USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 862 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 32 SER OG : rot 180:sc= -0.0245 USER MOD Set 1.2: B 36 LYS NZ :NH3+ -166:sc= 0.762 (180deg=0.48) USER MOD Set 2.1: B 28 ASN : amide:sc= -0.609 K(o=-1.2,f=-0.21) USER MOD Set 2.2: B 78 HIS : no HD1:sc= -0.595 K(o=-1.2,f=0.044) USER MOD Set 3.1: A 28 ASN : amide:sc= -0.6 K(o=-1.1,f=-0.23) USER MOD Set 3.2: A 78 HIS : no HD1:sc= -0.549 K(o=-1.1,f=0.027) USER MOD Set 4.1: A 32 SER OG : rot 180:sc= -0.0257 USER MOD Set 4.2: A 36 LYS NZ :NH3+ -166:sc= 0.824 (180deg=0.533) USER MOD Single : A 18 SER OG : rot 80:sc= 1.04 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0615 (180deg=-0.342) USER MOD Single : A 29 TYR OH : rot -126:sc= -0.708 USER MOD Single : A 31 SER OG : rot 180:sc= 0.847 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc=-0.00354 (180deg=-0.128) USER MOD Single : A 40 SER OG : rot 180:sc=5.79e-05 USER MOD Single : A 46 SER OG : rot -157:sc= 1.21 USER MOD Single : A 48 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.5!) USER MOD Single : A 51 MET CE :methyl 151:sc= -0.508 (180deg=-1.94) USER MOD Single : A 53 CYS SG : rot 75:sc= 0.848 USER MOD Single : A 55 SER OG : rot 79:sc= 0.997 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.0205 (180deg=-0.179) USER MOD Single : A 72 SER OG : rot -51:sc= 1.25 USER MOD Single : A 84 ASN : amide:sc= -0.13 K(o=-0.13,f=-0.75) USER MOD Single : A 85 SER OG : rot -30:sc= 0.236 USER MOD Single : B 18 SER OG : rot 81:sc= 1.01 USER MOD Single : B 19 LYS NZ :NH3+ -162:sc= -0.0619 (180deg=-0.356) USER MOD Single : B 29 TYR OH : rot -124:sc= -0.894 USER MOD Single : B 31 SER OG : rot 180:sc= 0.87 USER MOD Single : B 37 LYS NZ :NH3+ -168:sc=-0.000474 (180deg=-0.128) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot -154:sc= 1.28 USER MOD Single : B 48 ASN : amide:sc= -2.09! C(o=-2.1!,f=-2.7!) USER MOD Single : B 51 MET CE :methyl 148:sc= -0.547 (180deg=-1.96) USER MOD Single : B 53 CYS SG : rot 75:sc= 0.837 USER MOD Single : B 55 SER OG : rot 79:sc= 0.997 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ -169:sc= -0.0156 (180deg=-0.156) USER MOD Single : B 72 SER OG : rot -50:sc= 1.22 USER MOD Single : B 84 ASN : amide:sc= -0.25 K(o=-0.25,f=-0.89) USER MOD Single : B 85 SER OG : rot -28:sc= 0.365 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.269 -8.884 8.125 1.00 0.93 N ATOM 49 CA ALA A 17 -7.397 -7.909 7.498 1.00 0.81 C ATOM 50 C ALA A 17 -5.991 -8.072 8.040 1.00 0.69 C ATOM 51 O ALA A 17 -5.444 -7.168 8.678 1.00 0.70 O ATOM 52 CB ALA A 17 -7.896 -6.493 7.737 1.00 1.09 C ATOM 0 HA ALA A 17 -7.395 -8.081 6.422 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -7.223 -5.784 7.256 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.897 -6.384 7.319 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.927 -6.294 8.808 1.00 1.09 H new ATOM 58 N SER A 18 -5.417 -9.239 7.800 1.00 0.64 N ATOM 59 CA SER A 18 -4.110 -9.563 8.331 1.00 0.61 C ATOM 60 C SER A 18 -3.027 -8.775 7.607 1.00 0.50 C ATOM 61 O SER A 18 -3.188 -8.445 6.430 1.00 0.45 O ATOM 62 CB SER A 18 -3.851 -11.063 8.207 1.00 0.66 C ATOM 63 OG SER A 18 -4.990 -11.804 8.615 1.00 1.32 O ATOM 0 H SER A 18 -5.840 -9.978 7.238 1.00 0.64 H new ATOM 0 HA SER A 18 -4.085 -9.288 9.385 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.601 -11.310 7.175 1.00 0.66 H new ATOM 0 HB3 SER A 18 -2.992 -11.341 8.818 1.00 0.66 H new ATOM 0 HG SER A 18 -5.645 -11.824 7.887 1.00 1.32 H new ATOM 69 N LYS A 19 -1.945 -8.466 8.306 1.00 0.50 N ATOM 70 CA LYS A 19 -0.866 -7.662 7.746 1.00 0.43 C ATOM 71 C LYS A 19 -0.423 -8.190 6.380 1.00 0.34 C ATOM 72 O LYS A 19 -0.280 -7.424 5.424 1.00 0.28 O ATOM 73 CB LYS A 19 0.312 -7.625 8.722 1.00 0.54 C ATOM 74 CG LYS A 19 0.017 -6.837 9.992 1.00 0.84 C ATOM 75 CD LYS A 19 1.193 -6.854 10.959 1.00 1.12 C ATOM 76 CE LYS A 19 1.363 -8.214 11.619 1.00 1.73 C ATOM 77 NZ LYS A 19 0.195 -8.572 12.469 1.00 2.10 N ATOM 0 H LYS A 19 -1.789 -8.762 9.270 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.237 -6.648 7.596 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.584 -8.646 8.991 1.00 0.54 H new ATOM 0 HB3 LYS A 19 1.175 -7.186 8.222 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.224 -5.806 9.732 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -0.862 -7.255 10.482 1.00 0.84 H new ATOM 0 HD2 LYS A 19 2.106 -6.593 10.425 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.044 -6.094 11.726 1.00 1.12 H new ATOM 0 HE2 LYS A 19 1.499 -8.975 10.851 1.00 1.73 H new ATOM 0 HE3 LYS A 19 2.267 -8.211 12.228 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 0.464 -9.332 13.126 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -0.109 -7.738 13.010 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 -0.587 -8.897 11.865 1.00 2.10 H new ATOM 91 N GLU A 20 -0.249 -9.504 6.289 1.00 0.41 N ATOM 92 CA GLU A 20 0.194 -10.146 5.055 1.00 0.41 C ATOM 93 C GLU A 20 -0.825 -9.963 3.926 1.00 0.34 C ATOM 94 O GLU A 20 -0.448 -9.749 2.774 1.00 0.30 O ATOM 95 CB GLU A 20 0.452 -11.633 5.309 1.00 0.57 C ATOM 96 CG GLU A 20 -0.767 -12.385 5.819 1.00 0.64 C ATOM 97 CD GLU A 20 -0.433 -13.772 6.314 1.00 0.95 C ATOM 98 OE1 GLU A 20 -0.308 -14.693 5.486 1.00 1.57 O ATOM 99 OE2 GLU A 20 -0.296 -13.948 7.540 1.00 1.49 O ATOM 0 H GLU A 20 -0.409 -10.150 7.061 1.00 0.41 H new ATOM 0 HA GLU A 20 1.121 -9.668 4.737 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.794 -12.097 4.384 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.260 -11.734 6.034 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.227 -11.817 6.627 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.505 -12.457 5.020 1.00 0.64 H new ATOM 106 N GLU A 21 -2.111 -10.035 4.265 1.00 0.37 N ATOM 107 CA GLU A 21 -3.181 -9.864 3.285 1.00 0.39 C ATOM 108 C GLU A 21 -3.146 -8.450 2.718 1.00 0.32 C ATOM 109 O GLU A 21 -3.291 -8.239 1.514 1.00 0.34 O ATOM 110 CB GLU A 21 -4.545 -10.127 3.935 1.00 0.50 C ATOM 111 CG GLU A 21 -4.707 -11.537 4.488 1.00 0.61 C ATOM 112 CD GLU A 21 -6.082 -11.784 5.093 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.320 -11.362 6.248 1.00 1.54 O ATOM 114 OE2 GLU A 21 -6.929 -12.406 4.417 1.00 1.49 O ATOM 0 H GLU A 21 -2.438 -10.211 5.215 1.00 0.37 H new ATOM 0 HA GLU A 21 -3.031 -10.579 2.476 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.695 -9.411 4.744 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.328 -9.944 3.199 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.533 -12.257 3.688 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.945 -11.713 5.247 1.00 0.61 H new ATOM 121 N ILE A 22 -2.944 -7.493 3.610 1.00 0.30 N ATOM 122 CA ILE A 22 -2.857 -6.089 3.240 1.00 0.28 C ATOM 123 C ILE A 22 -1.643 -5.845 2.349 1.00 0.24 C ATOM 124 O ILE A 22 -1.757 -5.253 1.275 1.00 0.26 O ATOM 125 CB ILE A 22 -2.755 -5.204 4.499 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.922 -5.507 5.445 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.731 -3.729 4.117 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.745 -4.935 6.831 1.00 0.44 C ATOM 0 H ILE A 22 -2.836 -7.667 4.609 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.762 -5.828 2.691 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.822 -5.430 5.016 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.841 -5.111 5.013 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.046 -6.587 5.521 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.659 -3.121 5.019 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.871 -3.533 3.477 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.646 -3.477 3.582 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.610 -5.190 7.443 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.845 -5.350 7.284 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.652 -3.851 6.768 1.00 0.44 H new ATOM 135 N ALA A 23 -0.490 -6.331 2.798 1.00 0.20 N ATOM 136 CA ALA A 23 0.760 -6.158 2.068 1.00 0.19 C ATOM 137 C ALA A 23 0.689 -6.786 0.684 1.00 0.20 C ATOM 138 O ALA A 23 1.318 -6.304 -0.258 1.00 0.20 O ATOM 139 CB ALA A 23 1.911 -6.758 2.852 1.00 0.20 C ATOM 0 H ALA A 23 -0.396 -6.851 3.670 1.00 0.20 H new ATOM 0 HA ALA A 23 0.927 -5.088 1.943 1.00 0.19 H new ATOM 0 HB1 ALA A 23 2.839 -6.623 2.297 1.00 0.20 H new ATOM 0 HB2 ALA A 23 1.991 -6.261 3.819 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.732 -7.822 3.005 1.00 0.20 H new ATOM 145 N ALA A 24 -0.082 -7.859 0.572 1.00 0.22 N ATOM 146 CA ALA A 24 -0.257 -8.554 -0.692 1.00 0.25 C ATOM 147 C ALA A 24 -0.821 -7.620 -1.760 1.00 0.24 C ATOM 148 O ALA A 24 -0.367 -7.624 -2.903 1.00 0.25 O ATOM 149 CB ALA A 24 -1.157 -9.763 -0.501 1.00 0.31 C ATOM 0 H ALA A 24 -0.600 -8.268 1.350 1.00 0.22 H new ATOM 0 HA ALA A 24 0.719 -8.896 -1.036 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -1.282 -10.277 -1.454 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.705 -10.442 0.222 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -2.130 -9.438 -0.134 1.00 0.31 H new ATOM 155 N LEU A 25 -1.799 -6.805 -1.386 1.00 0.23 N ATOM 156 CA LEU A 25 -2.366 -5.838 -2.318 1.00 0.23 C ATOM 157 C LEU A 25 -1.438 -4.639 -2.488 1.00 0.22 C ATOM 158 O LEU A 25 -1.420 -4.000 -3.541 1.00 0.25 O ATOM 159 CB LEU A 25 -3.748 -5.370 -1.857 1.00 0.26 C ATOM 160 CG LEU A 25 -4.871 -6.398 -2.001 1.00 0.36 C ATOM 161 CD1 LEU A 25 -6.187 -5.813 -1.516 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.997 -6.855 -3.450 1.00 0.44 C ATOM 0 H LEU A 25 -2.213 -6.793 -0.454 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.475 -6.336 -3.282 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.682 -5.074 -0.810 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -4.019 -4.479 -2.424 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.626 -7.264 -1.387 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.977 -6.556 -1.624 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -6.095 -5.531 -0.467 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -6.434 -4.932 -2.108 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.801 -7.586 -3.532 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.220 -5.997 -4.084 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -4.060 -7.309 -3.771 1.00 0.44 H new ATOM 174 N ILE A 26 -0.661 -4.347 -1.453 1.00 0.21 N ATOM 175 CA ILE A 26 0.281 -3.236 -1.495 1.00 0.22 C ATOM 176 C ILE A 26 1.371 -3.481 -2.538 1.00 0.20 C ATOM 177 O ILE A 26 1.615 -2.633 -3.400 1.00 0.23 O ATOM 178 CB ILE A 26 0.923 -2.982 -0.113 1.00 0.22 C ATOM 179 CG1 ILE A 26 -0.152 -2.597 0.912 1.00 0.26 C ATOM 180 CG2 ILE A 26 1.984 -1.894 -0.209 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.395 -2.311 2.293 1.00 0.27 C ATOM 0 H ILE A 26 -0.664 -4.864 -0.574 1.00 0.21 H new ATOM 0 HA ILE A 26 -0.284 -2.348 -1.777 1.00 0.22 H new ATOM 0 HB ILE A 26 1.404 -3.902 0.220 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.684 -1.716 0.553 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.881 -3.404 0.980 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.425 -1.728 0.774 1.00 0.25 H new ATOM 0 HG22 ILE A 26 2.761 -2.204 -0.908 1.00 0.25 H new ATOM 0 HG23 ILE A 26 1.526 -0.970 -0.562 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.424 -2.046 2.961 1.00 0.27 H new ATOM 0 HD12 ILE A 26 0.902 -3.197 2.674 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.102 -1.483 2.240 1.00 0.27 H new ATOM 188 N VAL A 27 2.009 -4.647 -2.473 1.00 0.18 N ATOM 189 CA VAL A 27 3.052 -4.994 -3.436 1.00 0.20 C ATOM 190 C VAL A 27 2.457 -5.182 -4.830 1.00 0.22 C ATOM 191 O VAL A 27 3.133 -4.972 -5.839 1.00 0.24 O ATOM 192 CB VAL A 27 3.833 -6.264 -3.023 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.545 -6.044 -1.698 1.00 0.21 C ATOM 194 CG2 VAL A 27 2.919 -7.477 -2.942 1.00 0.21 C ATOM 0 H VAL A 27 1.825 -5.363 -1.770 1.00 0.18 H new ATOM 0 HA VAL A 27 3.756 -4.162 -3.452 1.00 0.20 H new ATOM 0 HB VAL A 27 4.579 -6.461 -3.793 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.089 -6.948 -1.423 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.245 -5.214 -1.794 1.00 0.21 H new ATOM 0 HG13 VAL A 27 3.812 -5.813 -0.925 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.500 -8.352 -2.649 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.139 -7.296 -2.203 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.462 -7.654 -3.916 1.00 0.21 H new ATOM 198 N ASN A 28 1.181 -5.560 -4.871 1.00 0.26 N ATOM 199 CA ASN A 28 0.458 -5.708 -6.128 1.00 0.32 C ATOM 200 C ASN A 28 0.429 -4.387 -6.888 1.00 0.27 C ATOM 201 O ASN A 28 0.676 -4.347 -8.095 1.00 0.29 O ATOM 202 CB ASN A 28 -0.972 -6.196 -5.866 1.00 0.45 C ATOM 203 CG ASN A 28 -1.844 -6.168 -7.110 1.00 0.68 C ATOM 204 OD1 ASN A 28 -2.522 -5.175 -7.386 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.833 -7.254 -7.867 1.00 0.86 N ATOM 0 H ASN A 28 0.626 -5.770 -4.042 1.00 0.26 H new ATOM 0 HA ASN A 28 0.977 -6.448 -6.737 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.938 -7.213 -5.476 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.427 -5.574 -5.095 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -2.400 -7.291 -8.714 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -1.258 -8.054 -7.603 1.00 0.86 H new ATOM 212 N TYR A 29 0.151 -3.303 -6.170 1.00 0.25 N ATOM 213 CA TYR A 29 0.100 -1.982 -6.776 1.00 0.24 C ATOM 214 C TYR A 29 1.455 -1.599 -7.352 1.00 0.19 C ATOM 215 O TYR A 29 1.546 -1.194 -8.509 1.00 0.19 O ATOM 216 CB TYR A 29 -0.354 -0.927 -5.766 1.00 0.29 C ATOM 217 CG TYR A 29 -0.352 0.478 -6.330 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.105 0.799 -7.452 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.410 1.480 -5.746 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.098 2.076 -7.977 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.418 2.761 -6.263 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.334 3.054 -7.377 1.00 0.43 C ATOM 223 OH TYR A 29 -0.320 4.326 -7.897 1.00 0.50 O ATOM 0 H TYR A 29 -0.042 -3.316 -5.168 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.629 -2.020 -7.586 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.359 -1.172 -5.421 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.300 -0.963 -4.894 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.707 0.036 -7.922 1.00 1.20 H new ATOM 0 HD2 TYR A 29 1.006 1.255 -4.874 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.687 2.307 -8.852 1.00 1.22 H new ATOM 0 HE2 TYR A 29 1.013 3.530 -5.794 1.00 1.25 H new ATOM 0 HH TYR A 29 0.606 4.600 -8.065 1.00 0.50 H new ATOM 233 N PHE A 30 2.504 -1.747 -6.551 1.00 0.16 N ATOM 234 CA PHE A 30 3.850 -1.392 -6.985 1.00 0.16 C ATOM 235 C PHE A 30 4.248 -2.179 -8.228 1.00 0.18 C ATOM 236 O PHE A 30 4.832 -1.629 -9.164 1.00 0.21 O ATOM 237 CB PHE A 30 4.865 -1.635 -5.866 1.00 0.19 C ATOM 238 CG PHE A 30 4.694 -0.729 -4.678 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.588 0.643 -4.843 1.00 1.18 C ATOM 240 CD2 PHE A 30 4.651 -1.249 -3.396 1.00 1.19 C ATOM 241 CE1 PHE A 30 4.443 1.477 -3.752 1.00 1.17 C ATOM 242 CE2 PHE A 30 4.505 -0.419 -2.301 1.00 1.22 C ATOM 243 CZ PHE A 30 4.402 0.945 -2.481 1.00 0.25 C ATOM 0 H PHE A 30 2.449 -2.110 -5.599 1.00 0.16 H new ATOM 0 HA PHE A 30 3.848 -0.330 -7.232 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.785 -2.670 -5.535 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.870 -1.506 -6.267 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.619 1.065 -5.837 1.00 1.18 H new ATOM 0 HD2 PHE A 30 4.733 -2.316 -3.250 1.00 1.19 H new ATOM 0 HE1 PHE A 30 4.362 2.545 -3.894 1.00 1.17 H new ATOM 0 HE2 PHE A 30 4.472 -0.837 -1.306 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.289 1.596 -1.626 1.00 0.25 H new ATOM 253 N SER A 31 3.903 -3.459 -8.243 1.00 0.21 N ATOM 254 CA SER A 31 4.218 -4.322 -9.369 1.00 0.27 C ATOM 255 C SER A 31 3.407 -3.911 -10.601 1.00 0.25 C ATOM 256 O SER A 31 3.826 -4.134 -11.736 1.00 0.27 O ATOM 257 CB SER A 31 3.937 -5.783 -9.001 1.00 0.35 C ATOM 258 OG SER A 31 4.554 -6.678 -9.912 1.00 1.15 O ATOM 0 H SER A 31 3.403 -3.923 -7.484 1.00 0.21 H new ATOM 0 HA SER A 31 5.276 -4.218 -9.608 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.300 -5.981 -7.993 1.00 0.35 H new ATOM 0 HB3 SER A 31 2.861 -5.956 -8.992 1.00 0.35 H new ATOM 0 HG SER A 31 4.357 -7.601 -9.648 1.00 1.15 H new ATOM 264 N SER A 32 2.258 -3.289 -10.371 1.00 0.27 N ATOM 265 CA SER A 32 1.393 -2.853 -11.456 1.00 0.30 C ATOM 266 C SER A 32 1.911 -1.555 -12.077 1.00 0.28 C ATOM 267 O SER A 32 1.719 -1.306 -13.271 1.00 0.35 O ATOM 268 CB SER A 32 -0.039 -2.664 -10.943 1.00 0.40 C ATOM 269 OG SER A 32 -0.939 -2.396 -12.006 1.00 0.99 O ATOM 0 H SER A 32 1.904 -3.075 -9.439 1.00 0.27 H new ATOM 0 HA SER A 32 1.394 -3.622 -12.228 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.358 -3.561 -10.412 1.00 0.40 H new ATOM 0 HB3 SER A 32 -0.065 -1.843 -10.227 1.00 0.40 H new ATOM 0 HG SER A 32 -1.844 -2.282 -11.648 1.00 0.99 H new ATOM 275 N ILE A 33 2.573 -0.728 -11.272 1.00 0.24 N ATOM 276 CA ILE A 33 3.110 0.536 -11.761 1.00 0.26 C ATOM 277 C ILE A 33 4.256 0.282 -12.730 1.00 0.26 C ATOM 278 O ILE A 33 4.305 0.858 -13.818 1.00 0.31 O ATOM 279 CB ILE A 33 3.633 1.441 -10.625 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.664 1.467 -9.446 1.00 0.30 C ATOM 281 CG2 ILE A 33 3.844 2.853 -11.148 1.00 0.43 C ATOM 282 CD1 ILE A 33 3.201 2.225 -8.251 1.00 0.34 C ATOM 0 H ILE A 33 2.749 -0.910 -10.284 1.00 0.24 H new ATOM 0 HA ILE A 33 2.285 1.047 -12.257 1.00 0.26 H new ATOM 0 HB ILE A 33 4.581 1.033 -10.276 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.726 1.921 -9.765 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.437 0.444 -9.147 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.213 3.488 -10.343 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.572 2.836 -11.959 1.00 0.43 H new ATOM 0 HG23 ILE A 33 2.898 3.249 -11.518 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.465 2.206 -7.447 1.00 0.34 H new ATOM 0 HD12 ILE A 33 4.124 1.757 -7.908 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.401 3.258 -8.535 1.00 0.34 H new ATOM 289 N VAL A 34 5.170 -0.594 -12.329 1.00 0.24 N ATOM 290 CA VAL A 34 6.325 -0.929 -13.154 1.00 0.31 C ATOM 291 C VAL A 34 5.909 -1.755 -14.368 1.00 0.37 C ATOM 292 O VAL A 34 6.583 -1.740 -15.398 1.00 0.47 O ATOM 293 CB VAL A 34 7.406 -1.694 -12.353 1.00 0.34 C ATOM 294 CG1 VAL A 34 7.958 -0.829 -11.231 1.00 0.35 C ATOM 295 CG2 VAL A 34 6.855 -2.998 -11.796 1.00 0.33 C ATOM 0 H VAL A 34 5.134 -1.086 -11.436 1.00 0.24 H new ATOM 0 HA VAL A 34 6.754 0.015 -13.491 1.00 0.31 H new ATOM 0 HB VAL A 34 8.220 -1.934 -13.037 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.716 -1.387 -10.681 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.404 0.072 -11.652 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.150 -0.551 -10.554 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.636 -3.514 -11.238 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.016 -2.785 -11.133 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.517 -3.630 -12.617 1.00 0.33 H new ATOM 299 N GLU A 35 4.786 -2.456 -14.242 1.00 0.35 N ATOM 300 CA GLU A 35 4.259 -3.282 -15.325 1.00 0.46 C ATOM 301 C GLU A 35 4.012 -2.445 -16.579 1.00 0.50 C ATOM 302 O GLU A 35 4.464 -2.795 -17.669 1.00 0.61 O ATOM 303 CB GLU A 35 2.962 -3.963 -14.875 1.00 0.50 C ATOM 304 CG GLU A 35 2.290 -4.789 -15.958 1.00 0.70 C ATOM 305 CD GLU A 35 1.068 -5.522 -15.448 1.00 1.49 C ATOM 306 OE1 GLU A 35 -0.019 -4.908 -15.372 1.00 2.19 O ATOM 307 OE2 GLU A 35 1.189 -6.713 -15.103 1.00 2.22 O ATOM 0 H GLU A 35 4.219 -2.468 -13.394 1.00 0.35 H new ATOM 0 HA GLU A 35 4.997 -4.045 -15.570 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.179 -4.607 -14.023 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.264 -3.200 -14.529 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.002 -4.137 -16.783 1.00 0.70 H new ATOM 0 HG3 GLU A 35 3.003 -5.510 -16.357 1.00 0.70 H new ATOM 314 N LYS A 36 3.310 -1.334 -16.416 1.00 0.47 N ATOM 315 CA LYS A 36 2.991 -0.465 -17.542 1.00 0.54 C ATOM 316 C LYS A 36 3.942 0.727 -17.618 1.00 0.50 C ATOM 317 O LYS A 36 3.779 1.619 -18.451 1.00 0.60 O ATOM 318 CB LYS A 36 1.537 0.006 -17.455 1.00 0.67 C ATOM 319 CG LYS A 36 1.109 0.422 -16.057 1.00 0.71 C ATOM 320 CD LYS A 36 -0.329 0.910 -16.039 1.00 0.97 C ATOM 321 CE LYS A 36 -0.830 1.120 -14.621 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.874 -0.153 -13.852 1.00 2.08 N ATOM 0 H LYS A 36 2.950 -1.012 -15.517 1.00 0.47 H new ATOM 0 HA LYS A 36 3.118 -1.043 -18.457 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.396 0.848 -18.133 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.884 -0.795 -17.801 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.217 -0.422 -15.376 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.767 1.211 -15.693 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.404 1.845 -16.594 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.966 0.186 -16.547 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.182 1.831 -14.109 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -1.826 1.561 -14.650 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.434 -0.016 -12.986 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.312 -0.895 -14.434 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 0.093 -0.438 -13.597 1.00 2.08 H new ATOM 336 N LYS A 37 4.943 0.708 -16.736 1.00 0.47 N ATOM 337 CA LYS A 37 5.970 1.747 -16.666 1.00 0.54 C ATOM 338 C LYS A 37 5.341 3.128 -16.466 1.00 0.59 C ATOM 339 O LYS A 37 5.523 4.040 -17.270 1.00 0.75 O ATOM 340 CB LYS A 37 6.856 1.709 -17.919 1.00 0.71 C ATOM 341 CG LYS A 37 8.109 2.570 -17.825 1.00 1.18 C ATOM 342 CD LYS A 37 9.049 2.306 -18.992 1.00 1.41 C ATOM 343 CE LYS A 37 10.261 3.224 -18.964 1.00 1.98 C ATOM 344 NZ LYS A 37 9.891 4.644 -19.202 1.00 2.60 N ATOM 0 H LYS A 37 5.064 -0.034 -16.046 1.00 0.47 H new ATOM 0 HA LYS A 37 6.602 1.550 -15.800 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.151 0.677 -18.110 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.268 2.036 -18.776 1.00 0.71 H new ATOM 0 HG2 LYS A 37 7.829 3.623 -17.812 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.624 2.365 -16.887 1.00 1.18 H new ATOM 0 HD2 LYS A 37 9.380 1.268 -18.964 1.00 1.41 H new ATOM 0 HD3 LYS A 37 8.511 2.444 -19.930 1.00 1.41 H new ATOM 0 HE2 LYS A 37 10.760 3.136 -17.999 1.00 1.98 H new ATOM 0 HE3 LYS A 37 10.976 2.904 -19.722 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 10.751 5.202 -19.377 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 9.264 4.705 -20.030 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 9.399 5.019 -18.366 1.00 2.60 H new ATOM 358 N GLU A 38 4.598 3.265 -15.378 1.00 0.54 N ATOM 359 CA GLU A 38 3.971 4.534 -15.023 1.00 0.68 C ATOM 360 C GLU A 38 4.800 5.226 -13.959 1.00 0.69 C ATOM 361 O GLU A 38 4.473 6.315 -13.484 1.00 1.03 O ATOM 362 CB GLU A 38 2.549 4.305 -14.515 1.00 0.79 C ATOM 363 CG GLU A 38 1.567 3.950 -15.614 1.00 1.36 C ATOM 364 CD GLU A 38 1.340 5.095 -16.575 1.00 1.41 C ATOM 365 OE1 GLU A 38 0.623 6.043 -16.211 1.00 1.86 O ATOM 366 OE2 GLU A 38 1.880 5.052 -17.700 1.00 2.12 O ATOM 0 H GLU A 38 4.412 2.508 -14.720 1.00 0.54 H new ATOM 0 HA GLU A 38 3.920 5.165 -15.910 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.560 3.505 -13.775 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.204 5.205 -14.006 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.938 3.085 -16.164 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.616 3.659 -15.168 1.00 1.36 H new ATOM 373 N ILE A 39 5.876 4.563 -13.592 1.00 0.42 N ATOM 374 CA ILE A 39 6.793 5.063 -12.587 1.00 0.43 C ATOM 375 C ILE A 39 8.112 5.455 -13.245 1.00 0.48 C ATOM 376 O ILE A 39 8.445 4.960 -14.324 1.00 0.51 O ATOM 377 CB ILE A 39 7.039 3.992 -11.504 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.933 4.531 -10.390 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.648 2.738 -12.121 1.00 0.36 C ATOM 380 CD1 ILE A 39 8.129 3.551 -9.262 1.00 0.47 C ATOM 0 H ILE A 39 6.141 3.659 -13.983 1.00 0.42 H new ATOM 0 HA ILE A 39 6.354 5.941 -12.113 1.00 0.43 H new ATOM 0 HB ILE A 39 6.077 3.730 -11.065 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.905 4.794 -10.808 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.497 5.448 -9.995 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.815 1.994 -11.342 1.00 0.36 H new ATOM 0 HG22 ILE A 39 6.967 2.334 -12.870 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.598 2.989 -12.592 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.774 3.994 -8.503 1.00 0.47 H new ATOM 0 HD12 ILE A 39 7.163 3.307 -8.820 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.593 2.642 -9.646 1.00 0.47 H new ATOM 387 N SER A 40 8.846 6.356 -12.607 1.00 0.54 N ATOM 388 CA SER A 40 10.132 6.787 -13.114 1.00 0.62 C ATOM 389 C SER A 40 11.125 5.626 -13.120 1.00 0.53 C ATOM 390 O SER A 40 11.055 4.747 -12.258 1.00 0.48 O ATOM 391 CB SER A 40 10.666 7.944 -12.267 1.00 0.76 C ATOM 392 OG SER A 40 10.657 7.610 -10.889 1.00 1.82 O ATOM 0 H SER A 40 8.567 6.802 -11.733 1.00 0.54 H new ATOM 0 HA SER A 40 10.006 7.131 -14.141 1.00 0.62 H new ATOM 0 HB2 SER A 40 11.681 8.190 -12.579 1.00 0.76 H new ATOM 0 HB3 SER A 40 10.057 8.833 -12.434 1.00 0.76 H new ATOM 0 HG SER A 40 11.004 8.364 -10.367 1.00 1.82 H new ATOM 398 N GLU A 41 12.026 5.610 -14.094 1.00 0.59 N ATOM 399 CA GLU A 41 13.020 4.543 -14.203 1.00 0.60 C ATOM 400 C GLU A 41 13.765 4.342 -12.883 1.00 0.49 C ATOM 401 O GLU A 41 13.899 3.213 -12.397 1.00 0.46 O ATOM 402 CB GLU A 41 14.002 4.857 -15.331 1.00 0.78 C ATOM 403 CG GLU A 41 14.509 6.288 -15.319 1.00 1.07 C ATOM 404 CD GLU A 41 15.399 6.601 -16.498 1.00 1.43 C ATOM 405 OE1 GLU A 41 14.872 7.025 -17.548 1.00 1.99 O ATOM 406 OE2 GLU A 41 16.629 6.438 -16.376 1.00 2.19 O ATOM 0 H GLU A 41 12.091 6.322 -14.821 1.00 0.59 H new ATOM 0 HA GLU A 41 12.499 3.614 -14.434 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.853 4.179 -15.259 1.00 0.78 H new ATOM 0 HB3 GLU A 41 13.518 4.661 -16.287 1.00 0.78 H new ATOM 0 HG2 GLU A 41 13.659 6.970 -15.320 1.00 1.07 H new ATOM 0 HG3 GLU A 41 15.060 6.466 -14.396 1.00 1.07 H new ATOM 413 N ASP A 42 14.224 5.445 -12.304 1.00 0.52 N ATOM 414 CA ASP A 42 14.915 5.420 -11.017 1.00 0.52 C ATOM 415 C ASP A 42 14.016 4.843 -9.932 1.00 0.43 C ATOM 416 O ASP A 42 14.417 3.942 -9.195 1.00 0.47 O ATOM 417 CB ASP A 42 15.353 6.830 -10.614 1.00 0.62 C ATOM 418 CG ASP A 42 16.368 7.430 -11.564 1.00 1.50 C ATOM 419 OD1 ASP A 42 15.958 8.084 -12.546 1.00 2.21 O ATOM 420 OD2 ASP A 42 17.583 7.257 -11.332 1.00 2.30 O ATOM 0 H ASP A 42 14.130 6.377 -12.708 1.00 0.52 H new ATOM 0 HA ASP A 42 15.795 4.786 -11.125 1.00 0.52 H new ATOM 0 HB2 ASP A 42 14.477 7.478 -10.571 1.00 0.62 H new ATOM 0 HB3 ASP A 42 15.777 6.800 -9.610 1.00 0.62 H new ATOM 425 N GLY A 43 12.793 5.357 -9.858 1.00 0.39 N ATOM 426 CA GLY A 43 11.854 4.927 -8.839 1.00 0.37 C ATOM 427 C GLY A 43 11.528 3.451 -8.929 1.00 0.34 C ATOM 428 O GLY A 43 11.305 2.797 -7.911 1.00 0.35 O ATOM 0 H GLY A 43 12.433 6.070 -10.492 1.00 0.39 H new ATOM 0 HA2 GLY A 43 12.268 5.144 -7.854 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.934 5.504 -8.932 1.00 0.37 H new ATOM 432 N ALA A 44 11.496 2.927 -10.149 1.00 0.33 N ATOM 433 CA ALA A 44 11.223 1.512 -10.371 1.00 0.33 C ATOM 434 C ALA A 44 12.253 0.644 -9.660 1.00 0.32 C ATOM 435 O ALA A 44 11.904 -0.324 -8.984 1.00 0.31 O ATOM 436 CB ALA A 44 11.208 1.203 -11.860 1.00 0.38 C ATOM 0 H ALA A 44 11.656 3.463 -11.002 1.00 0.33 H new ATOM 0 HA ALA A 44 10.241 1.285 -9.957 1.00 0.33 H new ATOM 0 HB1 ALA A 44 11.003 0.143 -12.010 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.433 1.795 -12.347 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.178 1.450 -12.293 1.00 0.38 H new ATOM 442 N ASP A 45 13.521 1.013 -9.797 1.00 0.36 N ATOM 443 CA ASP A 45 14.604 0.276 -9.158 1.00 0.38 C ATOM 444 C ASP A 45 14.557 0.477 -7.649 1.00 0.36 C ATOM 445 O ASP A 45 14.848 -0.438 -6.876 1.00 0.37 O ATOM 446 CB ASP A 45 15.960 0.725 -9.704 1.00 0.48 C ATOM 447 CG ASP A 45 17.109 -0.086 -9.137 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.397 -1.175 -9.678 1.00 1.84 O ATOM 449 OD2 ASP A 45 17.729 0.355 -8.146 1.00 1.81 O ATOM 0 H ASP A 45 13.824 1.818 -10.345 1.00 0.36 H new ATOM 0 HA ASP A 45 14.476 -0.783 -9.380 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.958 0.637 -10.790 1.00 0.48 H new ATOM 0 HB3 ASP A 45 16.112 1.779 -9.470 1.00 0.48 H new ATOM 454 N SER A 46 14.171 1.678 -7.238 1.00 0.38 N ATOM 455 CA SER A 46 14.012 1.989 -5.828 1.00 0.41 C ATOM 456 C SER A 46 12.922 1.113 -5.206 1.00 0.36 C ATOM 457 O SER A 46 13.036 0.680 -4.061 1.00 0.39 O ATOM 458 CB SER A 46 13.676 3.473 -5.656 1.00 0.51 C ATOM 459 OG SER A 46 14.633 4.286 -6.318 1.00 0.98 O ATOM 0 H SER A 46 13.962 2.454 -7.866 1.00 0.38 H new ATOM 0 HA SER A 46 14.950 1.781 -5.313 1.00 0.41 H new ATOM 0 HB2 SER A 46 12.682 3.674 -6.056 1.00 0.51 H new ATOM 0 HB3 SER A 46 13.650 3.724 -4.596 1.00 0.51 H new ATOM 0 HG SER A 46 14.631 5.182 -5.922 1.00 0.98 H new ATOM 465 N LEU A 47 11.872 0.834 -5.971 1.00 0.32 N ATOM 466 CA LEU A 47 10.811 -0.044 -5.496 1.00 0.30 C ATOM 467 C LEU A 47 11.261 -1.497 -5.488 1.00 0.27 C ATOM 468 O LEU A 47 10.637 -2.333 -4.848 1.00 0.29 O ATOM 469 CB LEU A 47 9.543 0.099 -6.339 1.00 0.30 C ATOM 470 CG LEU A 47 8.726 1.370 -6.094 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.422 1.309 -6.871 1.00 0.39 C ATOM 472 CD2 LEU A 47 8.450 1.559 -4.609 1.00 0.41 C ATOM 0 H LEU A 47 11.734 1.199 -6.913 1.00 0.32 H new ATOM 0 HA LEU A 47 10.582 0.259 -4.474 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.823 0.066 -7.392 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.904 -0.764 -6.151 1.00 0.30 H new ATOM 0 HG LEU A 47 9.306 2.225 -6.442 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.848 2.218 -6.690 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.637 1.221 -7.936 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.844 0.444 -6.545 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.868 2.469 -4.460 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.890 0.704 -4.231 1.00 0.41 H new ATOM 0 HD23 LEU A 47 9.394 1.640 -4.071 1.00 0.41 H new ATOM 484 N ASN A 48 12.341 -1.797 -6.194 1.00 0.26 N ATOM 485 CA ASN A 48 12.873 -3.156 -6.217 1.00 0.26 C ATOM 486 C ASN A 48 13.563 -3.485 -4.900 1.00 0.28 C ATOM 487 O ASN A 48 13.327 -4.542 -4.315 1.00 0.32 O ATOM 488 CB ASN A 48 13.848 -3.349 -7.383 1.00 0.28 C ATOM 489 CG ASN A 48 13.158 -3.371 -8.733 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.702 -2.891 -9.727 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.969 -3.957 -8.791 1.00 0.40 N ATOM 0 H ASN A 48 12.865 -1.125 -6.755 1.00 0.26 H new ATOM 0 HA ASN A 48 12.034 -3.838 -6.355 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.585 -2.546 -7.370 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.392 -4.283 -7.244 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.475 -4.021 -9.681 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.549 -4.344 -7.946 1.00 0.40 H new ATOM 498 N VAL A 49 14.412 -2.581 -4.424 1.00 0.27 N ATOM 499 CA VAL A 49 15.061 -2.775 -3.132 1.00 0.29 C ATOM 500 C VAL A 49 14.020 -2.691 -2.014 1.00 0.30 C ATOM 501 O VAL A 49 14.090 -3.418 -1.023 1.00 0.32 O ATOM 502 CB VAL A 49 16.211 -1.757 -2.891 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.706 -0.322 -2.890 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.944 -2.063 -1.591 1.00 0.36 C ATOM 0 H VAL A 49 14.665 -1.718 -4.905 1.00 0.27 H new ATOM 0 HA VAL A 49 15.515 -3.766 -3.132 1.00 0.29 H new ATOM 0 HB VAL A 49 16.911 -1.861 -3.720 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.541 0.357 -2.718 1.00 0.34 H new ATOM 0 HG12 VAL A 49 15.247 -0.097 -3.853 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.968 -0.197 -2.098 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.744 -1.337 -1.445 1.00 0.36 H new ATOM 0 HG22 VAL A 49 16.245 -2.005 -0.757 1.00 0.36 H new ATOM 0 HG23 VAL A 49 17.369 -3.066 -1.640 1.00 0.36 H new ATOM 508 N ALA A 50 13.028 -1.826 -2.213 1.00 0.30 N ATOM 509 CA ALA A 50 11.931 -1.682 -1.269 1.00 0.34 C ATOM 510 C ALA A 50 11.055 -2.930 -1.260 1.00 0.34 C ATOM 511 O ALA A 50 10.537 -3.324 -0.219 1.00 0.37 O ATOM 512 CB ALA A 50 11.097 -0.459 -1.617 1.00 0.37 C ATOM 0 H ALA A 50 12.965 -1.213 -3.026 1.00 0.30 H new ATOM 0 HA ALA A 50 12.352 -1.553 -0.272 1.00 0.34 H new ATOM 0 HB1 ALA A 50 10.279 -0.362 -0.903 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.723 0.432 -1.575 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.690 -0.570 -2.622 1.00 0.37 H new ATOM 518 N MET A 51 10.908 -3.546 -2.429 1.00 0.34 N ATOM 519 CA MET A 51 10.074 -4.734 -2.594 1.00 0.39 C ATOM 520 C MET A 51 10.514 -5.836 -1.645 1.00 0.31 C ATOM 521 O MET A 51 9.689 -6.474 -0.983 1.00 0.30 O ATOM 522 CB MET A 51 10.161 -5.236 -4.035 1.00 0.52 C ATOM 523 CG MET A 51 9.082 -6.237 -4.410 1.00 0.62 C ATOM 524 SD MET A 51 7.423 -5.536 -4.300 1.00 0.65 S ATOM 525 CE MET A 51 7.641 -4.013 -5.221 1.00 0.41 C ATOM 0 H MET A 51 11.363 -3.237 -3.288 1.00 0.34 H new ATOM 0 HA MET A 51 9.043 -4.464 -2.363 1.00 0.39 H new ATOM 0 HB2 MET A 51 10.100 -4.382 -4.710 1.00 0.52 H new ATOM 0 HB3 MET A 51 11.137 -5.695 -4.190 1.00 0.52 H new ATOM 0 HG2 MET A 51 9.257 -6.592 -5.426 1.00 0.62 H new ATOM 0 HG3 MET A 51 9.151 -7.104 -3.753 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.696 -3.729 -5.684 1.00 0.41 H new ATOM 0 HE2 MET A 51 7.965 -3.222 -4.545 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.394 -4.160 -5.995 1.00 0.41 H new ATOM 535 N ASP A 52 11.822 -6.046 -1.576 1.00 0.31 N ATOM 536 CA ASP A 52 12.385 -7.048 -0.686 1.00 0.32 C ATOM 537 C ASP A 52 12.121 -6.672 0.763 1.00 0.28 C ATOM 538 O ASP A 52 11.796 -7.523 1.583 1.00 0.30 O ATOM 539 CB ASP A 52 13.888 -7.196 -0.920 1.00 0.42 C ATOM 540 CG ASP A 52 14.485 -8.317 -0.095 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.322 -9.493 -0.485 1.00 1.84 O ATOM 542 OD2 ASP A 52 15.115 -8.029 0.947 1.00 1.99 O ATOM 0 H ASP A 52 12.512 -5.535 -2.127 1.00 0.31 H new ATOM 0 HA ASP A 52 11.905 -8.003 -0.900 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.073 -7.386 -1.977 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.387 -6.259 -0.673 1.00 0.42 H new ATOM 547 N CYS A 53 12.240 -5.384 1.060 1.00 0.27 N ATOM 548 CA CYS A 53 12.008 -4.875 2.406 1.00 0.27 C ATOM 549 C CYS A 53 10.555 -5.071 2.832 1.00 0.29 C ATOM 550 O CYS A 53 10.285 -5.455 3.969 1.00 0.36 O ATOM 551 CB CYS A 53 12.385 -3.398 2.476 1.00 0.36 C ATOM 552 SG CYS A 53 14.125 -3.074 2.118 1.00 1.05 S ATOM 0 H CYS A 53 12.498 -4.668 0.381 1.00 0.27 H new ATOM 0 HA CYS A 53 12.636 -5.440 3.095 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.768 -2.841 1.770 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.152 -3.019 3.471 1.00 0.36 H new ATOM 0 HG CYS A 53 14.334 -3.191 0.840 1.00 1.05 H new ATOM 558 N ILE A 54 9.623 -4.812 1.918 1.00 0.26 N ATOM 559 CA ILE A 54 8.204 -5.023 2.193 1.00 0.29 C ATOM 560 C ILE A 54 7.945 -6.499 2.470 1.00 0.30 C ATOM 561 O ILE A 54 7.342 -6.860 3.478 1.00 0.33 O ATOM 562 CB ILE A 54 7.313 -4.567 1.013 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.602 -3.108 0.650 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.840 -4.741 1.366 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.928 -2.653 -0.629 1.00 0.34 C ATOM 0 H ILE A 54 9.824 -4.457 0.983 1.00 0.26 H new ATOM 0 HA ILE A 54 7.948 -4.422 3.066 1.00 0.29 H new ATOM 0 HB ILE A 54 7.543 -5.189 0.148 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.276 -2.468 1.470 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.679 -2.974 0.550 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.224 -4.416 0.527 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.639 -5.791 1.579 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.603 -4.140 2.244 1.00 0.33 H new ATOM 0 HD11 ILE A 54 7.179 -1.610 -0.821 1.00 0.34 H new ATOM 0 HD12 ILE A 54 7.272 -3.268 -1.460 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.847 -2.753 -0.526 1.00 0.34 H new ATOM 572 N SER A 55 8.438 -7.346 1.577 1.00 0.30 N ATOM 573 CA SER A 55 8.283 -8.788 1.713 1.00 0.36 C ATOM 574 C SER A 55 8.910 -9.281 3.020 1.00 0.38 C ATOM 575 O SER A 55 8.324 -10.096 3.735 1.00 0.41 O ATOM 576 CB SER A 55 8.927 -9.484 0.513 1.00 0.40 C ATOM 577 OG SER A 55 8.414 -8.973 -0.708 1.00 0.80 O ATOM 0 H SER A 55 8.952 -7.057 0.745 1.00 0.30 H new ATOM 0 HA SER A 55 7.220 -9.029 1.741 1.00 0.36 H new ATOM 0 HB2 SER A 55 10.008 -9.344 0.544 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.742 -10.557 0.568 1.00 0.40 H new ATOM 0 HG SER A 55 8.843 -8.115 -0.909 1.00 0.80 H new ATOM 583 N GLU A 56 10.088 -8.754 3.329 1.00 0.39 N ATOM 584 CA GLU A 56 10.824 -9.108 4.539 1.00 0.48 C ATOM 585 C GLU A 56 10.061 -8.687 5.793 1.00 0.43 C ATOM 586 O GLU A 56 10.017 -9.418 6.783 1.00 0.46 O ATOM 587 CB GLU A 56 12.196 -8.432 4.501 1.00 0.60 C ATOM 588 CG GLU A 56 13.082 -8.730 5.694 1.00 0.83 C ATOM 589 CD GLU A 56 14.471 -8.157 5.525 1.00 1.81 C ATOM 590 OE1 GLU A 56 14.699 -6.999 5.926 1.00 2.66 O ATOM 591 OE2 GLU A 56 15.345 -8.864 4.982 1.00 2.38 O ATOM 0 H GLU A 56 10.563 -8.066 2.745 1.00 0.39 H new ATOM 0 HA GLU A 56 10.945 -10.191 4.576 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.714 -8.743 3.594 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.053 -7.354 4.432 1.00 0.60 H new ATOM 0 HG2 GLU A 56 12.627 -8.319 6.595 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.149 -9.809 5.835 1.00 0.83 H new ATOM 598 N ALA A 57 9.448 -7.512 5.729 1.00 0.39 N ATOM 599 CA ALA A 57 8.720 -6.948 6.859 1.00 0.39 C ATOM 600 C ALA A 57 7.552 -7.832 7.286 1.00 0.33 C ATOM 601 O ALA A 57 7.225 -7.917 8.471 1.00 0.39 O ATOM 602 CB ALA A 57 8.217 -5.560 6.502 1.00 0.42 C ATOM 0 H ALA A 57 9.441 -6.924 4.895 1.00 0.39 H new ATOM 0 HA ALA A 57 9.409 -6.888 7.701 1.00 0.39 H new ATOM 0 HB1 ALA A 57 7.673 -5.141 7.349 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.064 -4.917 6.261 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.553 -5.624 5.640 1.00 0.42 H new ATOM 608 N PHE A 58 6.920 -8.485 6.322 1.00 0.29 N ATOM 609 CA PHE A 58 5.751 -9.303 6.609 1.00 0.28 C ATOM 610 C PHE A 58 6.094 -10.791 6.618 1.00 0.30 C ATOM 611 O PHE A 58 5.318 -11.612 7.111 1.00 0.38 O ATOM 612 CB PHE A 58 4.641 -9.012 5.601 1.00 0.26 C ATOM 613 CG PHE A 58 4.137 -7.596 5.653 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.813 -6.580 4.998 1.00 1.18 C ATOM 615 CD2 PHE A 58 2.989 -7.280 6.358 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.356 -5.279 5.042 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.523 -5.979 6.406 1.00 1.22 C ATOM 618 CZ PHE A 58 3.208 -4.978 5.747 1.00 0.28 C ATOM 0 H PHE A 58 7.195 -8.465 5.340 1.00 0.29 H new ATOM 0 HA PHE A 58 5.398 -9.043 7.607 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.010 -9.221 4.597 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.809 -9.692 5.783 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.711 -6.810 4.444 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.450 -8.059 6.877 1.00 1.24 H new ATOM 0 HE1 PHE A 58 4.895 -4.498 4.526 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.624 -5.746 6.958 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.846 -3.961 5.783 1.00 0.28 H new ATOM 628 N GLY A 59 7.249 -11.133 6.067 1.00 0.34 N ATOM 629 CA GLY A 59 7.728 -12.499 6.132 1.00 0.39 C ATOM 630 C GLY A 59 7.247 -13.365 4.983 1.00 0.38 C ATOM 631 O GLY A 59 7.009 -14.559 5.163 1.00 0.43 O ATOM 0 H GLY A 59 7.865 -10.487 5.574 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.818 -12.493 6.140 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.404 -12.945 7.073 1.00 0.39 H new ATOM 635 N PHE A 60 7.109 -12.777 3.802 1.00 0.35 N ATOM 636 CA PHE A 60 6.712 -13.536 2.623 1.00 0.39 C ATOM 637 C PHE A 60 7.630 -13.208 1.454 1.00 0.40 C ATOM 638 O PHE A 60 8.478 -12.321 1.557 1.00 0.42 O ATOM 639 CB PHE A 60 5.242 -13.269 2.250 1.00 0.40 C ATOM 640 CG PHE A 60 4.934 -11.860 1.805 1.00 0.31 C ATOM 641 CD1 PHE A 60 5.153 -11.466 0.492 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.405 -10.938 2.692 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.857 -10.182 0.077 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.103 -9.653 2.281 1.00 1.20 C ATOM 645 CZ PHE A 60 4.331 -9.274 0.973 1.00 0.33 C ATOM 0 H PHE A 60 7.265 -11.783 3.635 1.00 0.35 H new ATOM 0 HA PHE A 60 6.804 -14.596 2.858 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.957 -13.955 1.452 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.617 -13.505 3.112 1.00 0.40 H new ATOM 0 HD1 PHE A 60 5.561 -12.173 -0.215 1.00 1.19 H new ATOM 0 HD2 PHE A 60 4.226 -11.226 3.717 1.00 1.22 H new ATOM 0 HE1 PHE A 60 5.037 -9.889 -0.947 1.00 1.22 H new ATOM 0 HE2 PHE A 60 3.688 -8.945 2.983 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.098 -8.269 0.652 1.00 0.33 H new ATOM 655 N GLU A 61 7.474 -13.940 0.361 1.00 0.48 N ATOM 656 CA GLU A 61 8.257 -13.690 -0.838 1.00 0.55 C ATOM 657 C GLU A 61 7.367 -13.085 -1.914 1.00 0.50 C ATOM 658 O GLU A 61 6.156 -13.312 -1.906 1.00 0.48 O ATOM 659 CB GLU A 61 8.901 -14.980 -1.369 1.00 0.70 C ATOM 660 CG GLU A 61 9.824 -15.684 -0.380 1.00 0.81 C ATOM 661 CD GLU A 61 9.076 -16.473 0.677 1.00 1.48 C ATOM 662 OE1 GLU A 61 8.459 -17.503 0.330 1.00 2.05 O ATOM 663 OE2 GLU A 61 9.091 -16.068 1.856 1.00 2.33 O ATOM 0 H GLU A 61 6.812 -14.712 0.280 1.00 0.48 H new ATOM 0 HA GLU A 61 9.055 -12.994 -0.580 1.00 0.55 H new ATOM 0 HB2 GLU A 61 8.110 -15.671 -1.663 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.468 -14.743 -2.269 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.486 -16.357 -0.926 1.00 0.81 H new ATOM 0 HG3 GLU A 61 10.456 -14.942 0.109 1.00 0.81 H new ATOM 670 N ARG A 62 7.946 -12.328 -2.836 1.00 0.54 N ATOM 671 CA ARG A 62 7.159 -11.677 -3.882 1.00 0.53 C ATOM 672 C ARG A 62 6.386 -12.705 -4.701 1.00 0.53 C ATOM 673 O ARG A 62 5.203 -12.526 -4.969 1.00 0.64 O ATOM 674 CB ARG A 62 8.054 -10.836 -4.794 1.00 0.63 C ATOM 675 CG ARG A 62 7.286 -10.073 -5.861 1.00 1.40 C ATOM 676 CD ARG A 62 8.214 -9.258 -6.744 1.00 1.46 C ATOM 677 NE ARG A 62 7.482 -8.502 -7.760 1.00 2.25 N ATOM 678 CZ ARG A 62 8.046 -7.607 -8.570 1.00 2.60 C ATOM 679 NH1 ARG A 62 9.347 -7.359 -8.486 1.00 2.13 N ATOM 680 NH2 ARG A 62 7.310 -6.959 -9.466 1.00 3.67 N ATOM 0 H ARG A 62 8.949 -12.149 -2.884 1.00 0.54 H new ATOM 0 HA ARG A 62 6.442 -11.015 -3.396 1.00 0.53 H new ATOM 0 HB2 ARG A 62 8.616 -10.127 -4.185 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.782 -11.488 -5.277 1.00 0.63 H new ATOM 0 HG2 ARG A 62 6.722 -10.775 -6.475 1.00 1.40 H new ATOM 0 HG3 ARG A 62 6.562 -9.412 -5.386 1.00 1.40 H new ATOM 0 HD2 ARG A 62 8.791 -8.570 -6.126 1.00 1.46 H new ATOM 0 HD3 ARG A 62 8.927 -9.923 -7.231 1.00 1.46 H new ATOM 0 HE ARG A 62 6.480 -8.670 -7.854 1.00 2.25 H new ATOM 0 HH11 ARG A 62 9.917 -7.854 -7.800 1.00 2.13 H new ATOM 0 HH12 ARG A 62 9.777 -6.673 -9.107 1.00 2.13 H new ATOM 0 HH21 ARG A 62 6.310 -7.146 -9.536 1.00 3.67 H new ATOM 0 HH22 ARG A 62 7.745 -6.274 -10.084 1.00 3.67 H new ATOM 694 N GLU A 63 7.039 -13.805 -5.053 1.00 0.58 N ATOM 695 CA GLU A 63 6.404 -14.844 -5.864 1.00 0.64 C ATOM 696 C GLU A 63 5.388 -15.656 -5.059 1.00 0.63 C ATOM 697 O GLU A 63 4.889 -16.680 -5.525 1.00 0.75 O ATOM 698 CB GLU A 63 7.456 -15.779 -6.463 1.00 0.74 C ATOM 699 CG GLU A 63 8.431 -15.076 -7.391 1.00 1.70 C ATOM 700 CD GLU A 63 7.731 -14.229 -8.434 1.00 2.53 C ATOM 701 OE1 GLU A 63 7.211 -14.794 -9.420 1.00 3.20 O ATOM 702 OE2 GLU A 63 7.688 -12.992 -8.266 1.00 3.12 O ATOM 0 H GLU A 63 8.005 -14.004 -4.792 1.00 0.58 H new ATOM 0 HA GLU A 63 5.870 -14.339 -6.669 1.00 0.64 H new ATOM 0 HB2 GLU A 63 8.013 -16.252 -5.654 1.00 0.74 H new ATOM 0 HB3 GLU A 63 6.953 -16.575 -7.012 1.00 0.74 H new ATOM 0 HG2 GLU A 63 9.097 -14.445 -6.803 1.00 1.70 H new ATOM 0 HG3 GLU A 63 9.054 -15.819 -7.889 1.00 1.70 H new ATOM 709 N ALA A 64 5.090 -15.204 -3.849 1.00 0.55 N ATOM 710 CA ALA A 64 4.113 -15.873 -3.009 1.00 0.60 C ATOM 711 C ALA A 64 2.869 -15.012 -2.814 1.00 0.54 C ATOM 712 O ALA A 64 1.909 -15.441 -2.172 1.00 0.57 O ATOM 713 CB ALA A 64 4.729 -16.231 -1.668 1.00 0.67 C ATOM 0 H ALA A 64 5.512 -14.376 -3.429 1.00 0.55 H new ATOM 0 HA ALA A 64 3.807 -16.791 -3.512 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.985 -16.732 -1.048 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.579 -16.896 -1.824 1.00 0.67 H new ATOM 0 HB3 ALA A 64 5.066 -15.323 -1.168 1.00 0.67 H new ATOM 719 N VAL A 65 2.878 -13.802 -3.374 1.00 0.51 N ATOM 720 CA VAL A 65 1.745 -12.889 -3.219 1.00 0.47 C ATOM 721 C VAL A 65 0.492 -13.467 -3.876 1.00 0.53 C ATOM 722 O VAL A 65 -0.622 -13.271 -3.390 1.00 0.54 O ATOM 723 CB VAL A 65 2.041 -11.473 -3.783 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.413 -11.517 -5.252 1.00 0.51 C ATOM 725 CG2 VAL A 65 0.857 -10.548 -3.579 1.00 0.50 C ATOM 0 H VAL A 65 3.648 -13.434 -3.933 1.00 0.51 H new ATOM 0 HA VAL A 65 1.572 -12.782 -2.148 1.00 0.47 H new ATOM 0 HB VAL A 65 2.895 -11.084 -3.229 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.612 -10.506 -5.607 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.305 -12.130 -5.383 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.590 -11.947 -5.823 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.091 -9.563 -3.983 1.00 0.50 H new ATOM 0 HG22 VAL A 65 -0.014 -10.953 -4.093 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.642 -10.462 -2.514 1.00 0.50 H new ATOM 729 N SER A 66 0.686 -14.208 -4.963 1.00 0.63 N ATOM 730 CA SER A 66 -0.413 -14.872 -5.645 1.00 0.75 C ATOM 731 C SER A 66 -1.138 -15.815 -4.686 1.00 0.76 C ATOM 732 O SER A 66 -2.369 -15.824 -4.614 1.00 0.84 O ATOM 733 CB SER A 66 0.115 -15.647 -6.856 1.00 0.89 C ATOM 734 OG SER A 66 -0.935 -16.289 -7.558 1.00 1.63 O ATOM 0 H SER A 66 1.600 -14.362 -5.390 1.00 0.63 H new ATOM 0 HA SER A 66 -1.121 -14.119 -5.991 1.00 0.75 H new ATOM 0 HB2 SER A 66 0.639 -14.965 -7.526 1.00 0.89 H new ATOM 0 HB3 SER A 66 0.841 -16.390 -6.526 1.00 0.89 H new ATOM 0 HG SER A 66 -0.567 -16.774 -8.326 1.00 1.63 H new ATOM 740 N GLY A 67 -0.361 -16.588 -3.934 1.00 0.73 N ATOM 741 CA GLY A 67 -0.930 -17.509 -2.974 1.00 0.75 C ATOM 742 C GLY A 67 -1.660 -16.793 -1.860 1.00 0.70 C ATOM 743 O GLY A 67 -2.764 -17.190 -1.481 1.00 0.76 O ATOM 0 H GLY A 67 0.658 -16.591 -3.975 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.619 -18.183 -3.483 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.137 -18.125 -2.550 1.00 0.75 H new ATOM 747 N ILE A 68 -1.051 -15.727 -1.346 1.00 0.63 N ATOM 748 CA ILE A 68 -1.659 -14.932 -0.288 1.00 0.59 C ATOM 749 C ILE A 68 -2.992 -14.356 -0.749 1.00 0.63 C ATOM 750 O ILE A 68 -3.996 -14.469 -0.055 1.00 0.71 O ATOM 751 CB ILE A 68 -0.745 -13.771 0.166 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.622 -14.299 0.606 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.402 -12.992 1.300 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.589 -13.204 1.003 1.00 0.45 C ATOM 0 H ILE A 68 -0.135 -15.395 -1.648 1.00 0.63 H new ATOM 0 HA ILE A 68 -1.813 -15.603 0.557 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.597 -13.100 -0.680 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.487 -14.978 1.448 1.00 0.50 H new ATOM 0 HG13 ILE A 68 1.057 -14.881 -0.206 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.747 -12.178 1.609 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.352 -12.583 0.957 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.577 -13.658 2.145 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.538 -13.648 1.304 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.752 -12.538 0.156 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.174 -12.636 1.836 1.00 0.45 H new ATOM 761 N LEU A 69 -2.995 -13.754 -1.935 1.00 0.62 N ATOM 762 CA LEU A 69 -4.204 -13.158 -2.492 1.00 0.67 C ATOM 763 C LEU A 69 -5.283 -14.208 -2.715 1.00 0.85 C ATOM 764 O LEU A 69 -6.450 -13.970 -2.414 1.00 1.14 O ATOM 765 CB LEU A 69 -3.886 -12.427 -3.798 1.00 0.62 C ATOM 766 CG LEU A 69 -3.042 -11.161 -3.632 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.672 -10.574 -4.982 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.790 -10.133 -2.795 1.00 0.45 C ATOM 0 H LEU A 69 -2.171 -13.666 -2.530 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.586 -12.435 -1.772 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.362 -13.112 -4.464 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.823 -12.161 -4.287 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.121 -11.432 -3.116 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -2.073 -9.675 -4.836 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.098 -11.305 -5.551 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.580 -10.320 -5.529 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.178 -9.238 -2.685 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.726 -9.874 -3.289 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -4.002 -10.550 -1.811 1.00 0.45 H new ATOM 780 N GLY A 70 -4.890 -15.370 -3.215 1.00 0.81 N ATOM 781 CA GLY A 70 -5.844 -16.443 -3.432 1.00 0.94 C ATOM 782 C GLY A 70 -6.459 -16.941 -2.137 1.00 0.99 C ATOM 783 O GLY A 70 -7.609 -17.379 -2.115 1.00 1.25 O ATOM 0 H GLY A 70 -3.929 -15.591 -3.475 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.635 -16.094 -4.096 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.347 -17.271 -3.937 1.00 0.94 H new ATOM 787 N LYS A 71 -5.698 -16.860 -1.053 1.00 0.87 N ATOM 788 CA LYS A 71 -6.155 -17.333 0.246 1.00 0.98 C ATOM 789 C LYS A 71 -6.437 -16.173 1.196 1.00 0.99 C ATOM 790 O LYS A 71 -6.448 -16.346 2.416 1.00 1.26 O ATOM 791 CB LYS A 71 -5.107 -18.256 0.864 1.00 1.11 C ATOM 792 CG LYS A 71 -4.967 -19.597 0.156 1.00 1.69 C ATOM 793 CD LYS A 71 -6.227 -20.445 0.285 1.00 2.11 C ATOM 794 CE LYS A 71 -6.531 -20.790 1.737 1.00 2.60 C ATOM 795 NZ LYS A 71 -5.436 -21.576 2.366 1.00 3.16 N ATOM 0 H LYS A 71 -4.756 -16.469 -1.049 1.00 0.87 H new ATOM 0 HA LYS A 71 -7.084 -17.881 0.092 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.142 -17.750 0.855 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -5.365 -18.433 1.908 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -4.749 -19.429 -0.899 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -4.120 -20.141 0.574 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -7.072 -19.908 -0.145 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -6.107 -21.364 -0.289 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -6.688 -19.871 2.302 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -7.460 -21.358 1.787 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -5.757 -21.947 3.283 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -5.175 -22.368 1.744 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -4.608 -20.963 2.512 1.00 3.16 H new ATOM 809 N SER A 72 -6.666 -14.997 0.641 1.00 0.92 N ATOM 810 CA SER A 72 -6.920 -13.821 1.456 1.00 1.08 C ATOM 811 C SER A 72 -8.411 -13.540 1.526 1.00 1.04 C ATOM 812 O SER A 72 -9.179 -13.989 0.674 1.00 1.21 O ATOM 813 CB SER A 72 -6.192 -12.595 0.889 1.00 1.30 C ATOM 814 OG SER A 72 -6.710 -12.220 -0.380 1.00 2.02 O ATOM 0 H SER A 72 -6.682 -14.830 -0.365 1.00 0.92 H new ATOM 0 HA SER A 72 -6.543 -14.019 2.459 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.289 -11.760 1.583 1.00 1.30 H new ATOM 0 HB3 SER A 72 -5.128 -12.813 0.798 1.00 1.30 H new ATOM 0 HG SER A 72 -6.740 -13.005 -0.966 1.00 2.02 H new ATOM 820 N GLU A 73 -8.813 -12.803 2.548 1.00 1.13 N ATOM 821 CA GLU A 73 -10.180 -12.327 2.657 1.00 1.31 C ATOM 822 C GLU A 73 -10.285 -10.944 2.036 1.00 1.26 C ATOM 823 O GLU A 73 -11.187 -10.165 2.340 1.00 1.87 O ATOM 824 CB GLU A 73 -10.624 -12.308 4.117 1.00 1.67 C ATOM 825 CG GLU A 73 -10.874 -13.697 4.675 1.00 1.87 C ATOM 826 CD GLU A 73 -11.932 -14.446 3.892 1.00 2.12 C ATOM 827 OE1 GLU A 73 -13.115 -14.062 3.974 1.00 2.64 O ATOM 828 OE2 GLU A 73 -11.584 -15.410 3.177 1.00 2.46 O ATOM 0 H GLU A 73 -8.207 -12.520 3.318 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.843 -13.004 2.118 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -9.861 -11.812 4.717 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -11.535 -11.716 4.207 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -9.944 -14.265 4.661 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.184 -13.618 5.717 1.00 1.87 H new ATOM 835 N PHE A 74 -9.317 -10.654 1.184 1.00 1.04 N ATOM 836 CA PHE A 74 -9.292 -9.430 0.407 1.00 1.02 C ATOM 837 C PHE A 74 -9.563 -9.746 -1.052 1.00 1.08 C ATOM 838 O PHE A 74 -10.631 -9.422 -1.578 1.00 1.45 O ATOM 839 CB PHE A 74 -7.929 -8.737 0.523 1.00 0.94 C ATOM 840 CG PHE A 74 -7.700 -8.002 1.813 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.479 -8.247 2.931 1.00 1.61 C ATOM 842 CD2 PHE A 74 -6.693 -7.058 1.899 1.00 1.18 C ATOM 843 CE1 PHE A 74 -8.257 -7.564 4.108 1.00 1.70 C ATOM 844 CE2 PHE A 74 -6.467 -6.372 3.073 1.00 1.25 C ATOM 845 CZ PHE A 74 -7.250 -6.624 4.179 1.00 1.19 C ATOM 0 H PHE A 74 -8.520 -11.267 1.012 1.00 1.04 H new ATOM 0 HA PHE A 74 -10.062 -8.763 0.796 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -7.146 -9.486 0.405 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.824 -8.033 -0.303 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.269 -8.981 2.881 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.076 -6.856 1.036 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -8.871 -7.765 4.974 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -5.677 -5.638 3.126 1.00 1.25 H new ATOM 0 HZ PHE A 74 -7.075 -6.087 5.099 1.00 1.19 H new ATOM 901 N HIS A 78 -6.794 -5.281 -7.776 1.00 0.88 N ATOM 902 CA HIS A 78 -5.856 -4.171 -7.874 1.00 0.85 C ATOM 903 C HIS A 78 -6.155 -3.136 -6.798 1.00 0.69 C ATOM 904 O HIS A 78 -7.279 -2.645 -6.675 1.00 0.68 O ATOM 905 CB HIS A 78 -5.920 -3.515 -9.255 1.00 1.02 C ATOM 906 CG HIS A 78 -5.084 -4.199 -10.293 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.523 -4.442 -11.576 1.00 1.50 N ATOM 908 CD2 HIS A 78 -3.810 -4.662 -10.243 1.00 1.41 C ATOM 909 CE1 HIS A 78 -4.562 -5.024 -12.268 1.00 1.96 C ATOM 910 NE2 HIS A 78 -3.512 -5.169 -11.483 1.00 1.85 N ATOM 0 HA HIS A 78 -4.851 -4.566 -7.728 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -6.957 -3.499 -9.591 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -5.597 -2.478 -9.169 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -3.152 -4.636 -9.387 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -4.625 -5.330 -13.302 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -2.623 -5.590 -11.754 1.00 1.85 H new ATOM 919 N LEU A 79 -5.117 -2.814 -6.033 1.00 0.60 N ATOM 920 CA LEU A 79 -5.221 -1.933 -4.872 1.00 0.46 C ATOM 921 C LEU A 79 -5.734 -0.545 -5.245 1.00 0.44 C ATOM 922 O LEU A 79 -6.562 0.029 -4.542 1.00 0.42 O ATOM 923 CB LEU A 79 -3.849 -1.797 -4.212 1.00 0.44 C ATOM 924 CG LEU A 79 -3.804 -0.914 -2.966 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.507 -1.595 -1.808 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.369 -0.578 -2.600 1.00 0.41 C ATOM 0 H LEU A 79 -4.172 -3.159 -6.201 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.938 -2.381 -4.184 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.494 -2.792 -3.944 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.150 -1.396 -4.946 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.326 0.017 -3.185 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.466 -0.952 -0.929 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.548 -1.781 -2.073 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -4.014 -2.542 -1.589 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.358 0.051 -1.710 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.819 -1.498 -2.400 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.898 -0.046 -3.426 1.00 0.41 H new ATOM 938 N ALA A 80 -5.233 -0.008 -6.348 1.00 0.50 N ATOM 939 CA ALA A 80 -5.564 1.353 -6.751 1.00 0.54 C ATOM 940 C ALA A 80 -7.042 1.496 -7.091 1.00 0.58 C ATOM 941 O ALA A 80 -7.679 2.483 -6.724 1.00 0.61 O ATOM 942 CB ALA A 80 -4.706 1.772 -7.925 1.00 0.63 C ATOM 0 H ALA A 80 -4.596 -0.493 -6.980 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.358 2.011 -5.907 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -4.962 2.790 -8.218 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.655 1.729 -7.641 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.883 1.098 -8.764 1.00 0.63 H new ATOM 948 N ASP A 81 -7.585 0.498 -7.781 1.00 0.64 N ATOM 949 CA ASP A 81 -9.000 0.496 -8.145 1.00 0.70 C ATOM 950 C ASP A 81 -9.860 0.496 -6.888 1.00 0.60 C ATOM 951 O ASP A 81 -10.911 1.140 -6.827 1.00 0.67 O ATOM 952 CB ASP A 81 -9.320 -0.729 -9.005 1.00 0.78 C ATOM 953 CG ASP A 81 -10.758 -0.749 -9.481 1.00 1.52 C ATOM 954 OD1 ASP A 81 -11.056 -0.124 -10.521 1.00 2.30 O ATOM 955 OD2 ASP A 81 -11.598 -1.394 -8.822 1.00 2.06 O ATOM 0 H ASP A 81 -7.067 -0.321 -8.100 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.219 1.395 -8.722 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.655 -0.745 -9.869 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -9.119 -1.634 -8.431 1.00 0.78 H new ATOM 960 N ILE A 82 -9.387 -0.224 -5.883 1.00 0.50 N ATOM 961 CA ILE A 82 -10.045 -0.289 -4.591 1.00 0.45 C ATOM 962 C ILE A 82 -10.054 1.071 -3.905 1.00 0.48 C ATOM 963 O ILE A 82 -11.116 1.600 -3.577 1.00 0.61 O ATOM 964 CB ILE A 82 -9.346 -1.316 -3.682 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.636 -2.730 -4.175 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.772 -1.142 -2.234 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.937 -3.804 -3.380 1.00 0.61 C ATOM 0 H ILE A 82 -8.534 -0.780 -5.942 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.076 -0.598 -4.763 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.270 -1.147 -3.728 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.711 -2.905 -4.138 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.336 -2.810 -5.220 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.263 -1.880 -1.614 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.509 -0.140 -1.895 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.850 -1.281 -2.153 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -9.191 -4.782 -3.788 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.859 -3.655 -3.437 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -9.256 -3.752 -2.339 1.00 0.61 H new ATOM 974 N LEU A 83 -8.868 1.635 -3.710 1.00 0.44 N ATOM 975 CA LEU A 83 -8.724 2.904 -3.004 1.00 0.52 C ATOM 976 C LEU A 83 -9.456 4.025 -3.727 1.00 0.69 C ATOM 977 O LEU A 83 -9.912 4.981 -3.103 1.00 0.83 O ATOM 978 CB LEU A 83 -7.247 3.262 -2.831 1.00 0.47 C ATOM 979 CG LEU A 83 -6.560 2.677 -1.592 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.643 1.164 -1.584 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.111 3.129 -1.535 1.00 0.42 C ATOM 0 H LEU A 83 -7.988 1.232 -4.032 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.174 2.786 -2.018 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -6.705 2.927 -3.716 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.158 4.348 -2.794 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.081 3.046 -0.708 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.147 0.777 -0.694 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.689 0.857 -1.579 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.153 0.768 -2.473 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.633 2.707 -0.651 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.588 2.787 -2.428 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.071 4.217 -1.485 1.00 0.42 H new ATOM 993 N ASN A 84 -9.570 3.897 -5.043 1.00 0.74 N ATOM 994 CA ASN A 84 -10.327 4.851 -5.841 1.00 0.94 C ATOM 995 C ASN A 84 -11.768 4.934 -5.347 1.00 0.97 C ATOM 996 O ASN A 84 -12.300 6.019 -5.128 1.00 1.15 O ATOM 997 CB ASN A 84 -10.313 4.442 -7.316 1.00 1.04 C ATOM 998 CG ASN A 84 -11.079 5.409 -8.200 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.143 6.611 -7.931 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -11.669 4.892 -9.265 1.00 1.79 N ATOM 0 H ASN A 84 -9.147 3.140 -5.580 1.00 0.74 H new ATOM 0 HA ASN A 84 -9.859 5.830 -5.738 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.281 4.380 -7.662 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.743 3.446 -7.416 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -12.199 5.493 -9.896 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -11.594 3.893 -9.455 1.00 1.79 H new ATOM 1007 N SER A 85 -12.380 3.777 -5.145 1.00 0.87 N ATOM 1008 CA SER A 85 -13.769 3.708 -4.717 1.00 0.93 C ATOM 1009 C SER A 85 -13.884 3.834 -3.196 1.00 0.91 C ATOM 1010 O SER A 85 -14.983 3.973 -2.655 1.00 1.01 O ATOM 1011 CB SER A 85 -14.398 2.392 -5.191 1.00 0.98 C ATOM 1012 OG SER A 85 -15.773 2.321 -4.858 1.00 1.50 O ATOM 0 H SER A 85 -11.934 2.869 -5.271 1.00 0.87 H new ATOM 0 HA SER A 85 -14.307 4.543 -5.165 1.00 0.93 H new ATOM 0 HB2 SER A 85 -14.279 2.300 -6.271 1.00 0.98 H new ATOM 0 HB3 SER A 85 -13.870 1.552 -4.739 1.00 0.98 H new ATOM 0 HG SER A 85 -15.938 2.834 -4.040 1.00 1.50 H new ATOM 1018 N ALA A 86 -12.754 3.783 -2.509 1.00 0.88 N ATOM 1019 CA ALA A 86 -12.750 3.795 -1.055 1.00 0.95 C ATOM 1020 C ALA A 86 -12.379 5.165 -0.499 1.00 1.14 C ATOM 1021 O ALA A 86 -11.312 5.345 0.091 1.00 1.71 O ATOM 1022 CB ALA A 86 -11.808 2.731 -0.523 1.00 1.09 C ATOM 0 H ALA A 86 -11.828 3.733 -2.935 1.00 0.88 H new ATOM 0 HA ALA A 86 -13.763 3.572 -0.720 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -11.815 2.751 0.567 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.134 1.750 -0.870 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -10.798 2.926 -0.883 1.00 1.09 H new ATOM 1162 N ALA B 17 -7.888 8.892 -8.494 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.047 7.906 -7.839 1.00 0.81 C ATOM 1164 C ALA B 17 -5.622 8.059 -8.331 1.00 0.69 C ATOM 1165 O ALA B 17 -5.060 7.154 -8.954 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.549 6.494 -8.100 1.00 1.09 C ATOM 0 HA ALA B 17 -7.082 8.074 -6.763 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.899 5.778 -7.597 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.565 6.393 -7.718 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.543 6.298 -9.172 1.00 1.09 H new ATOM 1172 N SER B 18 -5.049 9.219 -8.070 1.00 0.64 N ATOM 1173 CA SER B 18 -3.721 9.531 -8.553 1.00 0.61 C ATOM 1174 C SER B 18 -2.672 8.732 -7.793 1.00 0.50 C ATOM 1175 O SER B 18 -2.875 8.400 -6.623 1.00 0.45 O ATOM 1176 CB SER B 18 -3.453 11.027 -8.416 1.00 0.67 C ATOM 1177 OG SER B 18 -4.567 11.780 -8.867 1.00 1.33 O ATOM 0 H SER B 18 -5.486 9.962 -7.524 1.00 0.64 H new ATOM 0 HA SER B 18 -3.661 9.257 -9.606 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.242 11.270 -7.375 1.00 0.67 H new ATOM 0 HB3 SER B 18 -2.568 11.297 -8.992 1.00 0.67 H new ATOM 0 HG SER B 18 -5.249 11.809 -8.164 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.569 8.418 -8.454 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.516 7.601 -7.860 1.00 0.43 C ATOM 1185 C LYS B 19 -0.116 8.123 -6.477 1.00 0.35 C ATOM 1186 O LYS B 19 -0.012 7.352 -5.519 1.00 0.28 O ATOM 1187 CB LYS B 19 0.696 7.554 -8.795 1.00 0.54 C ATOM 1188 CG LYS B 19 0.439 6.773 -10.076 1.00 0.85 C ATOM 1189 CD LYS B 19 1.648 6.781 -11.003 1.00 1.13 C ATOM 1190 CE LYS B 19 1.856 8.143 -11.651 1.00 1.74 C ATOM 1191 NZ LYS B 19 0.723 8.515 -12.542 1.00 2.10 N ATOM 0 H LYS B 19 -1.377 8.718 -9.410 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.901 6.590 -7.727 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.988 8.572 -9.051 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.537 7.105 -8.266 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.180 5.744 -9.827 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.419 7.201 -10.595 1.00 0.85 H new ATOM 0 HD2 LYS B 19 2.540 6.507 -10.439 1.00 1.13 H new ATOM 0 HD3 LYS B 19 1.516 6.026 -11.778 1.00 1.13 H new ATOM 0 HE2 LYS B 19 1.971 8.900 -10.875 1.00 1.74 H new ATOM 0 HE3 LYS B 19 2.782 8.133 -12.226 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 1.023 9.275 -13.186 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.431 7.685 -13.097 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 -0.078 8.845 -11.966 1.00 2.10 H new ATOM 1205 N GLU B 20 0.066 9.435 -6.378 1.00 0.41 N ATOM 1206 CA GLU B 20 0.471 10.070 -5.128 1.00 0.42 C ATOM 1207 C GLU B 20 -0.588 9.893 -4.035 1.00 0.34 C ATOM 1208 O GLU B 20 -0.252 9.669 -2.873 1.00 0.30 O ATOM 1209 CB GLU B 20 0.753 11.555 -5.367 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.440 12.323 -5.915 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.070 13.708 -6.393 1.00 0.95 C ATOM 1212 OE1 GLU B 20 0.046 14.624 -5.559 1.00 1.58 O ATOM 1213 OE2 GLU B 20 0.107 13.888 -7.616 1.00 1.49 O ATOM 0 H GLU B 20 -0.062 10.084 -7.154 1.00 0.41 H new ATOM 0 HA GLU B 20 1.382 9.583 -4.780 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.068 12.012 -4.429 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.586 11.650 -6.063 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.880 11.763 -6.741 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.203 12.402 -5.141 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.861 9.975 -4.417 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.964 9.810 -3.475 1.00 0.39 C ATOM 1222 C GLU B 21 -2.957 8.394 -2.909 1.00 0.32 C ATOM 1223 O GLU B 21 -3.125 8.177 -1.703 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.303 10.087 -4.172 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.432 11.500 -4.726 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.780 11.761 -5.376 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -5.981 11.348 -6.541 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -6.643 12.389 -4.726 1.00 1.49 O ATOM 0 H GLU B 21 -2.154 10.156 -5.377 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.838 10.522 -2.659 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.431 9.375 -4.987 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -5.113 9.910 -3.464 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.279 12.216 -3.919 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.643 11.671 -5.458 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.737 7.438 -3.798 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.675 6.033 -3.431 1.00 0.29 C ATOM 1237 C ILE B 22 -1.497 5.777 -2.501 1.00 0.24 C ATOM 1238 O ILE B 22 -1.652 5.183 -1.432 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.536 5.151 -4.689 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.668 5.467 -5.675 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.540 3.675 -4.311 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.449 4.897 -7.055 1.00 0.44 C ATOM 0 H ILE B 22 -2.597 7.614 -4.793 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.601 5.777 -2.916 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.584 5.370 -5.172 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.605 5.078 -5.276 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.779 6.549 -5.752 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.441 3.069 -5.211 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.705 3.469 -3.641 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.477 3.430 -3.810 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.290 5.162 -7.696 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.530 5.305 -7.476 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.368 3.812 -6.992 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.323 6.254 -2.906 1.00 0.20 N ATOM 1250 CA ALA B 23 0.899 6.069 -2.135 1.00 0.19 C ATOM 1251 C ALA B 23 0.786 6.696 -0.753 1.00 0.20 C ATOM 1252 O ALA B 23 1.377 6.205 0.209 1.00 0.20 O ATOM 1253 CB ALA B 23 2.082 6.661 -2.876 1.00 0.20 C ATOM 0 H ALA B 23 -0.194 6.776 -3.773 1.00 0.20 H new ATOM 0 HA ALA B 23 1.052 4.997 -2.008 1.00 0.19 H new ATOM 0 HB1 ALA B 23 2.989 6.516 -2.289 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.192 6.166 -3.841 1.00 0.20 H new ATOM 0 HB3 ALA B 23 1.917 7.727 -3.032 1.00 0.20 H new ATOM 1259 N ALA B 24 0.020 7.774 -0.665 1.00 0.22 N ATOM 1260 CA ALA B 24 -0.192 8.468 0.594 1.00 0.25 C ATOM 1261 C ALA B 24 -0.803 7.535 1.637 1.00 0.23 C ATOM 1262 O ALA B 24 -0.387 7.529 2.794 1.00 0.25 O ATOM 1263 CB ALA B 24 -1.075 9.686 0.375 1.00 0.31 C ATOM 0 H ALA B 24 -0.468 8.189 -1.459 1.00 0.22 H new ATOM 0 HA ALA B 24 0.774 8.801 0.973 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -1.228 10.200 1.324 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.593 10.363 -0.330 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -2.038 9.370 -0.026 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.778 6.736 1.224 1.00 0.23 N ATOM 1270 CA LEU B 25 -2.383 5.766 2.133 1.00 0.23 C ATOM 1271 C LEU B 25 -1.471 4.560 2.334 1.00 0.22 C ATOM 1272 O LEU B 25 -1.494 3.920 3.386 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.752 5.310 1.626 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.870 6.348 1.736 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -6.172 5.777 1.203 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -5.041 6.803 3.180 1.00 0.43 C ATOM 0 H LEU B 25 -2.164 6.737 0.280 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.520 6.262 3.094 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.654 5.015 0.581 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -4.049 4.421 2.182 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.596 7.215 1.134 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.959 6.526 1.287 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -6.046 5.499 0.157 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -6.447 4.895 1.782 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.841 7.541 3.237 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.293 5.946 3.804 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -4.111 7.248 3.534 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.661 4.262 1.327 1.00 0.20 N ATOM 1289 CA ILE B 26 0.268 3.143 1.399 1.00 0.21 C ATOM 1290 C ILE B 26 1.322 3.375 2.483 1.00 0.20 C ATOM 1291 O ILE B 26 1.528 2.525 3.353 1.00 0.22 O ATOM 1292 CB ILE B 26 0.957 2.886 0.042 1.00 0.22 C ATOM 1293 CG1 ILE B 26 -0.084 2.513 -1.021 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.003 1.788 0.172 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.509 2.227 -2.383 1.00 0.27 C ATOM 0 H ILE B 26 -0.629 4.781 0.449 1.00 0.20 H new ATOM 0 HA ILE B 26 -0.315 2.259 1.657 1.00 0.21 H new ATOM 0 HB ILE B 26 1.459 3.802 -0.270 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.635 1.635 -0.684 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.804 3.326 -1.112 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.478 1.621 -0.795 1.00 0.24 H new ATOM 0 HG22 ILE B 26 2.757 2.088 0.899 1.00 0.24 H new ATOM 0 HG23 ILE B 26 1.524 0.867 0.505 1.00 0.24 H new ATOM 0 HD11 ILE B 26 -0.288 1.971 -3.081 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.036 3.110 -2.743 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.207 1.393 -2.308 1.00 0.27 H new ATOM 1302 N VAL B 27 1.974 4.535 2.443 1.00 0.18 N ATOM 1303 CA VAL B 27 2.986 4.869 3.442 1.00 0.20 C ATOM 1304 C VAL B 27 2.345 5.060 4.814 1.00 0.22 C ATOM 1305 O VAL B 27 2.983 4.837 5.846 1.00 0.23 O ATOM 1306 CB VAL B 27 3.794 6.134 3.061 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.549 5.912 1.762 1.00 0.21 C ATOM 1308 CG2 VAL B 27 2.893 7.356 2.952 1.00 0.21 C ATOM 0 H VAL B 27 1.821 5.254 1.736 1.00 0.18 H new ATOM 0 HA VAL B 27 3.681 4.030 3.479 1.00 0.20 H new ATOM 0 HB VAL B 27 4.515 6.321 3.857 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.111 6.811 1.510 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.237 5.075 1.880 1.00 0.21 H new ATOM 0 HG13 VAL B 27 3.841 5.690 0.963 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.491 8.226 2.683 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.138 7.184 2.185 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.404 7.534 3.910 1.00 0.21 H new ATOM 1312 N ASN B 28 1.072 5.450 4.813 1.00 0.25 N ATOM 1313 CA ASN B 28 0.306 5.600 6.046 1.00 0.32 C ATOM 1314 C ASN B 28 0.239 4.277 6.798 1.00 0.27 C ATOM 1315 O ASN B 28 0.440 4.230 8.012 1.00 0.28 O ATOM 1316 CB ASN B 28 -1.109 6.102 5.735 1.00 0.44 C ATOM 1317 CG ASN B 28 -2.023 6.076 6.947 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.715 5.086 7.197 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -2.031 7.158 7.708 1.00 0.86 N ATOM 0 H ASN B 28 0.548 5.669 3.966 1.00 0.25 H new ATOM 0 HA ASN B 28 0.809 6.333 6.677 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -1.052 7.120 5.351 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.542 5.487 4.946 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.625 7.194 8.537 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -1.443 7.956 7.466 1.00 0.86 H new ATOM 1326 N TYR B 29 -0.022 3.198 6.067 1.00 0.25 N ATOM 1327 CA TYR B 29 -0.107 1.876 6.669 1.00 0.24 C ATOM 1328 C TYR B 29 1.223 1.478 7.292 1.00 0.18 C ATOM 1329 O TYR B 29 1.271 1.067 8.449 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.535 0.828 5.641 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.565 -0.577 6.200 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.361 -0.892 7.295 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.209 -1.586 5.641 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.381 -2.170 7.818 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.188 -2.868 6.155 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.607 -3.154 7.244 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.621 -4.427 7.764 1.00 0.49 O ATOM 0 H TYR B 29 -0.178 3.215 5.059 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.863 1.920 7.453 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.525 1.083 5.262 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.149 0.860 4.793 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.974 -0.125 7.744 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.837 -1.365 4.791 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.001 -2.397 8.673 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.792 -3.643 5.706 1.00 1.25 H new ATOM 0 HH TYR B 29 0.293 -4.697 7.992 1.00 0.49 H new ATOM 1347 N PHE B 30 2.300 1.619 6.528 1.00 0.16 N ATOM 1348 CA PHE B 30 3.628 1.251 7.007 1.00 0.16 C ATOM 1349 C PHE B 30 3.990 2.031 8.266 1.00 0.18 C ATOM 1350 O PHE B 30 4.537 1.474 9.218 1.00 0.21 O ATOM 1351 CB PHE B 30 4.684 1.489 5.925 1.00 0.19 C ATOM 1352 CG PHE B 30 4.546 0.589 4.729 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.422 -0.783 4.888 1.00 1.17 C ATOM 1354 CD2 PHE B 30 4.554 1.113 3.447 1.00 1.20 C ATOM 1355 CE1 PHE B 30 4.308 -1.613 3.790 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.437 0.286 2.346 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.316 -1.078 2.518 1.00 0.25 C ATOM 0 H PHE B 30 2.280 1.985 5.576 1.00 0.16 H new ATOM 0 HA PHE B 30 3.608 0.188 7.249 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.625 2.526 5.595 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.674 1.349 6.360 1.00 0.19 H new ATOM 0 HD1 PHE B 30 4.414 -1.207 5.881 1.00 1.17 H new ATOM 0 HD2 PHE B 30 4.653 2.179 3.306 1.00 1.20 H new ATOM 0 HE1 PHE B 30 4.213 -2.680 3.927 1.00 1.16 H new ATOM 0 HE2 PHE B 30 4.440 0.707 1.351 1.00 1.22 H new ATOM 0 HZ PHE B 30 4.228 -1.726 1.658 1.00 0.25 H new ATOM 1367 N SER B 31 3.655 3.314 8.273 1.00 0.21 N ATOM 1368 CA SER B 31 3.939 4.170 9.412 1.00 0.26 C ATOM 1369 C SER B 31 3.081 3.766 10.613 1.00 0.25 C ATOM 1370 O SER B 31 3.462 3.985 11.761 1.00 0.27 O ATOM 1371 CB SER B 31 3.687 5.635 9.040 1.00 0.35 C ATOM 1372 OG SER B 31 4.286 6.514 9.979 1.00 1.15 O ATOM 0 H SER B 31 3.185 3.784 7.499 1.00 0.21 H new ATOM 0 HA SER B 31 4.987 4.053 9.687 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.086 5.834 8.046 1.00 0.35 H new ATOM 0 HB3 SER B 31 2.614 5.822 8.996 1.00 0.35 H new ATOM 0 HG SER B 31 4.111 7.442 9.716 1.00 1.15 H new ATOM 1378 N SER B 32 1.936 3.155 10.343 1.00 0.27 N ATOM 1379 CA SER B 32 1.031 2.725 11.396 1.00 0.30 C ATOM 1380 C SER B 32 1.520 1.423 12.034 1.00 0.28 C ATOM 1381 O SER B 32 1.296 1.178 13.226 1.00 0.36 O ATOM 1382 CB SER B 32 -0.381 2.547 10.832 1.00 0.40 C ATOM 1383 OG SER B 32 -1.318 2.284 11.861 1.00 0.99 O ATOM 0 H SER B 32 1.612 2.946 9.399 1.00 0.27 H new ATOM 0 HA SER B 32 1.008 3.493 12.169 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.675 3.447 10.291 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.387 1.727 10.114 1.00 0.40 H new ATOM 0 HG SER B 32 -2.211 2.177 11.471 1.00 0.99 H new ATOM 1389 N ILE B 33 2.200 0.591 11.247 1.00 0.24 N ATOM 1390 CA ILE B 33 2.706 -0.680 11.750 1.00 0.27 C ATOM 1391 C ILE B 33 3.821 -0.439 12.760 1.00 0.26 C ATOM 1392 O ILE B 33 3.828 -1.024 13.846 1.00 0.32 O ATOM 1393 CB ILE B 33 3.261 -1.587 10.629 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.334 -1.602 9.417 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.440 -3.003 11.155 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.906 -2.363 8.239 1.00 0.34 C ATOM 0 H ILE B 33 2.411 0.774 10.266 1.00 0.24 H new ATOM 0 HA ILE B 33 1.859 -1.185 12.214 1.00 0.27 H new ATOM 0 HB ILE B 33 4.224 -1.186 10.315 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.381 -2.048 9.702 1.00 0.30 H new ATOM 0 HG13 ILE B 33 2.127 -0.576 9.113 1.00 0.30 H new ATOM 0 HG21 ILE B 33 3.832 -3.639 10.361 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.139 -2.995 11.991 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.478 -3.391 11.490 1.00 0.44 H new ATOM 0 HD11 ILE B 33 2.199 -2.336 7.410 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.845 -1.903 7.930 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.087 -3.398 8.528 1.00 0.34 H new ATOM 1403 N VAL B 34 4.755 0.431 12.395 1.00 0.25 N ATOM 1404 CA VAL B 34 5.885 0.753 13.260 1.00 0.31 C ATOM 1405 C VAL B 34 5.433 1.580 14.461 1.00 0.37 C ATOM 1406 O VAL B 34 6.066 1.556 15.514 1.00 0.47 O ATOM 1407 CB VAL B 34 6.998 1.510 12.497 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.579 0.643 11.392 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.478 2.820 11.925 1.00 0.33 C ATOM 0 H VAL B 34 4.753 0.927 11.504 1.00 0.25 H new ATOM 0 HA VAL B 34 6.296 -0.194 13.610 1.00 0.31 H new ATOM 0 HB VAL B 34 7.790 1.742 13.209 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.360 1.195 10.869 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.003 -0.263 11.825 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.791 0.374 10.688 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.282 3.330 11.394 1.00 0.33 H new ATOM 0 HG22 VAL B 34 5.660 2.616 11.234 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.119 3.454 12.736 1.00 0.33 H new ATOM 1413 N GLU B 35 4.320 2.290 14.297 1.00 0.35 N ATOM 1414 CA GLU B 35 3.761 3.117 15.361 1.00 0.46 C ATOM 1415 C GLU B 35 3.461 2.278 16.602 1.00 0.51 C ATOM 1416 O GLU B 35 3.878 2.616 17.711 1.00 0.62 O ATOM 1417 CB GLU B 35 2.488 3.812 14.868 1.00 0.51 C ATOM 1418 CG GLU B 35 1.783 4.644 15.926 1.00 0.70 C ATOM 1419 CD GLU B 35 0.587 5.391 15.375 1.00 1.49 C ATOM 1420 OE1 GLU B 35 -0.505 4.787 15.262 1.00 2.19 O ATOM 1421 OE2 GLU B 35 0.728 6.589 15.053 1.00 2.22 O ATOM 0 H GLU B 35 3.784 2.308 13.429 1.00 0.35 H new ATOM 0 HA GLU B 35 4.497 3.873 15.634 1.00 0.46 H new ATOM 0 HB2 GLU B 35 2.742 4.455 14.025 1.00 0.51 H new ATOM 0 HB3 GLU B 35 1.796 3.057 14.495 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.458 3.994 16.738 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.488 5.358 16.352 1.00 0.70 H new ATOM 1428 N LYS B 36 2.755 1.175 16.408 1.00 0.47 N ATOM 1429 CA LYS B 36 2.389 0.305 17.520 1.00 0.55 C ATOM 1430 C LYS B 36 3.325 -0.897 17.626 1.00 0.51 C ATOM 1431 O LYS B 36 3.119 -1.792 18.449 1.00 0.61 O ATOM 1432 CB LYS B 36 0.937 -0.153 17.385 1.00 0.67 C ATOM 1433 CG LYS B 36 0.555 -0.562 15.972 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.886 -1.037 15.903 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.342 -1.235 14.465 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.347 0.040 13.702 1.00 2.08 N ATOM 0 H LYS B 36 2.424 0.860 15.496 1.00 0.47 H new ATOM 0 HA LYS B 36 2.490 0.882 18.439 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.767 -0.995 18.056 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.279 0.653 17.711 1.00 0.67 H new ATOM 0 HG2 LYS B 36 0.694 0.283 15.297 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.218 -1.356 15.630 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.987 -1.974 16.450 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.533 -0.310 16.394 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.684 -1.950 13.971 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -2.343 -1.665 14.458 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.879 -0.087 12.817 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -1.796 0.784 14.273 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -0.369 0.316 13.481 1.00 2.08 H new ATOM 1450 N LYS B 37 4.361 -0.884 16.784 1.00 0.48 N ATOM 1451 CA LYS B 37 5.380 -1.932 16.748 1.00 0.55 C ATOM 1452 C LYS B 37 4.747 -3.306 16.523 1.00 0.59 C ATOM 1453 O LYS B 37 4.890 -4.220 17.331 1.00 0.76 O ATOM 1454 CB LYS B 37 6.223 -1.904 18.031 1.00 0.72 C ATOM 1455 CG LYS B 37 7.470 -2.774 17.977 1.00 1.19 C ATOM 1456 CD LYS B 37 8.373 -2.520 19.177 1.00 1.42 C ATOM 1457 CE LYS B 37 9.576 -3.452 19.188 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.185 -4.870 19.411 1.00 2.60 N ATOM 0 H LYS B 37 4.516 -0.140 16.104 1.00 0.48 H new ATOM 0 HA LYS B 37 6.044 -1.739 15.905 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.520 -0.875 18.235 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.603 -2.228 18.867 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.182 -3.825 17.952 1.00 1.19 H new ATOM 0 HG3 LYS B 37 8.018 -2.571 17.057 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.715 -1.485 19.161 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.802 -2.653 20.096 1.00 1.42 H new ATOM 0 HE2 LYS B 37 10.107 -3.368 18.240 1.00 1.99 H new ATOM 0 HE3 LYS B 37 10.268 -3.140 19.970 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.033 -5.436 19.613 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 8.530 -4.927 20.217 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 8.717 -5.239 18.559 1.00 2.60 H new ATOM 1472 N GLU B 38 4.043 -3.435 15.408 1.00 0.54 N ATOM 1473 CA GLU B 38 3.419 -4.696 15.029 1.00 0.69 C ATOM 1474 C GLU B 38 4.276 -5.390 13.990 1.00 0.69 C ATOM 1475 O GLU B 38 3.950 -6.468 13.495 1.00 1.03 O ATOM 1476 CB GLU B 38 2.017 -4.450 14.474 1.00 0.79 C ATOM 1477 CG GLU B 38 1.001 -4.090 15.538 1.00 1.35 C ATOM 1478 CD GLU B 38 0.732 -5.237 16.482 1.00 1.41 C ATOM 1479 OE1 GLU B 38 0.039 -6.190 16.077 1.00 1.86 O ATOM 1480 OE2 GLU B 38 1.222 -5.201 17.627 1.00 2.11 O ATOM 0 H GLU B 38 3.888 -2.676 14.745 1.00 0.54 H new ATOM 0 HA GLU B 38 3.334 -5.331 15.911 1.00 0.69 H new ATOM 0 HB2 GLU B 38 2.062 -3.647 13.739 1.00 0.79 H new ATOM 0 HB3 GLU B 38 1.680 -5.344 13.949 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.361 -3.232 16.105 1.00 1.35 H new ATOM 0 HG3 GLU B 38 0.069 -3.789 15.060 1.00 1.35 H new ATOM 1487 N ILE B 39 5.371 -4.737 13.664 1.00 0.42 N ATOM 1488 CA ILE B 39 6.319 -5.242 12.691 1.00 0.43 C ATOM 1489 C ILE B 39 7.611 -5.644 13.392 1.00 0.48 C ATOM 1490 O ILE B 39 7.912 -5.145 14.478 1.00 0.52 O ATOM 1491 CB ILE B 39 6.611 -4.170 11.620 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.536 -4.715 10.535 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.209 -2.924 12.260 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.782 -3.733 9.419 1.00 0.47 C ATOM 0 H ILE B 39 5.631 -3.837 14.068 1.00 0.42 H new ATOM 0 HA ILE B 39 5.890 -6.116 12.201 1.00 0.43 H new ATOM 0 HB ILE B 39 5.666 -3.897 11.149 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.490 -4.991 10.984 1.00 0.46 H new ATOM 0 HG13 ILE B 39 7.103 -5.626 10.121 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.408 -2.179 11.490 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.507 -2.515 12.987 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.141 -3.184 12.762 1.00 0.36 H new ATOM 0 HD11 ILE B 39 8.447 -4.181 8.680 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.835 -3.475 8.946 1.00 0.47 H new ATOM 0 HD13 ILE B 39 8.243 -2.831 9.823 1.00 0.47 H new ATOM 1501 N SER B 40 8.356 -6.551 12.780 1.00 0.55 N ATOM 1502 CA SER B 40 9.621 -6.994 13.328 1.00 0.62 C ATOM 1503 C SER B 40 10.623 -5.843 13.371 1.00 0.53 C ATOM 1504 O SER B 40 10.589 -4.963 12.508 1.00 0.48 O ATOM 1505 CB SER B 40 10.169 -8.153 12.494 1.00 0.77 C ATOM 1506 OG SER B 40 10.203 -7.816 11.116 1.00 1.82 O ATOM 0 H SER B 40 8.101 -6.995 11.898 1.00 0.55 H new ATOM 0 HA SER B 40 9.460 -7.339 14.350 1.00 0.62 H new ATOM 0 HB2 SER B 40 11.172 -8.408 12.835 1.00 0.77 H new ATOM 0 HB3 SER B 40 9.548 -9.037 12.641 1.00 0.77 H new ATOM 0 HG SER B 40 10.558 -8.572 10.603 1.00 1.82 H new ATOM 1512 N GLU B 41 11.489 -5.838 14.375 1.00 0.59 N ATOM 1513 CA GLU B 41 12.490 -4.780 14.524 1.00 0.60 C ATOM 1514 C GLU B 41 13.285 -4.581 13.234 1.00 0.49 C ATOM 1515 O GLU B 41 13.454 -3.452 12.758 1.00 0.46 O ATOM 1516 CB GLU B 41 13.428 -5.111 15.688 1.00 0.78 C ATOM 1517 CG GLU B 41 13.924 -6.548 15.687 1.00 1.08 C ATOM 1518 CD GLU B 41 14.771 -6.876 16.894 1.00 1.44 C ATOM 1519 OE1 GLU B 41 14.207 -7.285 17.931 1.00 1.99 O ATOM 1520 OE2 GLU B 41 16.004 -6.720 16.814 1.00 2.19 O ATOM 0 H GLU B 41 11.522 -6.554 15.101 1.00 0.59 H new ATOM 0 HA GLU B 41 11.971 -3.846 14.738 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.286 -4.440 15.653 1.00 0.78 H new ATOM 0 HB3 GLU B 41 12.910 -4.916 16.627 1.00 0.78 H new ATOM 0 HG2 GLU B 41 13.069 -7.223 15.655 1.00 1.08 H new ATOM 0 HG3 GLU B 41 14.505 -6.726 14.782 1.00 1.08 H new ATOM 1527 N ASP B 42 13.751 -5.687 12.667 1.00 0.52 N ATOM 1528 CA ASP B 42 14.486 -5.666 11.405 1.00 0.51 C ATOM 1529 C ASP B 42 13.629 -5.080 10.292 1.00 0.43 C ATOM 1530 O ASP B 42 14.062 -4.179 9.572 1.00 0.47 O ATOM 1531 CB ASP B 42 14.926 -7.079 11.013 1.00 0.61 C ATOM 1532 CG ASP B 42 15.900 -7.692 11.996 1.00 1.49 C ATOM 1533 OD1 ASP B 42 15.445 -8.348 12.957 1.00 2.20 O ATOM 1534 OD2 ASP B 42 17.123 -7.543 11.802 1.00 2.29 O ATOM 0 H ASP B 42 13.632 -6.619 13.065 1.00 0.52 H new ATOM 0 HA ASP B 42 15.368 -5.041 11.545 1.00 0.51 H new ATOM 0 HB2 ASP B 42 14.047 -7.718 10.935 1.00 0.61 H new ATOM 0 HB3 ASP B 42 15.386 -7.049 10.025 1.00 0.61 H new ATOM 1539 N GLY B 43 12.404 -5.583 10.174 1.00 0.39 N ATOM 1540 CA GLY B 43 11.508 -5.143 9.122 1.00 0.37 C ATOM 1541 C GLY B 43 11.189 -3.663 9.204 1.00 0.34 C ATOM 1542 O GLY B 43 11.009 -3.007 8.178 1.00 0.34 O ATOM 0 H GLY B 43 12.014 -6.293 10.794 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.958 -5.360 8.153 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.581 -5.714 9.178 1.00 0.37 H new ATOM 1546 N ALA B 44 11.117 -3.140 10.423 1.00 0.33 N ATOM 1547 CA ALA B 44 10.851 -1.723 10.638 1.00 0.33 C ATOM 1548 C ALA B 44 11.915 -0.865 9.963 1.00 0.32 C ATOM 1549 O ALA B 44 11.600 0.101 9.268 1.00 0.31 O ATOM 1550 CB ALA B 44 10.790 -1.418 12.128 1.00 0.38 C ATOM 0 H ALA B 44 11.240 -3.679 11.280 1.00 0.33 H new ATOM 0 HA ALA B 44 9.886 -1.483 10.192 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.591 -0.356 12.274 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.993 -2.003 12.587 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.742 -1.676 12.591 1.00 0.38 H new ATOM 1556 N ASP B 45 13.173 -1.245 10.148 1.00 0.36 N ATOM 1557 CA ASP B 45 14.283 -0.515 9.549 1.00 0.38 C ATOM 1558 C ASP B 45 14.289 -0.714 8.040 1.00 0.36 C ATOM 1559 O ASP B 45 14.616 0.199 7.280 1.00 0.37 O ATOM 1560 CB ASP B 45 15.612 -0.978 10.143 1.00 0.48 C ATOM 1561 CG ASP B 45 16.788 -0.181 9.616 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.068 0.900 10.168 1.00 1.84 O ATOM 1563 OD2 ASP B 45 17.445 -0.639 8.659 1.00 1.81 O ATOM 0 H ASP B 45 13.450 -2.052 10.707 1.00 0.36 H new ATOM 0 HA ASP B 45 14.156 0.545 9.766 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.573 -0.888 11.229 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.761 -2.034 9.916 1.00 0.48 H new ATOM 1568 N SER B 46 13.907 -1.909 7.612 1.00 0.37 N ATOM 1569 CA SER B 46 13.794 -2.215 6.196 1.00 0.40 C ATOM 1570 C SER B 46 12.735 -1.328 5.539 1.00 0.36 C ATOM 1571 O SER B 46 12.893 -0.891 4.401 1.00 0.38 O ATOM 1572 CB SER B 46 13.449 -3.695 6.009 1.00 0.50 C ATOM 1573 OG SER B 46 14.372 -4.518 6.703 1.00 0.98 O ATOM 0 H SER B 46 13.669 -2.685 8.230 1.00 0.37 H new ATOM 0 HA SER B 46 14.751 -2.014 5.714 1.00 0.40 H new ATOM 0 HB2 SER B 46 12.439 -3.887 6.372 1.00 0.50 H new ATOM 0 HB3 SER B 46 13.459 -3.944 4.948 1.00 0.50 H new ATOM 0 HG SER B 46 14.417 -5.396 6.270 1.00 0.98 H new ATOM 1579 N LEU B 47 11.662 -1.042 6.267 1.00 0.32 N ATOM 1580 CA LEU B 47 10.626 -0.154 5.759 1.00 0.30 C ATOM 1581 C LEU B 47 11.089 1.296 5.771 1.00 0.27 C ATOM 1582 O LEU B 47 10.496 2.140 5.112 1.00 0.28 O ATOM 1583 CB LEU B 47 9.327 -0.286 6.555 1.00 0.30 C ATOM 1584 CG LEU B 47 8.509 -1.548 6.279 1.00 0.35 C ATOM 1585 CD1 LEU B 47 7.179 -1.479 7.011 1.00 0.39 C ATOM 1586 CD2 LEU B 47 8.283 -1.731 4.785 1.00 0.41 C ATOM 0 H LEU B 47 11.488 -1.409 7.203 1.00 0.32 H new ATOM 0 HA LEU B 47 10.431 -0.455 4.730 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.568 -0.256 7.618 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.703 0.583 6.345 1.00 0.30 H new ATOM 0 HG LEU B 47 9.069 -2.408 6.645 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.604 -2.383 6.808 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.358 -1.396 8.083 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.620 -0.609 6.668 1.00 0.39 H new ATOM 0 HD21 LEU B 47 7.699 -2.635 4.613 1.00 0.41 H new ATOM 0 HD22 LEU B 47 7.743 -0.870 4.391 1.00 0.41 H new ATOM 0 HD23 LEU B 47 9.245 -1.819 4.280 1.00 0.41 H new ATOM 1598 N ASN B 48 12.146 1.586 6.516 1.00 0.26 N ATOM 1599 CA ASN B 48 12.689 2.939 6.560 1.00 0.26 C ATOM 1600 C ASN B 48 13.426 3.266 5.268 1.00 0.27 C ATOM 1601 O ASN B 48 13.220 4.329 4.677 1.00 0.32 O ATOM 1602 CB ASN B 48 13.622 3.119 7.760 1.00 0.28 C ATOM 1603 CG ASN B 48 12.884 3.147 9.083 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.384 2.659 10.094 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.701 3.743 9.097 1.00 0.40 N ATOM 0 H ASN B 48 12.643 0.909 7.095 1.00 0.26 H new ATOM 0 HA ASN B 48 11.853 3.629 6.670 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.349 2.307 7.773 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.182 4.047 7.642 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.173 3.808 9.967 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.318 4.137 8.237 1.00 0.40 H new ATOM 1612 N VAL B 49 14.284 2.355 4.820 1.00 0.27 N ATOM 1613 CA VAL B 49 14.979 2.546 3.552 1.00 0.29 C ATOM 1614 C VAL B 49 13.979 2.474 2.399 1.00 0.29 C ATOM 1615 O VAL B 49 14.093 3.201 1.412 1.00 0.32 O ATOM 1616 CB VAL B 49 16.128 1.521 3.349 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.611 0.091 3.327 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.907 1.823 2.077 1.00 0.36 C ATOM 0 H VAL B 49 14.513 1.489 5.308 1.00 0.27 H new ATOM 0 HA VAL B 49 15.440 3.534 3.571 1.00 0.29 H new ATOM 0 HB VAL B 49 16.801 1.618 4.201 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.445 -0.595 3.183 1.00 0.34 H new ATOM 0 HG12 VAL B 49 15.117 -0.132 4.273 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.900 -0.026 2.509 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.706 1.091 1.957 1.00 0.36 H new ATOM 0 HG22 VAL B 49 16.237 1.772 1.219 1.00 0.36 H new ATOM 0 HG23 VAL B 49 17.337 2.822 2.142 1.00 0.36 H new ATOM 1622 N ALA B 50 12.973 1.619 2.561 1.00 0.30 N ATOM 1623 CA ALA B 50 11.907 1.488 1.578 1.00 0.34 C ATOM 1624 C ALA B 50 11.043 2.742 1.543 1.00 0.33 C ATOM 1625 O ALA B 50 10.565 3.144 0.486 1.00 0.37 O ATOM 1626 CB ALA B 50 11.051 0.270 1.892 1.00 0.37 C ATOM 0 H ALA B 50 12.876 1.004 3.369 1.00 0.30 H new ATOM 0 HA ALA B 50 12.362 1.359 0.596 1.00 0.34 H new ATOM 0 HB1 ALA B 50 10.257 0.182 1.150 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.671 -0.626 1.868 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.611 0.380 2.883 1.00 0.37 H new ATOM 1632 N MET B 51 10.861 3.356 2.708 1.00 0.34 N ATOM 1633 CA MET B 51 10.032 4.551 2.847 1.00 0.39 C ATOM 1634 C MET B 51 10.515 5.651 1.918 1.00 0.31 C ATOM 1635 O MET B 51 9.720 6.300 1.231 1.00 0.30 O ATOM 1636 CB MET B 51 10.074 5.049 4.292 1.00 0.52 C ATOM 1637 CG MET B 51 8.990 6.057 4.631 1.00 0.62 C ATOM 1638 SD MET B 51 7.331 5.371 4.461 1.00 0.65 S ATOM 1639 CE MET B 51 7.502 3.844 5.385 1.00 0.41 C ATOM 0 H MET B 51 11.283 3.041 3.582 1.00 0.34 H new ATOM 0 HA MET B 51 9.008 4.291 2.580 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.983 4.194 4.963 1.00 0.52 H new ATOM 0 HB3 MET B 51 11.048 5.501 4.481 1.00 0.52 H new ATOM 0 HG2 MET B 51 9.132 6.408 5.653 1.00 0.62 H new ATOM 0 HG3 MET B 51 9.089 6.925 3.979 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.551 3.596 5.858 1.00 0.41 H new ATOM 0 HE2 MET B 51 7.791 3.040 4.708 1.00 0.41 H new ATOM 0 HE3 MET B 51 8.267 3.966 6.152 1.00 0.41 H new ATOM 1649 N ASP B 52 11.826 5.850 1.896 1.00 0.31 N ATOM 1650 CA ASP B 52 12.428 6.849 1.028 1.00 0.32 C ATOM 1651 C ASP B 52 12.210 6.480 -0.431 1.00 0.28 C ATOM 1652 O ASP B 52 11.918 7.335 -1.260 1.00 0.30 O ATOM 1653 CB ASP B 52 13.923 6.985 1.313 1.00 0.42 C ATOM 1654 CG ASP B 52 14.556 8.108 0.517 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.394 9.281 0.912 1.00 1.84 O ATOM 1656 OD2 ASP B 52 15.219 7.827 -0.504 1.00 1.99 O ATOM 0 H ASP B 52 12.492 5.332 2.470 1.00 0.31 H new ATOM 0 HA ASP B 52 11.948 7.807 1.228 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.074 7.166 2.377 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.424 6.046 1.076 1.00 0.42 H new ATOM 1661 N CYS B 53 12.330 5.191 -0.729 1.00 0.27 N ATOM 1662 CA CYS B 53 12.141 4.688 -2.083 1.00 0.27 C ATOM 1663 C CYS B 53 10.704 4.898 -2.559 1.00 0.28 C ATOM 1664 O CYS B 53 10.478 5.284 -3.704 1.00 0.36 O ATOM 1665 CB CYS B 53 12.505 3.206 -2.145 1.00 0.36 C ATOM 1666 SG CYS B 53 14.229 2.862 -1.729 1.00 1.05 S ATOM 0 H CYS B 53 12.559 4.471 -0.044 1.00 0.27 H new ATOM 0 HA CYS B 53 12.799 5.249 -2.747 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.859 2.654 -1.463 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.302 2.833 -3.149 1.00 0.36 H new ATOM 0 HG CYS B 53 14.396 2.975 -0.445 1.00 1.05 H new ATOM 1672 N ILE B 54 9.740 4.644 -1.679 1.00 0.26 N ATOM 1673 CA ILE B 54 8.333 4.869 -2.001 1.00 0.29 C ATOM 1674 C ILE B 54 8.097 6.349 -2.284 1.00 0.30 C ATOM 1675 O ILE B 54 7.533 6.717 -3.312 1.00 0.33 O ATOM 1676 CB ILE B 54 7.397 4.418 -0.856 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.660 2.955 -0.486 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.938 4.605 -1.260 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.937 2.502 0.766 1.00 0.33 C ATOM 0 H ILE B 54 9.906 4.283 -0.739 1.00 0.26 H new ATOM 0 HA ILE B 54 8.102 4.272 -2.883 1.00 0.29 H new ATOM 0 HB ILE B 54 7.602 5.037 0.018 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.358 2.319 -1.319 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.732 2.812 -0.348 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.290 4.283 -0.444 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.753 5.657 -1.477 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.727 4.009 -2.148 1.00 0.33 H new ATOM 0 HD11 ILE B 54 7.172 1.456 0.964 1.00 0.33 H new ATOM 0 HD12 ILE B 54 7.256 3.112 1.611 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.862 2.612 0.625 1.00 0.33 H new ATOM 1686 N SER B 55 8.566 7.189 -1.372 1.00 0.30 N ATOM 1687 CA SER B 55 8.427 8.633 -1.508 1.00 0.36 C ATOM 1688 C SER B 55 9.103 9.125 -2.791 1.00 0.38 C ATOM 1689 O SER B 55 8.550 9.948 -3.524 1.00 0.41 O ATOM 1690 CB SER B 55 9.033 9.319 -0.284 1.00 0.40 C ATOM 1691 OG SER B 55 8.470 8.808 0.915 1.00 0.80 O ATOM 0 H SER B 55 9.049 6.893 -0.524 1.00 0.30 H new ATOM 0 HA SER B 55 7.368 8.884 -1.572 1.00 0.36 H new ATOM 0 HB2 SER B 55 10.113 9.169 -0.276 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.861 10.394 -0.342 1.00 0.40 H new ATOM 0 HG SER B 55 8.886 7.947 1.131 1.00 0.80 H new ATOM 1697 N GLU B 56 10.288 8.589 -3.061 1.00 0.39 N ATOM 1698 CA GLU B 56 11.070 8.938 -4.245 1.00 0.48 C ATOM 1699 C GLU B 56 10.346 8.527 -5.525 1.00 0.42 C ATOM 1700 O GLU B 56 10.345 9.261 -6.515 1.00 0.45 O ATOM 1701 CB GLU B 56 12.435 8.247 -4.162 1.00 0.59 C ATOM 1702 CG GLU B 56 13.365 8.540 -5.324 1.00 0.82 C ATOM 1703 CD GLU B 56 14.743 7.947 -5.111 1.00 1.81 C ATOM 1704 OE1 GLU B 56 15.602 8.635 -4.523 1.00 2.38 O ATOM 1705 OE2 GLU B 56 14.975 6.789 -5.517 1.00 2.66 O ATOM 0 H GLU B 56 10.737 7.896 -2.462 1.00 0.39 H new ATOM 0 HA GLU B 56 11.204 10.019 -4.275 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.925 8.550 -3.237 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.279 7.170 -4.102 1.00 0.59 H new ATOM 0 HG2 GLU B 56 12.936 8.139 -6.242 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.451 9.618 -5.457 1.00 0.82 H new ATOM 1712 N ALA B 57 9.722 7.358 -5.486 1.00 0.38 N ATOM 1713 CA ALA B 57 9.029 6.802 -6.642 1.00 0.39 C ATOM 1714 C ALA B 57 7.885 7.697 -7.106 1.00 0.33 C ATOM 1715 O ALA B 57 7.603 7.791 -8.303 1.00 0.38 O ATOM 1716 CB ALA B 57 8.501 5.416 -6.307 1.00 0.41 C ATOM 0 H ALA B 57 9.681 6.769 -4.654 1.00 0.38 H new ATOM 0 HA ALA B 57 9.747 6.737 -7.460 1.00 0.39 H new ATOM 0 HB1 ALA B 57 7.984 5.004 -7.174 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.333 4.765 -6.038 1.00 0.41 H new ATOM 0 HB3 ALA B 57 7.807 5.484 -5.469 1.00 0.41 H new ATOM 1722 N PHE B 58 7.224 8.353 -6.165 1.00 0.28 N ATOM 1723 CA PHE B 58 6.071 9.181 -6.492 1.00 0.27 C ATOM 1724 C PHE B 58 6.429 10.666 -6.485 1.00 0.30 C ATOM 1725 O PHE B 58 5.684 11.494 -7.011 1.00 0.38 O ATOM 1726 CB PHE B 58 4.925 8.899 -5.522 1.00 0.27 C ATOM 1727 CG PHE B 58 4.411 7.487 -5.596 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.055 6.463 -4.919 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.285 7.183 -6.341 1.00 1.24 C ATOM 1730 CE1 PHE B 58 4.587 5.166 -4.984 1.00 1.22 C ATOM 1731 CE2 PHE B 58 2.811 5.886 -6.409 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.464 4.877 -5.730 1.00 0.29 C ATOM 0 H PHE B 58 7.463 8.329 -5.174 1.00 0.28 H new ATOM 0 HA PHE B 58 5.749 8.925 -7.501 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.262 9.102 -4.505 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.106 9.587 -5.730 1.00 0.27 H new ATOM 0 HD1 PHE B 58 5.935 6.683 -4.333 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.771 7.968 -6.875 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.100 4.379 -4.451 1.00 1.22 H new ATOM 0 HE2 PHE B 58 1.930 5.662 -6.993 1.00 1.21 H new ATOM 0 HZ PHE B 58 3.096 3.863 -5.783 1.00 0.29 H new ATOM 1742 N GLY B 59 7.565 10.998 -5.889 1.00 0.33 N ATOM 1743 CA GLY B 59 8.060 12.360 -5.934 1.00 0.38 C ATOM 1744 C GLY B 59 7.545 13.226 -4.799 1.00 0.37 C ATOM 1745 O GLY B 59 7.318 14.421 -4.981 1.00 0.42 O ATOM 0 H GLY B 59 8.155 10.346 -5.373 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.149 12.344 -5.903 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.774 12.811 -6.884 1.00 0.38 H new ATOM 1749 N PHE B 60 7.363 12.637 -3.625 1.00 0.35 N ATOM 1750 CA PHE B 60 6.930 13.397 -2.459 1.00 0.39 C ATOM 1751 C PHE B 60 7.802 13.057 -1.259 1.00 0.39 C ATOM 1752 O PHE B 60 8.643 12.162 -1.332 1.00 0.42 O ATOM 1753 CB PHE B 60 5.446 13.140 -2.140 1.00 0.40 C ATOM 1754 CG PHE B 60 5.111 11.734 -1.709 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.281 11.334 -0.391 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.605 10.819 -2.618 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.959 10.053 0.010 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.278 9.535 -2.220 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.457 9.151 -0.907 1.00 0.33 C ATOM 0 H PHE B 60 7.507 11.642 -3.454 1.00 0.35 H new ATOM 0 HA PHE B 60 7.039 14.457 -2.687 1.00 0.39 H new ATOM 0 HB2 PHE B 60 5.137 13.827 -1.352 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.855 13.382 -3.023 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.671 12.035 0.332 1.00 1.19 H new ATOM 0 HD2 PHE B 60 4.464 11.111 -3.648 1.00 1.21 H new ATOM 0 HE1 PHE B 60 5.099 9.757 1.039 1.00 1.23 H new ATOM 0 HE2 PHE B 60 3.882 8.832 -2.938 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.205 8.147 -0.597 1.00 0.33 H new ATOM 1769 N GLU B 61 7.615 13.786 -0.171 1.00 0.47 N ATOM 1770 CA GLU B 61 8.352 13.527 1.056 1.00 0.55 C ATOM 1771 C GLU B 61 7.419 12.927 2.098 1.00 0.50 C ATOM 1772 O GLU B 61 6.210 13.165 2.047 1.00 0.47 O ATOM 1773 CB GLU B 61 8.989 14.809 1.611 1.00 0.70 C ATOM 1774 CG GLU B 61 9.951 15.509 0.657 1.00 0.80 C ATOM 1775 CD GLU B 61 9.243 16.303 -0.426 1.00 1.48 C ATOM 1776 OE1 GLU B 61 8.647 17.352 -0.110 1.00 2.06 O ATOM 1777 OE2 GLU B 61 9.276 15.887 -1.600 1.00 2.33 O ATOM 0 H GLU B 61 6.958 14.564 -0.112 1.00 0.47 H new ATOM 0 HA GLU B 61 9.153 12.824 0.826 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.195 15.506 1.880 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.523 14.565 2.529 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.596 16.178 1.227 1.00 0.80 H new ATOM 0 HG3 GLU B 61 10.596 14.765 0.190 1.00 0.80 H new ATOM 1784 N ARG B 62 7.958 12.163 3.038 1.00 0.53 N ATOM 1785 CA ARG B 62 7.132 11.515 4.053 1.00 0.53 C ATOM 1786 C ARG B 62 6.340 12.548 4.849 1.00 0.52 C ATOM 1787 O ARG B 62 5.146 12.378 5.079 1.00 0.64 O ATOM 1788 CB ARG B 62 7.987 10.664 4.994 1.00 0.62 C ATOM 1789 CG ARG B 62 7.173 9.905 6.030 1.00 1.40 C ATOM 1790 CD ARG B 62 8.063 9.080 6.943 1.00 1.46 C ATOM 1791 NE ARG B 62 7.290 8.326 7.931 1.00 2.25 N ATOM 1792 CZ ARG B 62 7.818 7.424 8.757 1.00 2.60 C ATOM 1793 NH1 ARG B 62 9.121 7.166 8.718 1.00 2.13 N ATOM 1794 NH2 ARG B 62 7.047 6.781 9.624 1.00 3.67 N ATOM 0 H ARG B 62 8.957 11.976 3.121 1.00 0.53 H new ATOM 0 HA ARG B 62 6.429 10.859 3.540 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.565 9.952 4.404 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.702 11.308 5.506 1.00 0.62 H new ATOM 0 HG2 ARG B 62 6.593 10.610 6.626 1.00 1.40 H new ATOM 0 HG3 ARG B 62 6.461 9.251 5.527 1.00 1.40 H new ATOM 0 HD2 ARG B 62 8.656 8.389 6.343 1.00 1.46 H new ATOM 0 HD3 ARG B 62 8.764 9.738 7.457 1.00 1.46 H new ATOM 0 HE ARG B 62 6.287 8.502 7.991 1.00 2.25 H new ATOM 0 HH11 ARG B 62 9.719 7.659 8.055 1.00 2.13 H new ATOM 0 HH12 ARG B 62 9.523 6.475 9.351 1.00 2.13 H new ATOM 0 HH21 ARG B 62 6.047 6.977 9.660 1.00 3.67 H new ATOM 0 HH22 ARG B 62 7.455 6.091 10.255 1.00 3.67 H new ATOM 1808 N GLU B 63 6.991 13.642 5.223 1.00 0.57 N ATOM 1809 CA GLU B 63 6.340 14.684 6.016 1.00 0.63 C ATOM 1810 C GLU B 63 5.359 15.506 5.179 1.00 0.62 C ATOM 1811 O GLU B 63 4.844 16.529 5.638 1.00 0.74 O ATOM 1812 CB GLU B 63 7.378 15.608 6.654 1.00 0.73 C ATOM 1813 CG GLU B 63 8.317 14.896 7.611 1.00 1.69 C ATOM 1814 CD GLU B 63 7.578 14.055 8.630 1.00 2.52 C ATOM 1815 OE1 GLU B 63 7.026 14.628 9.594 1.00 3.19 O ATOM 1816 OE2 GLU B 63 7.538 12.818 8.465 1.00 3.12 O ATOM 0 H GLU B 63 7.966 13.833 4.992 1.00 0.57 H new ATOM 0 HA GLU B 63 5.776 14.182 6.802 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.965 16.081 5.866 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.863 16.405 7.189 1.00 0.73 H new ATOM 0 HG2 GLU B 63 8.996 14.260 7.043 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.930 15.633 8.129 1.00 1.69 H new ATOM 1823 N ALA B 64 5.098 15.059 3.959 1.00 0.55 N ATOM 1824 CA ALA B 64 4.158 15.741 3.087 1.00 0.59 C ATOM 1825 C ALA B 64 2.914 14.892 2.843 1.00 0.53 C ATOM 1826 O ALA B 64 1.980 15.332 2.172 1.00 0.56 O ATOM 1827 CB ALA B 64 4.824 16.096 1.769 1.00 0.66 C ATOM 0 H ALA B 64 5.525 14.227 3.552 1.00 0.55 H new ATOM 0 HA ALA B 64 3.844 16.660 3.583 1.00 0.59 H new ATOM 0 HB1 ALA B 64 4.108 16.607 1.125 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.675 16.751 1.956 1.00 0.66 H new ATOM 0 HB3 ALA B 64 5.168 15.186 1.278 1.00 0.66 H new ATOM 1833 N VAL B 65 2.892 13.681 3.400 1.00 0.50 N ATOM 1834 CA VAL B 65 1.757 12.779 3.203 1.00 0.46 C ATOM 1835 C VAL B 65 0.486 13.366 3.817 1.00 0.52 C ATOM 1836 O VAL B 65 -0.611 13.178 3.291 1.00 0.53 O ATOM 1837 CB VAL B 65 2.021 11.358 3.773 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.342 11.394 5.255 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.836 10.443 3.525 1.00 0.50 C ATOM 0 H VAL B 65 3.638 13.305 3.985 1.00 0.50 H new ATOM 0 HA VAL B 65 1.621 12.677 2.126 1.00 0.46 H new ATOM 0 HB VAL B 65 2.891 10.963 3.247 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.520 10.380 5.614 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.234 11.999 5.420 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.503 11.829 5.798 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.047 9.455 3.934 1.00 0.50 H new ATOM 0 HG22 VAL B 65 -0.049 10.855 4.010 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.658 10.361 2.453 1.00 0.50 H new ATOM 1843 N SER B 66 0.648 14.102 4.912 1.00 0.62 N ATOM 1844 CA SER B 66 -0.470 14.773 5.560 1.00 0.74 C ATOM 1845 C SER B 66 -1.156 15.724 4.580 1.00 0.75 C ATOM 1846 O SER B 66 -2.384 15.742 4.471 1.00 0.83 O ATOM 1847 CB SER B 66 0.024 15.541 6.791 1.00 0.88 C ATOM 1848 OG SER B 66 -1.039 16.193 7.464 1.00 1.63 O ATOM 0 H SER B 66 1.548 14.248 5.370 1.00 0.62 H new ATOM 0 HA SER B 66 -1.195 14.024 5.880 1.00 0.74 H new ATOM 0 HB2 SER B 66 0.519 14.852 7.475 1.00 0.88 H new ATOM 0 HB3 SER B 66 0.768 16.277 6.486 1.00 0.88 H new ATOM 0 HG SER B 66 -0.688 16.671 8.244 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.348 16.494 3.856 1.00 0.71 N ATOM 1855 CA GLY B 67 -0.875 17.423 2.878 1.00 0.74 C ATOM 1856 C GLY B 67 -1.566 16.716 1.735 1.00 0.69 C ATOM 1857 O GLY B 67 -2.647 17.125 1.310 1.00 0.74 O ATOM 0 H GLY B 67 0.669 16.489 3.932 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.579 18.099 3.364 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.063 18.036 2.487 1.00 0.74 H new ATOM 1861 N ILE B 68 -0.947 15.645 1.243 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.524 14.858 0.160 1.00 0.58 C ATOM 1863 C ILE B 68 -2.877 14.292 0.574 1.00 0.62 C ATOM 1864 O ILE B 68 -3.854 14.416 -0.154 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.604 13.691 -0.263 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.781 14.207 -0.654 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.229 12.920 -1.421 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.752 13.105 -1.021 1.00 0.45 C ATOM 0 H ILE B 68 -0.046 15.304 1.578 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.643 15.531 -0.689 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.490 13.018 0.587 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.681 14.889 -1.498 1.00 0.49 H new ATOM 0 HG13 ILE B 68 1.193 14.783 0.174 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.571 12.100 -1.710 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.194 12.519 -1.112 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.369 13.589 -2.270 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.714 13.542 -1.288 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.881 12.435 -0.171 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.361 12.543 -1.869 1.00 0.45 H new ATOM 1875 N LEU B 69 -2.927 13.687 1.757 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.160 13.101 2.270 1.00 0.66 C ATOM 1877 C LEU B 69 -5.236 14.159 2.457 1.00 0.84 C ATOM 1878 O LEU B 69 -6.394 13.937 2.110 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.896 12.364 3.585 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.059 11.090 3.445 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.740 10.497 4.806 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.787 10.073 2.579 1.00 0.45 C ATOM 0 H LEU B 69 -2.125 13.590 2.380 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.522 12.382 1.535 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.389 13.043 4.271 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.852 12.106 4.040 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.118 11.352 2.962 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -2.145 9.593 4.678 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.178 11.221 5.396 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.668 10.251 5.322 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.180 9.172 2.488 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.743 9.822 3.038 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.960 10.495 1.589 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.851 15.317 2.972 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.801 16.397 3.159 1.00 0.93 C ATOM 1896 C GLY B 70 -6.367 16.902 1.844 1.00 0.98 C ATOM 1897 O GLY B 70 -7.513 17.347 1.781 1.00 1.24 O ATOM 0 H GLY B 70 -3.897 15.530 3.264 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.617 16.054 3.795 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.314 17.220 3.682 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.570 16.820 0.789 1.00 0.86 N ATOM 1902 CA LYS B 71 -5.978 17.299 -0.524 1.00 0.97 C ATOM 1903 C LYS B 71 -6.239 16.144 -1.486 1.00 0.98 C ATOM 1904 O LYS B 71 -6.216 16.320 -2.704 1.00 1.25 O ATOM 1905 CB LYS B 71 -4.900 18.215 -1.101 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.776 19.551 -0.384 1.00 1.68 C ATOM 1907 CD LYS B 71 -6.022 20.410 -0.555 1.00 2.11 C ATOM 1908 CE LYS B 71 -6.271 20.759 -2.016 1.00 2.60 C ATOM 1909 NZ LYS B 71 -5.150 21.541 -2.601 1.00 3.15 N ATOM 0 H LYS B 71 -4.631 16.423 0.817 1.00 0.86 H new ATOM 0 HA LYS B 71 -6.908 17.854 -0.403 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -3.940 17.701 -1.059 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.118 18.398 -2.153 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -4.599 19.377 0.677 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -3.909 20.089 -0.768 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -6.887 19.880 -0.155 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -5.914 21.327 0.025 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -6.411 19.842 -2.589 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -7.195 21.332 -2.100 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -5.435 21.916 -3.528 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -4.909 22.330 -1.968 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -4.320 20.925 -2.717 1.00 3.15 H new ATOM 1923 N SER B 72 -6.495 14.968 -0.944 1.00 0.91 N ATOM 1924 CA SER B 72 -6.730 13.797 -1.772 1.00 1.08 C ATOM 1925 C SER B 72 -8.217 13.529 -1.896 1.00 1.03 C ATOM 1926 O SER B 72 -9.012 13.984 -1.071 1.00 1.20 O ATOM 1927 CB SER B 72 -6.034 12.564 -1.183 1.00 1.29 C ATOM 1928 OG SER B 72 -6.602 12.193 0.066 1.00 2.02 O ATOM 0 H SER B 72 -6.546 14.797 0.060 1.00 0.91 H new ATOM 0 HA SER B 72 -6.316 13.995 -2.761 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.113 11.731 -1.882 1.00 1.29 H new ATOM 0 HB3 SER B 72 -4.972 12.771 -1.054 1.00 1.29 H new ATOM 0 HG SER B 72 -6.658 12.980 0.647 1.00 2.02 H new ATOM 1934 N GLU B 73 -8.590 12.800 -2.933 1.00 1.12 N ATOM 1935 CA GLU B 73 -9.956 12.335 -3.091 1.00 1.30 C ATOM 1936 C GLU B 73 -10.095 10.952 -2.479 1.00 1.26 C ATOM 1937 O GLU B 73 -10.994 10.182 -2.818 1.00 1.86 O ATOM 1938 CB GLU B 73 -10.351 12.327 -4.564 1.00 1.67 C ATOM 1939 CG GLU B 73 -10.572 13.721 -5.120 1.00 1.87 C ATOM 1940 CD GLU B 73 -11.655 14.470 -4.370 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.838 14.100 -4.503 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -11.329 15.422 -3.628 1.00 2.46 O ATOM 0 H GLU B 73 -7.960 12.516 -3.683 1.00 1.12 H new ATOM 0 HA GLU B 73 -10.631 13.016 -2.572 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -9.572 11.829 -5.142 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.263 11.742 -4.688 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -9.640 14.284 -5.067 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -10.843 13.652 -6.173 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.163 10.651 -1.591 1.00 1.03 N ATOM 1950 CA PHE B 74 -9.176 9.424 -0.816 1.00 1.02 C ATOM 1951 C PHE B 74 -9.496 9.739 0.634 1.00 1.07 C ATOM 1952 O PHE B 74 -10.586 9.427 1.119 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.817 8.720 -0.887 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.549 7.986 -2.170 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.286 8.241 -3.314 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -6.549 7.033 -2.223 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -8.029 7.558 -4.485 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -6.288 6.347 -3.390 1.00 1.25 C ATOM 1959 CZ PHE B 74 -7.029 6.610 -4.523 1.00 1.19 C ATOM 0 H PHE B 74 -8.369 11.258 -1.386 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.937 8.765 -1.233 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -7.032 9.462 -0.740 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.747 8.013 -0.060 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.071 8.983 -3.290 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -5.965 6.823 -1.339 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -8.611 7.766 -5.371 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -5.504 5.605 -3.417 1.00 1.25 H new ATOM 0 HZ PHE B 74 -6.826 6.074 -5.438 1.00 1.19 H new ATOM 2015 N HIS B 78 -7.003 5.232 7.436 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.078 4.113 7.563 1.00 0.85 C ATOM 2017 C HIS B 78 -6.348 3.086 6.471 1.00 0.69 C ATOM 2018 O HIS B 78 -7.470 2.605 6.308 1.00 0.68 O ATOM 2019 CB HIS B 78 -6.196 3.453 8.939 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.390 4.127 10.009 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.872 4.368 11.275 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -4.113 4.583 10.004 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -4.932 4.938 12.002 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -3.854 5.081 11.255 1.00 1.85 N ATOM 0 HA HIS B 78 -5.064 4.498 7.455 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -7.244 3.445 9.238 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -5.879 2.413 8.860 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -3.427 4.558 9.170 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -5.028 5.238 13.035 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -2.972 5.494 11.558 1.00 1.85 H new ATOM 2033 N LEU B 79 -5.288 2.755 5.743 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.359 1.878 4.579 1.00 0.46 C ATOM 2035 C LEU B 79 -5.896 0.495 4.931 1.00 0.44 C ATOM 2036 O LEU B 79 -6.705 -0.072 4.198 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.965 1.733 3.967 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.884 0.851 2.721 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.540 1.543 1.541 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.439 0.504 2.405 1.00 0.41 C ATOM 0 H LEU B 79 -4.346 3.091 5.945 1.00 0.60 H new ATOM 0 HA LEU B 79 -6.048 2.332 3.867 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.593 2.726 3.713 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.295 1.325 4.724 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.421 -0.077 2.918 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.474 0.903 0.661 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.588 1.738 1.770 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -4.030 2.486 1.343 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.402 -0.124 1.515 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.876 1.420 2.226 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -2.001 -0.033 3.247 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.439 -0.047 6.050 1.00 0.50 N ATOM 2053 CA ALA B 80 -5.794 -1.406 6.439 1.00 0.54 C ATOM 2054 C ALA B 80 -7.286 -1.538 6.723 1.00 0.58 C ATOM 2055 O ALA B 80 -7.916 -2.519 6.328 1.00 0.61 O ATOM 2056 CB ALA B 80 -4.983 -1.833 7.643 1.00 0.63 C ATOM 0 H ALA B 80 -4.822 0.432 6.705 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.561 -2.065 5.603 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.257 -2.850 7.924 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -3.922 -1.798 7.398 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.185 -1.159 8.476 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.845 -0.538 7.396 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.272 -0.526 7.708 1.00 0.70 C ATOM 2064 C ASP B 81 -10.087 -0.517 6.422 1.00 0.60 C ATOM 2065 O ASP B 81 -11.139 -1.155 6.317 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.615 0.701 8.557 1.00 0.78 C ATOM 2067 CG ASP B 81 -11.070 0.730 8.978 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -11.407 0.096 10.001 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -11.884 1.386 8.295 1.00 2.06 O ATOM 0 H ASP B 81 -7.333 0.276 7.737 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.517 -1.425 8.274 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -8.983 0.712 9.445 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -9.386 1.605 7.992 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.572 0.205 5.439 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.184 0.280 4.124 1.00 0.44 C ATOM 2076 C ILE B 82 -10.181 -1.078 3.433 1.00 0.48 C ATOM 2077 O ILE B 82 -11.234 -1.595 3.058 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.445 1.302 3.244 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.740 2.718 3.732 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.822 1.137 1.782 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -9.003 3.788 2.966 1.00 0.61 C ATOM 0 H ILE B 82 -8.718 0.755 5.532 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.217 0.598 4.262 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.373 1.122 3.326 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.812 2.903 3.658 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.476 2.792 4.787 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.285 1.872 1.183 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.557 0.134 1.449 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.895 1.287 1.664 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -9.262 4.767 3.368 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.929 3.629 3.061 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -9.285 3.742 1.914 1.00 0.61 H new ATOM 2088 N LEU B 83 -8.994 -1.654 3.279 1.00 0.44 N ATOM 2089 CA LEU B 83 -8.836 -2.922 2.576 1.00 0.52 C ATOM 2090 C LEU B 83 -9.603 -4.037 3.270 1.00 0.69 C ATOM 2091 O LEU B 83 -10.047 -4.988 2.627 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.357 -3.293 2.455 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.623 -2.711 1.242 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.692 -1.196 1.235 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.176 -3.176 1.234 1.00 0.43 C ATOM 0 H LEU B 83 -8.122 -1.260 3.634 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.249 -2.798 1.575 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -6.844 -2.965 3.359 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.276 -4.379 2.419 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.117 -3.073 0.340 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.163 -0.812 0.363 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.734 -0.879 1.195 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.229 -0.806 2.141 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.664 -2.757 0.368 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -4.681 -2.841 2.146 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.144 -4.264 1.183 1.00 0.43 H new ATOM 2107 N ASN B 84 -9.761 -3.912 4.581 1.00 0.74 N ATOM 2108 CA ASN B 84 -10.555 -4.861 5.350 1.00 0.94 C ATOM 2109 C ASN B 84 -11.977 -4.927 4.806 1.00 0.97 C ATOM 2110 O ASN B 84 -12.511 -6.006 4.562 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.587 -4.457 6.825 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.391 -5.419 7.679 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -11.453 -6.620 7.407 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -12.011 -4.897 8.722 1.00 1.79 N ATOM 0 H ASN B 84 -9.349 -3.161 5.135 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.094 -5.845 5.260 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.567 -4.406 7.205 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.011 -3.457 6.914 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -12.566 -5.493 9.336 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -11.935 -3.898 8.913 1.00 1.79 H new ATOM 2121 N SER B 85 -12.571 -3.763 4.590 1.00 0.87 N ATOM 2122 CA SER B 85 -13.942 -3.686 4.115 1.00 0.93 C ATOM 2123 C SER B 85 -14.006 -3.798 2.592 1.00 0.91 C ATOM 2124 O SER B 85 -15.089 -3.920 2.019 1.00 1.01 O ATOM 2125 CB SER B 85 -14.581 -2.370 4.570 1.00 0.97 C ATOM 2126 OG SER B 85 -15.945 -2.300 4.186 1.00 1.50 O ATOM 0 H SER B 85 -12.123 -2.858 4.737 1.00 0.87 H new ATOM 0 HA SER B 85 -14.496 -4.523 4.541 1.00 0.93 H new ATOM 0 HB2 SER B 85 -14.501 -2.280 5.653 1.00 0.97 H new ATOM 0 HB3 SER B 85 -14.036 -1.530 4.139 1.00 0.97 H new ATOM 0 HG SER B 85 -16.085 -2.834 3.376 1.00 1.50 H new ATOM 2132 N ALA B 86 -12.853 -3.768 1.941 1.00 0.88 N ATOM 2133 CA ALA B 86 -12.800 -3.773 0.487 1.00 0.95 C ATOM 2134 C ALA B 86 -12.422 -5.144 -0.062 1.00 1.14 C ATOM 2135 O ALA B 86 -11.336 -5.332 -0.613 1.00 1.70 O ATOM 2136 CB ALA B 86 -11.830 -2.717 -0.010 1.00 1.09 C ATOM 0 H ALA B 86 -11.941 -3.740 2.397 1.00 0.88 H new ATOM 0 HA ALA B 86 -13.799 -3.538 0.121 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -11.801 -2.733 -1.100 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.157 -1.734 0.330 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -10.834 -2.924 0.382 1.00 1.09 H new