.961 1.00 4.75 C ATOM 2162 NH1 ARG B 88 -15.369 -6.697 -6.822 1.00 5.00 N ATOM 2163 NH2 ARG B 88 -14.829 -4.528 -6.292 1.00 5.55 N ATOM 0 H ARG B 88 -13.920 -9.659 0.014 1.00 1.61 H new ATOM 0 HA ARG B 88 -15.510 -9.268 -2.421 1.00 1.65 H new ATOM 0 HB2 ARG B 88 -12.495 -9.547 -2.283 1.00 2.06 H new ATOM 0 HB3 ARG B 88 -13.412 -9.978 -3.713 1.00 2.06 H new ATOM 0 HG2 ARG B 88 -13.472 -7.222 -2.438 1.00 2.62 H new ATOM 0 HG3 ARG B 88 -12.402 -7.670 -3.752 1.00 2.62 H new ATOM 0 HD2 ARG B 88 -14.383 -8.266 -5.151 1.00 3.31 H new ATOM 0 HD3 ARG B 88 -15.444 -7.790 -3.840 1.00 3.31 H new ATOM 0 HE ARG B 88 -14.043 -5.504 -4.147 1.00 4.01 H new ATOM 0 HH11 ARG B 88 -15.402 -7.686 -6.573 1.00 5.00 H new ATOM 0 HH12 ARG B 88 -15.710 -6.389 -7.733 1.00 5.00 H new ATOM 0 HH21 ARG B 88 -14.447 -3.848 -5.635 1.00 5.55 H new ATOM 0 HH22 ARG B 88 -15.170 -4.222 -7.203 1.00 5.55 H new ATOM 2177 N VAL B 89 -15.990 -11.661 -1.802 1.00 2.00 N ATOM 2178 CA VAL B 89 -16.265 -13.087 -1.752 1.00 2.42 C ATOM 2179 C VAL B 89 -16.791 -13.557 -3.104 1.00 2.25 C ATOM 2180 O VAL B 89 -17.838 -13.102 -3.560 1.00 2.29 O ATOM 2181 CB VAL B 89 -17.289 -13.433 -0.648 1.00 3.06 C ATOM 2182 CG1 VAL B 89 -17.522 -14.934 -0.580 1.00 3.58 C ATOM 2183 CG2 VAL B 89 -16.823 -12.900 0.701 1.00 3.55 C ATOM 0 H VAL B 89 -16.822 -11.071 -1.793 1.00 2.00 H new ATOM 0 HA VAL B 89 -15.332 -13.599 -1.517 1.00 2.42 H new ATOM 0 HB VAL B 89 -18.235 -12.953 -0.898 1.00 3.06 H new ATOM 0 HG11 VAL B 89 -18.246 -15.155 0.204 1.00 3.58 H new ATOM 0 HG12 VAL B 89 -17.905 -15.286 -1.538 1.00 3.58 H new ATOM 0 HG13 VAL B 89 -16.582 -15.438 -0.358 1.00 3.58 H new ATOM 0 HG21 VAL B 89 -17.557 -13.154 1.466 1.00 3.55 H new ATOM 0 HG22 VAL B 89 -15.863 -13.348 0.957 1.00 3.55 H new ATOM 0 HG23 VAL B 89 -16.715 -11.817 0.647 1.00 3.55 H new ATOM 2187 N PRO B 90 -16.063 -14.464 -3.766 1.00 2.60 N ATOM 2188 CA PRO B 90 -16.403 -14.915 -5.112 1.00 2.83 C ATOM 2189 C PRO B 90 -17.561 -15.905 -5.131 1.00 2.80 C ATOM 2190 O PRO B 90 -17.826 -16.598 -4.143 1.00 3.31 O ATOM 2191 CB PRO B 90 -15.117 -15.590 -5.585 1.00 3.67 C ATOM 2192 CG PRO B 90 -14.487 -16.104 -4.338 1.00 3.95 C ATOM 2193 CD PRO B 90 -14.853 -15.129 -3.250 1.00 3.28 C ATOM 0 HA PRO B 90 -16.734 -14.091 -5.744 1.00 2.83 H new ATOM 0 HB2 PRO B 90 -15.327 -16.398 -6.286 1.00 3.67 H new ATOM 0 HB3 PRO B 90 -14.464 -14.884 -6.098 1.00 3.67 H new ATOM 0 HG2 PRO B 90 -14.850 -17.104 -4.102 1.00 3.95 H new ATOM 0 HG3 PRO B 90 -13.405 -16.175 -4.449 1.00 3.95 H new ATOM 0 HD2 PRO B 90 -15.048 -15.638 -2.306 1.00 3.28 H new ATOM 0 HD3 PRO B 90 -14.051 -14.414 -3.067 1.00 3.28 H new ATOM 2201 N GLU B 91 -18.242 -15.969 -6.260 1.00 2.59 N ATOM 2202 CA GLU B 91 -19.336 -16.901 -6.450 1.00 2.75 C ATOM 2203 C GLU B 91 -19.003 -17.867 -7.584 1.00 2.55 C ATOM 2204 O GLU B 91 -18.201 -17.547 -8.465 1.00 2.94 O ATOM 2205 CB GLU B 91 -20.636 -16.141 -6.734 1.00 3.30 C ATOM 2206 CG GLU B 91 -20.527 -15.136 -7.869 1.00 3.94 C ATOM 2207 CD GLU B 91 -21.779 -14.302 -8.031 1.00 4.58 C ATOM 2208 OE1 GLU B 91 -22.724 -14.765 -8.703 1.00 5.01 O ATOM 2209 OE2 GLU B 91 -21.828 -13.179 -7.485 1.00 5.08 O ATOM 0 H GLU B 91 -18.052 -15.377 -7.069 1.00 2.59 H new ATOM 0 HA GLU B 91 -19.478 -17.480 -5.538 1.00 2.75 H new ATOM 0 HB2 GLU B 91 -21.421 -16.859 -6.972 1.00 3.30 H new ATOM 0 HB3 GLU B 91 -20.946 -15.619 -5.828 1.00 3.30 H new ATOM 0 HG2 GLU B 91 -19.678 -14.478 -7.686 1.00 3.94 H new ATOM 0 HG3 GLU B 91 -20.325 -15.666 -8.800 1.00 3.94 H new ATOM 2216 N SER B 92 -19.598 -19.048 -7.549 1.00 2.56 N ATOM 2217 CA SER B 92 -19.314 -20.075 -8.537 1.00 2.76 C ATOM 2218 C SER B 92 -20.155 -19.876 -9.797 1.00 2.95 C ATOM 2219 O SER B 92 -21.284 -20.410 -9.859 1.00 3.07 O ATOM 2220 CB SER B 92 -19.562 -21.455 -7.927 1.00 3.61 C ATOM 2221 OG SER B 92 -20.802 -21.489 -7.237 1.00 4.13 O ATOM 2222 OXT SER B 92 -19.685 -19.180 -10.720 1.00 3.54 O ATOM 0 H SER B 92 -20.283 -19.320 -6.844 1.00 2.56 H new ATOM 0 HA SER B 92 -18.267 -19.999 -8.830 1.00 2.76 H new ATOM 0 HB2 SER B 92 -19.558 -22.210 -8.713 1.00 3.61 H new ATOM 0 HB3 SER B 92 -18.753 -21.704 -7.241 1.00 3.61 H new ATOM 0 HG SER B 92 -21.512 -21.153 -7.823 1.00 4.13 H new TER 2228 SER B 92