USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1157 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 122 GLN : amide:sc= 0.134 K(o=0.76,f=-7!) USER MOD Set 1.2: A 123 LYS NZ :NH3+ -153:sc= 0.625 (180deg=0) USER MOD Set 2.1: A 62 GLN : amide:sc= 0.913 K(o=2,f=-5!) USER MOD Set 2.2: A 65 LYS NZ :NH3+ 147:sc= 1.07 (180deg=0) USER MOD Set 3.1: A 57 LYS NZ :NH3+ -172:sc= 1.14 (180deg=0.258) USER MOD Set 3.2: A 59 ASN : amide:sc= 1.11 K(o=2.3,f=-7.5!) USER MOD Set 4.1: A 9 THR OG1 : rot 54:sc= 1.18 USER MOD Set 4.2: A 11 ASN : amide:sc= 0.083 X(o=1.3,f=1.1) USER MOD Single : A 1 MET CE :methyl -110:sc= -0.514 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0376 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 137:sc= 0.735 (180deg=-2.91!) USER MOD Single : A 8 ASN : amide:sc= -1.73! C(o=-1.7!,f=-4.1!) USER MOD Single : A 10 ASN : amide:sc= 0.199 X(o=0.2,f=0.057) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc=-9.5e-05 (180deg=-0.0735) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.089) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0437) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.0865 (180deg=-1.25!) USER MOD Single : A 24 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.066) USER MOD Single : A 25 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.13) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.256 USER MOD Single : A 28 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.92) USER MOD Single : A 33 ASN : amide:sc= 0.0767 X(o=0.077,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= 0.316 (180deg=0.152) USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= -0.259 (180deg=-1.78!) USER MOD Single : A 42 MET CE :methyl -123:sc= -0.34 (180deg=-1.65!) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -2.48! (180deg=-3.76!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.0178 (180deg=-0.205) USER MOD Single : A 50 ASN : amide:sc=-0.00118 X(o=-0.0012,f=-0.45) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0.235 (180deg=0.186) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 1.71 (180deg=0.825) USER MOD Single : A 67 MET CE :methyl 153:sc= -2 (180deg=-3.04!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0212 (180deg=-0.255) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 0.332 (180deg=0.263) USER MOD Single : A 85 GLN : amide:sc= -2.36! K(o=-2.4!,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= 0.0234 (180deg=-0.0621) USER MOD Single : A 96 LYS NZ :NH3+ 145:sc= -0.117 (180deg=-0.304) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 102 TYR OH : rot -136:sc= 0.816 USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= 0.0564 (180deg=0.0161) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -176:sc= 0.327 (180deg=0.316) USER MOD Single : A 121 MET CE :methyl -174:sc= -0.982 (180deg=-1.12) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 130 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=-0.33) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 133 HIS : no HD1:sc=-0.00281 X(o=-0.0028,f=0) USER MOD Single : A 134 HIS : no HD1:sc= -0.173 K(o=-0.17,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.911 10.660 13.300 1.00 51.53 N ATOM 2 CA MET A 1 3.521 10.267 12.010 1.00 4.13 C ATOM 3 C MET A 1 3.863 8.778 12.035 1.00 3.40 C ATOM 4 O MET A 1 4.287 8.265 13.068 1.00 65.21 O ATOM 5 CB MET A 1 4.799 11.103 11.717 1.00 4.24 C ATOM 6 CG MET A 1 5.476 10.781 10.375 1.00 61.01 C ATOM 7 SD MET A 1 4.346 10.988 8.983 1.00 40.35 S ATOM 8 CE MET A 1 5.285 10.253 7.647 1.00 3.43 C ATOM 0 H1 MET A 1 3.322 11.561 13.618 1.00 51.53 H new ATOM 0 H2 MET A 1 1.884 10.771 13.179 1.00 51.53 H new ATOM 0 H3 MET A 1 3.098 9.924 14.011 1.00 51.53 H new ATOM 0 HA MET A 1 2.801 10.462 11.215 1.00 4.13 H new ATOM 0 HB2 MET A 1 4.538 12.161 11.733 1.00 4.24 H new ATOM 0 HB3 MET A 1 5.517 10.940 12.521 1.00 4.24 H new ATOM 0 HG2 MET A 1 6.341 11.430 10.240 1.00 61.01 H new ATOM 0 HG3 MET A 1 5.847 9.756 10.392 1.00 61.01 H new ATOM 0 HE1 MET A 1 5.610 11.033 6.959 1.00 3.43 H new ATOM 0 HE2 MET A 1 6.157 9.742 8.054 1.00 3.43 H new ATOM 0 HE3 MET A 1 4.660 9.536 7.114 1.00 3.43 H new ATOM 20 N LYS A 2 3.640 8.100 10.897 1.00 2.42 N ATOM 21 CA LYS A 2 4.050 6.703 10.666 1.00 52.33 C ATOM 22 C LYS A 2 4.089 6.440 9.148 1.00 61.31 C ATOM 23 O LYS A 2 3.606 7.260 8.360 1.00 14.43 O ATOM 24 CB LYS A 2 3.092 5.721 11.401 1.00 32.22 C ATOM 25 CG LYS A 2 1.614 5.791 10.949 1.00 63.13 C ATOM 26 CD LYS A 2 0.617 5.069 11.895 1.00 43.23 C ATOM 27 CE LYS A 2 0.794 3.537 11.974 1.00 72.13 C ATOM 28 NZ LYS A 2 2.020 3.117 12.708 1.00 34.51 N ATOM 0 H LYS A 2 3.161 8.514 10.097 1.00 2.42 H new ATOM 0 HA LYS A 2 5.047 6.535 11.075 1.00 52.33 H new ATOM 0 HB2 LYS A 2 3.454 4.704 11.252 1.00 32.22 H new ATOM 0 HB3 LYS A 2 3.139 5.923 12.471 1.00 32.22 H new ATOM 0 HG2 LYS A 2 1.322 6.838 10.865 1.00 63.13 H new ATOM 0 HG3 LYS A 2 1.531 5.356 9.953 1.00 63.13 H new ATOM 0 HD2 LYS A 2 0.722 5.485 12.897 1.00 43.23 H new ATOM 0 HD3 LYS A 2 -0.399 5.287 11.564 1.00 43.23 H new ATOM 0 HE2 LYS A 2 -0.079 3.103 12.462 1.00 72.13 H new ATOM 0 HE3 LYS A 2 0.828 3.131 10.963 1.00 72.13 H new ATOM 0 HZ1 LYS A 2 1.792 2.321 13.337 1.00 34.51 H new ATOM 0 HZ2 LYS A 2 2.749 2.823 12.027 1.00 34.51 H new ATOM 0 HZ3 LYS A 2 2.376 3.914 13.273 1.00 34.51 H new ATOM 42 N ILE A 3 4.673 5.306 8.744 1.00 51.40 N ATOM 43 CA ILE A 3 4.786 4.917 7.328 1.00 43.34 C ATOM 44 C ILE A 3 3.866 3.724 7.060 1.00 61.32 C ATOM 45 O ILE A 3 3.964 2.702 7.750 1.00 54.12 O ATOM 46 CB ILE A 3 6.261 4.521 6.960 1.00 33.21 C ATOM 47 CG1 ILE A 3 7.233 5.697 7.264 1.00 1.42 C ATOM 48 CG2 ILE A 3 6.372 4.068 5.479 1.00 4.20 C ATOM 49 CD1 ILE A 3 8.702 5.362 7.090 1.00 13.44 C ATOM 0 H ILE A 3 5.082 4.629 9.388 1.00 51.40 H new ATOM 0 HA ILE A 3 4.496 5.770 6.715 1.00 43.34 H new ATOM 0 HB ILE A 3 6.548 3.673 7.581 1.00 33.21 H new ATOM 0 HG12 ILE A 3 6.985 6.534 6.612 1.00 1.42 H new ATOM 0 HG13 ILE A 3 7.069 6.031 8.288 1.00 1.42 H new ATOM 0 HG21 ILE A 3 7.405 3.801 5.257 1.00 4.20 H new ATOM 0 HG22 ILE A 3 5.730 3.203 5.314 1.00 4.20 H new ATOM 0 HG23 ILE A 3 6.059 4.882 4.825 1.00 4.20 H new ATOM 0 HD11 ILE A 3 9.305 6.239 7.323 1.00 13.44 H new ATOM 0 HD12 ILE A 3 8.972 4.547 7.762 1.00 13.44 H new ATOM 0 HD13 ILE A 3 8.886 5.058 6.060 1.00 13.44 H new ATOM 61 N LEU A 4 2.947 3.877 6.098 1.00 44.32 N ATOM 62 CA LEU A 4 2.150 2.764 5.550 1.00 1.03 C ATOM 63 C LEU A 4 2.383 2.687 4.040 1.00 40.53 C ATOM 64 O LEU A 4 2.166 3.668 3.326 1.00 70.40 O ATOM 65 CB LEU A 4 0.621 2.908 5.854 1.00 20.44 C ATOM 66 CG LEU A 4 0.117 2.250 7.182 1.00 60.05 C ATOM 67 CD1 LEU A 4 0.715 2.922 8.430 1.00 74.23 C ATOM 68 CD2 LEU A 4 -1.424 2.227 7.231 1.00 14.12 C ATOM 0 H LEU A 4 2.732 4.779 5.674 1.00 44.32 H new ATOM 0 HA LEU A 4 2.478 1.845 6.036 1.00 1.03 H new ATOM 0 HB2 LEU A 4 0.376 3.970 5.883 1.00 20.44 H new ATOM 0 HB3 LEU A 4 0.064 2.474 5.023 1.00 20.44 H new ATOM 0 HG LEU A 4 0.470 1.219 7.189 1.00 60.05 H new ATOM 0 HD11 LEU A 4 0.335 2.430 9.325 1.00 74.23 H new ATOM 0 HD12 LEU A 4 1.801 2.838 8.403 1.00 74.23 H new ATOM 0 HD13 LEU A 4 0.433 3.975 8.447 1.00 74.23 H new ATOM 0 HD21 LEU A 4 -1.752 1.765 8.163 1.00 14.12 H new ATOM 0 HD22 LEU A 4 -1.805 3.247 7.178 1.00 14.12 H new ATOM 0 HD23 LEU A 4 -1.806 1.652 6.387 1.00 14.12 H new ATOM 80 N ILE A 5 2.862 1.528 3.571 1.00 52.23 N ATOM 81 CA ILE A 5 2.928 1.217 2.145 1.00 63.43 C ATOM 82 C ILE A 5 1.831 0.190 1.846 1.00 70.41 C ATOM 83 O ILE A 5 1.886 -0.949 2.320 1.00 62.12 O ATOM 84 CB ILE A 5 4.340 0.686 1.693 1.00 62.12 C ATOM 85 CG1 ILE A 5 5.449 1.734 2.033 1.00 32.23 C ATOM 86 CG2 ILE A 5 4.346 0.336 0.173 1.00 33.54 C ATOM 87 CD1 ILE A 5 6.850 1.363 1.572 1.00 31.22 C ATOM 0 H ILE A 5 3.213 0.783 4.172 1.00 52.23 H new ATOM 0 HA ILE A 5 2.772 2.133 1.576 1.00 63.43 H new ATOM 0 HB ILE A 5 4.555 -0.230 2.243 1.00 62.12 H new ATOM 0 HG12 ILE A 5 5.176 2.688 1.583 1.00 32.23 H new ATOM 0 HG13 ILE A 5 5.466 1.884 3.112 1.00 32.23 H new ATOM 0 HG21 ILE A 5 5.333 -0.028 -0.113 1.00 33.54 H new ATOM 0 HG22 ILE A 5 3.603 -0.436 -0.025 1.00 33.54 H new ATOM 0 HG23 ILE A 5 4.107 1.228 -0.407 1.00 33.54 H new ATOM 0 HD11 ILE A 5 7.547 2.152 1.854 1.00 31.22 H new ATOM 0 HD12 ILE A 5 7.152 0.427 2.042 1.00 31.22 H new ATOM 0 HD13 ILE A 5 6.857 1.243 0.489 1.00 31.22 H new ATOM 99 N LEU A 6 0.826 0.622 1.084 1.00 73.45 N ATOM 100 CA LEU A 6 -0.308 -0.204 0.690 1.00 1.53 C ATOM 101 C LEU A 6 0.047 -0.960 -0.582 1.00 15.44 C ATOM 102 O LEU A 6 0.455 -0.357 -1.577 1.00 33.21 O ATOM 103 CB LEU A 6 -1.553 0.682 0.424 1.00 3.13 C ATOM 104 CG LEU A 6 -2.085 1.509 1.619 1.00 25.25 C ATOM 105 CD1 LEU A 6 -3.335 2.323 1.225 1.00 40.43 C ATOM 106 CD2 LEU A 6 -2.360 0.612 2.834 1.00 33.13 C ATOM 0 H LEU A 6 0.779 1.573 0.718 1.00 73.45 H new ATOM 0 HA LEU A 6 -0.536 -0.904 1.494 1.00 1.53 H new ATOM 0 HB2 LEU A 6 -1.314 1.370 -0.387 1.00 3.13 H new ATOM 0 HB3 LEU A 6 -2.359 0.039 0.069 1.00 3.13 H new ATOM 0 HG LEU A 6 -1.309 2.220 1.903 1.00 25.25 H new ATOM 0 HD11 LEU A 6 -3.684 2.893 2.086 1.00 40.43 H new ATOM 0 HD12 LEU A 6 -3.083 3.007 0.415 1.00 40.43 H new ATOM 0 HD13 LEU A 6 -4.122 1.645 0.895 1.00 40.43 H new ATOM 0 HD21 LEU A 6 -2.733 1.220 3.658 1.00 33.13 H new ATOM 0 HD22 LEU A 6 -3.105 -0.139 2.571 1.00 33.13 H new ATOM 0 HD23 LEU A 6 -1.437 0.117 3.137 1.00 33.13 H new ATOM 118 N ILE A 7 -0.071 -2.282 -0.526 1.00 31.43 N ATOM 119 CA ILE A 7 0.102 -3.154 -1.691 1.00 5.15 C ATOM 120 C ILE A 7 -1.246 -3.768 -2.044 1.00 1.30 C ATOM 121 O ILE A 7 -1.830 -4.502 -1.236 1.00 51.14 O ATOM 122 CB ILE A 7 1.163 -4.289 -1.429 1.00 51.25 C ATOM 123 CG1 ILE A 7 2.569 -3.671 -1.152 1.00 71.45 C ATOM 124 CG2 ILE A 7 1.226 -5.308 -2.601 1.00 25.23 C ATOM 125 CD1 ILE A 7 3.148 -2.836 -2.285 1.00 53.52 C ATOM 0 H ILE A 7 -0.291 -2.786 0.333 1.00 31.43 H new ATOM 0 HA ILE A 7 0.477 -2.553 -2.520 1.00 5.15 H new ATOM 0 HB ILE A 7 0.843 -4.838 -0.543 1.00 51.25 H new ATOM 0 HG12 ILE A 7 2.504 -3.048 -0.260 1.00 71.45 H new ATOM 0 HG13 ILE A 7 3.265 -4.479 -0.926 1.00 71.45 H new ATOM 0 HG21 ILE A 7 1.970 -6.073 -2.379 1.00 25.23 H new ATOM 0 HG22 ILE A 7 0.250 -5.777 -2.728 1.00 25.23 H new ATOM 0 HG23 ILE A 7 1.502 -4.790 -3.519 1.00 25.23 H new ATOM 0 HD11 ILE A 7 4.126 -2.453 -1.992 1.00 53.52 H new ATOM 0 HD12 ILE A 7 3.253 -3.455 -3.176 1.00 53.52 H new ATOM 0 HD13 ILE A 7 2.481 -2.001 -2.499 1.00 53.52 H new ATOM 137 N ASN A 8 -1.742 -3.426 -3.238 1.00 3.11 N ATOM 138 CA ASN A 8 -2.903 -4.071 -3.843 1.00 33.04 C ATOM 139 C ASN A 8 -2.498 -4.585 -5.220 1.00 63.03 C ATOM 140 O ASN A 8 -2.304 -3.798 -6.162 1.00 23.51 O ATOM 141 CB ASN A 8 -4.093 -3.095 -3.956 1.00 23.44 C ATOM 142 CG ASN A 8 -5.301 -3.739 -4.633 1.00 12.42 C ATOM 143 OD1 ASN A 8 -5.466 -3.655 -5.851 1.00 70.12 O ATOM 144 ND2 ASN A 8 -6.129 -4.421 -3.856 1.00 5.52 N ATOM 0 H ASN A 8 -1.342 -2.686 -3.814 1.00 3.11 H new ATOM 0 HA ASN A 8 -3.228 -4.898 -3.212 1.00 33.04 H new ATOM 0 HB2 ASN A 8 -4.376 -2.752 -2.961 1.00 23.44 H new ATOM 0 HB3 ASN A 8 -3.787 -2.215 -4.522 1.00 23.44 H new ATOM 0 HD21 ASN A 8 -6.934 -4.898 -4.263 1.00 5.52 H new ATOM 0 HD22 ASN A 8 -5.962 -4.469 -2.851 1.00 5.52 H new ATOM 151 N THR A 9 -2.308 -5.898 -5.316 1.00 2.43 N ATOM 152 CA THR A 9 -2.021 -6.565 -6.580 1.00 13.02 C ATOM 153 C THR A 9 -2.930 -7.782 -6.780 1.00 24.22 C ATOM 154 O THR A 9 -3.282 -8.484 -5.823 1.00 62.25 O ATOM 155 CB THR A 9 -0.501 -6.938 -6.718 1.00 74.20 C ATOM 156 OG1 THR A 9 -0.263 -7.701 -7.919 1.00 1.53 O ATOM 157 CG2 THR A 9 0.033 -7.696 -5.515 1.00 64.22 C ATOM 0 H THR A 9 -2.349 -6.530 -4.516 1.00 2.43 H new ATOM 0 HA THR A 9 -2.239 -5.857 -7.380 1.00 13.02 H new ATOM 0 HB THR A 9 0.038 -5.992 -6.775 1.00 74.20 H new ATOM 0 HG1 THR A 9 -0.614 -7.212 -8.692 1.00 1.53 H new ATOM 0 HG21 THR A 9 1.087 -7.926 -5.668 1.00 64.22 H new ATOM 0 HG22 THR A 9 -0.078 -7.084 -4.620 1.00 64.22 H new ATOM 0 HG23 THR A 9 -0.526 -8.623 -5.392 1.00 64.22 H new ATOM 165 N ASN A 10 -3.312 -7.992 -8.050 1.00 12.20 N ATOM 166 CA ASN A 10 -4.081 -9.163 -8.514 1.00 14.02 C ATOM 167 C ASN A 10 -3.226 -10.449 -8.350 1.00 20.43 C ATOM 168 O ASN A 10 -3.754 -11.559 -8.188 1.00 4.12 O ATOM 169 CB ASN A 10 -4.484 -8.916 -10.005 1.00 54.10 C ATOM 170 CG ASN A 10 -5.538 -9.877 -10.593 1.00 11.44 C ATOM 171 OD1 ASN A 10 -5.596 -11.059 -10.272 1.00 60.10 O ATOM 172 ND2 ASN A 10 -6.399 -9.357 -11.470 1.00 63.12 N ATOM 0 H ASN A 10 -3.091 -7.339 -8.801 1.00 12.20 H new ATOM 0 HA ASN A 10 -4.986 -9.300 -7.921 1.00 14.02 H new ATOM 0 HB2 ASN A 10 -4.862 -7.897 -10.094 1.00 54.10 H new ATOM 0 HB3 ASN A 10 -3.585 -8.977 -10.618 1.00 54.10 H new ATOM 0 HD21 ASN A 10 -7.121 -9.945 -11.886 1.00 63.12 H new ATOM 0 HD22 ASN A 10 -6.335 -8.371 -11.725 1.00 63.12 H new ATOM 179 N ASN A 11 -1.892 -10.248 -8.341 1.00 65.01 N ATOM 180 CA ASN A 11 -0.892 -11.319 -8.272 1.00 54.30 C ATOM 181 C ASN A 11 -0.459 -11.520 -6.809 1.00 51.03 C ATOM 182 O ASN A 11 0.417 -10.809 -6.309 1.00 61.24 O ATOM 183 CB ASN A 11 0.328 -10.958 -9.165 1.00 42.53 C ATOM 184 CG ASN A 11 -0.082 -10.484 -10.558 1.00 11.43 C ATOM 185 OD1 ASN A 11 -0.192 -11.267 -11.495 1.00 22.32 O ATOM 186 ND2 ASN A 11 -0.333 -9.191 -10.688 1.00 2.31 N ATOM 0 H ASN A 11 -1.478 -9.317 -8.382 1.00 65.01 H new ATOM 0 HA ASN A 11 -1.322 -12.250 -8.640 1.00 54.30 H new ATOM 0 HB2 ASN A 11 0.912 -10.178 -8.677 1.00 42.53 H new ATOM 0 HB3 ASN A 11 0.976 -11.830 -9.258 1.00 42.53 H new ATOM 0 HD21 ASN A 11 -0.629 -8.817 -11.590 1.00 2.31 H new ATOM 0 HD22 ASN A 11 -0.231 -8.569 -9.886 1.00 2.31 H new ATOM 193 N ASP A 12 -1.110 -12.462 -6.117 1.00 13.24 N ATOM 194 CA ASP A 12 -0.780 -12.814 -4.718 1.00 4.42 C ATOM 195 C ASP A 12 0.649 -13.408 -4.614 1.00 43.42 C ATOM 196 O ASP A 12 1.298 -13.317 -3.562 1.00 14.31 O ATOM 197 CB ASP A 12 -1.846 -13.797 -4.170 1.00 74.11 C ATOM 198 CG ASP A 12 -1.666 -14.122 -2.677 1.00 61.32 C ATOM 199 OD1 ASP A 12 -1.985 -13.260 -1.830 1.00 45.01 O ATOM 200 OD2 ASP A 12 -1.191 -15.229 -2.335 1.00 32.12 O ATOM 0 H ASP A 12 -1.881 -13.006 -6.505 1.00 13.24 H new ATOM 0 HA ASP A 12 -0.792 -11.910 -4.109 1.00 4.42 H new ATOM 0 HB2 ASP A 12 -2.837 -13.370 -4.325 1.00 74.11 H new ATOM 0 HB3 ASP A 12 -1.805 -14.723 -4.744 1.00 74.11 H new ATOM 205 N GLU A 13 1.123 -13.994 -5.730 1.00 20.02 N ATOM 206 CA GLU A 13 2.498 -14.507 -5.870 1.00 43.32 C ATOM 207 C GLU A 13 3.533 -13.365 -5.766 1.00 72.44 C ATOM 208 O GLU A 13 4.582 -13.521 -5.130 1.00 11.41 O ATOM 209 CB GLU A 13 2.651 -15.228 -7.232 1.00 62.03 C ATOM 210 CG GLU A 13 1.751 -16.464 -7.415 1.00 35.43 C ATOM 211 CD GLU A 13 1.989 -17.176 -8.758 1.00 2.10 C ATOM 212 OE1 GLU A 13 2.926 -17.999 -8.846 1.00 51.52 O ATOM 213 OE2 GLU A 13 1.267 -16.895 -9.732 1.00 33.50 O ATOM 0 H GLU A 13 0.556 -14.126 -6.568 1.00 20.02 H new ATOM 0 HA GLU A 13 2.683 -15.211 -5.058 1.00 43.32 H new ATOM 0 HB2 GLU A 13 2.434 -14.517 -8.029 1.00 62.03 H new ATOM 0 HB3 GLU A 13 3.691 -15.533 -7.351 1.00 62.03 H new ATOM 0 HG2 GLU A 13 1.932 -17.164 -6.600 1.00 35.43 H new ATOM 0 HG3 GLU A 13 0.706 -16.161 -7.349 1.00 35.43 H new ATOM 220 N LEU A 14 3.216 -12.231 -6.422 1.00 74.41 N ATOM 221 CA LEU A 14 4.057 -11.013 -6.422 1.00 32.24 C ATOM 222 C LEU A 14 4.238 -10.466 -4.994 1.00 51.45 C ATOM 223 O LEU A 14 5.313 -9.961 -4.651 1.00 35.31 O ATOM 224 CB LEU A 14 3.419 -9.951 -7.363 1.00 2.42 C ATOM 225 CG LEU A 14 4.080 -8.532 -7.417 1.00 22.33 C ATOM 226 CD1 LEU A 14 5.543 -8.582 -7.908 1.00 1.52 C ATOM 227 CD2 LEU A 14 3.232 -7.571 -8.276 1.00 32.41 C ATOM 0 H LEU A 14 2.363 -12.132 -6.972 1.00 74.41 H new ATOM 0 HA LEU A 14 5.051 -11.261 -6.794 1.00 32.24 H new ATOM 0 HB2 LEU A 14 3.416 -10.358 -8.374 1.00 2.42 H new ATOM 0 HB3 LEU A 14 2.377 -9.824 -7.068 1.00 2.42 H new ATOM 0 HG LEU A 14 4.109 -8.149 -6.397 1.00 22.33 H new ATOM 0 HD11 LEU A 14 5.955 -7.573 -7.927 1.00 1.52 H new ATOM 0 HD12 LEU A 14 6.133 -9.202 -7.233 1.00 1.52 H new ATOM 0 HD13 LEU A 14 5.576 -9.006 -8.911 1.00 1.52 H new ATOM 0 HD21 LEU A 14 3.707 -6.590 -8.302 1.00 32.41 H new ATOM 0 HD22 LEU A 14 3.153 -7.963 -9.290 1.00 32.41 H new ATOM 0 HD23 LEU A 14 2.235 -7.480 -7.844 1.00 32.41 H new ATOM 239 N ILE A 15 3.184 -10.611 -4.162 1.00 2.51 N ATOM 240 CA ILE A 15 3.200 -10.163 -2.756 1.00 44.53 C ATOM 241 C ILE A 15 4.300 -10.875 -1.950 1.00 35.23 C ATOM 242 O ILE A 15 4.976 -10.225 -1.156 1.00 4.43 O ATOM 243 CB ILE A 15 1.812 -10.376 -2.049 1.00 13.24 C ATOM 244 CG1 ILE A 15 0.701 -9.586 -2.794 1.00 32.20 C ATOM 245 CG2 ILE A 15 1.879 -9.969 -0.558 1.00 50.13 C ATOM 246 CD1 ILE A 15 -0.706 -9.733 -2.239 1.00 71.22 C ATOM 0 H ILE A 15 2.303 -11.040 -4.446 1.00 2.51 H new ATOM 0 HA ILE A 15 3.412 -9.094 -2.781 1.00 44.53 H new ATOM 0 HB ILE A 15 1.565 -11.437 -2.089 1.00 13.24 H new ATOM 0 HG12 ILE A 15 0.966 -8.529 -2.784 1.00 32.20 H new ATOM 0 HG13 ILE A 15 0.694 -9.903 -3.837 1.00 32.20 H new ATOM 0 HG21 ILE A 15 0.905 -10.127 -0.094 1.00 50.13 H new ATOM 0 HG22 ILE A 15 2.627 -10.577 -0.048 1.00 50.13 H new ATOM 0 HG23 ILE A 15 2.152 -8.917 -0.480 1.00 50.13 H new ATOM 0 HD11 ILE A 15 -1.397 -9.139 -2.837 1.00 71.22 H new ATOM 0 HD12 ILE A 15 -1.004 -10.781 -2.275 1.00 71.22 H new ATOM 0 HD13 ILE A 15 -0.728 -9.385 -1.206 1.00 71.22 H new ATOM 258 N LYS A 16 4.473 -12.200 -2.177 1.00 31.51 N ATOM 259 CA LYS A 16 5.519 -13.015 -1.497 1.00 0.15 C ATOM 260 C LYS A 16 6.897 -12.347 -1.617 1.00 75.44 C ATOM 261 O LYS A 16 7.646 -12.246 -0.642 1.00 0.20 O ATOM 262 CB LYS A 16 5.604 -14.436 -2.110 1.00 74.45 C ATOM 263 CG LYS A 16 4.305 -15.255 -2.043 1.00 54.12 C ATOM 264 CD LYS A 16 4.467 -16.637 -2.720 1.00 72.14 C ATOM 265 CE LYS A 16 3.200 -17.496 -2.636 1.00 35.40 C ATOM 266 NZ LYS A 16 2.831 -17.817 -1.233 1.00 60.25 N ATOM 0 H LYS A 16 3.899 -12.733 -2.830 1.00 31.51 H new ATOM 0 HA LYS A 16 5.237 -13.088 -0.447 1.00 0.15 H new ATOM 0 HB2 LYS A 16 5.905 -14.347 -3.154 1.00 74.45 H new ATOM 0 HB3 LYS A 16 6.391 -14.989 -1.597 1.00 74.45 H new ATOM 0 HG2 LYS A 16 4.014 -15.391 -1.002 1.00 54.12 H new ATOM 0 HG3 LYS A 16 3.501 -14.703 -2.529 1.00 54.12 H new ATOM 0 HD2 LYS A 16 4.734 -16.494 -3.767 1.00 72.14 H new ATOM 0 HD3 LYS A 16 5.293 -17.171 -2.251 1.00 72.14 H new ATOM 0 HE2 LYS A 16 2.374 -16.970 -3.116 1.00 35.40 H new ATOM 0 HE3 LYS A 16 3.353 -18.422 -3.190 1.00 35.40 H new ATOM 0 HZ1 LYS A 16 2.053 -18.507 -1.228 1.00 60.25 H new ATOM 0 HZ2 LYS A 16 3.654 -18.220 -0.741 1.00 60.25 H new ATOM 0 HZ3 LYS A 16 2.527 -16.949 -0.747 1.00 60.25 H new ATOM 280 N LYS A 17 7.171 -11.862 -2.838 1.00 0.55 N ATOM 281 CA LYS A 17 8.437 -11.222 -3.207 1.00 4.41 C ATOM 282 C LYS A 17 8.556 -9.846 -2.529 1.00 63.31 C ATOM 283 O LYS A 17 9.612 -9.497 -2.007 1.00 51.45 O ATOM 284 CB LYS A 17 8.513 -11.087 -4.747 1.00 51.03 C ATOM 285 CG LYS A 17 8.177 -12.383 -5.518 1.00 31.13 C ATOM 286 CD LYS A 17 8.205 -12.193 -7.050 1.00 73.32 C ATOM 287 CE LYS A 17 9.616 -11.937 -7.597 1.00 52.05 C ATOM 288 NZ LYS A 17 10.521 -13.101 -7.394 1.00 44.01 N ATOM 0 H LYS A 17 6.504 -11.906 -3.609 1.00 0.55 H new ATOM 0 HA LYS A 17 9.269 -11.837 -2.865 1.00 4.41 H new ATOM 0 HB2 LYS A 17 7.828 -10.301 -5.065 1.00 51.03 H new ATOM 0 HB3 LYS A 17 9.517 -10.765 -5.022 1.00 51.03 H new ATOM 0 HG2 LYS A 17 8.889 -13.160 -5.240 1.00 31.13 H new ATOM 0 HG3 LYS A 17 7.189 -12.733 -5.218 1.00 31.13 H new ATOM 0 HD2 LYS A 17 7.791 -13.081 -7.528 1.00 73.32 H new ATOM 0 HD3 LYS A 17 7.560 -11.357 -7.319 1.00 73.32 H new ATOM 0 HE2 LYS A 17 9.555 -11.709 -8.661 1.00 52.05 H new ATOM 0 HE3 LYS A 17 10.040 -11.060 -7.107 1.00 52.05 H new ATOM 0 HZ1 LYS A 17 11.403 -12.951 -7.924 1.00 44.01 H new ATOM 0 HZ2 LYS A 17 10.737 -13.200 -6.382 1.00 44.01 H new ATOM 0 HZ3 LYS A 17 10.055 -13.966 -7.735 1.00 44.01 H new ATOM 302 N ILE A 18 7.433 -9.097 -2.526 1.00 60.23 N ATOM 303 CA ILE A 18 7.340 -7.756 -1.909 1.00 1.10 C ATOM 304 C ILE A 18 7.568 -7.828 -0.375 1.00 61.33 C ATOM 305 O ILE A 18 8.155 -6.912 0.209 1.00 42.14 O ATOM 306 CB ILE A 18 5.944 -7.091 -2.246 1.00 64.33 C ATOM 307 CG1 ILE A 18 5.814 -6.861 -3.790 1.00 10.31 C ATOM 308 CG2 ILE A 18 5.719 -5.773 -1.464 1.00 40.14 C ATOM 309 CD1 ILE A 18 4.472 -6.310 -4.254 1.00 72.43 C ATOM 0 H ILE A 18 6.560 -9.407 -2.954 1.00 60.23 H new ATOM 0 HA ILE A 18 8.128 -7.131 -2.329 1.00 1.10 H new ATOM 0 HB ILE A 18 5.163 -7.781 -1.926 1.00 64.33 H new ATOM 0 HG12 ILE A 18 6.599 -6.174 -4.106 1.00 10.31 H new ATOM 0 HG13 ILE A 18 5.995 -7.808 -4.299 1.00 10.31 H new ATOM 0 HG21 ILE A 18 4.748 -5.354 -1.729 1.00 40.14 H new ATOM 0 HG22 ILE A 18 5.747 -5.976 -0.393 1.00 40.14 H new ATOM 0 HG23 ILE A 18 6.503 -5.060 -1.719 1.00 40.14 H new ATOM 0 HD11 ILE A 18 4.484 -6.187 -5.337 1.00 72.43 H new ATOM 0 HD12 ILE A 18 3.678 -7.004 -3.976 1.00 72.43 H new ATOM 0 HD13 ILE A 18 4.292 -5.345 -3.781 1.00 72.43 H new ATOM 321 N LYS A 19 7.131 -8.942 0.249 1.00 23.10 N ATOM 322 CA LYS A 19 7.311 -9.193 1.694 1.00 23.21 C ATOM 323 C LYS A 19 8.800 -9.279 2.033 1.00 21.33 C ATOM 324 O LYS A 19 9.303 -8.540 2.886 1.00 74.24 O ATOM 325 CB LYS A 19 6.607 -10.513 2.101 1.00 12.43 C ATOM 326 CG LYS A 19 5.069 -10.489 1.976 1.00 4.34 C ATOM 327 CD LYS A 19 4.436 -11.890 2.138 1.00 61.34 C ATOM 328 CE LYS A 19 4.827 -12.578 3.461 1.00 2.44 C ATOM 329 NZ LYS A 19 4.505 -11.744 4.649 1.00 54.11 N ATOM 0 H LYS A 19 6.642 -9.694 -0.236 1.00 23.10 H new ATOM 0 HA LYS A 19 6.865 -8.366 2.247 1.00 23.21 H new ATOM 0 HB2 LYS A 19 6.996 -11.322 1.482 1.00 12.43 H new ATOM 0 HB3 LYS A 19 6.870 -10.746 3.133 1.00 12.43 H new ATOM 0 HG2 LYS A 19 4.657 -9.819 2.731 1.00 4.34 H new ATOM 0 HG3 LYS A 19 4.794 -10.081 1.004 1.00 4.34 H new ATOM 0 HD2 LYS A 19 3.351 -11.800 2.088 1.00 61.34 H new ATOM 0 HD3 LYS A 19 4.742 -12.520 1.303 1.00 61.34 H new ATOM 0 HE2 LYS A 19 4.307 -13.533 3.539 1.00 2.44 H new ATOM 0 HE3 LYS A 19 5.895 -12.797 3.452 1.00 2.44 H new ATOM 0 HZ1 LYS A 19 4.707 -12.282 5.516 1.00 54.11 H new ATOM 0 HZ2 LYS A 19 5.084 -10.880 4.634 1.00 54.11 H new ATOM 0 HZ3 LYS A 19 3.498 -11.486 4.629 1.00 54.11 H new ATOM 343 N LYS A 20 9.505 -10.163 1.303 1.00 73.31 N ATOM 344 CA LYS A 20 10.942 -10.407 1.514 1.00 24.00 C ATOM 345 C LYS A 20 11.745 -9.128 1.206 1.00 42.12 C ATOM 346 O LYS A 20 12.761 -8.848 1.847 1.00 61.32 O ATOM 347 CB LYS A 20 11.442 -11.592 0.637 1.00 43.20 C ATOM 348 CG LYS A 20 10.552 -12.867 0.653 1.00 62.23 C ATOM 349 CD LYS A 20 10.219 -13.437 2.060 1.00 61.32 C ATOM 350 CE LYS A 20 11.402 -14.141 2.761 1.00 10.33 C ATOM 351 NZ LYS A 20 12.484 -13.209 3.172 1.00 30.22 N ATOM 0 H LYS A 20 9.097 -10.724 0.555 1.00 73.31 H new ATOM 0 HA LYS A 20 11.096 -10.677 2.559 1.00 24.00 H new ATOM 0 HB2 LYS A 20 11.530 -11.246 -0.393 1.00 43.20 H new ATOM 0 HB3 LYS A 20 12.444 -11.867 0.967 1.00 43.20 H new ATOM 0 HG2 LYS A 20 9.616 -12.641 0.142 1.00 62.23 H new ATOM 0 HG3 LYS A 20 11.052 -13.644 0.075 1.00 62.23 H new ATOM 0 HD2 LYS A 20 9.869 -12.623 2.695 1.00 61.32 H new ATOM 0 HD3 LYS A 20 9.395 -14.145 1.966 1.00 61.32 H new ATOM 0 HE2 LYS A 20 11.032 -14.667 3.641 1.00 10.33 H new ATOM 0 HE3 LYS A 20 11.816 -14.894 2.090 1.00 10.33 H new ATOM 0 HZ1 LYS A 20 13.023 -13.628 3.956 1.00 30.22 H new ATOM 0 HZ2 LYS A 20 13.120 -13.039 2.367 1.00 30.22 H new ATOM 0 HZ3 LYS A 20 12.067 -12.308 3.481 1.00 30.22 H new ATOM 365 N GLU A 21 11.232 -8.356 0.232 1.00 30.53 N ATOM 366 CA GLU A 21 11.832 -7.111 -0.255 1.00 64.51 C ATOM 367 C GLU A 21 11.843 -6.034 0.854 1.00 53.44 C ATOM 368 O GLU A 21 12.880 -5.405 1.116 1.00 4.52 O ATOM 369 CB GLU A 21 11.035 -6.605 -1.508 1.00 12.14 C ATOM 370 CG GLU A 21 11.882 -5.921 -2.586 1.00 43.55 C ATOM 371 CD GLU A 21 12.901 -6.876 -3.237 1.00 14.13 C ATOM 372 OE1 GLU A 21 12.488 -7.728 -4.058 1.00 62.11 O ATOM 373 OE2 GLU A 21 14.107 -6.807 -2.911 1.00 14.33 O ATOM 0 H GLU A 21 10.364 -8.592 -0.249 1.00 30.53 H new ATOM 0 HA GLU A 21 12.866 -7.304 -0.540 1.00 64.51 H new ATOM 0 HB2 GLU A 21 10.519 -7.453 -1.958 1.00 12.14 H new ATOM 0 HB3 GLU A 21 10.268 -5.906 -1.173 1.00 12.14 H new ATOM 0 HG2 GLU A 21 11.225 -5.517 -3.356 1.00 43.55 H new ATOM 0 HG3 GLU A 21 12.412 -5.077 -2.145 1.00 43.55 H new ATOM 380 N VAL A 22 10.676 -5.846 1.506 1.00 22.12 N ATOM 381 CA VAL A 22 10.491 -4.813 2.548 1.00 65.44 C ATOM 382 C VAL A 22 11.198 -5.189 3.865 1.00 12.24 C ATOM 383 O VAL A 22 11.528 -4.302 4.661 1.00 25.21 O ATOM 384 CB VAL A 22 8.976 -4.484 2.815 1.00 33.23 C ATOM 385 CG1 VAL A 22 8.276 -4.006 1.530 1.00 74.44 C ATOM 386 CG2 VAL A 22 8.221 -5.670 3.470 1.00 51.32 C ATOM 0 H VAL A 22 9.840 -6.402 1.327 1.00 22.12 H new ATOM 0 HA VAL A 22 10.958 -3.910 2.155 1.00 65.44 H new ATOM 0 HB VAL A 22 8.949 -3.665 3.534 1.00 33.23 H new ATOM 0 HG11 VAL A 22 7.230 -3.786 1.745 1.00 74.44 H new ATOM 0 HG12 VAL A 22 8.768 -3.106 1.161 1.00 74.44 H new ATOM 0 HG13 VAL A 22 8.334 -4.787 0.772 1.00 74.44 H new ATOM 0 HG21 VAL A 22 7.180 -5.393 3.634 1.00 51.32 H new ATOM 0 HG22 VAL A 22 8.266 -6.538 2.812 1.00 51.32 H new ATOM 0 HG23 VAL A 22 8.686 -5.914 4.425 1.00 51.32 H new ATOM 396 N GLU A 23 11.419 -6.508 4.086 1.00 63.54 N ATOM 397 CA GLU A 23 12.205 -7.012 5.235 1.00 32.31 C ATOM 398 C GLU A 23 13.667 -6.507 5.196 1.00 74.53 C ATOM 399 O GLU A 23 14.299 -6.368 6.251 1.00 31.14 O ATOM 400 CB GLU A 23 12.172 -8.562 5.295 1.00 12.24 C ATOM 401 CG GLU A 23 10.791 -9.151 5.642 1.00 74.32 C ATOM 402 CD GLU A 23 10.818 -10.682 5.758 1.00 73.01 C ATOM 403 OE1 GLU A 23 10.759 -11.369 4.725 1.00 14.54 O ATOM 404 OE2 GLU A 23 10.921 -11.207 6.889 1.00 23.14 O ATOM 0 H GLU A 23 11.061 -7.245 3.478 1.00 63.54 H new ATOM 0 HA GLU A 23 11.740 -6.618 6.139 1.00 32.31 H new ATOM 0 HB2 GLU A 23 12.492 -8.959 4.332 1.00 12.24 H new ATOM 0 HB3 GLU A 23 12.896 -8.901 6.036 1.00 12.24 H new ATOM 0 HG2 GLU A 23 10.444 -8.724 6.583 1.00 74.32 H new ATOM 0 HG3 GLU A 23 10.072 -8.860 4.876 1.00 74.32 H new ATOM 411 N ASN A 24 14.187 -6.220 3.979 1.00 34.32 N ATOM 412 CA ASN A 24 15.553 -5.656 3.798 1.00 22.23 C ATOM 413 C ASN A 24 15.655 -4.208 4.325 1.00 24.40 C ATOM 414 O ASN A 24 16.762 -3.693 4.512 1.00 4.42 O ATOM 415 CB ASN A 24 15.992 -5.704 2.307 1.00 63.23 C ATOM 416 CG ASN A 24 16.166 -7.127 1.782 1.00 21.22 C ATOM 417 OD1 ASN A 24 17.231 -7.725 1.916 1.00 11.34 O ATOM 418 ND2 ASN A 24 15.130 -7.683 1.189 1.00 73.14 N ATOM 0 H ASN A 24 13.683 -6.369 3.105 1.00 34.32 H new ATOM 0 HA ASN A 24 16.226 -6.281 4.385 1.00 22.23 H new ATOM 0 HB2 ASN A 24 15.250 -5.186 1.699 1.00 63.23 H new ATOM 0 HB3 ASN A 24 16.931 -5.163 2.193 1.00 63.23 H new ATOM 0 HD21 ASN A 24 15.199 -8.634 0.827 1.00 73.14 H new ATOM 0 HD22 ASN A 24 14.258 -7.163 1.092 1.00 73.14 H new ATOM 425 N GLN A 25 14.497 -3.550 4.521 1.00 32.11 N ATOM 426 CA GLN A 25 14.414 -2.191 5.111 1.00 31.55 C ATOM 427 C GLN A 25 13.765 -2.222 6.508 1.00 21.31 C ATOM 428 O GLN A 25 13.687 -1.188 7.173 1.00 54.13 O ATOM 429 CB GLN A 25 13.648 -1.240 4.148 1.00 45.14 C ATOM 430 CG GLN A 25 14.406 -0.915 2.845 1.00 71.35 C ATOM 431 CD GLN A 25 15.730 -0.178 3.097 1.00 13.32 C ATOM 432 OE1 GLN A 25 15.779 1.051 3.132 1.00 24.15 O ATOM 433 NE2 GLN A 25 16.807 -0.925 3.296 1.00 61.24 N ATOM 0 H GLN A 25 13.588 -3.942 4.276 1.00 32.11 H new ATOM 0 HA GLN A 25 15.426 -1.808 5.241 1.00 31.55 H new ATOM 0 HB2 GLN A 25 12.690 -1.693 3.894 1.00 45.14 H new ATOM 0 HB3 GLN A 25 13.432 -0.309 4.671 1.00 45.14 H new ATOM 0 HG2 GLN A 25 14.607 -1.841 2.306 1.00 71.35 H new ATOM 0 HG3 GLN A 25 13.771 -0.304 2.203 1.00 71.35 H new ATOM 0 HE21 GLN A 25 16.736 -1.942 3.261 1.00 61.24 H new ATOM 0 HE22 GLN A 25 17.707 -0.483 3.484 1.00 61.24 H new ATOM 442 N GLY A 26 13.318 -3.420 6.944 1.00 50.11 N ATOM 443 CA GLY A 26 12.802 -3.623 8.303 1.00 24.32 C ATOM 444 C GLY A 26 11.332 -3.261 8.465 1.00 21.30 C ATOM 445 O GLY A 26 10.918 -2.784 9.531 1.00 64.54 O ATOM 0 H GLY A 26 13.307 -4.261 6.366 1.00 50.11 H new ATOM 0 HA2 GLY A 26 12.942 -4.667 8.582 1.00 24.32 H new ATOM 0 HA3 GLY A 26 13.392 -3.026 8.998 1.00 24.32 H new ATOM 449 N TYR A 27 10.548 -3.464 7.393 1.00 34.34 N ATOM 450 CA TYR A 27 9.083 -3.287 7.418 1.00 62.40 C ATOM 451 C TYR A 27 8.407 -4.585 7.847 1.00 14.40 C ATOM 452 O TYR A 27 8.827 -5.681 7.454 1.00 64.15 O ATOM 453 CB TYR A 27 8.523 -2.870 6.031 1.00 21.04 C ATOM 454 CG TYR A 27 8.867 -1.452 5.591 1.00 32.43 C ATOM 455 CD1 TYR A 27 10.191 -1.035 5.507 1.00 22.44 C ATOM 456 CD2 TYR A 27 7.870 -0.533 5.242 1.00 51.43 C ATOM 457 CE1 TYR A 27 10.511 0.238 5.126 1.00 31.53 C ATOM 458 CE2 TYR A 27 8.193 0.747 4.855 1.00 63.43 C ATOM 459 CZ TYR A 27 9.517 1.124 4.793 1.00 52.13 C ATOM 460 OH TYR A 27 9.850 2.395 4.421 1.00 64.31 O ATOM 0 H TYR A 27 10.910 -3.755 6.485 1.00 34.34 H new ATOM 0 HA TYR A 27 8.869 -2.491 8.131 1.00 62.40 H new ATOM 0 HB2 TYR A 27 8.898 -3.567 5.281 1.00 21.04 H new ATOM 0 HB3 TYR A 27 7.438 -2.974 6.049 1.00 21.04 H new ATOM 0 HD1 TYR A 27 10.982 -1.730 5.747 1.00 22.44 H new ATOM 0 HD2 TYR A 27 6.833 -0.833 5.277 1.00 51.43 H new ATOM 0 HE1 TYR A 27 11.545 0.547 5.087 1.00 31.53 H new ATOM 0 HE2 TYR A 27 7.415 1.451 4.602 1.00 63.43 H new ATOM 0 HH TYR A 27 10.731 2.390 3.992 1.00 64.31 H new ATOM 470 N GLN A 28 7.356 -4.430 8.646 1.00 62.11 N ATOM 471 CA GLN A 28 6.446 -5.516 9.026 1.00 32.43 C ATOM 472 C GLN A 28 5.418 -5.698 7.903 1.00 65.50 C ATOM 473 O GLN A 28 5.321 -4.856 7.011 1.00 53.20 O ATOM 474 CB GLN A 28 5.728 -5.174 10.363 1.00 52.51 C ATOM 475 CG GLN A 28 6.631 -5.075 11.620 1.00 52.11 C ATOM 476 CD GLN A 28 7.697 -3.971 11.532 1.00 22.31 C ATOM 477 OE1 GLN A 28 8.853 -4.217 11.201 1.00 12.23 O ATOM 478 NE2 GLN A 28 7.296 -2.737 11.762 1.00 55.34 N ATOM 0 H GLN A 28 7.104 -3.531 9.057 1.00 62.11 H new ATOM 0 HA GLN A 28 7.007 -6.439 9.171 1.00 32.43 H new ATOM 0 HB2 GLN A 28 5.208 -4.224 10.239 1.00 52.51 H new ATOM 0 HB3 GLN A 28 4.967 -5.932 10.547 1.00 52.51 H new ATOM 0 HG2 GLN A 28 6.004 -4.893 12.493 1.00 52.11 H new ATOM 0 HG3 GLN A 28 7.126 -6.033 11.777 1.00 52.11 H new ATOM 0 HE21 GLN A 28 6.330 -2.557 12.036 1.00 55.34 H new ATOM 0 HE22 GLN A 28 7.952 -1.961 11.666 1.00 55.34 H new ATOM 487 N VAL A 29 4.662 -6.794 7.941 1.00 45.52 N ATOM 488 CA VAL A 29 3.582 -7.056 6.970 1.00 42.02 C ATOM 489 C VAL A 29 2.299 -7.368 7.747 1.00 1.11 C ATOM 490 O VAL A 29 2.316 -8.205 8.653 1.00 11.22 O ATOM 491 CB VAL A 29 3.930 -8.229 5.976 1.00 64.50 C ATOM 492 CG1 VAL A 29 2.774 -8.491 4.978 1.00 25.03 C ATOM 493 CG2 VAL A 29 5.250 -7.941 5.216 1.00 45.21 C ATOM 0 H VAL A 29 4.774 -7.528 8.640 1.00 45.52 H new ATOM 0 HA VAL A 29 3.449 -6.167 6.353 1.00 42.02 H new ATOM 0 HB VAL A 29 4.067 -9.131 6.573 1.00 64.50 H new ATOM 0 HG11 VAL A 29 3.049 -9.306 4.308 1.00 25.03 H new ATOM 0 HG12 VAL A 29 1.873 -8.762 5.528 1.00 25.03 H new ATOM 0 HG13 VAL A 29 2.586 -7.590 4.394 1.00 25.03 H new ATOM 0 HG21 VAL A 29 5.466 -8.766 4.537 1.00 45.21 H new ATOM 0 HG22 VAL A 29 5.147 -7.018 4.645 1.00 45.21 H new ATOM 0 HG23 VAL A 29 6.066 -7.836 5.931 1.00 45.21 H new ATOM 503 N ARG A 30 1.203 -6.669 7.402 1.00 5.21 N ATOM 504 CA ARG A 30 -0.098 -6.790 8.069 1.00 73.35 C ATOM 505 C ARG A 30 -1.164 -7.214 7.048 1.00 74.33 C ATOM 506 O ARG A 30 -1.526 -6.434 6.159 1.00 2.21 O ATOM 507 CB ARG A 30 -0.498 -5.446 8.726 1.00 33.31 C ATOM 508 CG ARG A 30 -1.853 -5.465 9.486 1.00 65.33 C ATOM 509 CD ARG A 30 -1.797 -6.207 10.837 1.00 22.03 C ATOM 510 NE ARG A 30 -1.480 -7.653 10.734 1.00 22.13 N ATOM 511 CZ ARG A 30 -2.166 -8.648 11.314 1.00 12.42 C ATOM 512 NH1 ARG A 30 -3.234 -8.402 12.055 1.00 65.44 N ATOM 513 NH2 ARG A 30 -1.744 -9.896 11.186 1.00 12.41 N ATOM 0 H ARG A 30 1.201 -5.993 6.638 1.00 5.21 H new ATOM 0 HA ARG A 30 -0.024 -7.547 8.850 1.00 73.35 H new ATOM 0 HB2 ARG A 30 0.288 -5.151 9.422 1.00 33.31 H new ATOM 0 HB3 ARG A 30 -0.543 -4.680 7.952 1.00 33.31 H new ATOM 0 HG2 ARG A 30 -2.177 -4.439 9.659 1.00 65.33 H new ATOM 0 HG3 ARG A 30 -2.607 -5.935 8.855 1.00 65.33 H new ATOM 0 HD2 ARG A 30 -1.049 -5.728 11.469 1.00 22.03 H new ATOM 0 HD3 ARG A 30 -2.758 -6.094 11.339 1.00 22.03 H new ATOM 0 HE ARG A 30 -0.669 -7.913 10.173 1.00 22.13 H new ATOM 0 HH11 ARG A 30 -3.549 -7.442 12.193 1.00 65.44 H new ATOM 0 HH12 ARG A 30 -3.743 -9.173 12.488 1.00 65.44 H new ATOM 0 HH21 ARG A 30 -0.901 -10.097 10.648 1.00 12.41 H new ATOM 0 HH22 ARG A 30 -2.262 -10.657 11.625 1.00 12.41 H new ATOM 527 N ASP A 31 -1.668 -8.444 7.193 1.00 23.34 N ATOM 528 CA ASP A 31 -2.631 -9.030 6.258 1.00 1.22 C ATOM 529 C ASP A 31 -4.058 -8.586 6.593 1.00 61.32 C ATOM 530 O ASP A 31 -4.609 -8.928 7.651 1.00 62.24 O ATOM 531 CB ASP A 31 -2.525 -10.570 6.279 1.00 73.01 C ATOM 532 CG ASP A 31 -1.188 -11.079 5.713 1.00 34.14 C ATOM 533 OD1 ASP A 31 -0.129 -10.761 6.289 1.00 23.51 O ATOM 534 OD2 ASP A 31 -1.186 -11.817 4.706 1.00 71.13 O ATOM 0 H ASP A 31 -1.418 -9.062 7.965 1.00 23.34 H new ATOM 0 HA ASP A 31 -2.394 -8.676 5.255 1.00 1.22 H new ATOM 0 HB2 ASP A 31 -2.640 -10.924 7.303 1.00 73.01 H new ATOM 0 HB3 ASP A 31 -3.345 -10.995 5.701 1.00 73.01 H new ATOM 539 N VAL A 32 -4.612 -7.780 5.688 1.00 62.32 N ATOM 540 CA VAL A 32 -6.024 -7.429 5.648 1.00 55.30 C ATOM 541 C VAL A 32 -6.687 -8.258 4.527 1.00 44.30 C ATOM 542 O VAL A 32 -6.451 -8.016 3.341 1.00 13.11 O ATOM 543 CB VAL A 32 -6.209 -5.884 5.392 1.00 41.14 C ATOM 544 CG1 VAL A 32 -7.703 -5.505 5.229 1.00 2.32 C ATOM 545 CG2 VAL A 32 -5.535 -5.048 6.515 1.00 12.42 C ATOM 0 H VAL A 32 -4.071 -7.342 4.942 1.00 62.32 H new ATOM 0 HA VAL A 32 -6.495 -7.653 6.605 1.00 55.30 H new ATOM 0 HB VAL A 32 -5.711 -5.646 4.452 1.00 41.14 H new ATOM 0 HG11 VAL A 32 -7.789 -4.433 5.054 1.00 2.32 H new ATOM 0 HG12 VAL A 32 -8.125 -6.046 4.382 1.00 2.32 H new ATOM 0 HG13 VAL A 32 -8.247 -5.770 6.136 1.00 2.32 H new ATOM 0 HG21 VAL A 32 -5.678 -3.986 6.314 1.00 12.42 H new ATOM 0 HG22 VAL A 32 -5.985 -5.299 7.475 1.00 12.42 H new ATOM 0 HG23 VAL A 32 -4.469 -5.272 6.545 1.00 12.42 H new ATOM 555 N ASN A 33 -7.504 -9.238 4.932 1.00 45.44 N ATOM 556 CA ASN A 33 -8.204 -10.164 4.015 1.00 32.44 C ATOM 557 C ASN A 33 -9.604 -9.635 3.683 1.00 14.31 C ATOM 558 O ASN A 33 -10.077 -9.753 2.550 1.00 72.52 O ATOM 559 CB ASN A 33 -8.325 -11.570 4.670 1.00 33.21 C ATOM 560 CG ASN A 33 -6.973 -12.233 4.941 1.00 73.23 C ATOM 561 OD1 ASN A 33 -6.480 -13.013 4.130 1.00 0.02 O ATOM 562 ND2 ASN A 33 -6.355 -11.916 6.074 1.00 25.35 N ATOM 0 H ASN A 33 -7.704 -9.418 5.916 1.00 45.44 H new ATOM 0 HA ASN A 33 -7.626 -10.239 3.094 1.00 32.44 H new ATOM 0 HB2 ASN A 33 -8.871 -11.479 5.609 1.00 33.21 H new ATOM 0 HB3 ASN A 33 -8.914 -12.216 4.019 1.00 33.21 H new ATOM 0 HD21 ASN A 33 -5.445 -12.324 6.290 1.00 25.35 H new ATOM 0 HD22 ASN A 33 -6.790 -11.265 6.727 1.00 25.35 H new ATOM 569 N ASP A 34 -10.238 -9.025 4.689 1.00 73.44 N ATOM 570 CA ASP A 34 -11.679 -8.714 4.675 1.00 24.22 C ATOM 571 C ASP A 34 -11.938 -7.342 5.328 1.00 41.21 C ATOM 572 O ASP A 34 -11.013 -6.721 5.856 1.00 62.14 O ATOM 573 CB ASP A 34 -12.438 -9.860 5.420 1.00 2.12 C ATOM 574 CG ASP A 34 -13.973 -9.721 5.388 1.00 72.33 C ATOM 575 OD1 ASP A 34 -14.547 -9.761 4.281 1.00 15.42 O ATOM 576 OD2 ASP A 34 -14.594 -9.506 6.451 1.00 11.31 O ATOM 0 H ASP A 34 -9.767 -8.729 5.544 1.00 73.44 H new ATOM 0 HA ASP A 34 -12.044 -8.653 3.650 1.00 24.22 H new ATOM 0 HB2 ASP A 34 -12.161 -10.815 4.974 1.00 2.12 H new ATOM 0 HB3 ASP A 34 -12.108 -9.885 6.458 1.00 2.12 H new ATOM 581 N SER A 35 -13.198 -6.875 5.244 1.00 24.14 N ATOM 582 CA SER A 35 -13.690 -5.663 5.919 1.00 62.22 C ATOM 583 C SER A 35 -13.519 -5.739 7.449 1.00 73.12 C ATOM 584 O SER A 35 -13.236 -4.725 8.094 1.00 24.40 O ATOM 585 CB SER A 35 -15.175 -5.456 5.549 1.00 50.42 C ATOM 586 OG SER A 35 -15.941 -6.633 5.786 1.00 60.13 O ATOM 0 H SER A 35 -13.917 -7.342 4.692 1.00 24.14 H new ATOM 0 HA SER A 35 -13.096 -4.814 5.581 1.00 62.22 H new ATOM 0 HB2 SER A 35 -15.585 -4.631 6.131 1.00 50.42 H new ATOM 0 HB3 SER A 35 -15.254 -5.175 4.499 1.00 50.42 H new ATOM 0 HG SER A 35 -16.876 -6.469 5.543 1.00 60.13 H new ATOM 592 N ASP A 36 -13.697 -6.953 8.008 1.00 72.31 N ATOM 593 CA ASP A 36 -13.505 -7.223 9.440 1.00 64.31 C ATOM 594 C ASP A 36 -12.028 -7.038 9.805 1.00 0.14 C ATOM 595 O ASP A 36 -11.702 -6.326 10.755 1.00 33.31 O ATOM 596 CB ASP A 36 -13.984 -8.655 9.794 1.00 55.20 C ATOM 597 CG ASP A 36 -13.837 -8.987 11.292 1.00 1.02 C ATOM 598 OD1 ASP A 36 -14.704 -8.569 12.088 1.00 2.24 O ATOM 599 OD2 ASP A 36 -12.863 -9.667 11.678 1.00 73.41 O ATOM 0 H ASP A 36 -13.979 -7.774 7.473 1.00 72.31 H new ATOM 0 HA ASP A 36 -14.102 -6.518 10.018 1.00 64.31 H new ATOM 0 HB2 ASP A 36 -15.029 -8.764 9.504 1.00 55.20 H new ATOM 0 HB3 ASP A 36 -13.414 -9.377 9.210 1.00 55.20 H new ATOM 604 N GLU A 37 -11.155 -7.673 9.003 1.00 73.14 N ATOM 605 CA GLU A 37 -9.692 -7.557 9.126 1.00 71.42 C ATOM 606 C GLU A 37 -9.253 -6.087 9.030 1.00 51.32 C ATOM 607 O GLU A 37 -8.388 -5.647 9.782 1.00 25.31 O ATOM 608 CB GLU A 37 -9.013 -8.377 7.999 1.00 51.44 C ATOM 609 CG GLU A 37 -9.290 -9.894 8.032 1.00 4.53 C ATOM 610 CD GLU A 37 -8.529 -10.618 9.153 1.00 73.43 C ATOM 611 OE1 GLU A 37 -9.013 -10.643 10.302 1.00 10.02 O ATOM 612 OE2 GLU A 37 -7.430 -11.154 8.884 1.00 61.21 O ATOM 0 H GLU A 37 -11.449 -8.287 8.244 1.00 73.14 H new ATOM 0 HA GLU A 37 -9.391 -7.946 10.099 1.00 71.42 H new ATOM 0 HB2 GLU A 37 -9.343 -7.985 7.037 1.00 51.44 H new ATOM 0 HB3 GLU A 37 -7.936 -8.219 8.055 1.00 51.44 H new ATOM 0 HG2 GLU A 37 -10.360 -10.060 8.160 1.00 4.53 H new ATOM 0 HG3 GLU A 37 -9.013 -10.330 7.072 1.00 4.53 H new ATOM 619 N LEU A 38 -9.903 -5.344 8.111 1.00 64.30 N ATOM 620 CA LEU A 38 -9.609 -3.934 7.844 1.00 23.41 C ATOM 621 C LEU A 38 -9.833 -3.106 9.102 1.00 1.30 C ATOM 622 O LEU A 38 -8.885 -2.546 9.646 1.00 5.04 O ATOM 623 CB LEU A 38 -10.508 -3.396 6.696 1.00 20.24 C ATOM 624 CG LEU A 38 -10.262 -1.910 6.265 1.00 52.54 C ATOM 625 CD1 LEU A 38 -8.897 -1.752 5.578 1.00 32.25 C ATOM 626 CD2 LEU A 38 -11.411 -1.382 5.383 1.00 70.54 C ATOM 0 H LEU A 38 -10.654 -5.717 7.530 1.00 64.30 H new ATOM 0 HA LEU A 38 -8.565 -3.852 7.540 1.00 23.41 H new ATOM 0 HB2 LEU A 38 -10.368 -4.034 5.823 1.00 20.24 H new ATOM 0 HB3 LEU A 38 -11.550 -3.497 7.000 1.00 20.24 H new ATOM 0 HG LEU A 38 -10.245 -1.300 7.168 1.00 52.54 H new ATOM 0 HD11 LEU A 38 -8.753 -0.711 5.290 1.00 32.25 H new ATOM 0 HD12 LEU A 38 -8.106 -2.050 6.267 1.00 32.25 H new ATOM 0 HD13 LEU A 38 -8.862 -2.383 4.690 1.00 32.25 H new ATOM 0 HD21 LEU A 38 -11.208 -0.349 5.102 1.00 70.54 H new ATOM 0 HD22 LEU A 38 -11.490 -1.994 4.484 1.00 70.54 H new ATOM 0 HD23 LEU A 38 -12.348 -1.430 5.938 1.00 70.54 H new ATOM 638 N LYS A 39 -11.093 -3.113 9.593 1.00 1.42 N ATOM 639 CA LYS A 39 -11.538 -2.233 10.680 1.00 32.40 C ATOM 640 C LYS A 39 -10.794 -2.538 11.991 1.00 71.23 C ATOM 641 O LYS A 39 -10.476 -1.614 12.742 1.00 25.41 O ATOM 642 CB LYS A 39 -13.097 -2.302 10.831 1.00 1.01 C ATOM 643 CG LYS A 39 -13.697 -3.691 11.210 1.00 54.22 C ATOM 644 CD LYS A 39 -13.746 -3.946 12.740 1.00 15.21 C ATOM 645 CE LYS A 39 -14.127 -5.389 13.103 1.00 70.15 C ATOM 646 NZ LYS A 39 -15.453 -5.776 12.575 1.00 4.11 N ATOM 0 H LYS A 39 -11.824 -3.731 9.242 1.00 1.42 H new ATOM 0 HA LYS A 39 -11.284 -1.204 10.426 1.00 32.40 H new ATOM 0 HB2 LYS A 39 -13.399 -1.581 11.591 1.00 1.01 H new ATOM 0 HB3 LYS A 39 -13.546 -1.981 9.891 1.00 1.01 H new ATOM 0 HG2 LYS A 39 -14.706 -3.765 10.805 1.00 54.22 H new ATOM 0 HG3 LYS A 39 -13.105 -4.475 10.738 1.00 54.22 H new ATOM 0 HD2 LYS A 39 -12.772 -3.715 13.171 1.00 15.21 H new ATOM 0 HD3 LYS A 39 -14.465 -3.263 13.192 1.00 15.21 H new ATOM 0 HE2 LYS A 39 -13.371 -6.070 12.712 1.00 70.15 H new ATOM 0 HE3 LYS A 39 -14.125 -5.500 14.187 1.00 70.15 H new ATOM 0 HZ1 LYS A 39 -15.434 -6.775 12.287 1.00 4.11 H new ATOM 0 HZ2 LYS A 39 -16.173 -5.643 13.313 1.00 4.11 H new ATOM 0 HZ3 LYS A 39 -15.686 -5.183 11.753 1.00 4.11 H new ATOM 660 N LYS A 40 -10.492 -3.844 12.244 1.00 61.23 N ATOM 661 CA LYS A 40 -9.715 -4.269 13.422 1.00 74.01 C ATOM 662 C LYS A 40 -8.368 -3.551 13.444 1.00 11.12 C ATOM 663 O LYS A 40 -8.023 -2.880 14.430 1.00 44.44 O ATOM 664 CB LYS A 40 -9.511 -5.799 13.454 1.00 2.43 C ATOM 665 CG LYS A 40 -10.794 -6.595 13.755 1.00 72.12 C ATOM 666 CD LYS A 40 -10.539 -8.067 14.135 1.00 42.42 C ATOM 667 CE LYS A 40 -9.918 -8.931 13.008 1.00 75.45 C ATOM 668 NZ LYS A 40 -8.468 -8.667 12.779 1.00 4.04 N ATOM 0 H LYS A 40 -10.780 -4.614 11.640 1.00 61.23 H new ATOM 0 HA LYS A 40 -10.283 -3.998 14.312 1.00 74.01 H new ATOM 0 HB2 LYS A 40 -9.112 -6.122 12.493 1.00 2.43 H new ATOM 0 HB3 LYS A 40 -8.761 -6.040 14.207 1.00 2.43 H new ATOM 0 HG2 LYS A 40 -11.330 -6.107 14.569 1.00 72.12 H new ATOM 0 HG3 LYS A 40 -11.444 -6.563 12.881 1.00 72.12 H new ATOM 0 HD2 LYS A 40 -9.878 -8.095 15.001 1.00 42.42 H new ATOM 0 HD3 LYS A 40 -11.483 -8.518 14.441 1.00 42.42 H new ATOM 0 HE2 LYS A 40 -10.052 -9.984 13.254 1.00 75.45 H new ATOM 0 HE3 LYS A 40 -10.462 -8.749 12.081 1.00 75.45 H new ATOM 0 HZ1 LYS A 40 -7.972 -9.567 12.619 1.00 4.04 H new ATOM 0 HZ2 LYS A 40 -8.354 -8.056 11.946 1.00 4.04 H new ATOM 0 HZ3 LYS A 40 -8.065 -8.194 13.613 1.00 4.04 H new ATOM 682 N GLU A 41 -7.655 -3.631 12.308 1.00 31.13 N ATOM 683 CA GLU A 41 -6.336 -3.022 12.168 1.00 51.01 C ATOM 684 C GLU A 41 -6.449 -1.497 12.052 1.00 30.11 C ATOM 685 O GLU A 41 -5.515 -0.808 12.395 1.00 63.45 O ATOM 686 CB GLU A 41 -5.556 -3.613 10.956 1.00 73.13 C ATOM 687 CG GLU A 41 -5.518 -5.166 10.886 1.00 71.10 C ATOM 688 CD GLU A 41 -5.372 -5.869 12.259 1.00 65.20 C ATOM 689 OE1 GLU A 41 -4.323 -5.710 12.917 1.00 10.44 O ATOM 690 OE2 GLU A 41 -6.297 -6.613 12.665 1.00 44.12 O ATOM 0 H GLU A 41 -7.979 -4.117 11.472 1.00 31.13 H new ATOM 0 HA GLU A 41 -5.769 -3.257 13.069 1.00 51.01 H new ATOM 0 HB2 GLU A 41 -6.004 -3.235 10.037 1.00 73.13 H new ATOM 0 HB3 GLU A 41 -4.532 -3.242 10.988 1.00 73.13 H new ATOM 0 HG2 GLU A 41 -6.432 -5.518 10.408 1.00 71.10 H new ATOM 0 HG3 GLU A 41 -4.688 -5.468 10.248 1.00 71.10 H new ATOM 697 N MET A 42 -7.608 -0.976 11.594 1.00 54.05 N ATOM 698 CA MET A 42 -7.801 0.478 11.407 1.00 54.02 C ATOM 699 C MET A 42 -7.882 1.224 12.740 1.00 32.33 C ATOM 700 O MET A 42 -7.408 2.364 12.811 1.00 23.34 O ATOM 701 CB MET A 42 -9.023 0.818 10.508 1.00 5.00 C ATOM 702 CG MET A 42 -8.771 0.579 9.012 1.00 11.50 C ATOM 703 SD MET A 42 -7.186 1.271 8.460 1.00 71.51 S ATOM 704 CE MET A 42 -7.359 3.024 8.806 1.00 73.31 C ATOM 0 H MET A 42 -8.422 -1.539 11.348 1.00 54.05 H new ATOM 0 HA MET A 42 -6.912 0.826 10.880 1.00 54.02 H new ATOM 0 HB2 MET A 42 -9.875 0.217 10.825 1.00 5.00 H new ATOM 0 HB3 MET A 42 -9.296 1.862 10.660 1.00 5.00 H new ATOM 0 HG2 MET A 42 -8.787 -0.492 8.810 1.00 11.50 H new ATOM 0 HG3 MET A 42 -9.580 1.025 8.434 1.00 11.50 H new ATOM 0 HE1 MET A 42 -7.207 3.593 7.889 1.00 73.31 H new ATOM 0 HE2 MET A 42 -8.358 3.221 9.194 1.00 73.31 H new ATOM 0 HE3 MET A 42 -6.617 3.324 9.546 1.00 73.31 H new ATOM 714 N LYS A 43 -8.487 0.608 13.790 1.00 60.42 N ATOM 715 CA LYS A 43 -8.409 1.178 15.156 1.00 41.42 C ATOM 716 C LYS A 43 -6.943 1.277 15.585 1.00 54.43 C ATOM 717 O LYS A 43 -6.534 2.288 16.131 1.00 10.52 O ATOM 718 CB LYS A 43 -9.196 0.380 16.241 1.00 23.10 C ATOM 719 CG LYS A 43 -10.734 0.610 16.263 1.00 31.44 C ATOM 720 CD LYS A 43 -11.533 -0.321 15.330 1.00 24.41 C ATOM 721 CE LYS A 43 -11.701 -1.760 15.877 1.00 42.04 C ATOM 722 NZ LYS A 43 -10.407 -2.457 16.132 1.00 44.21 N ATOM 0 H LYS A 43 -9.019 -0.259 13.719 1.00 60.42 H new ATOM 0 HA LYS A 43 -8.881 2.158 15.092 1.00 41.42 H new ATOM 0 HB2 LYS A 43 -9.008 -0.683 16.092 1.00 23.10 H new ATOM 0 HB3 LYS A 43 -8.794 0.640 17.220 1.00 23.10 H new ATOM 0 HG2 LYS A 43 -11.094 0.477 17.283 1.00 31.44 H new ATOM 0 HG3 LYS A 43 -10.938 1.644 15.985 1.00 31.44 H new ATOM 0 HD2 LYS A 43 -12.519 0.110 15.160 1.00 24.41 H new ATOM 0 HD3 LYS A 43 -11.033 -0.366 14.362 1.00 24.41 H new ATOM 0 HE2 LYS A 43 -12.273 -1.723 16.804 1.00 42.04 H new ATOM 0 HE3 LYS A 43 -12.285 -2.344 15.166 1.00 42.04 H new ATOM 0 HZ1 LYS A 43 -10.586 -3.465 16.315 1.00 44.21 H new ATOM 0 HZ2 LYS A 43 -9.791 -2.361 15.300 1.00 44.21 H new ATOM 0 HZ3 LYS A 43 -9.941 -2.032 16.959 1.00 44.21 H new ATOM 736 N LYS A 44 -6.168 0.206 15.308 1.00 20.40 N ATOM 737 CA LYS A 44 -4.744 0.118 15.678 1.00 11.25 C ATOM 738 C LYS A 44 -3.947 1.248 15.009 1.00 61.23 C ATOM 739 O LYS A 44 -3.422 2.112 15.702 1.00 11.34 O ATOM 740 CB LYS A 44 -4.170 -1.280 15.302 1.00 31.11 C ATOM 741 CG LYS A 44 -4.876 -2.508 15.950 1.00 74.31 C ATOM 742 CD LYS A 44 -4.616 -2.677 17.484 1.00 40.43 C ATOM 743 CE LYS A 44 -5.509 -1.799 18.384 1.00 1.33 C ATOM 744 NZ LYS A 44 -5.219 -1.999 19.827 1.00 23.20 N ATOM 0 H LYS A 44 -6.515 -0.621 14.821 1.00 20.40 H new ATOM 0 HA LYS A 44 -4.652 0.237 16.758 1.00 11.25 H new ATOM 0 HB2 LYS A 44 -4.217 -1.390 14.219 1.00 31.11 H new ATOM 0 HB3 LYS A 44 -3.116 -1.304 15.580 1.00 31.11 H new ATOM 0 HG2 LYS A 44 -5.950 -2.422 15.785 1.00 74.31 H new ATOM 0 HG3 LYS A 44 -4.546 -3.412 15.438 1.00 74.31 H new ATOM 0 HD2 LYS A 44 -4.768 -3.723 17.752 1.00 40.43 H new ATOM 0 HD3 LYS A 44 -3.572 -2.443 17.691 1.00 40.43 H new ATOM 0 HE2 LYS A 44 -5.361 -0.750 18.127 1.00 1.33 H new ATOM 0 HE3 LYS A 44 -6.556 -2.030 18.190 1.00 1.33 H new ATOM 0 HZ1 LYS A 44 -5.842 -1.389 20.394 1.00 23.20 H new ATOM 0 HZ2 LYS A 44 -5.385 -2.994 20.080 1.00 23.20 H new ATOM 0 HZ3 LYS A 44 -4.227 -1.754 20.019 1.00 23.20 H new ATOM 758 N LEU A 45 -3.954 1.254 13.662 1.00 1.40 N ATOM 759 CA LEU A 45 -3.238 2.233 12.810 1.00 60.21 C ATOM 760 C LEU A 45 -3.633 3.690 13.146 1.00 2.10 C ATOM 761 O LEU A 45 -2.819 4.606 12.981 1.00 12.23 O ATOM 762 CB LEU A 45 -3.527 1.927 11.307 1.00 12.33 C ATOM 763 CG LEU A 45 -3.133 0.494 10.813 1.00 0.03 C ATOM 764 CD1 LEU A 45 -3.708 0.195 9.411 1.00 21.04 C ATOM 765 CD2 LEU A 45 -1.604 0.278 10.857 1.00 54.42 C ATOM 0 H LEU A 45 -4.470 0.562 13.119 1.00 1.40 H new ATOM 0 HA LEU A 45 -2.171 2.134 13.007 1.00 60.21 H new ATOM 0 HB2 LEU A 45 -4.592 2.073 11.125 1.00 12.33 H new ATOM 0 HB3 LEU A 45 -2.996 2.659 10.698 1.00 12.33 H new ATOM 0 HG LEU A 45 -3.582 -0.219 11.504 1.00 0.03 H new ATOM 0 HD11 LEU A 45 -3.413 -0.808 9.103 1.00 21.04 H new ATOM 0 HD12 LEU A 45 -4.796 0.260 9.442 1.00 21.04 H new ATOM 0 HD13 LEU A 45 -3.322 0.922 8.697 1.00 21.04 H new ATOM 0 HD21 LEU A 45 -1.368 -0.727 10.507 1.00 54.42 H new ATOM 0 HD22 LEU A 45 -1.115 1.010 10.214 1.00 54.42 H new ATOM 0 HD23 LEU A 45 -1.249 0.399 11.880 1.00 54.42 H new ATOM 777 N ALA A 46 -4.891 3.883 13.605 1.00 50.32 N ATOM 778 CA ALA A 46 -5.398 5.195 14.039 1.00 24.20 C ATOM 779 C ALA A 46 -4.796 5.605 15.394 1.00 0.33 C ATOM 780 O ALA A 46 -4.322 6.738 15.553 1.00 11.22 O ATOM 781 CB ALA A 46 -6.936 5.192 14.095 1.00 33.33 C ATOM 0 H ALA A 46 -5.577 3.133 13.683 1.00 50.32 H new ATOM 0 HA ALA A 46 -5.086 5.936 13.303 1.00 24.20 H new ATOM 0 HB1 ALA A 46 -7.290 6.171 14.418 1.00 33.33 H new ATOM 0 HB2 ALA A 46 -7.336 4.970 13.106 1.00 33.33 H new ATOM 0 HB3 ALA A 46 -7.273 4.433 14.801 1.00 33.33 H new ATOM 787 N GLU A 47 -4.814 4.669 16.366 1.00 61.53 N ATOM 788 CA GLU A 47 -4.263 4.889 17.724 1.00 72.31 C ATOM 789 C GLU A 47 -2.726 5.019 17.697 1.00 53.44 C ATOM 790 O GLU A 47 -2.127 5.600 18.613 1.00 73.32 O ATOM 791 CB GLU A 47 -4.687 3.747 18.693 1.00 71.21 C ATOM 792 CG GLU A 47 -6.211 3.612 18.920 1.00 74.10 C ATOM 793 CD GLU A 47 -6.884 4.904 19.428 1.00 51.25 C ATOM 794 OE1 GLU A 47 -6.702 5.249 20.613 1.00 12.55 O ATOM 795 OE2 GLU A 47 -7.592 5.584 18.644 1.00 20.42 O ATOM 0 H GLU A 47 -5.211 3.739 16.234 1.00 61.53 H new ATOM 0 HA GLU A 47 -4.677 5.828 18.090 1.00 72.31 H new ATOM 0 HB2 GLU A 47 -4.308 2.802 18.304 1.00 71.21 H new ATOM 0 HB3 GLU A 47 -4.205 3.911 19.657 1.00 71.21 H new ATOM 0 HG2 GLU A 47 -6.683 3.312 17.984 1.00 74.10 H new ATOM 0 HG3 GLU A 47 -6.392 2.813 19.639 1.00 74.10 H new ATOM 802 N GLU A 48 -2.103 4.472 16.641 1.00 74.50 N ATOM 803 CA GLU A 48 -0.654 4.518 16.447 1.00 64.12 C ATOM 804 C GLU A 48 -0.199 5.923 16.014 1.00 25.22 C ATOM 805 O GLU A 48 -0.210 6.260 14.829 1.00 73.41 O ATOM 806 CB GLU A 48 -0.205 3.442 15.426 1.00 74.14 C ATOM 807 CG GLU A 48 -0.341 1.988 15.922 1.00 21.23 C ATOM 808 CD GLU A 48 0.044 0.952 14.855 1.00 20.43 C ATOM 809 OE1 GLU A 48 1.206 0.976 14.415 1.00 61.11 O ATOM 810 OE2 GLU A 48 -0.794 0.114 14.465 1.00 50.42 O ATOM 0 H GLU A 48 -2.599 3.983 15.895 1.00 74.50 H new ATOM 0 HA GLU A 48 -0.175 4.297 17.401 1.00 64.12 H new ATOM 0 HB2 GLU A 48 -0.792 3.557 14.515 1.00 74.14 H new ATOM 0 HB3 GLU A 48 0.836 3.625 15.160 1.00 74.14 H new ATOM 0 HG2 GLU A 48 0.290 1.849 16.800 1.00 21.23 H new ATOM 0 HG3 GLU A 48 -1.369 1.812 16.237 1.00 21.23 H new ATOM 817 N LYS A 49 0.140 6.754 17.011 1.00 32.43 N ATOM 818 CA LYS A 49 0.807 8.057 16.801 1.00 21.13 C ATOM 819 C LYS A 49 2.336 7.858 16.709 1.00 34.31 C ATOM 820 O LYS A 49 3.061 8.754 16.259 1.00 33.03 O ATOM 821 CB LYS A 49 0.449 9.040 17.949 1.00 53.23 C ATOM 822 CG LYS A 49 0.812 8.534 19.359 1.00 73.11 C ATOM 823 CD LYS A 49 0.419 9.527 20.475 1.00 71.21 C ATOM 824 CE LYS A 49 0.818 9.022 21.872 1.00 50.45 C ATOM 825 NZ LYS A 49 2.287 8.815 21.984 1.00 3.25 N ATOM 0 H LYS A 49 -0.040 6.544 17.993 1.00 32.43 H new ATOM 0 HA LYS A 49 0.455 8.487 15.863 1.00 21.13 H new ATOM 0 HB2 LYS A 49 0.961 9.986 17.773 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.621 9.245 17.914 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.314 7.581 19.536 1.00 73.11 H new ATOM 0 HG3 LYS A 49 1.885 8.347 19.407 1.00 73.11 H new ATOM 0 HD2 LYS A 49 0.898 10.488 20.288 1.00 71.21 H new ATOM 0 HD3 LYS A 49 -0.657 9.696 20.446 1.00 71.21 H new ATOM 0 HE2 LYS A 49 0.493 9.740 22.625 1.00 50.45 H new ATOM 0 HE3 LYS A 49 0.302 8.085 22.081 1.00 50.45 H new ATOM 0 HZ1 LYS A 49 2.540 8.657 22.980 1.00 3.25 H new ATOM 0 HZ2 LYS A 49 2.565 7.986 21.420 1.00 3.25 H new ATOM 0 HZ3 LYS A 49 2.784 9.657 21.630 1.00 3.25 H new ATOM 839 N ASN A 50 2.804 6.669 17.161 1.00 75.44 N ATOM 840 CA ASN A 50 4.215 6.266 17.079 1.00 44.53 C ATOM 841 C ASN A 50 4.638 6.078 15.612 1.00 64.05 C ATOM 842 O ASN A 50 3.851 5.597 14.781 1.00 4.43 O ATOM 843 CB ASN A 50 4.457 4.947 17.873 1.00 64.12 C ATOM 844 CG ASN A 50 5.909 4.433 17.818 1.00 42.53 C ATOM 845 OD1 ASN A 50 6.861 5.214 17.777 1.00 12.24 O ATOM 846 ND2 ASN A 50 6.086 3.118 17.811 1.00 21.23 N ATOM 0 H ASN A 50 2.205 5.965 17.593 1.00 75.44 H new ATOM 0 HA ASN A 50 4.819 7.058 17.522 1.00 44.53 H new ATOM 0 HB2 ASN A 50 4.180 5.107 18.915 1.00 64.12 H new ATOM 0 HB3 ASN A 50 3.795 4.174 17.482 1.00 64.12 H new ATOM 0 HD21 ASN A 50 7.029 2.730 17.771 1.00 21.23 H new ATOM 0 HD22 ASN A 50 5.279 2.495 17.846 1.00 21.23 H new ATOM 853 N PHE A 51 5.878 6.478 15.315 1.00 44.33 N ATOM 854 CA PHE A 51 6.491 6.297 14.006 1.00 40.33 C ATOM 855 C PHE A 51 6.911 4.830 13.832 1.00 14.12 C ATOM 856 O PHE A 51 7.727 4.328 14.612 1.00 42.44 O ATOM 857 CB PHE A 51 7.705 7.247 13.859 1.00 14.11 C ATOM 858 CG PHE A 51 8.338 7.242 12.472 1.00 41.12 C ATOM 859 CD1 PHE A 51 7.702 7.880 11.406 1.00 21.12 C ATOM 860 CD2 PHE A 51 9.554 6.599 12.227 1.00 51.02 C ATOM 861 CE1 PHE A 51 8.263 7.876 10.149 1.00 41.13 C ATOM 862 CE2 PHE A 51 10.111 6.598 10.967 1.00 73.44 C ATOM 863 CZ PHE A 51 9.467 7.236 9.931 1.00 12.04 C ATOM 0 H PHE A 51 6.488 6.942 15.989 1.00 44.33 H new ATOM 0 HA PHE A 51 5.771 6.543 13.225 1.00 40.33 H new ATOM 0 HB2 PHE A 51 7.389 8.262 14.098 1.00 14.11 H new ATOM 0 HB3 PHE A 51 8.462 6.968 14.592 1.00 14.11 H new ATOM 0 HD1 PHE A 51 6.760 8.382 11.569 1.00 21.12 H new ATOM 0 HD2 PHE A 51 10.064 6.096 13.036 1.00 51.02 H new ATOM 0 HE1 PHE A 51 7.761 8.374 9.333 1.00 41.13 H new ATOM 0 HE2 PHE A 51 11.052 6.097 10.792 1.00 73.44 H new ATOM 0 HZ PHE A 51 9.905 7.236 8.944 1.00 12.04 H new ATOM 873 N GLU A 52 6.325 4.147 12.831 1.00 21.21 N ATOM 874 CA GLU A 52 6.707 2.773 12.478 1.00 31.14 C ATOM 875 C GLU A 52 6.360 2.478 11.009 1.00 2.01 C ATOM 876 O GLU A 52 5.334 2.936 10.489 1.00 23.43 O ATOM 877 CB GLU A 52 6.043 1.736 13.430 1.00 24.45 C ATOM 878 CG GLU A 52 6.524 0.277 13.226 1.00 14.22 C ATOM 879 CD GLU A 52 8.064 0.123 13.288 1.00 13.23 C ATOM 880 OE1 GLU A 52 8.632 0.180 14.398 1.00 2.21 O ATOM 881 OE2 GLU A 52 8.711 -0.072 12.225 1.00 52.12 O ATOM 0 H GLU A 52 5.580 4.531 12.250 1.00 21.21 H new ATOM 0 HA GLU A 52 7.786 2.682 12.600 1.00 31.14 H new ATOM 0 HB2 GLU A 52 6.240 2.030 14.461 1.00 24.45 H new ATOM 0 HB3 GLU A 52 4.963 1.772 13.290 1.00 24.45 H new ATOM 0 HG2 GLU A 52 6.072 -0.357 13.989 1.00 14.22 H new ATOM 0 HG3 GLU A 52 6.169 -0.083 12.261 1.00 14.22 H new ATOM 888 N LYS A 53 7.245 1.690 10.382 1.00 63.33 N ATOM 889 CA LYS A 53 7.202 1.313 8.969 1.00 64.25 C ATOM 890 C LYS A 53 6.410 0.004 8.816 1.00 11.13 C ATOM 891 O LYS A 53 6.883 -1.069 9.221 1.00 4.30 O ATOM 892 CB LYS A 53 8.658 1.127 8.466 1.00 3.13 C ATOM 893 CG LYS A 53 9.667 2.160 9.017 1.00 12.33 C ATOM 894 CD LYS A 53 11.116 1.905 8.551 1.00 33.54 C ATOM 895 CE LYS A 53 11.593 0.465 8.839 1.00 13.34 C ATOM 896 NZ LYS A 53 11.328 0.023 10.238 1.00 33.24 N ATOM 0 H LYS A 53 8.043 1.283 10.870 1.00 63.33 H new ATOM 0 HA LYS A 53 6.711 2.088 8.380 1.00 64.25 H new ATOM 0 HB2 LYS A 53 8.997 0.127 8.737 1.00 3.13 H new ATOM 0 HB3 LYS A 53 8.662 1.180 7.377 1.00 3.13 H new ATOM 0 HG2 LYS A 53 9.362 3.158 8.704 1.00 12.33 H new ATOM 0 HG3 LYS A 53 9.635 2.144 10.106 1.00 12.33 H new ATOM 0 HD2 LYS A 53 11.188 2.099 7.481 1.00 33.54 H new ATOM 0 HD3 LYS A 53 11.782 2.610 9.049 1.00 33.54 H new ATOM 0 HE2 LYS A 53 11.098 -0.219 8.150 1.00 13.34 H new ATOM 0 HE3 LYS A 53 12.663 0.398 8.641 1.00 13.34 H new ATOM 0 HZ1 LYS A 53 11.562 -0.986 10.333 1.00 33.24 H new ATOM 0 HZ2 LYS A 53 11.914 0.578 10.894 1.00 33.24 H new ATOM 0 HZ3 LYS A 53 10.323 0.168 10.464 1.00 33.24 H new ATOM 910 N ILE A 54 5.201 0.105 8.253 1.00 41.43 N ATOM 911 CA ILE A 54 4.270 -1.024 8.110 1.00 2.12 C ATOM 912 C ILE A 54 3.882 -1.194 6.632 1.00 12.31 C ATOM 913 O ILE A 54 3.434 -0.237 5.989 1.00 13.34 O ATOM 914 CB ILE A 54 2.962 -0.800 8.965 1.00 20.44 C ATOM 915 CG1 ILE A 54 3.310 -0.507 10.461 1.00 3.34 C ATOM 916 CG2 ILE A 54 2.004 -2.014 8.844 1.00 32.32 C ATOM 917 CD1 ILE A 54 2.118 -0.143 11.334 1.00 72.21 C ATOM 0 H ILE A 54 4.836 0.981 7.879 1.00 41.43 H new ATOM 0 HA ILE A 54 4.773 -1.921 8.472 1.00 2.12 H new ATOM 0 HB ILE A 54 2.448 0.074 8.565 1.00 20.44 H new ATOM 0 HG12 ILE A 54 3.798 -1.385 10.885 1.00 3.34 H new ATOM 0 HG13 ILE A 54 4.032 0.308 10.498 1.00 3.34 H new ATOM 0 HG21 ILE A 54 1.111 -1.834 9.443 1.00 32.32 H new ATOM 0 HG22 ILE A 54 1.720 -2.151 7.801 1.00 32.32 H new ATOM 0 HG23 ILE A 54 2.507 -2.912 9.204 1.00 32.32 H new ATOM 0 HD11 ILE A 54 2.457 0.043 12.353 1.00 72.21 H new ATOM 0 HD12 ILE A 54 1.640 0.755 10.941 1.00 72.21 H new ATOM 0 HD13 ILE A 54 1.402 -0.965 11.334 1.00 72.21 H new ATOM 929 N LEU A 55 4.080 -2.403 6.106 1.00 75.44 N ATOM 930 CA LEU A 55 3.544 -2.823 4.807 1.00 13.12 C ATOM 931 C LEU A 55 2.159 -3.442 5.053 1.00 12.12 C ATOM 932 O LEU A 55 2.040 -4.362 5.863 1.00 23.12 O ATOM 933 CB LEU A 55 4.466 -3.883 4.137 1.00 31.22 C ATOM 934 CG LEU A 55 4.112 -4.243 2.655 1.00 52.04 C ATOM 935 CD1 LEU A 55 4.591 -3.131 1.706 1.00 44.53 C ATOM 936 CD2 LEU A 55 4.661 -5.625 2.243 1.00 53.11 C ATOM 0 H LEU A 55 4.623 -3.128 6.574 1.00 75.44 H new ATOM 0 HA LEU A 55 3.483 -1.961 4.142 1.00 13.12 H new ATOM 0 HB2 LEU A 55 5.493 -3.518 4.169 1.00 31.22 H new ATOM 0 HB3 LEU A 55 4.433 -4.796 4.732 1.00 31.22 H new ATOM 0 HG LEU A 55 3.027 -4.312 2.579 1.00 52.04 H new ATOM 0 HD11 LEU A 55 4.338 -3.395 0.679 1.00 44.53 H new ATOM 0 HD12 LEU A 55 4.104 -2.192 1.970 1.00 44.53 H new ATOM 0 HD13 LEU A 55 5.671 -3.017 1.796 1.00 44.53 H new ATOM 0 HD21 LEU A 55 4.390 -5.830 1.207 1.00 53.11 H new ATOM 0 HD22 LEU A 55 5.746 -5.630 2.342 1.00 53.11 H new ATOM 0 HD23 LEU A 55 4.235 -6.393 2.888 1.00 53.11 H new ATOM 948 N ILE A 56 1.113 -2.913 4.402 1.00 1.02 N ATOM 949 CA ILE A 56 -0.229 -3.510 4.447 1.00 21.32 C ATOM 950 C ILE A 56 -0.417 -4.421 3.220 1.00 4.25 C ATOM 951 O ILE A 56 -0.309 -3.969 2.071 1.00 13.44 O ATOM 952 CB ILE A 56 -1.371 -2.431 4.485 1.00 53.45 C ATOM 953 CG1 ILE A 56 -1.207 -1.458 5.707 1.00 35.52 C ATOM 954 CG2 ILE A 56 -2.773 -3.107 4.485 1.00 22.12 C ATOM 955 CD1 ILE A 56 -1.352 -2.102 7.073 1.00 52.42 C ATOM 0 H ILE A 56 1.172 -2.067 3.835 1.00 1.02 H new ATOM 0 HA ILE A 56 -0.303 -4.086 5.370 1.00 21.32 H new ATOM 0 HB ILE A 56 -1.287 -1.829 3.580 1.00 53.45 H new ATOM 0 HG12 ILE A 56 -0.225 -0.989 5.647 1.00 35.52 H new ATOM 0 HG13 ILE A 56 -1.947 -0.662 5.618 1.00 35.52 H new ATOM 0 HG21 ILE A 56 -3.547 -2.340 4.512 1.00 22.12 H new ATOM 0 HG22 ILE A 56 -2.888 -3.707 3.582 1.00 22.12 H new ATOM 0 HG23 ILE A 56 -2.868 -3.748 5.361 1.00 22.12 H new ATOM 0 HD11 ILE A 56 -1.222 -1.346 7.847 1.00 52.42 H new ATOM 0 HD12 ILE A 56 -2.343 -2.546 7.163 1.00 52.42 H new ATOM 0 HD13 ILE A 56 -0.595 -2.877 7.192 1.00 52.42 H new ATOM 967 N LYS A 57 -0.671 -5.703 3.490 1.00 14.04 N ATOM 968 CA LYS A 57 -0.977 -6.723 2.487 1.00 11.03 C ATOM 969 C LYS A 57 -2.500 -6.807 2.330 1.00 14.01 C ATOM 970 O LYS A 57 -3.195 -7.050 3.312 1.00 43.50 O ATOM 971 CB LYS A 57 -0.381 -8.075 2.989 1.00 53.44 C ATOM 972 CG LYS A 57 -0.365 -9.251 1.986 1.00 23.02 C ATOM 973 CD LYS A 57 -1.721 -9.990 1.788 1.00 22.31 C ATOM 974 CE LYS A 57 -1.559 -11.283 0.962 1.00 0.34 C ATOM 975 NZ LYS A 57 -2.851 -11.958 0.684 1.00 33.20 N ATOM 0 H LYS A 57 -0.669 -6.070 4.442 1.00 14.04 H new ATOM 0 HA LYS A 57 -0.545 -6.483 1.515 1.00 11.03 H new ATOM 0 HB2 LYS A 57 0.643 -7.893 3.314 1.00 53.44 H new ATOM 0 HB3 LYS A 57 -0.944 -8.388 3.868 1.00 53.44 H new ATOM 0 HG2 LYS A 57 -0.033 -8.874 1.018 1.00 23.02 H new ATOM 0 HG3 LYS A 57 0.378 -9.977 2.317 1.00 23.02 H new ATOM 0 HD2 LYS A 57 -2.147 -10.233 2.761 1.00 22.31 H new ATOM 0 HD3 LYS A 57 -2.426 -9.326 1.288 1.00 22.31 H new ATOM 0 HE2 LYS A 57 -1.069 -11.046 0.018 1.00 0.34 H new ATOM 0 HE3 LYS A 57 -0.904 -11.970 1.497 1.00 0.34 H new ATOM 0 HZ1 LYS A 57 -2.672 -12.884 0.247 1.00 33.20 H new ATOM 0 HZ2 LYS A 57 -3.372 -12.090 1.574 1.00 33.20 H new ATOM 0 HZ3 LYS A 57 -3.416 -11.373 0.036 1.00 33.20 H new ATOM 989 N SER A 58 -3.007 -6.598 1.110 1.00 34.30 N ATOM 990 CA SER A 58 -4.441 -6.755 0.809 1.00 23.30 C ATOM 991 C SER A 58 -4.643 -6.982 -0.694 1.00 42.32 C ATOM 992 O SER A 58 -3.988 -6.349 -1.528 1.00 4.34 O ATOM 993 CB SER A 58 -5.239 -5.525 1.294 1.00 54.51 C ATOM 994 OG SER A 58 -6.633 -5.675 1.066 1.00 21.34 O ATOM 0 H SER A 58 -2.444 -6.318 0.307 1.00 34.30 H new ATOM 0 HA SER A 58 -4.816 -7.628 1.343 1.00 23.30 H new ATOM 0 HB2 SER A 58 -5.059 -5.372 2.358 1.00 54.51 H new ATOM 0 HB3 SER A 58 -4.881 -4.634 0.779 1.00 54.51 H new ATOM 0 HG SER A 58 -7.105 -4.878 1.387 1.00 21.34 H new ATOM 1000 N ASN A 59 -5.557 -7.902 -1.026 1.00 54.34 N ATOM 1001 CA ASN A 59 -5.853 -8.303 -2.412 1.00 14.34 C ATOM 1002 C ASN A 59 -7.127 -7.593 -2.911 1.00 0.22 C ATOM 1003 O ASN A 59 -7.385 -7.543 -4.123 1.00 52.54 O ATOM 1004 CB ASN A 59 -6.012 -9.853 -2.494 1.00 41.03 C ATOM 1005 CG ASN A 59 -4.747 -10.634 -2.091 1.00 3.12 C ATOM 1006 OD1 ASN A 59 -3.957 -10.196 -1.259 1.00 12.45 O ATOM 1007 ND2 ASN A 59 -4.569 -11.815 -2.658 1.00 24.42 N ATOM 0 H ASN A 59 -6.120 -8.396 -0.334 1.00 54.34 H new ATOM 0 HA ASN A 59 -5.025 -8.006 -3.055 1.00 14.34 H new ATOM 0 HB2 ASN A 59 -6.836 -10.158 -1.849 1.00 41.03 H new ATOM 0 HB3 ASN A 59 -6.286 -10.127 -3.513 1.00 41.03 H new ATOM 0 HD21 ASN A 59 -3.761 -12.385 -2.407 1.00 24.42 H new ATOM 0 HD22 ASN A 59 -5.240 -12.156 -3.346 1.00 24.42 H new ATOM 1014 N ASP A 60 -7.920 -7.034 -1.969 1.00 14.43 N ATOM 1015 CA ASP A 60 -9.190 -6.348 -2.283 1.00 55.44 C ATOM 1016 C ASP A 60 -8.958 -4.831 -2.384 1.00 62.13 C ATOM 1017 O ASP A 60 -8.354 -4.227 -1.501 1.00 30.22 O ATOM 1018 CB ASP A 60 -10.273 -6.663 -1.223 1.00 13.21 C ATOM 1019 CG ASP A 60 -11.641 -6.039 -1.574 1.00 51.42 C ATOM 1020 OD1 ASP A 60 -12.387 -6.639 -2.373 1.00 0.44 O ATOM 1021 OD2 ASP A 60 -11.956 -4.932 -1.086 1.00 24.33 O ATOM 0 H ASP A 60 -7.697 -7.047 -0.974 1.00 14.43 H new ATOM 0 HA ASP A 60 -9.549 -6.716 -3.244 1.00 55.44 H new ATOM 0 HB2 ASP A 60 -10.383 -7.743 -1.130 1.00 13.21 H new ATOM 0 HB3 ASP A 60 -9.946 -6.291 -0.252 1.00 13.21 H new ATOM 1026 N LYS A 61 -9.478 -4.245 -3.467 1.00 65.23 N ATOM 1027 CA LYS A 61 -9.225 -2.847 -3.868 1.00 13.22 C ATOM 1028 C LYS A 61 -10.071 -1.845 -3.059 1.00 44.01 C ATOM 1029 O LYS A 61 -9.640 -0.710 -2.823 1.00 31.54 O ATOM 1030 CB LYS A 61 -9.487 -2.733 -5.398 1.00 3.24 C ATOM 1031 CG LYS A 61 -8.643 -3.740 -6.211 1.00 25.13 C ATOM 1032 CD LYS A 61 -8.892 -3.729 -7.735 1.00 32.23 C ATOM 1033 CE LYS A 61 -8.013 -4.779 -8.455 1.00 63.50 C ATOM 1034 NZ LYS A 61 -8.389 -4.972 -9.875 1.00 24.13 N ATOM 0 H LYS A 61 -10.102 -4.736 -4.108 1.00 65.23 H new ATOM 0 HA LYS A 61 -8.189 -2.587 -3.651 1.00 13.22 H new ATOM 0 HB2 LYS A 61 -10.545 -2.904 -5.597 1.00 3.24 H new ATOM 0 HB3 LYS A 61 -9.260 -1.720 -5.729 1.00 3.24 H new ATOM 0 HG2 LYS A 61 -7.588 -3.534 -6.030 1.00 25.13 H new ATOM 0 HG3 LYS A 61 -8.841 -4.743 -5.834 1.00 25.13 H new ATOM 0 HD2 LYS A 61 -9.944 -3.933 -7.935 1.00 32.23 H new ATOM 0 HD3 LYS A 61 -8.678 -2.737 -8.134 1.00 32.23 H new ATOM 0 HE2 LYS A 61 -6.969 -4.470 -8.400 1.00 63.50 H new ATOM 0 HE3 LYS A 61 -8.092 -5.732 -7.931 1.00 63.50 H new ATOM 0 HZ1 LYS A 61 -7.563 -5.309 -10.410 1.00 24.13 H new ATOM 0 HZ2 LYS A 61 -9.153 -5.674 -9.939 1.00 24.13 H new ATOM 0 HZ3 LYS A 61 -8.715 -4.068 -10.274 1.00 24.13 H new ATOM 1048 N GLN A 62 -11.259 -2.291 -2.610 1.00 55.12 N ATOM 1049 CA GLN A 62 -12.214 -1.438 -1.870 1.00 54.21 C ATOM 1050 C GLN A 62 -11.676 -1.099 -0.473 1.00 64.24 C ATOM 1051 O GLN A 62 -11.810 0.037 -0.016 1.00 73.34 O ATOM 1052 CB GLN A 62 -13.595 -2.140 -1.756 1.00 71.35 C ATOM 1053 CG GLN A 62 -14.389 -2.235 -3.073 1.00 44.02 C ATOM 1054 CD GLN A 62 -15.018 -0.899 -3.477 1.00 75.11 C ATOM 1055 OE1 GLN A 62 -14.426 -0.100 -4.201 1.00 72.24 O ATOM 1056 NE2 GLN A 62 -16.232 -0.654 -3.003 1.00 34.11 N ATOM 0 H GLN A 62 -11.585 -3.248 -2.748 1.00 55.12 H new ATOM 0 HA GLN A 62 -12.337 -0.509 -2.426 1.00 54.21 H new ATOM 0 HB2 GLN A 62 -13.443 -3.147 -1.368 1.00 71.35 H new ATOM 0 HB3 GLN A 62 -14.199 -1.604 -1.023 1.00 71.35 H new ATOM 0 HG2 GLN A 62 -13.727 -2.576 -3.869 1.00 44.02 H new ATOM 0 HG3 GLN A 62 -15.173 -2.985 -2.967 1.00 44.02 H new ATOM 0 HE21 GLN A 62 -16.694 -1.339 -2.405 1.00 34.11 H new ATOM 0 HE22 GLN A 62 -16.704 0.220 -3.236 1.00 34.11 H new ATOM 1065 N LEU A 63 -11.047 -2.103 0.175 1.00 23.53 N ATOM 1066 CA LEU A 63 -10.535 -1.994 1.562 1.00 72.33 C ATOM 1067 C LEU A 63 -9.555 -0.819 1.739 1.00 31.11 C ATOM 1068 O LEU A 63 -9.599 -0.115 2.750 1.00 42.31 O ATOM 1069 CB LEU A 63 -9.857 -3.326 1.992 1.00 4.12 C ATOM 1070 CG LEU A 63 -10.790 -4.574 2.011 1.00 31.13 C ATOM 1071 CD1 LEU A 63 -10.033 -5.848 2.424 1.00 2.33 C ATOM 1072 CD2 LEU A 63 -12.029 -4.335 2.899 1.00 62.35 C ATOM 0 H LEU A 63 -10.879 -3.015 -0.249 1.00 23.53 H new ATOM 0 HA LEU A 63 -11.393 -1.797 2.204 1.00 72.33 H new ATOM 0 HB2 LEU A 63 -9.025 -3.525 1.316 1.00 4.12 H new ATOM 0 HB3 LEU A 63 -9.434 -3.194 2.988 1.00 4.12 H new ATOM 0 HG LEU A 63 -11.143 -4.730 0.992 1.00 31.13 H new ATOM 0 HD11 LEU A 63 -10.719 -6.695 2.425 1.00 2.33 H new ATOM 0 HD12 LEU A 63 -9.225 -6.036 1.717 1.00 2.33 H new ATOM 0 HD13 LEU A 63 -9.618 -5.717 3.423 1.00 2.33 H new ATOM 0 HD21 LEU A 63 -12.659 -5.224 2.891 1.00 62.35 H new ATOM 0 HD22 LEU A 63 -11.710 -4.126 3.920 1.00 62.35 H new ATOM 0 HD23 LEU A 63 -12.594 -3.486 2.514 1.00 62.35 H new ATOM 1084 N LEU A 64 -8.693 -0.612 0.732 1.00 0.41 N ATOM 1085 CA LEU A 64 -7.652 0.435 0.758 1.00 42.54 C ATOM 1086 C LEU A 64 -8.271 1.833 0.611 1.00 50.13 C ATOM 1087 O LEU A 64 -7.744 2.804 1.152 1.00 32.12 O ATOM 1088 CB LEU A 64 -6.572 0.178 -0.333 1.00 73.30 C ATOM 1089 CG LEU A 64 -5.597 -1.019 -0.049 1.00 71.51 C ATOM 1090 CD1 LEU A 64 -6.317 -2.373 -0.039 1.00 22.51 C ATOM 1091 CD2 LEU A 64 -4.432 -1.042 -1.038 1.00 65.53 C ATOM 0 H LEU A 64 -8.695 -1.165 -0.125 1.00 0.41 H new ATOM 0 HA LEU A 64 -7.158 0.392 1.729 1.00 42.54 H new ATOM 0 HB2 LEU A 64 -7.076 -0.004 -1.282 1.00 73.30 H new ATOM 0 HB3 LEU A 64 -5.980 1.085 -0.455 1.00 73.30 H new ATOM 0 HG LEU A 64 -5.197 -0.854 0.951 1.00 71.51 H new ATOM 0 HD11 LEU A 64 -5.597 -3.166 0.162 1.00 22.51 H new ATOM 0 HD12 LEU A 64 -7.082 -2.372 0.737 1.00 22.51 H new ATOM 0 HD13 LEU A 64 -6.784 -2.544 -1.009 1.00 22.51 H new ATOM 0 HD21 LEU A 64 -3.778 -1.884 -0.810 1.00 65.53 H new ATOM 0 HD22 LEU A 64 -4.818 -1.146 -2.052 1.00 65.53 H new ATOM 0 HD23 LEU A 64 -3.868 -0.113 -0.958 1.00 65.53 H new ATOM 1103 N LYS A 65 -9.398 1.918 -0.116 1.00 50.50 N ATOM 1104 CA LYS A 65 -10.162 3.167 -0.272 1.00 24.14 C ATOM 1105 C LYS A 65 -10.764 3.591 1.082 1.00 25.25 C ATOM 1106 O LYS A 65 -10.585 4.735 1.520 1.00 1.05 O ATOM 1107 CB LYS A 65 -11.283 2.965 -1.317 1.00 75.22 C ATOM 1108 CG LYS A 65 -10.787 2.544 -2.717 1.00 41.14 C ATOM 1109 CD LYS A 65 -11.944 2.107 -3.648 1.00 70.52 C ATOM 1110 CE LYS A 65 -12.990 3.211 -3.868 1.00 4.34 C ATOM 1111 NZ LYS A 65 -14.164 2.724 -4.636 1.00 35.42 N ATOM 0 H LYS A 65 -9.804 1.124 -0.611 1.00 50.50 H new ATOM 0 HA LYS A 65 -9.493 3.955 -0.617 1.00 24.14 H new ATOM 0 HB2 LYS A 65 -11.974 2.207 -0.948 1.00 75.22 H new ATOM 0 HB3 LYS A 65 -11.847 3.893 -1.410 1.00 75.22 H new ATOM 0 HG2 LYS A 65 -10.251 3.376 -3.174 1.00 41.14 H new ATOM 0 HG3 LYS A 65 -10.076 1.724 -2.616 1.00 41.14 H new ATOM 0 HD2 LYS A 65 -11.533 1.807 -4.612 1.00 70.52 H new ATOM 0 HD3 LYS A 65 -12.433 1.231 -3.223 1.00 70.52 H new ATOM 0 HE2 LYS A 65 -13.322 3.593 -2.902 1.00 4.34 H new ATOM 0 HE3 LYS A 65 -12.530 4.044 -4.399 1.00 4.34 H new ATOM 0 HZ1 LYS A 65 -15.020 3.220 -4.314 1.00 35.42 H new ATOM 0 HZ2 LYS A 65 -14.017 2.909 -5.649 1.00 35.42 H new ATOM 0 HZ3 LYS A 65 -14.278 1.702 -4.484 1.00 35.42 H new ATOM 1125 N GLU A 66 -11.438 2.625 1.742 1.00 34.05 N ATOM 1126 CA GLU A 66 -12.090 2.821 3.055 1.00 62.42 C ATOM 1127 C GLU A 66 -11.049 3.221 4.119 1.00 51.05 C ATOM 1128 O GLU A 66 -11.317 4.042 5.007 1.00 34.43 O ATOM 1129 CB GLU A 66 -12.818 1.519 3.510 1.00 64.21 C ATOM 1130 CG GLU A 66 -13.704 0.837 2.443 1.00 61.24 C ATOM 1131 CD GLU A 66 -14.708 1.787 1.766 1.00 64.45 C ATOM 1132 OE1 GLU A 66 -15.690 2.201 2.428 1.00 40.50 O ATOM 1133 OE2 GLU A 66 -14.541 2.098 0.561 1.00 14.32 O ATOM 0 H GLU A 66 -11.546 1.679 1.376 1.00 34.05 H new ATOM 0 HA GLU A 66 -12.823 3.620 2.949 1.00 62.42 H new ATOM 0 HB2 GLU A 66 -12.067 0.803 3.844 1.00 64.21 H new ATOM 0 HB3 GLU A 66 -13.439 1.755 4.374 1.00 64.21 H new ATOM 0 HG2 GLU A 66 -13.063 0.398 1.679 1.00 61.24 H new ATOM 0 HG3 GLU A 66 -14.251 0.018 2.909 1.00 61.24 H new ATOM 1140 N MET A 67 -9.858 2.617 3.980 1.00 34.12 N ATOM 1141 CA MET A 67 -8.705 2.832 4.854 1.00 44.21 C ATOM 1142 C MET A 67 -8.228 4.295 4.768 1.00 23.41 C ATOM 1143 O MET A 67 -8.063 4.953 5.794 1.00 2.31 O ATOM 1144 CB MET A 67 -7.564 1.875 4.427 1.00 64.02 C ATOM 1145 CG MET A 67 -6.344 1.864 5.352 1.00 54.33 C ATOM 1146 SD MET A 67 -4.951 0.951 4.669 1.00 33.23 S ATOM 1147 CE MET A 67 -5.649 -0.683 4.453 1.00 51.41 C ATOM 0 H MET A 67 -9.670 1.947 3.234 1.00 34.12 H new ATOM 0 HA MET A 67 -8.991 2.627 5.886 1.00 44.21 H new ATOM 0 HB2 MET A 67 -7.964 0.863 4.367 1.00 64.02 H new ATOM 0 HB3 MET A 67 -7.237 2.149 3.424 1.00 64.02 H new ATOM 0 HG2 MET A 67 -6.036 2.891 5.550 1.00 54.33 H new ATOM 0 HG3 MET A 67 -6.625 1.425 6.309 1.00 54.33 H new ATOM 0 HE1 MET A 67 -5.127 -1.198 3.646 1.00 51.41 H new ATOM 0 HE2 MET A 67 -5.539 -1.251 5.377 1.00 51.41 H new ATOM 0 HE3 MET A 67 -6.707 -0.597 4.204 1.00 51.41 H new ATOM 1157 N LEU A 68 -8.052 4.792 3.522 1.00 1.45 N ATOM 1158 CA LEU A 68 -7.508 6.143 3.243 1.00 41.05 C ATOM 1159 C LEU A 68 -8.462 7.273 3.683 1.00 33.31 C ATOM 1160 O LEU A 68 -8.029 8.411 3.874 1.00 10.31 O ATOM 1161 CB LEU A 68 -7.153 6.281 1.736 1.00 43.31 C ATOM 1162 CG LEU A 68 -5.951 5.412 1.247 1.00 3.32 C ATOM 1163 CD1 LEU A 68 -5.745 5.540 -0.272 1.00 72.02 C ATOM 1164 CD2 LEU A 68 -4.655 5.760 2.014 1.00 65.32 C ATOM 0 H LEU A 68 -8.284 4.267 2.679 1.00 1.45 H new ATOM 0 HA LEU A 68 -6.601 6.251 3.838 1.00 41.05 H new ATOM 0 HB2 LEU A 68 -8.032 6.018 1.148 1.00 43.31 H new ATOM 0 HB3 LEU A 68 -6.931 7.328 1.527 1.00 43.31 H new ATOM 0 HG LEU A 68 -6.195 4.372 1.461 1.00 3.32 H new ATOM 0 HD11 LEU A 68 -4.901 4.922 -0.578 1.00 72.02 H new ATOM 0 HD12 LEU A 68 -6.644 5.208 -0.790 1.00 72.02 H new ATOM 0 HD13 LEU A 68 -5.544 6.581 -0.525 1.00 72.02 H new ATOM 0 HD21 LEU A 68 -3.838 5.137 1.649 1.00 65.32 H new ATOM 0 HD22 LEU A 68 -4.409 6.810 1.856 1.00 65.32 H new ATOM 0 HD23 LEU A 68 -4.802 5.578 3.079 1.00 65.32 H new ATOM 1176 N GLU A 69 -9.760 6.954 3.838 1.00 35.24 N ATOM 1177 CA GLU A 69 -10.759 7.910 4.355 1.00 34.34 C ATOM 1178 C GLU A 69 -10.560 8.132 5.864 1.00 21.22 C ATOM 1179 O GLU A 69 -10.799 9.230 6.382 1.00 64.04 O ATOM 1180 CB GLU A 69 -12.188 7.409 4.047 1.00 53.22 C ATOM 1181 CG GLU A 69 -12.475 7.282 2.542 1.00 41.44 C ATOM 1182 CD GLU A 69 -13.904 6.815 2.241 1.00 13.02 C ATOM 1183 OE1 GLU A 69 -14.811 7.677 2.145 1.00 0.43 O ATOM 1184 OE2 GLU A 69 -14.133 5.592 2.131 1.00 40.11 O ATOM 0 H GLU A 69 -10.144 6.037 3.611 1.00 35.24 H new ATOM 0 HA GLU A 69 -10.622 8.869 3.855 1.00 34.34 H new ATOM 0 HB2 GLU A 69 -12.336 6.439 4.521 1.00 53.22 H new ATOM 0 HB3 GLU A 69 -12.910 8.094 4.491 1.00 53.22 H new ATOM 0 HG2 GLU A 69 -12.306 8.246 2.063 1.00 41.44 H new ATOM 0 HG3 GLU A 69 -11.769 6.579 2.101 1.00 41.44 H new ATOM 1191 N LEU A 70 -10.097 7.076 6.550 1.00 22.01 N ATOM 1192 CA LEU A 70 -9.794 7.109 7.986 1.00 33.53 C ATOM 1193 C LEU A 70 -8.380 7.689 8.219 1.00 71.54 C ATOM 1194 O LEU A 70 -8.148 8.410 9.201 1.00 41.30 O ATOM 1195 CB LEU A 70 -9.912 5.680 8.571 1.00 2.42 C ATOM 1196 CG LEU A 70 -11.278 4.957 8.335 1.00 53.15 C ATOM 1197 CD1 LEU A 70 -11.252 3.521 8.886 1.00 50.21 C ATOM 1198 CD2 LEU A 70 -12.454 5.765 8.924 1.00 33.33 C ATOM 0 H LEU A 70 -9.921 6.168 6.119 1.00 22.01 H new ATOM 0 HA LEU A 70 -10.510 7.754 8.495 1.00 33.53 H new ATOM 0 HB2 LEU A 70 -9.119 5.066 8.143 1.00 2.42 H new ATOM 0 HB3 LEU A 70 -9.731 5.732 9.645 1.00 2.42 H new ATOM 0 HG LEU A 70 -11.434 4.894 7.258 1.00 53.15 H new ATOM 0 HD11 LEU A 70 -12.216 3.045 8.707 1.00 50.21 H new ATOM 0 HD12 LEU A 70 -10.468 2.953 8.385 1.00 50.21 H new ATOM 0 HD13 LEU A 70 -11.054 3.546 9.957 1.00 50.21 H new ATOM 0 HD21 LEU A 70 -13.388 5.233 8.742 1.00 33.33 H new ATOM 0 HD22 LEU A 70 -12.310 5.888 9.997 1.00 33.33 H new ATOM 0 HD23 LEU A 70 -12.496 6.745 8.449 1.00 33.33 H new ATOM 1210 N ILE A 71 -7.446 7.377 7.287 1.00 43.11 N ATOM 1211 CA ILE A 71 -6.056 7.891 7.306 1.00 74.35 C ATOM 1212 C ILE A 71 -6.037 9.410 7.038 1.00 13.22 C ATOM 1213 O ILE A 71 -5.126 10.113 7.489 1.00 33.13 O ATOM 1214 CB ILE A 71 -5.133 7.122 6.269 1.00 33.21 C ATOM 1215 CG1 ILE A 71 -4.993 5.613 6.667 1.00 0.44 C ATOM 1216 CG2 ILE A 71 -3.735 7.783 6.122 1.00 64.10 C ATOM 1217 CD1 ILE A 71 -4.096 4.784 5.753 1.00 41.41 C ATOM 0 H ILE A 71 -7.638 6.759 6.498 1.00 43.11 H new ATOM 0 HA ILE A 71 -5.649 7.709 8.301 1.00 74.35 H new ATOM 0 HB ILE A 71 -5.621 7.185 5.296 1.00 33.21 H new ATOM 0 HG12 ILE A 71 -4.602 5.556 7.683 1.00 0.44 H new ATOM 0 HG13 ILE A 71 -5.986 5.163 6.681 1.00 0.44 H new ATOM 0 HG21 ILE A 71 -3.141 7.221 5.402 1.00 64.10 H new ATOM 0 HG22 ILE A 71 -3.852 8.809 5.773 1.00 64.10 H new ATOM 0 HG23 ILE A 71 -3.230 7.784 7.088 1.00 64.10 H new ATOM 0 HD11 ILE A 71 -4.063 3.755 6.111 1.00 41.41 H new ATOM 0 HD12 ILE A 71 -4.494 4.803 4.738 1.00 41.41 H new ATOM 0 HD13 ILE A 71 -3.089 5.201 5.756 1.00 41.41 H new ATOM 1229 N SER A 72 -7.067 9.904 6.325 1.00 1.43 N ATOM 1230 CA SER A 72 -7.257 11.342 6.046 1.00 1.44 C ATOM 1231 C SER A 72 -7.281 12.174 7.352 1.00 42.21 C ATOM 1232 O SER A 72 -6.775 13.303 7.391 1.00 64.13 O ATOM 1233 CB SER A 72 -8.568 11.535 5.249 1.00 12.33 C ATOM 1234 OG SER A 72 -8.739 12.880 4.841 1.00 15.23 O ATOM 0 H SER A 72 -7.796 9.314 5.924 1.00 1.43 H new ATOM 0 HA SER A 72 -6.415 11.699 5.454 1.00 1.44 H new ATOM 0 HB2 SER A 72 -8.560 10.887 4.373 1.00 12.33 H new ATOM 0 HB3 SER A 72 -9.416 11.230 5.863 1.00 12.33 H new ATOM 0 HG SER A 72 -9.576 12.966 4.339 1.00 15.23 H new ATOM 1240 N LYS A 73 -7.854 11.579 8.415 1.00 62.34 N ATOM 1241 CA LYS A 73 -7.964 12.209 9.746 1.00 14.22 C ATOM 1242 C LYS A 73 -6.608 12.192 10.485 1.00 41.13 C ATOM 1243 O LYS A 73 -6.334 13.060 11.326 1.00 73.41 O ATOM 1244 CB LYS A 73 -9.026 11.456 10.588 1.00 24.01 C ATOM 1245 CG LYS A 73 -10.426 11.366 9.941 1.00 4.53 C ATOM 1246 CD LYS A 73 -11.072 12.753 9.688 1.00 54.53 C ATOM 1247 CE LYS A 73 -12.538 12.646 9.225 1.00 33.12 C ATOM 1248 NZ LYS A 73 -13.394 11.999 10.257 1.00 4.22 N ATOM 0 H LYS A 73 -8.256 10.642 8.375 1.00 62.34 H new ATOM 0 HA LYS A 73 -8.265 13.248 9.611 1.00 14.22 H new ATOM 0 HB2 LYS A 73 -8.666 10.446 10.781 1.00 24.01 H new ATOM 0 HB3 LYS A 73 -9.120 11.951 11.555 1.00 24.01 H new ATOM 0 HG2 LYS A 73 -10.348 10.831 8.995 1.00 4.53 H new ATOM 0 HG3 LYS A 73 -11.080 10.780 10.586 1.00 4.53 H new ATOM 0 HD2 LYS A 73 -11.026 13.344 10.603 1.00 54.53 H new ATOM 0 HD3 LYS A 73 -10.494 13.287 8.934 1.00 54.53 H new ATOM 0 HE2 LYS A 73 -12.924 13.641 9.004 1.00 33.12 H new ATOM 0 HE3 LYS A 73 -12.587 12.072 8.300 1.00 33.12 H new ATOM 0 HZ1 LYS A 73 -14.395 12.168 10.033 1.00 4.22 H new ATOM 0 HZ2 LYS A 73 -13.210 10.976 10.269 1.00 4.22 H new ATOM 0 HZ3 LYS A 73 -13.176 12.401 11.191 1.00 4.22 H new ATOM 1262 N LEU A 74 -5.775 11.190 10.156 1.00 54.11 N ATOM 1263 CA LEU A 74 -4.499 10.918 10.846 1.00 22.33 C ATOM 1264 C LEU A 74 -3.362 11.798 10.272 1.00 23.04 C ATOM 1265 O LEU A 74 -2.571 12.380 11.027 1.00 63.13 O ATOM 1266 CB LEU A 74 -4.173 9.408 10.710 1.00 5.14 C ATOM 1267 CG LEU A 74 -5.312 8.435 11.163 1.00 42.12 C ATOM 1268 CD1 LEU A 74 -4.969 6.962 10.844 1.00 3.14 C ATOM 1269 CD2 LEU A 74 -5.655 8.635 12.659 1.00 41.42 C ATOM 0 H LEU A 74 -5.969 10.538 9.396 1.00 54.11 H new ATOM 0 HA LEU A 74 -4.590 11.170 11.902 1.00 22.33 H new ATOM 0 HB2 LEU A 74 -3.931 9.198 9.668 1.00 5.14 H new ATOM 0 HB3 LEU A 74 -3.279 9.192 11.295 1.00 5.14 H new ATOM 0 HG LEU A 74 -6.203 8.682 10.587 1.00 42.12 H new ATOM 0 HD11 LEU A 74 -5.785 6.319 11.174 1.00 3.14 H new ATOM 0 HD12 LEU A 74 -4.827 6.846 9.770 1.00 3.14 H new ATOM 0 HD13 LEU A 74 -4.053 6.681 11.363 1.00 3.14 H new ATOM 0 HD21 LEU A 74 -6.449 7.946 12.945 1.00 41.42 H new ATOM 0 HD22 LEU A 74 -4.770 8.440 13.264 1.00 41.42 H new ATOM 0 HD23 LEU A 74 -5.988 9.660 12.822 1.00 41.42 H new ATOM 1281 N GLY A 75 -3.303 11.887 8.927 1.00 35.44 N ATOM 1282 CA GLY A 75 -2.399 12.796 8.222 1.00 15.13 C ATOM 1283 C GLY A 75 -0.932 12.367 8.255 1.00 40.55 C ATOM 1284 O GLY A 75 -0.107 13.000 8.928 1.00 4.01 O ATOM 0 H GLY A 75 -3.885 11.326 8.305 1.00 35.44 H new ATOM 0 HA2 GLY A 75 -2.720 12.877 7.183 1.00 15.13 H new ATOM 0 HA3 GLY A 75 -2.486 13.790 8.661 1.00 15.13 H new ATOM 1288 N TYR A 76 -0.611 11.278 7.535 1.00 11.55 N ATOM 1289 CA TYR A 76 0.779 10.814 7.331 1.00 33.04 C ATOM 1290 C TYR A 76 0.962 10.297 5.894 1.00 74.43 C ATOM 1291 O TYR A 76 -0.015 9.923 5.227 1.00 54.34 O ATOM 1292 CB TYR A 76 1.180 9.727 8.371 1.00 52.22 C ATOM 1293 CG TYR A 76 0.263 8.494 8.432 1.00 12.01 C ATOM 1294 CD1 TYR A 76 0.459 7.392 7.591 1.00 70.44 C ATOM 1295 CD2 TYR A 76 -0.781 8.418 9.357 1.00 45.02 C ATOM 1296 CE1 TYR A 76 -0.354 6.283 7.665 1.00 31.52 C ATOM 1297 CE2 TYR A 76 -1.586 7.303 9.435 1.00 32.43 C ATOM 1298 CZ TYR A 76 -1.371 6.240 8.593 1.00 13.11 C ATOM 1299 OH TYR A 76 -2.174 5.126 8.686 1.00 33.45 O ATOM 0 H TYR A 76 -1.307 10.691 7.076 1.00 11.55 H new ATOM 0 HA TYR A 76 1.443 11.665 7.483 1.00 33.04 H new ATOM 0 HB2 TYR A 76 2.193 9.393 8.148 1.00 52.22 H new ATOM 0 HB3 TYR A 76 1.206 10.187 9.359 1.00 52.22 H new ATOM 0 HD1 TYR A 76 1.263 7.412 6.870 1.00 70.44 H new ATOM 0 HD2 TYR A 76 -0.960 9.249 10.023 1.00 45.02 H new ATOM 0 HE1 TYR A 76 -0.195 5.449 6.997 1.00 31.52 H new ATOM 0 HE2 TYR A 76 -2.387 7.265 10.159 1.00 32.43 H new ATOM 0 HH TYR A 76 -2.840 5.261 9.392 1.00 33.45 H new ATOM 1309 N LYS A 77 2.231 10.251 5.453 1.00 42.34 N ATOM 1310 CA LYS A 77 2.611 9.883 4.079 1.00 33.24 C ATOM 1311 C LYS A 77 2.370 8.377 3.836 1.00 45.42 C ATOM 1312 O LYS A 77 3.004 7.524 4.477 1.00 70.13 O ATOM 1313 CB LYS A 77 4.108 10.221 3.852 1.00 23.20 C ATOM 1314 CG LYS A 77 4.647 9.949 2.425 1.00 54.42 C ATOM 1315 CD LYS A 77 4.192 10.993 1.386 1.00 43.52 C ATOM 1316 CE LYS A 77 4.686 10.674 -0.036 1.00 71.42 C ATOM 1317 NZ LYS A 77 4.254 11.700 -1.027 1.00 22.33 N ATOM 0 H LYS A 77 3.030 10.471 6.048 1.00 42.34 H new ATOM 0 HA LYS A 77 1.997 10.448 3.378 1.00 33.24 H new ATOM 0 HB2 LYS A 77 4.263 11.274 4.085 1.00 23.20 H new ATOM 0 HB3 LYS A 77 4.703 9.646 4.562 1.00 23.20 H new ATOM 0 HG2 LYS A 77 5.736 9.929 2.455 1.00 54.42 H new ATOM 0 HG3 LYS A 77 4.318 8.961 2.103 1.00 54.42 H new ATOM 0 HD2 LYS A 77 3.103 11.046 1.384 1.00 43.52 H new ATOM 0 HD3 LYS A 77 4.559 11.976 1.681 1.00 43.52 H new ATOM 0 HE2 LYS A 77 5.774 10.609 -0.034 1.00 71.42 H new ATOM 0 HE3 LYS A 77 4.309 9.697 -0.339 1.00 71.42 H new ATOM 0 HZ1 LYS A 77 4.429 11.348 -1.990 1.00 22.33 H new ATOM 0 HZ2 LYS A 77 3.239 11.892 -0.908 1.00 22.33 H new ATOM 0 HZ3 LYS A 77 4.792 12.577 -0.876 1.00 22.33 H new ATOM 1331 N VAL A 78 1.425 8.076 2.931 1.00 63.23 N ATOM 1332 CA VAL A 78 1.094 6.703 2.507 1.00 13.30 C ATOM 1333 C VAL A 78 1.543 6.493 1.052 1.00 22.32 C ATOM 1334 O VAL A 78 1.399 7.397 0.215 1.00 52.31 O ATOM 1335 CB VAL A 78 -0.448 6.417 2.635 1.00 12.43 C ATOM 1336 CG1 VAL A 78 -0.806 4.969 2.218 1.00 14.14 C ATOM 1337 CG2 VAL A 78 -0.938 6.713 4.068 1.00 43.12 C ATOM 0 H VAL A 78 0.861 8.788 2.466 1.00 63.23 H new ATOM 0 HA VAL A 78 1.619 6.008 3.162 1.00 13.30 H new ATOM 0 HB VAL A 78 -0.962 7.086 1.946 1.00 12.43 H new ATOM 0 HG11 VAL A 78 -1.880 4.815 2.322 1.00 14.14 H new ATOM 0 HG12 VAL A 78 -0.515 4.807 1.180 1.00 14.14 H new ATOM 0 HG13 VAL A 78 -0.275 4.264 2.858 1.00 14.14 H new ATOM 0 HG21 VAL A 78 -2.007 6.509 4.137 1.00 43.12 H new ATOM 0 HG22 VAL A 78 -0.402 6.079 4.774 1.00 43.12 H new ATOM 0 HG23 VAL A 78 -0.752 7.760 4.307 1.00 43.12 H new ATOM 1347 N PHE A 79 2.094 5.300 0.771 1.00 23.21 N ATOM 1348 CA PHE A 79 2.567 4.904 -0.560 1.00 45.50 C ATOM 1349 C PHE A 79 1.734 3.703 -1.056 1.00 54.21 C ATOM 1350 O PHE A 79 1.884 2.601 -0.547 1.00 21.22 O ATOM 1351 CB PHE A 79 4.056 4.494 -0.478 1.00 54.30 C ATOM 1352 CG PHE A 79 5.004 5.548 0.091 1.00 33.31 C ATOM 1353 CD1 PHE A 79 5.255 5.622 1.464 1.00 21.12 C ATOM 1354 CD2 PHE A 79 5.668 6.448 -0.749 1.00 24.54 C ATOM 1355 CE1 PHE A 79 6.127 6.559 1.971 1.00 12.00 C ATOM 1356 CE2 PHE A 79 6.542 7.379 -0.234 1.00 11.22 C ATOM 1357 CZ PHE A 79 6.773 7.435 1.122 1.00 21.20 C ATOM 0 H PHE A 79 2.224 4.574 1.476 1.00 23.21 H new ATOM 0 HA PHE A 79 2.458 5.740 -1.251 1.00 45.50 H new ATOM 0 HB2 PHE A 79 4.133 3.595 0.134 1.00 54.30 H new ATOM 0 HB3 PHE A 79 4.396 4.229 -1.479 1.00 54.30 H new ATOM 0 HD1 PHE A 79 4.759 4.936 2.135 1.00 21.12 H new ATOM 0 HD2 PHE A 79 5.493 6.412 -1.814 1.00 24.54 H new ATOM 0 HE1 PHE A 79 6.306 6.609 3.035 1.00 12.00 H new ATOM 0 HE2 PHE A 79 7.048 8.067 -0.895 1.00 11.22 H new ATOM 0 HZ PHE A 79 7.461 8.165 1.522 1.00 21.20 H new ATOM 1367 N LEU A 80 0.874 3.916 -2.055 1.00 40.33 N ATOM 1368 CA LEU A 80 0.030 2.863 -2.646 1.00 40.32 C ATOM 1369 C LEU A 80 0.618 2.407 -3.985 1.00 62.31 C ATOM 1370 O LEU A 80 0.919 3.227 -4.857 1.00 2.43 O ATOM 1371 CB LEU A 80 -1.433 3.364 -2.821 1.00 74.40 C ATOM 1372 CG LEU A 80 -2.427 2.423 -3.612 1.00 25.10 C ATOM 1373 CD1 LEU A 80 -2.408 0.971 -3.099 1.00 33.20 C ATOM 1374 CD2 LEU A 80 -3.865 2.983 -3.590 1.00 15.21 C ATOM 0 H LEU A 80 0.739 4.832 -2.484 1.00 40.33 H new ATOM 0 HA LEU A 80 0.011 2.009 -1.969 1.00 40.32 H new ATOM 0 HB2 LEU A 80 -1.851 3.540 -1.830 1.00 74.40 H new ATOM 0 HB3 LEU A 80 -1.402 4.327 -3.330 1.00 74.40 H new ATOM 0 HG LEU A 80 -2.074 2.404 -4.643 1.00 25.10 H new ATOM 0 HD11 LEU A 80 -3.109 0.371 -3.679 1.00 33.20 H new ATOM 0 HD12 LEU A 80 -1.404 0.560 -3.206 1.00 33.20 H new ATOM 0 HD13 LEU A 80 -2.697 0.953 -2.048 1.00 33.20 H new ATOM 0 HD21 LEU A 80 -4.525 2.314 -4.142 1.00 15.21 H new ATOM 0 HD22 LEU A 80 -4.209 3.062 -2.559 1.00 15.21 H new ATOM 0 HD23 LEU A 80 -3.878 3.969 -4.054 1.00 15.21 H new ATOM 1386 N LEU A 81 0.799 1.090 -4.122 1.00 64.31 N ATOM 1387 CA LEU A 81 1.176 0.450 -5.380 1.00 61.11 C ATOM 1388 C LEU A 81 0.000 -0.381 -5.898 1.00 60.12 C ATOM 1389 O LEU A 81 -0.550 -1.226 -5.174 1.00 4.10 O ATOM 1390 CB LEU A 81 2.419 -0.452 -5.206 1.00 70.10 C ATOM 1391 CG LEU A 81 2.962 -1.105 -6.519 1.00 2.31 C ATOM 1392 CD1 LEU A 81 3.322 -0.036 -7.575 1.00 24.44 C ATOM 1393 CD2 LEU A 81 4.154 -2.024 -6.221 1.00 54.41 C ATOM 0 H LEU A 81 0.686 0.432 -3.351 1.00 64.31 H new ATOM 0 HA LEU A 81 1.428 1.230 -6.099 1.00 61.11 H new ATOM 0 HB2 LEU A 81 3.217 0.140 -4.758 1.00 70.10 H new ATOM 0 HB3 LEU A 81 2.175 -1.245 -4.499 1.00 70.10 H new ATOM 0 HG LEU A 81 2.166 -1.719 -6.940 1.00 2.31 H new ATOM 0 HD11 LEU A 81 3.696 -0.525 -8.475 1.00 24.44 H new ATOM 0 HD12 LEU A 81 2.434 0.546 -7.821 1.00 24.44 H new ATOM 0 HD13 LEU A 81 4.090 0.626 -7.175 1.00 24.44 H new ATOM 0 HD21 LEU A 81 4.514 -2.466 -7.150 1.00 54.41 H new ATOM 0 HD22 LEU A 81 4.954 -1.444 -5.761 1.00 54.41 H new ATOM 0 HD23 LEU A 81 3.842 -2.815 -5.540 1.00 54.41 H new ATOM 1405 N LEU A 82 -0.378 -0.116 -7.147 1.00 34.34 N ATOM 1406 CA LEU A 82 -1.392 -0.869 -7.878 1.00 44.01 C ATOM 1407 C LEU A 82 -0.688 -1.714 -8.945 1.00 65.40 C ATOM 1408 O LEU A 82 -0.011 -1.159 -9.811 1.00 72.43 O ATOM 1409 CB LEU A 82 -2.388 0.112 -8.537 1.00 1.11 C ATOM 1410 CG LEU A 82 -3.195 1.024 -7.565 1.00 70.13 C ATOM 1411 CD1 LEU A 82 -4.068 2.016 -8.347 1.00 71.22 C ATOM 1412 CD2 LEU A 82 -4.039 0.185 -6.573 1.00 0.14 C ATOM 0 H LEU A 82 0.023 0.648 -7.691 1.00 34.34 H new ATOM 0 HA LEU A 82 -1.946 -1.520 -7.202 1.00 44.01 H new ATOM 0 HB2 LEU A 82 -1.836 0.750 -9.227 1.00 1.11 H new ATOM 0 HB3 LEU A 82 -3.095 -0.465 -9.133 1.00 1.11 H new ATOM 0 HG LEU A 82 -2.482 1.600 -6.975 1.00 70.13 H new ATOM 0 HD11 LEU A 82 -4.622 2.642 -7.648 1.00 71.22 H new ATOM 0 HD12 LEU A 82 -3.434 2.644 -8.973 1.00 71.22 H new ATOM 0 HD13 LEU A 82 -4.768 1.467 -8.976 1.00 71.22 H new ATOM 0 HD21 LEU A 82 -4.590 0.852 -5.909 1.00 0.14 H new ATOM 0 HD22 LEU A 82 -4.742 -0.436 -7.128 1.00 0.14 H new ATOM 0 HD23 LEU A 82 -3.380 -0.452 -5.983 1.00 0.14 H new ATOM 1424 N ALA A 83 -0.823 -3.048 -8.865 1.00 53.12 N ATOM 1425 CA ALA A 83 -0.231 -3.974 -9.845 1.00 14.44 C ATOM 1426 C ALA A 83 -1.279 -4.999 -10.293 1.00 1.13 C ATOM 1427 O ALA A 83 -1.690 -5.861 -9.526 1.00 54.25 O ATOM 1428 CB ALA A 83 1.015 -4.658 -9.247 1.00 2.03 C ATOM 0 H ALA A 83 -1.344 -3.514 -8.122 1.00 53.12 H new ATOM 0 HA ALA A 83 0.090 -3.415 -10.724 1.00 14.44 H new ATOM 0 HB1 ALA A 83 1.443 -5.340 -9.981 1.00 2.03 H new ATOM 0 HB2 ALA A 83 1.753 -3.901 -8.981 1.00 2.03 H new ATOM 0 HB3 ALA A 83 0.731 -5.217 -8.355 1.00 2.03 H new ATOM 1434 N ASP A 84 -1.719 -4.899 -11.539 1.00 71.12 N ATOM 1435 CA ASP A 84 -2.765 -5.782 -12.110 1.00 24.10 C ATOM 1436 C ASP A 84 -2.377 -6.090 -13.556 1.00 41.20 C ATOM 1437 O ASP A 84 -1.501 -5.435 -14.119 1.00 52.45 O ATOM 1438 CB ASP A 84 -4.156 -5.064 -12.025 1.00 10.21 C ATOM 1439 CG ASP A 84 -5.398 -5.946 -12.287 1.00 55.41 C ATOM 1440 OD1 ASP A 84 -5.665 -6.294 -13.455 1.00 42.42 O ATOM 1441 OD2 ASP A 84 -6.140 -6.261 -11.330 1.00 71.51 O ATOM 0 H ASP A 84 -1.368 -4.204 -12.198 1.00 71.12 H new ATOM 0 HA ASP A 84 -2.844 -6.716 -11.554 1.00 24.10 H new ATOM 0 HB2 ASP A 84 -4.253 -4.622 -11.033 1.00 10.21 H new ATOM 0 HB3 ASP A 84 -4.162 -4.243 -12.742 1.00 10.21 H new ATOM 1446 N GLN A 85 -3.032 -7.090 -14.150 1.00 51.43 N ATOM 1447 CA GLN A 85 -2.842 -7.450 -15.571 1.00 31.11 C ATOM 1448 C GLN A 85 -3.438 -6.385 -16.529 1.00 20.25 C ATOM 1449 O GLN A 85 -3.257 -6.471 -17.746 1.00 72.02 O ATOM 1450 CB GLN A 85 -3.366 -8.908 -15.860 1.00 42.43 C ATOM 1451 CG GLN A 85 -4.615 -9.423 -15.061 1.00 23.23 C ATOM 1452 CD GLN A 85 -6.007 -9.108 -15.647 1.00 72.34 C ATOM 1453 OE1 GLN A 85 -6.923 -9.929 -15.540 1.00 23.41 O ATOM 1454 NE2 GLN A 85 -6.228 -7.924 -16.195 1.00 22.21 N ATOM 0 H GLN A 85 -3.711 -7.678 -13.666 1.00 51.43 H new ATOM 0 HA GLN A 85 -1.771 -7.456 -15.774 1.00 31.11 H new ATOM 0 HB2 GLN A 85 -3.602 -8.972 -16.922 1.00 42.43 H new ATOM 0 HB3 GLN A 85 -2.544 -9.599 -15.674 1.00 42.43 H new ATOM 0 HG2 GLN A 85 -4.528 -10.505 -14.960 1.00 23.23 H new ATOM 0 HG3 GLN A 85 -4.569 -9.004 -14.056 1.00 23.23 H new ATOM 0 HE21 GLN A 85 -5.466 -7.251 -16.280 1.00 22.21 H new ATOM 0 HE22 GLN A 85 -7.160 -7.684 -16.533 1.00 22.21 H new ATOM 1463 N ASP A 86 -4.149 -5.392 -15.955 1.00 53.02 N ATOM 1464 CA ASP A 86 -4.763 -4.278 -16.702 1.00 5.51 C ATOM 1465 C ASP A 86 -4.459 -2.935 -16.008 1.00 12.54 C ATOM 1466 O ASP A 86 -4.870 -2.706 -14.871 1.00 42.45 O ATOM 1467 CB ASP A 86 -6.297 -4.495 -16.821 1.00 24.24 C ATOM 1468 CG ASP A 86 -7.013 -3.356 -17.572 1.00 23.45 C ATOM 1469 OD1 ASP A 86 -6.866 -3.269 -18.810 1.00 62.45 O ATOM 1470 OD2 ASP A 86 -7.726 -2.552 -16.942 1.00 71.43 O ATOM 0 H ASP A 86 -4.314 -5.342 -14.950 1.00 53.02 H new ATOM 0 HA ASP A 86 -4.337 -4.251 -17.705 1.00 5.51 H new ATOM 0 HB2 ASP A 86 -6.486 -5.437 -17.337 1.00 24.24 H new ATOM 0 HB3 ASP A 86 -6.723 -4.588 -15.822 1.00 24.24 H new ATOM 1475 N GLU A 87 -3.756 -2.059 -16.739 1.00 74.23 N ATOM 1476 CA GLU A 87 -3.333 -0.712 -16.274 1.00 12.45 C ATOM 1477 C GLU A 87 -4.464 0.322 -16.383 1.00 33.20 C ATOM 1478 O GLU A 87 -4.422 1.356 -15.712 1.00 4.05 O ATOM 1479 CB GLU A 87 -2.100 -0.200 -17.096 1.00 4.52 C ATOM 1480 CG GLU A 87 -2.355 0.160 -18.585 1.00 60.22 C ATOM 1481 CD GLU A 87 -2.815 -1.034 -19.438 1.00 32.32 C ATOM 1482 OE1 GLU A 87 -1.973 -1.890 -19.779 1.00 12.14 O ATOM 1483 OE2 GLU A 87 -4.024 -1.142 -19.741 1.00 62.45 O ATOM 0 H GLU A 87 -3.454 -2.262 -17.692 1.00 74.23 H new ATOM 0 HA GLU A 87 -3.062 -0.820 -15.224 1.00 12.45 H new ATOM 0 HB2 GLU A 87 -1.701 0.683 -16.596 1.00 4.52 H new ATOM 0 HB3 GLU A 87 -1.325 -0.965 -17.059 1.00 4.52 H new ATOM 0 HG2 GLU A 87 -3.110 0.944 -18.636 1.00 60.22 H new ATOM 0 HG3 GLU A 87 -1.440 0.570 -19.013 1.00 60.22 H new ATOM 1490 N ASN A 88 -5.443 0.040 -17.261 1.00 35.51 N ATOM 1491 CA ASN A 88 -6.532 0.974 -17.603 1.00 3.41 C ATOM 1492 C ASN A 88 -7.426 1.249 -16.373 1.00 62.51 C ATOM 1493 O ASN A 88 -7.686 2.411 -16.029 1.00 43.23 O ATOM 1494 CB ASN A 88 -7.346 0.404 -18.798 1.00 64.31 C ATOM 1495 CG ASN A 88 -8.549 1.265 -19.196 1.00 52.10 C ATOM 1496 OD1 ASN A 88 -9.671 1.037 -18.748 1.00 74.31 O ATOM 1497 ND2 ASN A 88 -8.321 2.274 -20.023 1.00 61.30 N ATOM 0 H ASN A 88 -5.502 -0.849 -17.757 1.00 35.51 H new ATOM 0 HA ASN A 88 -6.108 1.932 -17.905 1.00 3.41 H new ATOM 0 HB2 ASN A 88 -6.685 0.300 -19.659 1.00 64.31 H new ATOM 0 HB3 ASN A 88 -7.696 -0.596 -18.542 1.00 64.31 H new ATOM 0 HD21 ASN A 88 -9.087 2.886 -20.304 1.00 61.30 H new ATOM 0 HD22 ASN A 88 -7.379 2.439 -20.379 1.00 61.30 H new ATOM 1504 N GLU A 89 -7.849 0.165 -15.704 1.00 13.11 N ATOM 1505 CA GLU A 89 -8.650 0.232 -14.470 1.00 63.42 C ATOM 1506 C GLU A 89 -7.825 0.844 -13.321 1.00 54.20 C ATOM 1507 O GLU A 89 -8.353 1.628 -12.527 1.00 4.02 O ATOM 1508 CB GLU A 89 -9.157 -1.179 -14.068 1.00 22.51 C ATOM 1509 CG GLU A 89 -10.012 -1.206 -12.775 1.00 43.04 C ATOM 1510 CD GLU A 89 -10.427 -2.622 -12.343 1.00 2.33 C ATOM 1511 OE1 GLU A 89 -9.630 -3.297 -11.668 1.00 54.41 O ATOM 1512 OE2 GLU A 89 -11.547 -3.064 -12.684 1.00 23.03 O ATOM 0 H GLU A 89 -7.644 -0.788 -16.005 1.00 13.11 H new ATOM 0 HA GLU A 89 -9.512 0.871 -14.661 1.00 63.42 H new ATOM 0 HB2 GLU A 89 -9.747 -1.587 -14.888 1.00 22.51 H new ATOM 0 HB3 GLU A 89 -8.298 -1.837 -13.935 1.00 22.51 H new ATOM 0 HG2 GLU A 89 -9.449 -0.739 -11.967 1.00 43.04 H new ATOM 0 HG3 GLU A 89 -10.908 -0.605 -12.929 1.00 43.04 H new ATOM 1519 N LEU A 90 -6.527 0.478 -13.253 1.00 65.30 N ATOM 1520 CA LEU A 90 -5.610 0.963 -12.200 1.00 40.31 C ATOM 1521 C LEU A 90 -5.405 2.479 -12.284 1.00 53.44 C ATOM 1522 O LEU A 90 -5.316 3.138 -11.254 1.00 42.01 O ATOM 1523 CB LEU A 90 -4.232 0.280 -12.287 1.00 41.22 C ATOM 1524 CG LEU A 90 -4.190 -1.250 -12.090 1.00 73.35 C ATOM 1525 CD1 LEU A 90 -2.734 -1.752 -12.149 1.00 70.24 C ATOM 1526 CD2 LEU A 90 -4.908 -1.682 -10.786 1.00 31.32 C ATOM 0 H LEU A 90 -6.089 -0.157 -13.920 1.00 65.30 H new ATOM 0 HA LEU A 90 -6.081 0.711 -11.250 1.00 40.31 H new ATOM 0 HB2 LEU A 90 -3.803 0.507 -13.263 1.00 41.22 H new ATOM 0 HB3 LEU A 90 -3.582 0.735 -11.540 1.00 41.22 H new ATOM 0 HG LEU A 90 -4.739 -1.718 -12.907 1.00 73.35 H new ATOM 0 HD11 LEU A 90 -2.716 -2.833 -12.009 1.00 70.24 H new ATOM 0 HD12 LEU A 90 -2.303 -1.505 -13.119 1.00 70.24 H new ATOM 0 HD13 LEU A 90 -2.152 -1.274 -11.361 1.00 70.24 H new ATOM 0 HD21 LEU A 90 -4.856 -2.766 -10.684 1.00 31.32 H new ATOM 0 HD22 LEU A 90 -4.422 -1.213 -9.930 1.00 31.32 H new ATOM 0 HD23 LEU A 90 -5.952 -1.371 -10.825 1.00 31.32 H new ATOM 1538 N GLU A 91 -5.310 3.014 -13.520 1.00 4.34 N ATOM 1539 CA GLU A 91 -5.082 4.450 -13.740 1.00 64.33 C ATOM 1540 C GLU A 91 -6.334 5.243 -13.335 1.00 35.25 C ATOM 1541 O GLU A 91 -6.232 6.287 -12.696 1.00 45.12 O ATOM 1542 CB GLU A 91 -4.665 4.746 -15.201 1.00 50.12 C ATOM 1543 CG GLU A 91 -4.240 6.219 -15.443 1.00 50.53 C ATOM 1544 CD GLU A 91 -3.507 6.428 -16.778 1.00 53.34 C ATOM 1545 OE1 GLU A 91 -4.158 6.401 -17.839 1.00 5.35 O ATOM 1546 OE2 GLU A 91 -2.263 6.600 -16.768 1.00 13.41 O ATOM 0 H GLU A 91 -5.388 2.469 -14.378 1.00 4.34 H new ATOM 0 HA GLU A 91 -4.251 4.769 -13.111 1.00 64.33 H new ATOM 0 HB2 GLU A 91 -3.839 4.089 -15.474 1.00 50.12 H new ATOM 0 HB3 GLU A 91 -5.496 4.504 -15.863 1.00 50.12 H new ATOM 0 HG2 GLU A 91 -5.126 6.854 -15.419 1.00 50.53 H new ATOM 0 HG3 GLU A 91 -3.594 6.542 -14.627 1.00 50.53 H new ATOM 1553 N GLU A 92 -7.502 4.678 -13.666 1.00 25.24 N ATOM 1554 CA GLU A 92 -8.826 5.209 -13.292 1.00 34.04 C ATOM 1555 C GLU A 92 -8.962 5.241 -11.737 1.00 20.24 C ATOM 1556 O GLU A 92 -9.487 6.201 -11.154 1.00 33.14 O ATOM 1557 CB GLU A 92 -9.911 4.283 -13.956 1.00 72.44 C ATOM 1558 CG GLU A 92 -11.277 4.924 -14.280 1.00 43.12 C ATOM 1559 CD GLU A 92 -12.031 5.496 -13.068 1.00 31.34 C ATOM 1560 OE1 GLU A 92 -12.347 4.730 -12.127 1.00 51.53 O ATOM 1561 OE2 GLU A 92 -12.315 6.712 -13.043 1.00 64.54 O ATOM 0 H GLU A 92 -7.558 3.819 -14.214 1.00 25.24 H new ATOM 0 HA GLU A 92 -8.959 6.232 -13.645 1.00 34.04 H new ATOM 0 HB2 GLU A 92 -9.496 3.885 -14.882 1.00 72.44 H new ATOM 0 HB3 GLU A 92 -10.084 3.435 -13.293 1.00 72.44 H new ATOM 0 HG2 GLU A 92 -11.123 5.724 -15.004 1.00 43.12 H new ATOM 0 HG3 GLU A 92 -11.907 4.176 -14.761 1.00 43.12 H new ATOM 1568 N PHE A 93 -8.449 4.168 -11.107 1.00 33.31 N ATOM 1569 CA PHE A 93 -8.485 3.951 -9.648 1.00 53.24 C ATOM 1570 C PHE A 93 -7.575 4.956 -8.917 1.00 44.32 C ATOM 1571 O PHE A 93 -8.002 5.595 -7.945 1.00 24.33 O ATOM 1572 CB PHE A 93 -8.047 2.488 -9.341 1.00 5.33 C ATOM 1573 CG PHE A 93 -8.230 2.024 -7.892 1.00 22.11 C ATOM 1574 CD1 PHE A 93 -7.253 2.264 -6.920 1.00 22.31 C ATOM 1575 CD2 PHE A 93 -9.378 1.337 -7.503 1.00 22.00 C ATOM 1576 CE1 PHE A 93 -7.414 1.829 -5.623 1.00 32.12 C ATOM 1577 CE2 PHE A 93 -9.535 0.902 -6.204 1.00 20.23 C ATOM 1578 CZ PHE A 93 -8.555 1.152 -5.264 1.00 14.30 C ATOM 0 H PHE A 93 -7.987 3.410 -11.610 1.00 33.31 H new ATOM 0 HA PHE A 93 -9.502 4.109 -9.288 1.00 53.24 H new ATOM 0 HB2 PHE A 93 -8.609 1.817 -9.991 1.00 5.33 H new ATOM 0 HB3 PHE A 93 -6.995 2.381 -9.606 1.00 5.33 H new ATOM 0 HD1 PHE A 93 -6.356 2.800 -7.192 1.00 22.31 H new ATOM 0 HD2 PHE A 93 -10.155 1.143 -8.228 1.00 22.00 H new ATOM 0 HE1 PHE A 93 -6.645 2.020 -4.889 1.00 32.12 H new ATOM 0 HE2 PHE A 93 -10.428 0.364 -5.921 1.00 20.23 H new ATOM 0 HZ PHE A 93 -8.685 0.815 -4.246 1.00 14.30 H new ATOM 1588 N LYS A 94 -6.324 5.103 -9.413 1.00 53.22 N ATOM 1589 CA LYS A 94 -5.289 5.908 -8.744 1.00 2.34 C ATOM 1590 C LYS A 94 -5.612 7.403 -8.812 1.00 33.02 C ATOM 1591 O LYS A 94 -5.040 8.179 -8.060 1.00 23.25 O ATOM 1592 CB LYS A 94 -3.853 5.583 -9.280 1.00 2.44 C ATOM 1593 CG LYS A 94 -3.556 5.823 -10.784 1.00 14.34 C ATOM 1594 CD LYS A 94 -3.291 7.296 -11.182 1.00 54.22 C ATOM 1595 CE LYS A 94 -2.130 7.922 -10.400 1.00 2.40 C ATOM 1596 NZ LYS A 94 -1.841 9.298 -10.849 1.00 52.12 N ATOM 0 H LYS A 94 -6.011 4.669 -10.281 1.00 53.22 H new ATOM 0 HA LYS A 94 -5.292 5.630 -7.690 1.00 2.34 H new ATOM 0 HB2 LYS A 94 -3.141 6.173 -8.703 1.00 2.44 H new ATOM 0 HB3 LYS A 94 -3.647 4.535 -9.064 1.00 2.44 H new ATOM 0 HG2 LYS A 94 -2.688 5.227 -11.065 1.00 14.34 H new ATOM 0 HG3 LYS A 94 -4.399 5.453 -11.367 1.00 14.34 H new ATOM 0 HD2 LYS A 94 -3.073 7.346 -12.249 1.00 54.22 H new ATOM 0 HD3 LYS A 94 -4.195 7.882 -11.013 1.00 54.22 H new ATOM 0 HE2 LYS A 94 -2.371 7.930 -9.337 1.00 2.40 H new ATOM 0 HE3 LYS A 94 -1.238 7.307 -10.520 1.00 2.40 H new ATOM 0 HZ1 LYS A 94 -1.198 9.756 -10.172 1.00 52.12 H new ATOM 0 HZ2 LYS A 94 -1.394 9.270 -11.788 1.00 52.12 H new ATOM 0 HZ3 LYS A 94 -2.728 9.839 -10.904 1.00 52.12 H new ATOM 1610 N ARG A 95 -6.503 7.795 -9.746 1.00 51.34 N ATOM 1611 CA ARG A 95 -6.990 9.178 -9.866 1.00 21.21 C ATOM 1612 C ARG A 95 -7.800 9.594 -8.621 1.00 1.52 C ATOM 1613 O ARG A 95 -7.708 10.748 -8.193 1.00 33.14 O ATOM 1614 CB ARG A 95 -7.820 9.333 -11.164 1.00 14.30 C ATOM 1615 CG ARG A 95 -6.971 9.277 -12.452 1.00 75.31 C ATOM 1616 CD ARG A 95 -6.034 10.485 -12.611 1.00 53.54 C ATOM 1617 NE ARG A 95 -6.800 11.727 -12.829 1.00 51.43 N ATOM 1618 CZ ARG A 95 -6.366 12.973 -12.581 1.00 2.43 C ATOM 1619 NH1 ARG A 95 -5.158 13.189 -12.091 1.00 53.33 N ATOM 1620 NH2 ARG A 95 -7.166 14.005 -12.795 1.00 32.52 N ATOM 0 H ARG A 95 -6.903 7.159 -10.436 1.00 51.34 H new ATOM 0 HA ARG A 95 -6.132 9.848 -9.925 1.00 21.21 H new ATOM 0 HB2 ARG A 95 -8.572 8.545 -11.200 1.00 14.30 H new ATOM 0 HB3 ARG A 95 -8.354 10.283 -11.132 1.00 14.30 H new ATOM 0 HG2 ARG A 95 -6.378 8.363 -12.449 1.00 75.31 H new ATOM 0 HG3 ARG A 95 -7.635 9.224 -13.315 1.00 75.31 H new ATOM 0 HD2 ARG A 95 -5.414 10.588 -11.720 1.00 53.54 H new ATOM 0 HD3 ARG A 95 -5.360 10.318 -13.451 1.00 53.54 H new ATOM 0 HE ARG A 95 -7.745 11.630 -13.202 1.00 51.43 H new ATOM 0 HH11 ARG A 95 -4.539 12.402 -11.895 1.00 53.33 H new ATOM 0 HH12 ARG A 95 -4.845 14.142 -11.909 1.00 53.33 H new ATOM 0 HH21 ARG A 95 -8.111 13.853 -13.148 1.00 32.52 H new ATOM 0 HH22 ARG A 95 -6.838 14.952 -12.607 1.00 32.52 H new ATOM 1634 N LYS A 96 -8.581 8.648 -8.057 1.00 44.31 N ATOM 1635 CA LYS A 96 -9.295 8.840 -6.767 1.00 41.12 C ATOM 1636 C LYS A 96 -8.288 9.070 -5.623 1.00 31.02 C ATOM 1637 O LYS A 96 -8.428 9.999 -4.825 1.00 3.12 O ATOM 1638 CB LYS A 96 -10.202 7.607 -6.419 1.00 50.33 C ATOM 1639 CG LYS A 96 -11.631 7.629 -7.000 1.00 72.22 C ATOM 1640 CD LYS A 96 -11.691 7.572 -8.542 1.00 21.14 C ATOM 1641 CE LYS A 96 -13.137 7.517 -9.053 1.00 52.13 C ATOM 1642 NZ LYS A 96 -13.204 7.453 -10.524 1.00 14.22 N ATOM 0 H LYS A 96 -8.737 7.732 -8.477 1.00 44.31 H new ATOM 0 HA LYS A 96 -9.932 9.717 -6.877 1.00 41.12 H new ATOM 0 HB2 LYS A 96 -9.703 6.704 -6.771 1.00 50.33 H new ATOM 0 HB3 LYS A 96 -10.274 7.530 -5.334 1.00 50.33 H new ATOM 0 HG2 LYS A 96 -12.188 6.784 -6.595 1.00 72.22 H new ATOM 0 HG3 LYS A 96 -12.134 8.535 -6.662 1.00 72.22 H new ATOM 0 HD2 LYS A 96 -11.191 8.447 -8.958 1.00 21.14 H new ATOM 0 HD3 LYS A 96 -11.147 6.696 -8.895 1.00 21.14 H new ATOM 0 HE2 LYS A 96 -13.638 6.646 -8.630 1.00 52.13 H new ATOM 0 HE3 LYS A 96 -13.678 8.397 -8.704 1.00 52.13 H new ATOM 0 HZ1 LYS A 96 -14.009 6.859 -10.809 1.00 14.22 H new ATOM 0 HZ2 LYS A 96 -13.328 8.412 -10.908 1.00 14.22 H new ATOM 0 HZ3 LYS A 96 -12.323 7.043 -10.894 1.00 14.22 H new ATOM 1656 N ILE A 97 -7.270 8.202 -5.586 1.00 34.32 N ATOM 1657 CA ILE A 97 -6.262 8.148 -4.508 1.00 74.22 C ATOM 1658 C ILE A 97 -5.381 9.418 -4.524 1.00 71.22 C ATOM 1659 O ILE A 97 -5.042 9.983 -3.478 1.00 21.12 O ATOM 1660 CB ILE A 97 -5.376 6.853 -4.670 1.00 11.05 C ATOM 1661 CG1 ILE A 97 -6.273 5.572 -4.852 1.00 52.53 C ATOM 1662 CG2 ILE A 97 -4.384 6.688 -3.494 1.00 54.35 C ATOM 1663 CD1 ILE A 97 -7.266 5.296 -3.730 1.00 64.41 C ATOM 0 H ILE A 97 -7.117 7.504 -6.314 1.00 34.32 H new ATOM 0 HA ILE A 97 -6.774 8.106 -3.547 1.00 74.22 H new ATOM 0 HB ILE A 97 -4.782 6.973 -5.576 1.00 11.05 H new ATOM 0 HG12 ILE A 97 -6.826 5.668 -5.786 1.00 52.53 H new ATOM 0 HG13 ILE A 97 -5.620 4.705 -4.956 1.00 52.53 H new ATOM 0 HG21 ILE A 97 -3.792 5.785 -3.642 1.00 54.35 H new ATOM 0 HG22 ILE A 97 -3.722 7.553 -3.452 1.00 54.35 H new ATOM 0 HG23 ILE A 97 -4.938 6.609 -2.559 1.00 54.35 H new ATOM 0 HD11 ILE A 97 -7.831 4.392 -3.958 1.00 64.41 H new ATOM 0 HD12 ILE A 97 -6.727 5.160 -2.792 1.00 64.41 H new ATOM 0 HD13 ILE A 97 -7.952 6.138 -3.636 1.00 64.41 H new ATOM 1675 N GLU A 98 -5.064 9.856 -5.745 1.00 32.44 N ATOM 1676 CA GLU A 98 -4.268 11.060 -6.025 1.00 60.44 C ATOM 1677 C GLU A 98 -5.095 12.334 -5.742 1.00 23.15 C ATOM 1678 O GLU A 98 -4.542 13.357 -5.326 1.00 22.34 O ATOM 1679 CB GLU A 98 -3.793 10.996 -7.499 1.00 41.14 C ATOM 1680 CG GLU A 98 -2.922 12.174 -7.986 1.00 12.31 C ATOM 1681 CD GLU A 98 -2.485 12.029 -9.451 1.00 61.13 C ATOM 1682 OE1 GLU A 98 -3.359 11.830 -10.327 1.00 24.51 O ATOM 1683 OE2 GLU A 98 -1.269 12.083 -9.744 1.00 2.13 O ATOM 0 H GLU A 98 -5.361 9.371 -6.592 1.00 32.44 H new ATOM 0 HA GLU A 98 -3.396 11.100 -5.372 1.00 60.44 H new ATOM 0 HB2 GLU A 98 -3.230 10.073 -7.638 1.00 41.14 H new ATOM 0 HB3 GLU A 98 -4.672 10.932 -8.140 1.00 41.14 H new ATOM 0 HG2 GLU A 98 -3.479 13.104 -7.869 1.00 12.31 H new ATOM 0 HG3 GLU A 98 -2.037 12.250 -7.354 1.00 12.31 H new ATOM 1690 N SER A 99 -6.426 12.248 -5.941 1.00 50.33 N ATOM 1691 CA SER A 99 -7.364 13.346 -5.617 1.00 64.32 C ATOM 1692 C SER A 99 -7.529 13.501 -4.088 1.00 25.03 C ATOM 1693 O SER A 99 -7.957 14.554 -3.607 1.00 2.33 O ATOM 1694 CB SER A 99 -8.734 13.105 -6.290 1.00 53.34 C ATOM 1695 OG SER A 99 -9.638 14.183 -6.066 1.00 44.33 O ATOM 0 H SER A 99 -6.880 11.421 -6.328 1.00 50.33 H new ATOM 0 HA SER A 99 -6.946 14.274 -6.007 1.00 64.32 H new ATOM 0 HB2 SER A 99 -8.592 12.969 -7.362 1.00 53.34 H new ATOM 0 HB3 SER A 99 -9.169 12.182 -5.906 1.00 53.34 H new ATOM 0 HG SER A 99 -10.491 13.992 -6.509 1.00 44.33 H new ATOM 1701 N GLN A 100 -7.211 12.426 -3.342 1.00 40.03 N ATOM 1702 CA GLN A 100 -7.158 12.442 -1.864 1.00 21.50 C ATOM 1703 C GLN A 100 -5.755 12.871 -1.367 1.00 30.21 C ATOM 1704 O GLN A 100 -5.537 12.998 -0.160 1.00 31.23 O ATOM 1705 CB GLN A 100 -7.527 11.038 -1.315 1.00 60.34 C ATOM 1706 CG GLN A 100 -8.967 10.583 -1.603 1.00 73.11 C ATOM 1707 CD GLN A 100 -9.216 9.131 -1.195 1.00 22.05 C ATOM 1708 OE1 GLN A 100 -9.605 8.845 -0.064 1.00 62.41 O ATOM 1709 NE2 GLN A 100 -8.989 8.199 -2.109 1.00 40.41 N ATOM 0 H GLN A 100 -6.983 11.518 -3.747 1.00 40.03 H new ATOM 0 HA GLN A 100 -7.879 13.170 -1.494 1.00 21.50 H new ATOM 0 HB2 GLN A 100 -6.840 10.307 -1.740 1.00 60.34 H new ATOM 0 HB3 GLN A 100 -7.370 11.034 -0.236 1.00 60.34 H new ATOM 0 HG2 GLN A 100 -9.663 11.231 -1.070 1.00 73.11 H new ATOM 0 HG3 GLN A 100 -9.175 10.699 -2.667 1.00 73.11 H new ATOM 0 HE21 GLN A 100 -8.667 8.465 -3.039 1.00 40.41 H new ATOM 0 HE22 GLN A 100 -9.137 7.216 -1.882 1.00 40.41 H new ATOM 1718 N GLY A 101 -4.817 13.084 -2.312 1.00 53.22 N ATOM 1719 CA GLY A 101 -3.465 13.547 -1.994 1.00 14.12 C ATOM 1720 C GLY A 101 -2.579 12.461 -1.392 1.00 21.12 C ATOM 1721 O GLY A 101 -1.776 12.740 -0.494 1.00 33.00 O ATOM 0 H GLY A 101 -4.981 12.939 -3.308 1.00 53.22 H new ATOM 0 HA2 GLY A 101 -2.996 13.926 -2.902 1.00 14.12 H new ATOM 0 HA3 GLY A 101 -3.529 14.381 -1.296 1.00 14.12 H new ATOM 1725 N TYR A 102 -2.737 11.218 -1.876 1.00 52.20 N ATOM 1726 CA TYR A 102 -1.884 10.073 -1.480 1.00 44.34 C ATOM 1727 C TYR A 102 -0.981 9.666 -2.646 1.00 72.22 C ATOM 1728 O TYR A 102 -1.411 9.696 -3.807 1.00 11.22 O ATOM 1729 CB TYR A 102 -2.738 8.869 -1.015 1.00 75.43 C ATOM 1730 CG TYR A 102 -3.493 9.124 0.290 1.00 40.14 C ATOM 1731 CD1 TYR A 102 -2.830 9.084 1.516 1.00 71.23 C ATOM 1732 CD2 TYR A 102 -4.861 9.398 0.299 1.00 24.32 C ATOM 1733 CE1 TYR A 102 -3.499 9.322 2.696 1.00 1.33 C ATOM 1734 CE2 TYR A 102 -5.533 9.640 1.480 1.00 34.21 C ATOM 1735 CZ TYR A 102 -4.849 9.591 2.674 1.00 2.03 C ATOM 1736 OH TYR A 102 -5.516 9.816 3.847 1.00 2.21 O ATOM 0 H TYR A 102 -3.459 10.973 -2.554 1.00 52.20 H new ATOM 0 HA TYR A 102 -1.264 10.386 -0.639 1.00 44.34 H new ATOM 0 HB2 TYR A 102 -3.455 8.619 -1.797 1.00 75.43 H new ATOM 0 HB3 TYR A 102 -2.090 8.002 -0.887 1.00 75.43 H new ATOM 0 HD1 TYR A 102 -1.773 8.862 1.541 1.00 71.23 H new ATOM 0 HD2 TYR A 102 -5.404 9.421 -0.635 1.00 24.32 H new ATOM 0 HE1 TYR A 102 -2.966 9.298 3.635 1.00 1.33 H new ATOM 0 HE2 TYR A 102 -6.589 9.866 1.468 1.00 34.21 H new ATOM 0 HH TYR A 102 -6.368 9.331 3.837 1.00 2.21 H new ATOM 1746 N GLU A 103 0.267 9.278 -2.315 1.00 1.14 N ATOM 1747 CA GLU A 103 1.289 8.903 -3.292 1.00 52.21 C ATOM 1748 C GLU A 103 0.952 7.525 -3.851 1.00 25.41 C ATOM 1749 O GLU A 103 0.973 6.555 -3.107 1.00 21.11 O ATOM 1750 CB GLU A 103 2.696 8.883 -2.633 1.00 64.40 C ATOM 1751 CG GLU A 103 3.871 8.826 -3.631 1.00 61.53 C ATOM 1752 CD GLU A 103 3.960 10.102 -4.487 1.00 0.14 C ATOM 1753 OE1 GLU A 103 4.535 11.105 -4.000 1.00 62.44 O ATOM 1754 OE2 GLU A 103 3.423 10.129 -5.620 1.00 42.25 O ATOM 0 H GLU A 103 0.589 9.218 -1.349 1.00 1.14 H new ATOM 0 HA GLU A 103 1.305 9.637 -4.098 1.00 52.21 H new ATOM 0 HB2 GLU A 103 2.805 9.773 -2.013 1.00 64.40 H new ATOM 0 HB3 GLU A 103 2.759 8.022 -1.968 1.00 64.40 H new ATOM 0 HG2 GLU A 103 4.805 8.689 -3.085 1.00 61.53 H new ATOM 0 HG3 GLU A 103 3.753 7.960 -4.282 1.00 61.53 H new ATOM 1761 N VAL A 104 0.619 7.449 -5.145 1.00 64.43 N ATOM 1762 CA VAL A 104 0.150 6.199 -5.762 1.00 30.34 C ATOM 1763 C VAL A 104 0.760 6.003 -7.164 1.00 5.01 C ATOM 1764 O VAL A 104 0.705 6.901 -8.006 1.00 40.10 O ATOM 1765 CB VAL A 104 -1.422 6.158 -5.810 1.00 20.15 C ATOM 1766 CG1 VAL A 104 -2.020 7.401 -6.519 1.00 44.02 C ATOM 1767 CG2 VAL A 104 -1.932 4.831 -6.425 1.00 51.35 C ATOM 0 H VAL A 104 0.665 8.240 -5.788 1.00 64.43 H new ATOM 0 HA VAL A 104 0.489 5.369 -5.142 1.00 30.34 H new ATOM 0 HB VAL A 104 -1.778 6.194 -4.780 1.00 20.15 H new ATOM 0 HG11 VAL A 104 -3.107 7.327 -6.527 1.00 44.02 H new ATOM 0 HG12 VAL A 104 -1.722 8.303 -5.985 1.00 44.02 H new ATOM 0 HG13 VAL A 104 -1.652 7.448 -7.544 1.00 44.02 H new ATOM 0 HG21 VAL A 104 -3.022 4.834 -6.444 1.00 51.35 H new ATOM 0 HG22 VAL A 104 -1.552 4.731 -7.442 1.00 51.35 H new ATOM 0 HG23 VAL A 104 -1.582 3.993 -5.823 1.00 51.35 H new ATOM 1777 N ARG A 105 1.374 4.820 -7.394 1.00 34.22 N ATOM 1778 CA ARG A 105 1.937 4.426 -8.706 1.00 35.32 C ATOM 1779 C ARG A 105 1.147 3.238 -9.283 1.00 21.04 C ATOM 1780 O ARG A 105 0.737 2.334 -8.553 1.00 4.22 O ATOM 1781 CB ARG A 105 3.447 4.069 -8.590 1.00 42.21 C ATOM 1782 CG ARG A 105 4.391 5.226 -8.147 1.00 41.54 C ATOM 1783 CD ARG A 105 4.546 6.358 -9.184 1.00 42.10 C ATOM 1784 NE ARG A 105 3.325 7.168 -9.326 1.00 3.03 N ATOM 1785 CZ ARG A 105 3.145 8.179 -10.181 1.00 50.52 C ATOM 1786 NH1 ARG A 105 4.101 8.572 -11.011 1.00 54.13 N ATOM 1787 NH2 ARG A 105 1.975 8.778 -10.220 1.00 31.44 N ATOM 0 H ARG A 105 1.493 4.109 -6.672 1.00 34.22 H new ATOM 0 HA ARG A 105 1.848 5.276 -9.383 1.00 35.32 H new ATOM 0 HB2 ARG A 105 3.552 3.249 -7.880 1.00 42.21 H new ATOM 0 HB3 ARG A 105 3.788 3.699 -9.557 1.00 42.21 H new ATOM 0 HG2 ARG A 105 4.012 5.651 -7.218 1.00 41.54 H new ATOM 0 HG3 ARG A 105 5.376 4.812 -7.930 1.00 41.54 H new ATOM 0 HD2 ARG A 105 5.374 7.004 -8.890 1.00 42.10 H new ATOM 0 HD3 ARG A 105 4.806 5.927 -10.151 1.00 42.10 H new ATOM 0 HE ARG A 105 2.543 6.936 -8.714 1.00 3.03 H new ATOM 0 HH11 ARG A 105 5.005 8.099 -11.009 1.00 54.13 H new ATOM 0 HH12 ARG A 105 3.933 9.347 -11.652 1.00 54.13 H new ATOM 0 HH21 ARG A 105 1.223 8.469 -9.604 1.00 31.44 H new ATOM 0 HH22 ARG A 105 1.819 9.552 -10.866 1.00 31.44 H new ATOM 1801 N LYS A 106 0.963 3.272 -10.610 1.00 71.02 N ATOM 1802 CA LYS A 106 0.258 2.243 -11.390 1.00 52.54 C ATOM 1803 C LYS A 106 1.284 1.475 -12.245 1.00 23.03 C ATOM 1804 O LYS A 106 2.025 2.086 -13.021 1.00 63.20 O ATOM 1805 CB LYS A 106 -0.853 2.930 -12.266 1.00 42.52 C ATOM 1806 CG LYS A 106 -1.422 2.095 -13.460 1.00 22.32 C ATOM 1807 CD LYS A 106 -0.730 2.386 -14.824 1.00 23.30 C ATOM 1808 CE LYS A 106 -0.971 3.819 -15.319 1.00 71.13 C ATOM 1809 NZ LYS A 106 -0.311 4.095 -16.621 1.00 62.02 N ATOM 0 H LYS A 106 1.310 4.038 -11.188 1.00 71.02 H new ATOM 0 HA LYS A 106 -0.236 1.525 -10.735 1.00 52.54 H new ATOM 0 HB2 LYS A 106 -1.683 3.199 -11.613 1.00 42.52 H new ATOM 0 HB3 LYS A 106 -0.446 3.860 -12.664 1.00 42.52 H new ATOM 0 HG2 LYS A 106 -1.318 1.035 -13.230 1.00 22.32 H new ATOM 0 HG3 LYS A 106 -2.489 2.297 -13.555 1.00 22.32 H new ATOM 0 HD2 LYS A 106 0.342 2.216 -14.726 1.00 23.30 H new ATOM 0 HD3 LYS A 106 -1.098 1.682 -15.570 1.00 23.30 H new ATOM 0 HE2 LYS A 106 -2.043 3.990 -15.417 1.00 71.13 H new ATOM 0 HE3 LYS A 106 -0.603 4.523 -14.573 1.00 71.13 H new ATOM 0 HZ1 LYS A 106 -0.726 4.948 -17.047 1.00 62.02 H new ATOM 0 HZ2 LYS A 106 0.707 4.244 -16.469 1.00 62.02 H new ATOM 0 HZ3 LYS A 106 -0.451 3.286 -17.260 1.00 62.02 H new ATOM 1823 N VAL A 107 1.328 0.141 -12.089 1.00 25.03 N ATOM 1824 CA VAL A 107 2.251 -0.759 -12.829 1.00 61.55 C ATOM 1825 C VAL A 107 1.498 -2.041 -13.246 1.00 5.20 C ATOM 1826 O VAL A 107 0.424 -2.337 -12.714 1.00 23.44 O ATOM 1827 CB VAL A 107 3.528 -1.148 -11.972 1.00 74.50 C ATOM 1828 CG1 VAL A 107 4.352 0.101 -11.565 1.00 1.54 C ATOM 1829 CG2 VAL A 107 3.137 -1.979 -10.733 1.00 11.21 C ATOM 0 H VAL A 107 0.719 -0.356 -11.439 1.00 25.03 H new ATOM 0 HA VAL A 107 2.599 -0.220 -13.710 1.00 61.55 H new ATOM 0 HB VAL A 107 4.164 -1.766 -12.606 1.00 74.50 H new ATOM 0 HG11 VAL A 107 5.218 -0.209 -10.980 1.00 1.54 H new ATOM 0 HG12 VAL A 107 4.688 0.623 -12.461 1.00 1.54 H new ATOM 0 HG13 VAL A 107 3.730 0.768 -10.968 1.00 1.54 H new ATOM 0 HG21 VAL A 107 4.033 -2.230 -10.166 1.00 11.21 H new ATOM 0 HG22 VAL A 107 2.461 -1.399 -10.105 1.00 11.21 H new ATOM 0 HG23 VAL A 107 2.640 -2.895 -11.052 1.00 11.21 H new ATOM 1839 N THR A 108 2.065 -2.788 -14.205 1.00 43.11 N ATOM 1840 CA THR A 108 1.492 -4.064 -14.699 1.00 3.23 C ATOM 1841 C THR A 108 2.516 -5.212 -14.678 1.00 51.45 C ATOM 1842 O THR A 108 2.144 -6.373 -14.864 1.00 24.14 O ATOM 1843 CB THR A 108 0.934 -3.898 -16.154 1.00 33.34 C ATOM 1844 OG1 THR A 108 1.874 -3.161 -16.954 1.00 24.22 O ATOM 1845 CG2 THR A 108 -0.431 -3.203 -16.179 1.00 24.54 C ATOM 0 H THR A 108 2.937 -2.529 -14.666 1.00 43.11 H new ATOM 0 HA THR A 108 0.679 -4.321 -14.020 1.00 3.23 H new ATOM 0 HB THR A 108 0.796 -4.897 -16.567 1.00 33.34 H new ATOM 0 HG1 THR A 108 1.522 -3.061 -17.863 1.00 24.22 H new ATOM 0 HG21 THR A 108 -0.774 -3.112 -17.210 1.00 24.54 H new ATOM 0 HG22 THR A 108 -1.149 -3.791 -15.608 1.00 24.54 H new ATOM 0 HG23 THR A 108 -0.342 -2.211 -15.737 1.00 24.54 H new ATOM 1853 N ASP A 109 3.795 -4.900 -14.440 1.00 41.41 N ATOM 1854 CA ASP A 109 4.889 -5.891 -14.542 1.00 24.13 C ATOM 1855 C ASP A 109 5.439 -6.246 -13.144 1.00 54.44 C ATOM 1856 O ASP A 109 5.343 -5.442 -12.212 1.00 43.42 O ATOM 1857 CB ASP A 109 5.997 -5.341 -15.477 1.00 52.01 C ATOM 1858 CG ASP A 109 7.172 -6.316 -15.676 1.00 32.44 C ATOM 1859 OD1 ASP A 109 7.092 -7.190 -16.560 1.00 4.12 O ATOM 1860 OD2 ASP A 109 8.163 -6.223 -14.922 1.00 43.21 O ATOM 0 H ASP A 109 4.106 -3.966 -14.174 1.00 41.41 H new ATOM 0 HA ASP A 109 4.504 -6.815 -14.974 1.00 24.13 H new ATOM 0 HB2 ASP A 109 5.560 -5.108 -16.448 1.00 52.01 H new ATOM 0 HB3 ASP A 109 6.377 -4.406 -15.066 1.00 52.01 H new ATOM 1865 N ASP A 110 6.029 -7.458 -13.039 1.00 52.12 N ATOM 1866 CA ASP A 110 6.544 -8.038 -11.782 1.00 10.03 C ATOM 1867 C ASP A 110 7.748 -7.242 -11.247 1.00 41.22 C ATOM 1868 O ASP A 110 7.665 -6.668 -10.152 1.00 11.22 O ATOM 1869 CB ASP A 110 6.943 -9.523 -12.029 1.00 33.53 C ATOM 1870 CG ASP A 110 7.618 -10.228 -10.828 1.00 42.30 C ATOM 1871 OD1 ASP A 110 6.906 -10.832 -10.001 1.00 61.14 O ATOM 1872 OD2 ASP A 110 8.868 -10.217 -10.739 1.00 4.20 O ATOM 0 H ASP A 110 6.162 -8.071 -13.843 1.00 52.12 H new ATOM 0 HA ASP A 110 5.758 -7.988 -11.028 1.00 10.03 H new ATOM 0 HB2 ASP A 110 6.049 -10.083 -12.304 1.00 33.53 H new ATOM 0 HB3 ASP A 110 7.620 -9.564 -12.882 1.00 33.53 H new ATOM 1877 N GLU A 111 8.844 -7.165 -12.047 1.00 55.11 N ATOM 1878 CA GLU A 111 10.100 -6.518 -11.599 1.00 22.51 C ATOM 1879 C GLU A 111 9.904 -5.001 -11.496 1.00 51.02 C ATOM 1880 O GLU A 111 10.584 -4.335 -10.710 1.00 13.40 O ATOM 1881 CB GLU A 111 11.315 -6.842 -12.519 1.00 41.44 C ATOM 1882 CG GLU A 111 11.263 -6.235 -13.935 1.00 72.30 C ATOM 1883 CD GLU A 111 12.550 -6.476 -14.742 1.00 25.32 C ATOM 1884 OE1 GLU A 111 12.704 -7.576 -15.310 1.00 14.21 O ATOM 1885 OE2 GLU A 111 13.422 -5.582 -14.791 1.00 13.21 O ATOM 0 H GLU A 111 8.881 -7.539 -12.995 1.00 55.11 H new ATOM 0 HA GLU A 111 10.333 -6.929 -10.616 1.00 22.51 H new ATOM 0 HB2 GLU A 111 12.223 -6.493 -12.027 1.00 41.44 H new ATOM 0 HB3 GLU A 111 11.399 -7.925 -12.611 1.00 41.44 H new ATOM 0 HG2 GLU A 111 10.417 -6.660 -14.475 1.00 72.30 H new ATOM 0 HG3 GLU A 111 11.085 -5.162 -13.858 1.00 72.30 H new ATOM 1892 N GLU A 112 8.959 -4.477 -12.307 1.00 31.14 N ATOM 1893 CA GLU A 112 8.546 -3.078 -12.258 1.00 23.44 C ATOM 1894 C GLU A 112 7.946 -2.758 -10.877 1.00 72.05 C ATOM 1895 O GLU A 112 8.346 -1.794 -10.238 1.00 24.12 O ATOM 1896 CB GLU A 112 7.521 -2.779 -13.384 1.00 24.34 C ATOM 1897 CG GLU A 112 7.109 -1.296 -13.524 1.00 55.12 C ATOM 1898 CD GLU A 112 8.281 -0.376 -13.922 1.00 72.42 C ATOM 1899 OE1 GLU A 112 9.020 0.095 -13.033 1.00 71.24 O ATOM 1900 OE2 GLU A 112 8.477 -0.132 -15.137 1.00 54.41 O ATOM 0 H GLU A 112 8.466 -5.024 -13.013 1.00 31.14 H new ATOM 0 HA GLU A 112 9.418 -2.444 -12.415 1.00 23.44 H new ATOM 0 HB2 GLU A 112 7.940 -3.114 -14.333 1.00 24.34 H new ATOM 0 HB3 GLU A 112 6.625 -3.373 -13.204 1.00 24.34 H new ATOM 0 HG2 GLU A 112 6.320 -1.214 -14.272 1.00 55.12 H new ATOM 0 HG3 GLU A 112 6.689 -0.951 -12.579 1.00 55.12 H new ATOM 1907 N ALA A 113 7.025 -3.624 -10.411 1.00 3.11 N ATOM 1908 CA ALA A 113 6.335 -3.450 -9.122 1.00 63.12 C ATOM 1909 C ALA A 113 7.326 -3.507 -7.943 1.00 73.25 C ATOM 1910 O ALA A 113 7.313 -2.624 -7.085 1.00 53.31 O ATOM 1911 CB ALA A 113 5.234 -4.509 -8.955 1.00 62.31 C ATOM 0 H ALA A 113 6.740 -4.462 -10.918 1.00 3.11 H new ATOM 0 HA ALA A 113 5.873 -2.463 -9.120 1.00 63.12 H new ATOM 0 HB1 ALA A 113 4.734 -4.366 -7.997 1.00 62.31 H new ATOM 0 HB2 ALA A 113 4.508 -4.409 -9.762 1.00 62.31 H new ATOM 0 HB3 ALA A 113 5.678 -5.504 -8.988 1.00 62.31 H new ATOM 1917 N LEU A 114 8.193 -4.546 -7.942 1.00 34.03 N ATOM 1918 CA LEU A 114 9.244 -4.759 -6.910 1.00 40.22 C ATOM 1919 C LEU A 114 10.156 -3.528 -6.776 1.00 14.33 C ATOM 1920 O LEU A 114 10.551 -3.139 -5.670 1.00 34.24 O ATOM 1921 CB LEU A 114 10.112 -5.986 -7.293 1.00 70.44 C ATOM 1922 CG LEU A 114 9.369 -7.339 -7.426 1.00 4.14 C ATOM 1923 CD1 LEU A 114 10.278 -8.407 -8.061 1.00 12.20 C ATOM 1924 CD2 LEU A 114 8.814 -7.796 -6.063 1.00 43.32 C ATOM 0 H LEU A 114 8.186 -5.268 -8.662 1.00 34.03 H new ATOM 0 HA LEU A 114 8.745 -4.929 -5.956 1.00 40.22 H new ATOM 0 HB2 LEU A 114 10.606 -5.773 -8.241 1.00 70.44 H new ATOM 0 HB3 LEU A 114 10.895 -6.098 -6.543 1.00 70.44 H new ATOM 0 HG LEU A 114 8.519 -7.199 -8.094 1.00 4.14 H new ATOM 0 HD11 LEU A 114 9.732 -9.347 -8.143 1.00 12.20 H new ATOM 0 HD12 LEU A 114 10.587 -8.079 -9.054 1.00 12.20 H new ATOM 0 HD13 LEU A 114 11.160 -8.552 -7.437 1.00 12.20 H new ATOM 0 HD21 LEU A 114 8.297 -8.748 -6.182 1.00 43.32 H new ATOM 0 HD22 LEU A 114 9.636 -7.915 -5.357 1.00 43.32 H new ATOM 0 HD23 LEU A 114 8.116 -7.049 -5.685 1.00 43.32 H new ATOM 1936 N LYS A 115 10.472 -2.940 -7.937 1.00 62.20 N ATOM 1937 CA LYS A 115 11.304 -1.754 -8.066 1.00 72.31 C ATOM 1938 C LYS A 115 10.645 -0.557 -7.362 1.00 5.42 C ATOM 1939 O LYS A 115 11.288 0.125 -6.561 1.00 43.13 O ATOM 1940 CB LYS A 115 11.480 -1.485 -9.570 1.00 22.42 C ATOM 1941 CG LYS A 115 12.334 -0.268 -9.963 1.00 53.40 C ATOM 1942 CD LYS A 115 12.050 0.173 -11.415 1.00 41.24 C ATOM 1943 CE LYS A 115 12.342 -0.916 -12.461 1.00 43.11 C ATOM 1944 NZ LYS A 115 11.935 -0.486 -13.824 1.00 33.23 N ATOM 0 H LYS A 115 10.142 -3.293 -8.835 1.00 62.20 H new ATOM 0 HA LYS A 115 12.275 -1.905 -7.594 1.00 72.31 H new ATOM 0 HB2 LYS A 115 11.923 -2.371 -10.024 1.00 22.42 H new ATOM 0 HB3 LYS A 115 10.491 -1.362 -10.011 1.00 22.42 H new ATOM 0 HG2 LYS A 115 12.127 0.558 -9.283 1.00 53.40 H new ATOM 0 HG3 LYS A 115 13.391 -0.513 -9.855 1.00 53.40 H new ATOM 0 HD2 LYS A 115 11.005 0.472 -11.497 1.00 41.24 H new ATOM 0 HD3 LYS A 115 12.652 1.053 -11.642 1.00 41.24 H new ATOM 0 HE2 LYS A 115 13.406 -1.151 -12.455 1.00 43.11 H new ATOM 0 HE3 LYS A 115 11.812 -1.830 -12.193 1.00 43.11 H new ATOM 0 HZ1 LYS A 115 12.083 -1.268 -14.493 1.00 33.23 H new ATOM 0 HZ2 LYS A 115 10.929 -0.220 -13.818 1.00 33.23 H new ATOM 0 HZ3 LYS A 115 12.507 0.332 -14.115 1.00 33.23 H new ATOM 1958 N ILE A 116 9.339 -0.360 -7.642 1.00 12.01 N ATOM 1959 CA ILE A 116 8.556 0.767 -7.108 1.00 1.43 C ATOM 1960 C ILE A 116 8.340 0.627 -5.580 1.00 1.34 C ATOM 1961 O ILE A 116 8.268 1.632 -4.880 1.00 43.41 O ATOM 1962 CB ILE A 116 7.170 0.908 -7.848 1.00 75.01 C ATOM 1963 CG1 ILE A 116 7.357 1.006 -9.401 1.00 74.15 C ATOM 1964 CG2 ILE A 116 6.369 2.120 -7.325 1.00 75.13 C ATOM 1965 CD1 ILE A 116 8.233 2.143 -9.895 1.00 44.24 C ATOM 0 H ILE A 116 8.800 -0.981 -8.246 1.00 12.01 H new ATOM 0 HA ILE A 116 9.132 1.674 -7.291 1.00 1.43 H new ATOM 0 HB ILE A 116 6.599 0.005 -7.630 1.00 75.01 H new ATOM 0 HG12 ILE A 116 7.781 0.067 -9.756 1.00 74.15 H new ATOM 0 HG13 ILE A 116 6.373 1.106 -9.860 1.00 74.15 H new ATOM 0 HG21 ILE A 116 5.420 2.186 -7.857 1.00 75.13 H new ATOM 0 HG22 ILE A 116 6.179 1.998 -6.259 1.00 75.13 H new ATOM 0 HG23 ILE A 116 6.942 3.033 -7.489 1.00 75.13 H new ATOM 0 HD11 ILE A 116 8.290 2.112 -10.983 1.00 44.24 H new ATOM 0 HD12 ILE A 116 7.805 3.095 -9.581 1.00 44.24 H new ATOM 0 HD13 ILE A 116 9.234 2.040 -9.476 1.00 44.24 H new ATOM 1977 N VAL A 117 8.247 -0.630 -5.080 1.00 13.21 N ATOM 1978 CA VAL A 117 8.180 -0.931 -3.626 1.00 60.32 C ATOM 1979 C VAL A 117 9.434 -0.391 -2.912 1.00 50.13 C ATOM 1980 O VAL A 117 9.343 0.277 -1.878 1.00 72.33 O ATOM 1981 CB VAL A 117 8.051 -2.485 -3.362 1.00 23.44 C ATOM 1982 CG1 VAL A 117 8.162 -2.831 -1.856 1.00 32.42 C ATOM 1983 CG2 VAL A 117 6.735 -3.038 -3.947 1.00 71.22 C ATOM 0 H VAL A 117 8.216 -1.462 -5.670 1.00 13.21 H new ATOM 0 HA VAL A 117 7.292 -0.440 -3.228 1.00 60.32 H new ATOM 0 HB VAL A 117 8.887 -2.964 -3.871 1.00 23.44 H new ATOM 0 HG11 VAL A 117 8.068 -3.909 -1.722 1.00 32.42 H new ATOM 0 HG12 VAL A 117 9.130 -2.502 -1.477 1.00 32.42 H new ATOM 0 HG13 VAL A 117 7.367 -2.326 -1.307 1.00 32.42 H new ATOM 0 HG21 VAL A 117 6.671 -4.108 -3.752 1.00 71.22 H new ATOM 0 HG22 VAL A 117 5.889 -2.533 -3.481 1.00 71.22 H new ATOM 0 HG23 VAL A 117 6.713 -2.864 -5.023 1.00 71.22 H new ATOM 1993 N ARG A 118 10.598 -0.680 -3.511 1.00 10.45 N ATOM 1994 CA ARG A 118 11.906 -0.268 -2.984 1.00 11.25 C ATOM 1995 C ARG A 118 12.078 1.257 -3.070 1.00 73.32 C ATOM 1996 O ARG A 118 12.647 1.878 -2.164 1.00 4.44 O ATOM 1997 CB ARG A 118 13.028 -1.017 -3.740 1.00 40.51 C ATOM 1998 CG ARG A 118 12.981 -2.550 -3.549 1.00 71.44 C ATOM 1999 CD ARG A 118 14.049 -3.292 -4.363 1.00 42.02 C ATOM 2000 NE ARG A 118 13.828 -3.196 -5.817 1.00 61.12 N ATOM 2001 CZ ARG A 118 14.798 -3.019 -6.734 1.00 3.10 C ATOM 2002 NH1 ARG A 118 16.075 -2.915 -6.365 1.00 2.03 N ATOM 2003 NH2 ARG A 118 14.495 -2.971 -8.011 1.00 52.31 N ATOM 0 H ARG A 118 10.658 -1.210 -4.381 1.00 10.45 H new ATOM 0 HA ARG A 118 11.968 -0.534 -1.929 1.00 11.25 H new ATOM 0 HB2 ARG A 118 12.954 -0.789 -4.803 1.00 40.51 H new ATOM 0 HB3 ARG A 118 13.995 -0.646 -3.400 1.00 40.51 H new ATOM 0 HG2 ARG A 118 13.112 -2.782 -2.492 1.00 71.44 H new ATOM 0 HG3 ARG A 118 11.995 -2.916 -3.836 1.00 71.44 H new ATOM 0 HD2 ARG A 118 15.031 -2.885 -4.122 1.00 42.02 H new ATOM 0 HD3 ARG A 118 14.058 -4.342 -4.070 1.00 42.02 H new ATOM 0 HE ARG A 118 12.868 -3.269 -6.154 1.00 61.12 H new ATOM 0 HH11 ARG A 118 16.327 -2.969 -5.378 1.00 2.03 H new ATOM 0 HH12 ARG A 118 16.800 -2.781 -7.070 1.00 2.03 H new ATOM 0 HH21 ARG A 118 13.524 -3.068 -8.309 1.00 52.31 H new ATOM 0 HH22 ARG A 118 15.230 -2.837 -8.705 1.00 52.31 H new ATOM 2017 N GLU A 119 11.546 1.850 -4.150 1.00 34.14 N ATOM 2018 CA GLU A 119 11.554 3.306 -4.347 1.00 45.23 C ATOM 2019 C GLU A 119 10.624 4.005 -3.334 1.00 71.14 C ATOM 2020 O GLU A 119 10.916 5.111 -2.878 1.00 15.15 O ATOM 2021 CB GLU A 119 11.155 3.656 -5.795 1.00 61.41 C ATOM 2022 CG GLU A 119 12.189 3.238 -6.860 1.00 63.33 C ATOM 2023 CD GLU A 119 11.824 3.665 -8.295 1.00 55.43 C ATOM 2024 OE1 GLU A 119 11.198 4.734 -8.472 1.00 72.24 O ATOM 2025 OE2 GLU A 119 12.209 2.968 -9.257 1.00 4.43 O ATOM 0 H GLU A 119 11.100 1.335 -4.909 1.00 34.14 H new ATOM 0 HA GLU A 119 12.567 3.669 -4.174 1.00 45.23 H new ATOM 0 HB2 GLU A 119 10.203 3.176 -6.023 1.00 61.41 H new ATOM 0 HB3 GLU A 119 10.994 4.732 -5.865 1.00 61.41 H new ATOM 0 HG2 GLU A 119 13.156 3.668 -6.600 1.00 63.33 H new ATOM 0 HG3 GLU A 119 12.304 2.154 -6.833 1.00 63.33 H new ATOM 2032 N PHE A 120 9.512 3.343 -2.986 1.00 4.41 N ATOM 2033 CA PHE A 120 8.611 3.797 -1.920 1.00 30.44 C ATOM 2034 C PHE A 120 9.330 3.800 -0.563 1.00 22.30 C ATOM 2035 O PHE A 120 9.142 4.722 0.233 1.00 21.31 O ATOM 2036 CB PHE A 120 7.327 2.918 -1.861 1.00 44.23 C ATOM 2037 CG PHE A 120 6.269 3.206 -2.932 1.00 32.24 C ATOM 2038 CD1 PHE A 120 6.239 4.421 -3.634 1.00 13.14 C ATOM 2039 CD2 PHE A 120 5.259 2.277 -3.192 1.00 11.34 C ATOM 2040 CE1 PHE A 120 5.246 4.682 -4.558 1.00 14.11 C ATOM 2041 CE2 PHE A 120 4.271 2.551 -4.107 1.00 14.12 C ATOM 2042 CZ PHE A 120 4.260 3.747 -4.788 1.00 72.23 C ATOM 0 H PHE A 120 9.213 2.478 -3.436 1.00 4.41 H new ATOM 0 HA PHE A 120 8.309 4.819 -2.149 1.00 30.44 H new ATOM 0 HB2 PHE A 120 7.622 1.872 -1.942 1.00 44.23 H new ATOM 0 HB3 PHE A 120 6.868 3.045 -0.881 1.00 44.23 H new ATOM 0 HD1 PHE A 120 7.003 5.162 -3.449 1.00 13.14 H new ATOM 0 HD2 PHE A 120 5.254 1.333 -2.668 1.00 11.34 H new ATOM 0 HE1 PHE A 120 5.242 5.617 -5.099 1.00 14.11 H new ATOM 0 HE2 PHE A 120 3.497 1.822 -4.293 1.00 14.12 H new ATOM 0 HZ PHE A 120 3.478 3.953 -5.504 1.00 72.23 H new ATOM 2052 N MET A 121 10.176 2.775 -0.333 1.00 53.33 N ATOM 2053 CA MET A 121 10.905 2.600 0.936 1.00 22.14 C ATOM 2054 C MET A 121 12.056 3.618 1.109 1.00 5.35 C ATOM 2055 O MET A 121 12.388 3.967 2.248 1.00 1.01 O ATOM 2056 CB MET A 121 11.406 1.137 1.095 1.00 0.03 C ATOM 2057 CG MET A 121 10.270 0.120 1.298 1.00 3.13 C ATOM 2058 SD MET A 121 10.855 -1.528 1.738 1.00 52.44 S ATOM 2059 CE MET A 121 11.713 -2.003 0.250 1.00 0.44 C ATOM 0 H MET A 121 10.371 2.048 -1.021 1.00 53.33 H new ATOM 0 HA MET A 121 10.196 2.803 1.738 1.00 22.14 H new ATOM 0 HB2 MET A 121 11.979 0.859 0.210 1.00 0.03 H new ATOM 0 HB3 MET A 121 12.087 1.084 1.945 1.00 0.03 H new ATOM 0 HG2 MET A 121 9.604 0.482 2.081 1.00 3.13 H new ATOM 0 HG3 MET A 121 9.681 0.056 0.383 1.00 3.13 H new ATOM 0 HE1 MET A 121 12.037 -3.040 0.332 1.00 0.44 H new ATOM 0 HE2 MET A 121 11.045 -1.898 -0.605 1.00 0.44 H new ATOM 0 HE3 MET A 121 12.583 -1.361 0.111 1.00 0.44 H new ATOM 2069 N GLN A 122 12.662 4.108 -0.002 1.00 63.23 N ATOM 2070 CA GLN A 122 13.740 5.132 0.081 1.00 64.24 C ATOM 2071 C GLN A 122 13.135 6.538 0.312 1.00 42.44 C ATOM 2072 O GLN A 122 13.724 7.359 1.028 1.00 41.41 O ATOM 2073 CB GLN A 122 14.673 5.103 -1.171 1.00 40.41 C ATOM 2074 CG GLN A 122 13.998 5.467 -2.509 1.00 55.15 C ATOM 2075 CD GLN A 122 14.904 5.414 -3.744 1.00 43.24 C ATOM 2076 OE1 GLN A 122 14.701 6.169 -4.700 1.00 51.52 O ATOM 2077 NE2 GLN A 122 15.868 4.510 -3.767 1.00 3.33 N ATOM 0 H GLN A 122 12.429 3.818 -0.952 1.00 63.23 H new ATOM 0 HA GLN A 122 14.367 4.887 0.939 1.00 64.24 H new ATOM 0 HB2 GLN A 122 15.501 5.792 -1.002 1.00 40.41 H new ATOM 0 HB3 GLN A 122 15.102 4.105 -1.260 1.00 40.41 H new ATOM 0 HG2 GLN A 122 13.158 4.791 -2.667 1.00 55.15 H new ATOM 0 HG3 GLN A 122 13.586 6.473 -2.426 1.00 55.15 H new ATOM 0 HE21 GLN A 122 16.014 3.899 -2.963 1.00 3.33 H new ATOM 0 HE22 GLN A 122 16.466 4.423 -4.589 1.00 3.33 H new ATOM 2086 N LYS A 123 11.941 6.803 -0.281 1.00 21.02 N ATOM 2087 CA LYS A 123 11.154 8.037 -0.002 1.00 64.42 C ATOM 2088 C LYS A 123 10.591 7.997 1.428 1.00 2.13 C ATOM 2089 O LYS A 123 10.396 9.038 2.065 1.00 21.45 O ATOM 2090 CB LYS A 123 9.994 8.243 -1.038 1.00 14.04 C ATOM 2091 CG LYS A 123 10.390 8.978 -2.339 1.00 73.43 C ATOM 2092 CD LYS A 123 11.359 8.178 -3.228 1.00 20.01 C ATOM 2093 CE LYS A 123 11.782 8.945 -4.485 1.00 75.24 C ATOM 2094 NZ LYS A 123 12.688 8.138 -5.338 1.00 51.05 N ATOM 0 H LYS A 123 11.501 6.178 -0.956 1.00 21.02 H new ATOM 0 HA LYS A 123 11.832 8.885 -0.099 1.00 64.42 H new ATOM 0 HB2 LYS A 123 9.588 7.267 -1.302 1.00 14.04 H new ATOM 0 HB3 LYS A 123 9.193 8.802 -0.554 1.00 14.04 H new ATOM 0 HG2 LYS A 123 9.488 9.202 -2.909 1.00 73.43 H new ATOM 0 HG3 LYS A 123 10.850 9.932 -2.082 1.00 73.43 H new ATOM 0 HD2 LYS A 123 12.246 7.920 -2.650 1.00 20.01 H new ATOM 0 HD3 LYS A 123 10.886 7.241 -3.522 1.00 20.01 H new ATOM 0 HE2 LYS A 123 10.897 9.225 -5.056 1.00 75.24 H new ATOM 0 HE3 LYS A 123 12.281 9.870 -4.197 1.00 75.24 H new ATOM 0 HZ1 LYS A 123 13.300 8.772 -5.891 1.00 51.05 H new ATOM 0 HZ2 LYS A 123 13.276 7.526 -4.737 1.00 51.05 H new ATOM 0 HZ3 LYS A 123 12.124 7.550 -5.984 1.00 51.05 H new ATOM 2108 N ALA A 124 10.326 6.777 1.906 1.00 32.13 N ATOM 2109 CA ALA A 124 9.842 6.532 3.265 1.00 73.50 C ATOM 2110 C ALA A 124 10.993 6.646 4.281 1.00 61.24 C ATOM 2111 O ALA A 124 10.773 7.002 5.437 1.00 32.52 O ATOM 2112 CB ALA A 124 9.172 5.160 3.337 1.00 1.14 C ATOM 0 H ALA A 124 10.443 5.927 1.355 1.00 32.13 H new ATOM 0 HA ALA A 124 9.102 7.290 3.521 1.00 73.50 H new ATOM 0 HB1 ALA A 124 8.814 4.983 4.351 1.00 1.14 H new ATOM 0 HB2 ALA A 124 8.331 5.129 2.644 1.00 1.14 H new ATOM 0 HB3 ALA A 124 9.893 4.388 3.067 1.00 1.14 H new ATOM 2118 N GLY A 125 12.225 6.333 3.830 1.00 24.35 N ATOM 2119 CA GLY A 125 13.426 6.520 4.652 1.00 34.35 C ATOM 2120 C GLY A 125 13.697 7.994 4.951 1.00 1.35 C ATOM 2121 O GLY A 125 14.344 8.336 5.954 1.00 73.40 O ATOM 0 H GLY A 125 12.408 5.951 2.902 1.00 24.35 H new ATOM 0 HA2 GLY A 125 13.311 5.976 5.590 1.00 34.35 H new ATOM 0 HA3 GLY A 125 14.286 6.091 4.138 1.00 34.35 H new ATOM 2125 N SER A 126 13.175 8.865 4.065 1.00 72.43 N ATOM 2126 CA SER A 126 13.251 10.326 4.199 1.00 4.53 C ATOM 2127 C SER A 126 12.302 10.820 5.320 1.00 53.43 C ATOM 2128 O SER A 126 12.509 11.898 5.882 1.00 62.50 O ATOM 2129 CB SER A 126 12.893 10.980 2.836 1.00 65.41 C ATOM 2130 OG SER A 126 13.033 12.389 2.870 1.00 61.30 O ATOM 0 H SER A 126 12.682 8.564 3.224 1.00 72.43 H new ATOM 0 HA SER A 126 14.265 10.615 4.477 1.00 4.53 H new ATOM 0 HB2 SER A 126 13.537 10.571 2.057 1.00 65.41 H new ATOM 0 HB3 SER A 126 11.868 10.724 2.569 1.00 65.41 H new ATOM 0 HG SER A 126 12.800 12.762 1.994 1.00 61.30 H new ATOM 2136 N LEU A 127 11.279 9.995 5.649 1.00 4.30 N ATOM 2137 CA LEU A 127 10.251 10.319 6.665 1.00 21.12 C ATOM 2138 C LEU A 127 10.775 10.067 8.090 1.00 34.32 C ATOM 2139 O LEU A 127 10.148 10.496 9.062 1.00 73.21 O ATOM 2140 CB LEU A 127 8.969 9.482 6.422 1.00 11.14 C ATOM 2141 CG LEU A 127 8.328 9.617 5.011 1.00 42.13 C ATOM 2142 CD1 LEU A 127 7.175 8.615 4.837 1.00 65.05 C ATOM 2143 CD2 LEU A 127 7.866 11.067 4.732 1.00 15.12 C ATOM 0 H LEU A 127 11.144 9.082 5.214 1.00 4.30 H new ATOM 0 HA LEU A 127 10.013 11.378 6.569 1.00 21.12 H new ATOM 0 HB2 LEU A 127 9.206 8.432 6.593 1.00 11.14 H new ATOM 0 HB3 LEU A 127 8.226 9.767 7.167 1.00 11.14 H new ATOM 0 HG LEU A 127 9.094 9.378 4.273 1.00 42.13 H new ATOM 0 HD11 LEU A 127 6.742 8.728 3.843 1.00 65.05 H new ATOM 0 HD12 LEU A 127 7.554 7.600 4.955 1.00 65.05 H new ATOM 0 HD13 LEU A 127 6.410 8.806 5.590 1.00 65.05 H new ATOM 0 HD21 LEU A 127 7.423 11.123 3.737 1.00 15.12 H new ATOM 0 HD22 LEU A 127 7.126 11.362 5.476 1.00 15.12 H new ATOM 0 HD23 LEU A 127 8.723 11.739 4.786 1.00 15.12 H new ATOM 2155 N GLU A 128 11.906 9.326 8.213 1.00 64.41 N ATOM 2156 CA GLU A 128 12.614 9.146 9.502 1.00 3.32 C ATOM 2157 C GLU A 128 13.133 10.509 10.014 1.00 51.53 C ATOM 2158 O GLU A 128 13.261 10.740 11.227 1.00 42.42 O ATOM 2159 CB GLU A 128 13.767 8.119 9.351 1.00 53.32 C ATOM 2160 CG GLU A 128 14.516 7.797 10.666 1.00 21.15 C ATOM 2161 CD GLU A 128 15.579 6.699 10.515 1.00 12.44 C ATOM 2162 OE1 GLU A 128 16.737 7.016 10.165 1.00 32.34 O ATOM 2163 OE2 GLU A 128 15.263 5.512 10.740 1.00 64.35 O ATOM 0 H GLU A 128 12.347 8.843 7.430 1.00 64.41 H new ATOM 0 HA GLU A 128 11.917 8.750 10.240 1.00 3.32 H new ATOM 0 HB2 GLU A 128 13.361 7.193 8.943 1.00 53.32 H new ATOM 0 HB3 GLU A 128 14.484 8.501 8.624 1.00 53.32 H new ATOM 0 HG2 GLU A 128 14.993 8.705 11.034 1.00 21.15 H new ATOM 0 HG3 GLU A 128 13.792 7.489 11.421 1.00 21.15 H new ATOM 2170 N HIS A 129 13.397 11.409 9.052 1.00 13.12 N ATOM 2171 CA HIS A 129 13.705 12.823 9.313 1.00 25.24 C ATOM 2172 C HIS A 129 12.378 13.560 9.536 1.00 2.31 C ATOM 2173 O HIS A 129 11.391 13.254 8.848 1.00 15.53 O ATOM 2174 CB HIS A 129 14.481 13.422 8.110 1.00 41.44 C ATOM 2175 CG HIS A 129 15.645 12.572 7.683 1.00 65.13 C ATOM 2176 ND1 HIS A 129 15.711 11.956 6.455 1.00 75.45 N ATOM 2177 CD2 HIS A 129 16.766 12.198 8.347 1.00 64.14 C ATOM 2178 CE1 HIS A 129 16.814 11.239 6.385 1.00 13.21 C ATOM 2179 NE2 HIS A 129 17.470 11.367 7.519 1.00 20.10 N ATOM 0 H HIS A 129 13.402 11.171 8.060 1.00 13.12 H new ATOM 0 HA HIS A 129 14.334 12.927 10.197 1.00 25.24 H new ATOM 0 HB2 HIS A 129 13.799 13.544 7.269 1.00 41.44 H new ATOM 0 HB3 HIS A 129 14.841 14.416 8.375 1.00 41.44 H new ATOM 0 HD2 HIS A 129 17.050 12.500 9.344 1.00 64.14 H new ATOM 0 HE1 HIS A 129 17.128 10.646 5.539 1.00 13.21 H new ATOM 0 HE2 HIS A 129 18.359 10.919 7.744 1.00 20.10 H new ATOM 2188 N HIS A 130 12.360 14.509 10.503 1.00 33.44 N ATOM 2189 CA HIS A 130 11.137 15.235 10.916 1.00 44.43 C ATOM 2190 C HIS A 130 10.458 15.926 9.702 1.00 64.01 C ATOM 2191 O HIS A 130 10.934 16.943 9.197 1.00 3.30 O ATOM 2192 CB HIS A 130 11.449 16.243 12.069 1.00 71.33 C ATOM 2193 CG HIS A 130 12.474 17.315 11.767 1.00 63.42 C ATOM 2194 ND1 HIS A 130 12.141 18.575 11.319 1.00 73.43 N ATOM 2195 CD2 HIS A 130 13.820 17.313 11.868 1.00 41.52 C ATOM 2196 CE1 HIS A 130 13.231 19.293 11.163 1.00 75.02 C ATOM 2197 NE2 HIS A 130 14.265 18.547 11.489 1.00 64.42 N ATOM 0 H HIS A 130 13.194 14.792 11.018 1.00 33.44 H new ATOM 0 HA HIS A 130 10.424 14.509 11.307 1.00 44.43 H new ATOM 0 HB2 HIS A 130 10.518 16.732 12.357 1.00 71.33 H new ATOM 0 HB3 HIS A 130 11.792 15.676 12.935 1.00 71.33 H new ATOM 0 HD2 HIS A 130 14.434 16.485 12.190 1.00 41.52 H new ATOM 0 HE1 HIS A 130 13.271 20.318 10.826 1.00 75.02 H new ATOM 0 HE2 HIS A 130 15.241 18.843 11.463 1.00 64.42 H new ATOM 2206 N HIS A 131 9.373 15.309 9.205 1.00 5.50 N ATOM 2207 CA HIS A 131 8.673 15.748 7.993 1.00 73.25 C ATOM 2208 C HIS A 131 7.527 16.695 8.388 1.00 52.02 C ATOM 2209 O HIS A 131 6.570 16.269 9.043 1.00 63.30 O ATOM 2210 CB HIS A 131 8.134 14.515 7.209 1.00 32.23 C ATOM 2211 CG HIS A 131 7.593 14.841 5.836 1.00 72.40 C ATOM 2212 ND1 HIS A 131 8.321 14.653 4.677 1.00 4.22 N ATOM 2213 CD2 HIS A 131 6.397 15.337 5.441 1.00 70.33 C ATOM 2214 CE1 HIS A 131 7.593 15.019 3.641 1.00 33.44 C ATOM 2215 NE2 HIS A 131 6.426 15.435 4.080 1.00 35.54 N ATOM 0 H HIS A 131 8.956 14.485 9.639 1.00 5.50 H new ATOM 0 HA HIS A 131 9.364 16.283 7.341 1.00 73.25 H new ATOM 0 HB2 HIS A 131 8.937 13.785 7.107 1.00 32.23 H new ATOM 0 HB3 HIS A 131 7.346 14.042 7.795 1.00 32.23 H new ATOM 0 HD2 HIS A 131 5.572 15.606 6.084 1.00 70.33 H new ATOM 0 HE1 HIS A 131 7.903 14.983 2.607 1.00 33.44 H new ATOM 0 HE2 HIS A 131 5.663 15.777 3.496 1.00 35.54 H new ATOM 2224 N HIS A 132 7.650 17.973 7.989 1.00 23.51 N ATOM 2225 CA HIS A 132 6.655 19.018 8.276 1.00 11.33 C ATOM 2226 C HIS A 132 5.412 18.841 7.390 1.00 15.15 C ATOM 2227 O HIS A 132 5.517 18.839 6.160 1.00 32.31 O ATOM 2228 CB HIS A 132 7.271 20.422 8.040 1.00 4.30 C ATOM 2229 CG HIS A 132 6.308 21.572 8.239 1.00 31.01 C ATOM 2230 ND1 HIS A 132 5.587 22.135 7.209 1.00 73.35 N ATOM 2231 CD2 HIS A 132 5.954 22.253 9.351 1.00 21.02 C ATOM 2232 CE1 HIS A 132 4.837 23.106 7.684 1.00 23.13 C ATOM 2233 NE2 HIS A 132 5.037 23.198 8.981 1.00 23.13 N ATOM 0 H HIS A 132 8.450 18.311 7.454 1.00 23.51 H new ATOM 0 HA HIS A 132 6.356 18.928 9.320 1.00 11.33 H new ATOM 0 HB2 HIS A 132 8.117 20.552 8.715 1.00 4.30 H new ATOM 0 HB3 HIS A 132 7.665 20.466 7.024 1.00 4.30 H new ATOM 0 HD2 HIS A 132 6.327 22.082 10.350 1.00 21.02 H new ATOM 0 HE1 HIS A 132 4.168 23.725 7.105 1.00 23.13 H new ATOM 0 HE2 HIS A 132 4.583 23.864 9.607 1.00 23.13 H new ATOM 2242 N HIS A 133 4.253 18.686 8.033 1.00 53.15 N ATOM 2243 CA HIS A 133 2.934 18.754 7.384 1.00 71.45 C ATOM 2244 C HIS A 133 2.151 19.924 8.003 1.00 41.23 C ATOM 2245 O HIS A 133 2.493 20.385 9.106 1.00 61.21 O ATOM 2246 CB HIS A 133 2.157 17.409 7.543 1.00 22.30 C ATOM 2247 CG HIS A 133 1.620 17.110 8.932 1.00 43.31 C ATOM 2248 ND1 HIS A 133 2.297 16.350 9.852 1.00 30.43 N ATOM 2249 CD2 HIS A 133 0.443 17.441 9.529 1.00 63.34 C ATOM 2250 CE1 HIS A 133 1.562 16.220 10.939 1.00 22.20 C ATOM 2251 NE2 HIS A 133 0.436 16.874 10.768 1.00 74.25 N ATOM 0 H HIS A 133 4.199 18.507 9.036 1.00 53.15 H new ATOM 0 HA HIS A 133 3.059 18.920 6.314 1.00 71.45 H new ATOM 0 HB2 HIS A 133 1.320 17.411 6.844 1.00 22.30 H new ATOM 0 HB3 HIS A 133 2.817 16.594 7.247 1.00 22.30 H new ATOM 0 HD2 HIS A 133 -0.343 18.044 9.099 1.00 63.34 H new ATOM 0 HE1 HIS A 133 1.840 15.667 11.824 1.00 22.20 H new ATOM 0 HE2 HIS A 133 -0.319 16.946 11.450 1.00 74.25 H new ATOM 2260 N HIS A 134 1.112 20.399 7.292 1.00 50.21 N ATOM 2261 CA HIS A 134 0.201 21.439 7.800 1.00 14.14 C ATOM 2262 C HIS A 134 -0.698 20.834 8.919 1.00 53.32 C ATOM 2263 O HIS A 134 -0.451 21.107 10.113 1.00 11.22 O ATOM 2264 CB HIS A 134 -0.651 22.045 6.645 1.00 65.11 C ATOM 2265 CG HIS A 134 -1.572 23.162 7.089 1.00 22.52 C ATOM 2266 ND1 HIS A 134 -2.713 22.943 7.836 1.00 1.05 N ATOM 2267 CD2 HIS A 134 -1.497 24.504 6.921 1.00 62.01 C ATOM 2268 CE1 HIS A 134 -3.291 24.092 8.107 1.00 62.52 C ATOM 2269 NE2 HIS A 134 -2.573 25.056 7.565 1.00 63.24 N ATOM 2270 OXT HIS A 134 -1.622 20.056 8.593 1.00 36.99 O ATOM 0 H HIS A 134 0.882 20.074 6.353 1.00 50.21 H new ATOM 0 HA HIS A 134 0.786 22.255 8.225 1.00 14.14 H new ATOM 0 HB2 HIS A 134 0.018 22.423 5.872 1.00 65.11 H new ATOM 0 HB3 HIS A 134 -1.247 21.253 6.191 1.00 65.11 H new ATOM 0 HD2 HIS A 134 -0.731 25.040 6.380 1.00 62.01 H new ATOM 0 HE1 HIS A 134 -4.199 24.224 8.676 1.00 62.52 H new ATOM 0 HE2 HIS A 134 -2.785 26.052 7.617 1.00 63.24 H new TER 2279 HIS A 134