USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 766 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 84 GLN : amide:sc= -4.74! K(o=-4.6!,f=-0.72) USER MOD Set 1.2: A 87 CYS SG : rot -111:sc= 0.133 USER MOD Set 2.1: A 79 SER OG : rot 180:sc= -0.0063 USER MOD Set 2.2: A 83 MET CE :methyl 143:sc= -0.814 (180deg=-1.55) USER MOD Set 3.1: A 55 THR OG1 : rot -138:sc= 0.275 USER MOD Set 3.2: A 95 LYS NZ :NH3+ 165:sc= 1.91 (180deg=0.926) USER MOD Set 4.1: A 7 MET CE :methyl 169:sc= -0.0307 (180deg=-0.246) USER MOD Set 4.2: A 39 ASN : amide:sc= -0.885 K(o=0.073,f=-4.7!) USER MOD Set 4.3: A 40 SER OG : rot 43:sc= 0.988 USER MOD Set 5.1: A 10 THR OG1 : rot 160:sc= -1.79! USER MOD Set 5.2: A 19 SER OG : rot 57:sc= -1.03 USER MOD Set 6.1: A 3 LYS NZ :NH3+ 178:sc= -0.961 (180deg=-1.02) USER MOD Set 6.2: A 85 ASN : amide:sc= -11.2! C(o=-12!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00364 (180deg=-0.197) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 9 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.064) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 170:sc= -1.24 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -0.825 K(o=-0.83,f=-2.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.0352 USER MOD Single : A 36 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.8!) USER MOD Single : A 37 GLN : amide:sc= -0.225 K(o=-0.23,f=-0.78) USER MOD Single : A 45 GLN : amide:sc= -0.927 K(o=-0.93,f=0) USER MOD Single : A 49 GLN : amide:sc=-0.00666 K(o=-0.0067,f=-2.6!) USER MOD Single : A 62 GLN : amide:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= -0.0184 (180deg=-0.141) USER MOD Single : A 67 LYS NZ :NH3+ -149:sc= 2.28 (180deg=-0.0199) USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= -2.6! (180deg=-4.52!) USER MOD Single : A 70 SER OG : rot 24:sc= 0.933 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -140:sc= -0.398 USER MOD Single : A 90 MET CE :methyl -131:sc= -0.194 (180deg=-2.93!) USER MOD Single : A 96 SER OG : rot 148:sc= 0.608 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.185 13.239 -8.471 1.00 4.19 N ATOM 2 CA MET A 1 2.612 12.005 -9.169 1.00 3.57 C ATOM 3 C MET A 1 4.030 11.618 -8.758 1.00 2.58 C ATOM 4 O MET A 1 4.347 10.435 -8.637 1.00 2.86 O ATOM 5 CB MET A 1 2.537 12.206 -10.684 1.00 4.32 C ATOM 6 CG MET A 1 2.892 10.965 -11.488 1.00 5.05 C ATOM 7 SD MET A 1 1.755 9.594 -11.200 1.00 6.03 S ATOM 8 CE MET A 1 2.433 8.364 -12.314 1.00 6.63 C ATOM 0 H1 MET A 1 1.162 13.375 -8.601 1.00 4.19 H new ATOM 0 H2 MET A 1 2.397 13.155 -7.456 1.00 4.19 H new ATOM 0 H3 MET A 1 2.695 14.055 -8.865 1.00 4.19 H new ATOM 0 HA MET A 1 1.939 11.196 -8.885 1.00 3.57 H new ATOM 0 HB2 MET A 1 1.528 12.523 -10.949 1.00 4.32 H new ATOM 0 HB3 MET A 1 3.210 13.015 -10.967 1.00 4.32 H new ATOM 0 HG2 MET A 1 2.892 11.213 -12.549 1.00 5.05 H new ATOM 0 HG3 MET A 1 3.904 10.651 -11.234 1.00 5.05 H new ATOM 0 HE1 MET A 1 1.839 7.452 -12.254 1.00 6.63 H new ATOM 0 HE2 MET A 1 2.410 8.745 -13.335 1.00 6.63 H new ATOM 0 HE3 MET A 1 3.463 8.146 -12.032 1.00 6.63 H new ATOM 19 N ALA A 2 4.875 12.626 -8.539 1.00 2.10 N ATOM 20 CA ALA A 2 6.271 12.407 -8.164 1.00 1.89 C ATOM 21 C ALA A 2 6.389 11.540 -6.915 1.00 1.69 C ATOM 22 O ALA A 2 5.881 11.892 -5.847 1.00 2.38 O ATOM 23 CB ALA A 2 6.967 13.739 -7.944 1.00 2.89 C ATOM 0 H ALA A 2 4.614 13.609 -8.616 1.00 2.10 H new ATOM 0 HA ALA A 2 6.756 11.876 -8.983 1.00 1.89 H new ATOM 0 HB1 ALA A 2 8.006 13.565 -7.665 1.00 2.89 H new ATOM 0 HB2 ALA A 2 6.931 14.324 -8.863 1.00 2.89 H new ATOM 0 HB3 ALA A 2 6.464 14.285 -7.146 1.00 2.89 H new ATOM 29 N LYS A 3 7.057 10.404 -7.058 1.00 1.22 N ATOM 30 CA LYS A 3 7.220 9.470 -5.956 1.00 0.97 C ATOM 31 C LYS A 3 8.359 8.483 -6.207 1.00 1.06 C ATOM 32 O LYS A 3 9.155 8.224 -5.312 1.00 1.96 O ATOM 33 CB LYS A 3 5.909 8.713 -5.712 1.00 0.75 C ATOM 34 CG LYS A 3 6.114 7.282 -5.243 1.00 0.46 C ATOM 35 CD LYS A 3 4.839 6.657 -4.706 1.00 0.42 C ATOM 36 CE LYS A 3 4.705 6.851 -3.202 1.00 0.29 C ATOM 37 NZ LYS A 3 4.648 8.282 -2.792 1.00 0.44 N ATOM 0 H LYS A 3 7.496 10.107 -7.930 1.00 1.22 H new ATOM 0 HA LYS A 3 7.478 10.048 -5.069 1.00 0.97 H new ATOM 0 HB2 LYS A 3 5.321 9.250 -4.968 1.00 0.75 H new ATOM 0 HB3 LYS A 3 5.326 8.705 -6.633 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.488 6.681 -6.072 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.879 7.264 -4.466 1.00 0.46 H new ATOM 0 HD2 LYS A 3 3.978 7.099 -5.208 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.831 5.592 -4.937 1.00 0.42 H new ATOM 0 HE2 LYS A 3 3.803 6.346 -2.857 1.00 0.29 H new ATOM 0 HE3 LYS A 3 5.548 6.372 -2.705 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 4.523 8.343 -1.761 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 5.533 8.756 -3.062 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 3.848 8.747 -3.266 1.00 0.44 H new ATOM 51 N THR A 4 8.421 7.954 -7.426 1.00 0.55 N ATOM 52 CA THR A 4 9.354 6.880 -7.793 1.00 0.59 C ATOM 53 C THR A 4 10.740 7.039 -7.159 1.00 0.59 C ATOM 54 O THR A 4 11.194 6.155 -6.427 1.00 0.84 O ATOM 55 CB THR A 4 9.501 6.806 -9.322 1.00 0.79 C ATOM 56 OG1 THR A 4 8.203 6.858 -9.929 1.00 1.37 O ATOM 57 CG2 THR A 4 10.209 5.526 -9.740 1.00 1.30 C ATOM 0 H THR A 4 7.824 8.257 -8.195 1.00 0.55 H new ATOM 0 HA THR A 4 8.925 5.956 -7.405 1.00 0.59 H new ATOM 0 HB THR A 4 10.101 7.654 -9.654 1.00 0.79 H new ATOM 0 HG1 THR A 4 8.296 6.813 -10.904 1.00 1.37 H new ATOM 0 HG21 THR A 4 10.300 5.499 -10.826 1.00 1.30 H new ATOM 0 HG22 THR A 4 11.202 5.496 -9.292 1.00 1.30 H new ATOM 0 HG23 THR A 4 9.633 4.665 -9.402 1.00 1.30 H new ATOM 65 N GLU A 5 11.394 8.169 -7.409 1.00 0.65 N ATOM 66 CA GLU A 5 12.740 8.395 -6.897 1.00 0.77 C ATOM 67 C GLU A 5 12.708 8.917 -5.463 1.00 0.71 C ATOM 68 O GLU A 5 13.068 10.062 -5.195 1.00 1.25 O ATOM 69 CB GLU A 5 13.498 9.365 -7.803 1.00 1.05 C ATOM 70 CG GLU A 5 13.683 8.844 -9.217 1.00 1.70 C ATOM 71 CD GLU A 5 14.589 7.629 -9.285 1.00 2.55 C ATOM 72 OE1 GLU A 5 14.230 6.572 -8.729 1.00 3.43 O ATOM 73 OE2 GLU A 5 15.674 7.726 -9.901 1.00 2.70 O ATOM 0 H GLU A 5 11.015 8.939 -7.961 1.00 0.65 H new ATOM 0 HA GLU A 5 13.262 7.438 -6.892 1.00 0.77 H new ATOM 0 HB2 GLU A 5 12.961 10.313 -7.840 1.00 1.05 H new ATOM 0 HB3 GLU A 5 14.476 9.570 -7.367 1.00 1.05 H new ATOM 0 HG2 GLU A 5 12.709 8.589 -9.635 1.00 1.70 H new ATOM 0 HG3 GLU A 5 14.099 9.636 -9.839 1.00 1.70 H new ATOM 80 N GLU A 6 12.257 8.068 -4.556 1.00 0.58 N ATOM 81 CA GLU A 6 12.262 8.378 -3.134 1.00 0.45 C ATOM 82 C GLU A 6 12.866 7.232 -2.339 1.00 0.38 C ATOM 83 O GLU A 6 14.070 7.189 -2.095 1.00 0.44 O ATOM 84 CB GLU A 6 10.846 8.613 -2.611 1.00 0.45 C ATOM 85 CG GLU A 6 10.230 9.950 -2.962 1.00 0.66 C ATOM 86 CD GLU A 6 10.939 11.118 -2.317 1.00 1.75 C ATOM 87 OE1 GLU A 6 10.838 11.262 -1.079 1.00 2.53 O ATOM 88 OE2 GLU A 6 11.559 11.915 -3.046 1.00 2.17 O ATOM 0 H GLU A 6 11.878 7.148 -4.781 1.00 0.58 H new ATOM 0 HA GLU A 6 12.856 9.284 -3.010 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.200 7.824 -2.997 1.00 0.45 H new ATOM 0 HB3 GLU A 6 10.858 8.513 -1.526 1.00 0.45 H new ATOM 0 HG2 GLU A 6 10.245 10.077 -4.044 1.00 0.66 H new ATOM 0 HG3 GLU A 6 9.184 9.953 -2.655 1.00 0.66 H new ATOM 95 N MET A 7 11.994 6.286 -1.982 1.00 0.32 N ATOM 96 CA MET A 7 12.321 5.221 -1.051 1.00 0.29 C ATOM 97 C MET A 7 12.922 5.792 0.223 1.00 0.34 C ATOM 98 O MET A 7 14.022 5.424 0.623 1.00 0.70 O ATOM 99 CB MET A 7 13.241 4.174 -1.686 1.00 0.35 C ATOM 100 CG MET A 7 12.477 3.105 -2.441 1.00 0.30 C ATOM 101 SD MET A 7 13.543 2.034 -3.425 1.00 0.45 S ATOM 102 CE MET A 7 14.552 1.287 -2.146 1.00 1.60 C ATOM 0 H MET A 7 11.038 6.243 -2.336 1.00 0.32 H new ATOM 0 HA MET A 7 11.395 4.710 -0.789 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.933 4.670 -2.367 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.842 3.704 -0.907 1.00 0.35 H new ATOM 0 HG2 MET A 7 11.917 2.497 -1.730 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.748 3.582 -3.096 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.124 0.461 -2.569 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.237 2.032 -1.741 1.00 1.60 H new ATOM 0 HE3 MET A 7 13.910 0.913 -1.349 1.00 1.60 H new ATOM 112 N VAL A 8 12.182 6.716 0.839 1.00 0.31 N ATOM 113 CA VAL A 8 12.606 7.332 2.089 1.00 0.30 C ATOM 114 C VAL A 8 11.517 8.298 2.622 1.00 0.31 C ATOM 115 O VAL A 8 11.735 9.497 2.799 1.00 0.46 O ATOM 116 CB VAL A 8 13.977 8.049 1.896 1.00 0.39 C ATOM 117 CG1 VAL A 8 13.892 9.142 0.838 1.00 1.50 C ATOM 118 CG2 VAL A 8 14.523 8.601 3.203 1.00 1.12 C ATOM 0 H VAL A 8 11.285 7.052 0.488 1.00 0.31 H new ATOM 0 HA VAL A 8 12.741 6.554 2.841 1.00 0.30 H new ATOM 0 HB VAL A 8 14.679 7.293 1.544 1.00 0.39 H new ATOM 0 HG11 VAL A 8 14.865 9.620 0.730 1.00 1.50 H new ATOM 0 HG12 VAL A 8 13.595 8.704 -0.115 1.00 1.50 H new ATOM 0 HG13 VAL A 8 13.154 9.885 1.141 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.479 9.092 3.020 1.00 1.12 H new ATOM 0 HG22 VAL A 8 13.818 9.323 3.616 1.00 1.12 H new ATOM 0 HG23 VAL A 8 14.664 7.785 3.912 1.00 1.12 H new ATOM 128 N GLN A 9 10.323 7.759 2.873 1.00 0.23 N ATOM 129 CA GLN A 9 9.240 8.545 3.453 1.00 0.24 C ATOM 130 C GLN A 9 8.900 8.075 4.878 1.00 0.26 C ATOM 131 O GLN A 9 9.055 8.834 5.833 1.00 0.38 O ATOM 132 CB GLN A 9 8.010 8.491 2.549 1.00 0.26 C ATOM 133 CG GLN A 9 8.145 9.323 1.285 1.00 0.31 C ATOM 134 CD GLN A 9 8.122 10.815 1.552 1.00 1.15 C ATOM 135 OE1 GLN A 9 7.057 11.432 1.586 1.00 1.97 O ATOM 136 NE2 GLN A 9 9.290 11.409 1.725 1.00 1.86 N ATOM 0 H GLN A 9 10.085 6.785 2.684 1.00 0.23 H new ATOM 0 HA GLN A 9 9.574 9.580 3.528 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.818 7.454 2.272 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.142 8.837 3.110 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.078 9.064 0.784 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.335 9.069 0.602 1.00 0.31 H new ATOM 0 HE21 GLN A 9 10.150 10.862 1.690 1.00 1.86 H new ATOM 0 HE22 GLN A 9 9.331 12.414 1.894 1.00 1.86 H new ATOM 145 N THR A 10 8.451 6.828 5.023 1.00 0.21 N ATOM 146 CA THR A 10 8.123 6.272 6.342 1.00 0.21 C ATOM 147 C THR A 10 8.929 4.998 6.606 1.00 0.21 C ATOM 148 O THR A 10 8.721 3.980 5.945 1.00 0.21 O ATOM 149 CB THR A 10 6.620 5.939 6.450 1.00 0.23 C ATOM 150 OG1 THR A 10 5.838 7.065 6.025 1.00 0.26 O ATOM 151 CG2 THR A 10 6.248 5.574 7.879 1.00 0.28 C ATOM 0 H THR A 10 8.305 6.183 4.247 1.00 0.21 H new ATOM 0 HA THR A 10 8.376 7.029 7.084 1.00 0.21 H new ATOM 0 HB THR A 10 6.413 5.085 5.806 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.935 6.766 5.788 1.00 0.26 H new ATOM 0 HG21 THR A 10 5.184 5.343 7.930 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.824 4.704 8.194 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.470 6.413 8.538 1.00 0.28 H new ATOM 159 N GLU A 11 9.856 5.053 7.555 1.00 0.25 N ATOM 160 CA GLU A 11 10.765 3.937 7.786 1.00 0.28 C ATOM 161 C GLU A 11 10.358 3.102 9.001 1.00 0.25 C ATOM 162 O GLU A 11 9.768 3.598 9.961 1.00 0.40 O ATOM 163 CB GLU A 11 12.201 4.456 7.918 1.00 0.45 C ATOM 164 CG GLU A 11 13.258 3.382 8.095 1.00 0.47 C ATOM 165 CD GLU A 11 14.649 3.968 8.195 1.00 0.70 C ATOM 166 OE1 GLU A 11 15.179 4.423 7.164 1.00 1.50 O ATOM 167 OE2 GLU A 11 15.227 3.960 9.305 1.00 1.15 O ATOM 0 H GLU A 11 9.998 5.852 8.173 1.00 0.25 H new ATOM 0 HA GLU A 11 10.709 3.271 6.925 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.443 5.040 7.030 1.00 0.45 H new ATOM 0 HB3 GLU A 11 12.249 5.135 8.769 1.00 0.45 H new ATOM 0 HG2 GLU A 11 13.042 2.805 8.994 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.216 2.689 7.254 1.00 0.47 H new ATOM 174 N GLU A 12 10.688 1.822 8.917 1.00 0.31 N ATOM 175 CA GLU A 12 10.333 0.818 9.900 1.00 0.31 C ATOM 176 C GLU A 12 11.440 -0.237 9.893 1.00 0.33 C ATOM 177 O GLU A 12 12.371 -0.126 9.097 1.00 0.50 O ATOM 178 CB GLU A 12 8.968 0.209 9.530 1.00 0.38 C ATOM 179 CG GLU A 12 8.439 -0.838 10.498 1.00 0.56 C ATOM 180 CD GLU A 12 8.384 -0.345 11.923 1.00 0.89 C ATOM 181 OE1 GLU A 12 7.480 0.446 12.251 1.00 1.56 O ATOM 182 OE2 GLU A 12 9.243 -0.763 12.726 1.00 1.37 O ATOM 0 H GLU A 12 11.227 1.445 8.137 1.00 0.31 H new ATOM 0 HA GLU A 12 10.244 1.243 10.900 1.00 0.31 H new ATOM 0 HB2 GLU A 12 8.237 1.014 9.457 1.00 0.38 H new ATOM 0 HB3 GLU A 12 9.046 -0.241 8.540 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.440 -1.143 10.185 1.00 0.56 H new ATOM 0 HG3 GLU A 12 9.073 -1.724 10.449 1.00 0.56 H new ATOM 189 N MET A 13 11.343 -1.252 10.744 1.00 0.38 N ATOM 190 CA MET A 13 12.434 -2.212 10.925 1.00 0.46 C ATOM 191 C MET A 13 12.910 -2.855 9.615 1.00 0.40 C ATOM 192 O MET A 13 14.114 -3.051 9.436 1.00 0.49 O ATOM 193 CB MET A 13 12.023 -3.298 11.923 1.00 0.61 C ATOM 194 CG MET A 13 11.830 -2.776 13.338 1.00 0.92 C ATOM 195 SD MET A 13 11.337 -4.065 14.498 1.00 1.76 S ATOM 196 CE MET A 13 11.276 -3.133 16.028 1.00 2.64 C ATOM 0 H MET A 13 10.522 -1.434 11.321 1.00 0.38 H new ATOM 0 HA MET A 13 13.279 -1.644 11.316 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.096 -3.760 11.584 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.783 -4.079 11.932 1.00 0.61 H new ATOM 0 HG2 MET A 13 12.758 -2.320 13.682 1.00 0.92 H new ATOM 0 HG3 MET A 13 11.073 -1.991 13.331 1.00 0.92 H new ATOM 0 HE1 MET A 13 10.984 -3.793 16.845 1.00 2.64 H new ATOM 0 HE2 MET A 13 12.259 -2.711 16.236 1.00 2.64 H new ATOM 0 HE3 MET A 13 10.548 -2.328 15.935 1.00 2.64 H new ATOM 206 N GLU A 14 12.002 -3.196 8.698 1.00 0.30 N ATOM 207 CA GLU A 14 12.446 -3.730 7.408 1.00 0.28 C ATOM 208 C GLU A 14 12.258 -2.732 6.267 1.00 0.31 C ATOM 209 O GLU A 14 12.892 -2.867 5.241 1.00 0.61 O ATOM 210 CB GLU A 14 11.727 -5.040 7.061 1.00 0.33 C ATOM 211 CG GLU A 14 12.218 -5.690 5.769 1.00 0.45 C ATOM 212 CD GLU A 14 13.706 -5.983 5.776 1.00 0.86 C ATOM 213 OE1 GLU A 14 14.172 -6.697 6.688 1.00 1.33 O ATOM 214 OE2 GLU A 14 14.417 -5.502 4.871 1.00 1.19 O ATOM 0 H GLU A 14 10.992 -3.117 8.815 1.00 0.30 H new ATOM 0 HA GLU A 14 13.513 -3.925 7.518 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.858 -5.744 7.883 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.658 -4.845 6.975 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.672 -6.619 5.607 1.00 0.45 H new ATOM 0 HG3 GLU A 14 11.987 -5.034 4.929 1.00 0.45 H new ATOM 221 N THR A 15 11.424 -1.719 6.441 1.00 0.20 N ATOM 222 CA THR A 15 11.113 -0.818 5.329 1.00 0.18 C ATOM 223 C THR A 15 12.276 0.113 5.053 1.00 0.21 C ATOM 224 O THR A 15 12.991 0.523 5.967 1.00 0.30 O ATOM 225 CB THR A 15 9.843 0.022 5.574 1.00 0.23 C ATOM 226 OG1 THR A 15 10.090 1.026 6.545 1.00 1.04 O ATOM 227 CG2 THR A 15 8.702 -0.854 6.041 1.00 0.90 C ATOM 0 H THR A 15 10.956 -1.498 7.320 1.00 0.20 H new ATOM 0 HA THR A 15 10.929 -1.457 4.465 1.00 0.18 H new ATOM 0 HB THR A 15 9.568 0.493 4.630 1.00 0.23 H new ATOM 0 HG1 THR A 15 9.333 1.648 6.573 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.817 -0.240 6.208 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.485 -1.605 5.281 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.981 -1.349 6.971 1.00 0.90 H new ATOM 235 N PRO A 16 12.485 0.458 3.780 1.00 0.21 N ATOM 236 CA PRO A 16 13.532 1.369 3.381 1.00 0.24 C ATOM 237 C PRO A 16 13.004 2.781 3.432 1.00 0.21 C ATOM 238 O PRO A 16 13.295 3.612 2.578 1.00 0.22 O ATOM 239 CB PRO A 16 13.850 0.929 1.954 1.00 0.28 C ATOM 240 CG PRO A 16 12.628 0.214 1.460 1.00 0.26 C ATOM 241 CD PRO A 16 11.675 0.052 2.627 1.00 0.19 C ATOM 0 HA PRO A 16 14.416 1.352 4.018 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.081 1.787 1.323 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.721 0.274 1.933 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.154 0.779 0.657 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.896 -0.759 1.049 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.791 0.680 2.515 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.326 -0.976 2.722 1.00 0.19 H new ATOM 249 N ARG A 17 12.197 3.016 4.461 1.00 0.21 N ATOM 250 CA ARG A 17 11.454 4.241 4.612 1.00 0.21 C ATOM 251 C ARG A 17 10.508 4.398 3.430 1.00 0.19 C ATOM 252 O ARG A 17 10.648 5.285 2.613 1.00 0.28 O ATOM 253 CB ARG A 17 12.403 5.435 4.743 1.00 0.26 C ATOM 254 CG ARG A 17 11.831 6.585 5.550 1.00 0.39 C ATOM 255 CD ARG A 17 12.892 7.615 5.852 1.00 0.37 C ATOM 256 NE ARG A 17 14.058 7.020 6.501 1.00 1.13 N ATOM 257 CZ ARG A 17 15.106 7.711 6.936 1.00 1.48 C ATOM 258 NH1 ARG A 17 15.105 9.036 6.889 1.00 1.46 N ATOM 259 NH2 ARG A 17 16.144 7.066 7.454 1.00 2.42 N ATOM 0 H ARG A 17 12.045 2.348 5.217 1.00 0.21 H new ATOM 0 HA ARG A 17 10.863 4.203 5.527 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.330 5.101 5.210 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.659 5.795 3.747 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.014 7.050 4.998 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.411 6.206 6.482 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.200 8.101 4.926 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.474 8.389 6.495 1.00 0.37 H new ATOM 0 HE ARG A 17 14.068 6.008 6.628 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.295 9.532 6.517 1.00 1.46 H new ATOM 0 HH12 ARG A 17 15.914 9.559 7.225 1.00 1.46 H new ATOM 0 HH21 ARG A 17 16.133 6.048 7.516 1.00 2.42 H new ATOM 0 HH22 ARG A 17 16.953 7.588 7.790 1.00 2.42 H new ATOM 273 N LEU A 18 9.554 3.503 3.311 1.00 0.16 N ATOM 274 CA LEU A 18 8.645 3.545 2.180 1.00 0.14 C ATOM 275 C LEU A 18 7.206 3.837 2.590 1.00 0.13 C ATOM 276 O LEU A 18 6.595 3.087 3.357 1.00 0.15 O ATOM 277 CB LEU A 18 8.696 2.241 1.414 1.00 0.19 C ATOM 278 CG LEU A 18 9.660 2.189 0.232 1.00 0.23 C ATOM 279 CD1 LEU A 18 11.002 2.771 0.598 1.00 0.25 C ATOM 280 CD2 LEU A 18 9.807 0.758 -0.264 1.00 0.27 C ATOM 0 H LEU A 18 9.385 2.745 3.972 1.00 0.16 H new ATOM 0 HA LEU A 18 8.978 4.365 1.544 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.964 1.446 2.110 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.693 2.020 1.048 1.00 0.19 H new ATOM 0 HG LEU A 18 9.246 2.796 -0.574 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.668 2.720 -0.264 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.878 3.811 0.900 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.432 2.203 1.423 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.497 0.734 -1.107 1.00 0.27 H new ATOM 0 HD22 LEU A 18 10.195 0.132 0.540 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.834 0.381 -0.580 1.00 0.27 H new ATOM 292 N SER A 19 6.670 4.916 2.030 1.00 0.16 N ATOM 293 CA SER A 19 5.319 5.358 2.316 1.00 0.16 C ATOM 294 C SER A 19 4.491 5.448 1.036 1.00 0.14 C ATOM 295 O SER A 19 4.908 6.051 0.048 1.00 0.18 O ATOM 296 CB SER A 19 5.374 6.708 3.004 1.00 0.23 C ATOM 297 OG SER A 19 4.087 7.266 3.183 1.00 0.67 O ATOM 0 H SER A 19 7.166 5.508 1.363 1.00 0.16 H new ATOM 0 HA SER A 19 4.839 4.632 2.972 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.860 6.601 3.974 1.00 0.23 H new ATOM 0 HB3 SER A 19 5.986 7.390 2.414 1.00 0.23 H new ATOM 0 HG SER A 19 3.528 6.642 3.692 1.00 0.67 H new ATOM 303 N VAL A 20 3.313 4.865 1.093 1.00 0.14 N ATOM 304 CA VAL A 20 2.435 4.698 -0.051 1.00 0.14 C ATOM 305 C VAL A 20 1.302 5.710 -0.021 1.00 0.13 C ATOM 306 O VAL A 20 0.940 6.235 1.037 1.00 0.14 O ATOM 307 CB VAL A 20 1.813 3.284 -0.064 1.00 0.19 C ATOM 308 CG1 VAL A 20 0.877 3.116 1.101 1.00 0.89 C ATOM 309 CG2 VAL A 20 1.067 3.002 -1.351 1.00 0.85 C ATOM 0 H VAL A 20 2.927 4.484 1.957 1.00 0.14 H new ATOM 0 HA VAL A 20 3.042 4.848 -0.944 1.00 0.14 H new ATOM 0 HB VAL A 20 2.635 2.572 0.013 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.446 2.115 1.080 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.426 3.255 2.032 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.080 3.856 1.037 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.647 1.997 -1.315 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.263 3.728 -1.472 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.754 3.078 -2.194 1.00 0.85 H new ATOM 319 N ILE A 21 0.756 5.977 -1.191 1.00 0.16 N ATOM 320 CA ILE A 21 -0.402 6.832 -1.312 1.00 0.18 C ATOM 321 C ILE A 21 -1.644 5.965 -1.309 1.00 0.16 C ATOM 322 O ILE A 21 -1.862 5.182 -2.233 1.00 0.20 O ATOM 323 CB ILE A 21 -0.350 7.609 -2.641 1.00 0.28 C ATOM 324 CG1 ILE A 21 1.106 7.913 -3.004 1.00 0.23 C ATOM 325 CG2 ILE A 21 -1.168 8.889 -2.540 1.00 0.50 C ATOM 326 CD1 ILE A 21 1.277 8.555 -4.363 1.00 0.73 C ATOM 0 H ILE A 21 1.102 5.609 -2.077 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.419 7.537 -0.481 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.784 6.998 -3.432 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.529 8.572 -2.246 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.678 6.986 -2.976 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.121 9.426 -3.487 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.205 8.641 -2.314 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.764 9.517 -1.746 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.335 8.740 -4.548 1.00 0.73 H new ATOM 0 HD12 ILE A 21 0.885 7.889 -5.132 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.734 9.500 -4.390 1.00 0.73 H new ATOM 338 N VAL A 22 -2.451 6.102 -0.267 1.00 0.14 N ATOM 339 CA VAL A 22 -3.708 5.385 -0.194 1.00 0.13 C ATOM 340 C VAL A 22 -4.834 6.346 -0.428 1.00 0.13 C ATOM 341 O VAL A 22 -5.054 7.266 0.360 1.00 0.20 O ATOM 342 CB VAL A 22 -3.948 4.701 1.158 1.00 0.15 C ATOM 343 CG1 VAL A 22 -5.118 3.740 1.049 1.00 0.16 C ATOM 344 CG2 VAL A 22 -2.698 3.991 1.638 1.00 0.20 C ATOM 0 H VAL A 22 -2.256 6.701 0.535 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.663 4.606 -0.955 1.00 0.13 H new ATOM 0 HB VAL A 22 -4.193 5.463 1.898 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.283 3.257 2.012 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -6.014 4.289 0.760 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.898 2.983 0.297 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.896 3.515 2.598 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.408 3.233 0.910 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.890 4.714 1.751 1.00 0.20 H new ATOM 354 N THR A 23 -5.546 6.131 -1.499 1.00 0.15 N ATOM 355 CA THR A 23 -6.560 7.055 -1.904 1.00 0.18 C ATOM 356 C THR A 23 -7.902 6.362 -2.139 1.00 0.15 C ATOM 357 O THR A 23 -7.980 5.259 -2.678 1.00 0.16 O ATOM 358 CB THR A 23 -6.081 7.834 -3.151 1.00 0.33 C ATOM 359 OG1 THR A 23 -5.167 8.862 -2.747 1.00 1.21 O ATOM 360 CG2 THR A 23 -7.235 8.451 -3.929 1.00 0.87 C ATOM 0 H THR A 23 -5.440 5.319 -2.107 1.00 0.15 H new ATOM 0 HA THR A 23 -6.728 7.766 -1.095 1.00 0.18 H new ATOM 0 HB THR A 23 -5.587 7.124 -3.814 1.00 0.33 H new ATOM 0 HG1 THR A 23 -4.861 9.356 -3.536 1.00 1.21 H new ATOM 0 HG21 THR A 23 -6.845 8.987 -4.795 1.00 0.87 H new ATOM 0 HG22 THR A 23 -7.910 7.664 -4.263 1.00 0.87 H new ATOM 0 HG23 THR A 23 -7.777 9.145 -3.287 1.00 0.87 H new ATOM 368 N HIS A 24 -8.948 6.997 -1.647 1.00 0.20 N ATOM 369 CA HIS A 24 -10.308 6.605 -1.956 1.00 0.24 C ATOM 370 C HIS A 24 -11.049 7.839 -2.415 1.00 0.34 C ATOM 371 O HIS A 24 -11.314 8.731 -1.613 1.00 0.38 O ATOM 372 CB HIS A 24 -10.995 6.007 -0.728 1.00 0.31 C ATOM 373 CG HIS A 24 -12.473 5.825 -0.892 1.00 0.47 C ATOM 374 ND1 HIS A 24 -13.025 4.975 -1.823 1.00 1.20 N ATOM 375 CD2 HIS A 24 -13.511 6.416 -0.259 1.00 1.13 C ATOM 376 CE1 HIS A 24 -14.343 5.055 -1.754 1.00 1.08 C ATOM 377 NE2 HIS A 24 -14.662 5.920 -0.814 1.00 0.96 N ATOM 0 H HIS A 24 -8.878 7.800 -1.021 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.307 5.843 -2.736 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.542 5.041 -0.504 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.811 6.653 0.131 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -12.501 4.379 -2.464 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.446 7.144 0.536 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.041 4.503 -2.366 1.00 1.08 H new ATOM 386 N SER A 25 -11.367 7.877 -3.700 1.00 0.41 N ATOM 387 CA SER A 25 -12.028 9.031 -4.330 1.00 0.55 C ATOM 388 C SER A 25 -11.093 10.253 -4.392 1.00 0.60 C ATOM 389 O SER A 25 -11.006 10.927 -5.419 1.00 0.99 O ATOM 390 CB SER A 25 -13.329 9.383 -3.587 1.00 0.63 C ATOM 391 OG SER A 25 -13.955 10.528 -4.140 1.00 1.17 O ATOM 0 H SER A 25 -11.177 7.110 -4.345 1.00 0.41 H new ATOM 0 HA SER A 25 -12.276 8.751 -5.354 1.00 0.55 H new ATOM 0 HB2 SER A 25 -14.014 8.536 -3.632 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.110 9.561 -2.534 1.00 0.63 H new ATOM 0 HG SER A 25 -14.778 10.722 -3.645 1.00 1.17 H new ATOM 397 N ASN A 26 -10.372 10.492 -3.304 1.00 0.44 N ATOM 398 CA ASN A 26 -9.533 11.676 -3.138 1.00 0.50 C ATOM 399 C ASN A 26 -8.845 11.608 -1.781 1.00 0.43 C ATOM 400 O ASN A 26 -7.707 12.057 -1.625 1.00 0.47 O ATOM 401 CB ASN A 26 -10.366 12.960 -3.231 1.00 0.65 C ATOM 402 CG ASN A 26 -9.531 14.218 -3.076 1.00 1.42 C ATOM 403 OD1 ASN A 26 -9.368 14.737 -1.971 1.00 2.19 O ATOM 404 ND2 ASN A 26 -8.996 14.716 -4.179 1.00 2.02 N ATOM 0 H ASN A 26 -10.352 9.863 -2.501 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.791 11.696 -3.936 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.878 12.986 -4.193 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -11.136 12.944 -2.460 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -8.425 15.560 -4.133 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -9.155 14.256 -5.075 1.00 2.02 H new ATOM 411 N GLU A 27 -9.560 11.038 -0.802 1.00 0.41 N ATOM 412 CA GLU A 27 -9.023 10.815 0.538 1.00 0.42 C ATOM 413 C GLU A 27 -7.668 10.137 0.452 1.00 0.37 C ATOM 414 O GLU A 27 -7.502 9.163 -0.277 1.00 0.49 O ATOM 415 CB GLU A 27 -9.976 9.950 1.364 1.00 0.50 C ATOM 416 CG GLU A 27 -9.472 9.676 2.772 1.00 0.58 C ATOM 417 CD GLU A 27 -10.347 8.713 3.538 1.00 1.21 C ATOM 418 OE1 GLU A 27 -11.449 9.123 3.948 1.00 1.75 O ATOM 419 OE2 GLU A 27 -9.943 7.551 3.732 1.00 1.58 O ATOM 0 H GLU A 27 -10.522 10.721 -0.920 1.00 0.41 H new ATOM 0 HA GLU A 27 -8.913 11.783 1.027 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -10.946 10.444 1.422 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.132 9.001 0.850 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -8.460 9.274 2.717 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -9.412 10.617 3.319 1.00 0.58 H new ATOM 426 N ARG A 28 -6.715 10.641 1.208 1.00 0.33 N ATOM 427 CA ARG A 28 -5.342 10.202 1.079 1.00 0.33 C ATOM 428 C ARG A 28 -4.717 10.021 2.454 1.00 0.30 C ATOM 429 O ARG A 28 -4.717 10.934 3.275 1.00 0.36 O ATOM 430 CB ARG A 28 -4.567 11.241 0.252 1.00 0.48 C ATOM 431 CG ARG A 28 -3.242 10.756 -0.337 1.00 0.72 C ATOM 432 CD ARG A 28 -2.171 10.523 0.722 1.00 0.76 C ATOM 433 NE ARG A 28 -2.014 11.672 1.616 1.00 1.75 N ATOM 434 CZ ARG A 28 -0.959 11.869 2.406 1.00 2.38 C ATOM 435 NH1 ARG A 28 0.090 11.061 2.339 1.00 2.45 N ATOM 436 NH2 ARG A 28 -0.950 12.886 3.257 1.00 3.31 N ATOM 0 H ARG A 28 -6.867 11.356 1.919 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.304 9.239 0.569 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.205 11.580 -0.564 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.369 12.108 0.883 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.412 9.829 -0.885 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -2.880 11.490 -1.057 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.429 9.642 1.309 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.220 10.313 0.233 1.00 0.76 H new ATOM 0 HE ARG A 28 -2.761 12.367 1.635 1.00 1.75 H new ATOM 0 HH11 ARG A 28 0.093 10.283 1.680 1.00 2.45 H new ATOM 0 HH12 ARG A 28 0.894 11.218 2.947 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -1.750 13.517 3.307 1.00 3.31 H new ATOM 0 HH22 ARG A 28 -0.143 13.038 3.862 1.00 3.31 H new ATOM 450 N TYR A 29 -4.201 8.831 2.691 1.00 0.28 N ATOM 451 CA TYR A 29 -3.428 8.543 3.887 1.00 0.27 C ATOM 452 C TYR A 29 -2.083 7.963 3.494 1.00 0.25 C ATOM 453 O TYR A 29 -2.007 7.141 2.580 1.00 0.27 O ATOM 454 CB TYR A 29 -4.170 7.576 4.810 1.00 0.34 C ATOM 455 CG TYR A 29 -5.319 8.209 5.562 1.00 0.93 C ATOM 456 CD1 TYR A 29 -5.107 8.891 6.750 1.00 1.30 C ATOM 457 CD2 TYR A 29 -6.616 8.126 5.075 1.00 1.65 C ATOM 458 CE1 TYR A 29 -6.157 9.473 7.434 1.00 1.95 C ATOM 459 CE2 TYR A 29 -7.671 8.705 5.752 1.00 2.31 C ATOM 460 CZ TYR A 29 -7.425 9.367 6.957 1.00 2.36 C ATOM 461 OH TYR A 29 -8.485 9.954 7.610 1.00 3.09 O ATOM 0 H TYR A 29 -4.305 8.035 2.061 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.279 9.475 4.433 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.550 6.743 4.218 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.463 7.160 5.528 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -4.106 8.969 7.147 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -6.803 7.600 4.151 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -5.970 10.014 8.350 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -8.674 8.647 5.355 1.00 2.31 H new ATOM 0 HH TYR A 29 -9.313 9.771 7.119 1.00 3.09 H new ATOM 471 N ASP A 30 -1.022 8.418 4.142 1.00 0.27 N ATOM 472 CA ASP A 30 0.289 7.832 3.916 1.00 0.30 C ATOM 473 C ASP A 30 0.410 6.537 4.709 1.00 0.25 C ATOM 474 O ASP A 30 0.260 6.512 5.932 1.00 0.34 O ATOM 475 CB ASP A 30 1.423 8.807 4.275 1.00 0.50 C ATOM 476 CG ASP A 30 1.326 9.372 5.679 1.00 1.27 C ATOM 477 OD1 ASP A 30 0.537 10.319 5.885 1.00 1.99 O ATOM 478 OD2 ASP A 30 2.052 8.897 6.573 1.00 2.01 O ATOM 0 H ASP A 30 -1.041 9.180 4.819 1.00 0.27 H new ATOM 0 HA ASP A 30 0.388 7.613 2.853 1.00 0.30 H new ATOM 0 HB2 ASP A 30 2.378 8.294 4.166 1.00 0.50 H new ATOM 0 HB3 ASP A 30 1.420 9.631 3.561 1.00 0.50 H new ATOM 483 N LEU A 31 0.652 5.462 3.987 1.00 0.18 N ATOM 484 CA LEU A 31 0.696 4.127 4.564 1.00 0.15 C ATOM 485 C LEU A 31 2.077 3.533 4.322 1.00 0.14 C ATOM 486 O LEU A 31 2.762 3.930 3.395 1.00 0.18 O ATOM 487 CB LEU A 31 -0.403 3.262 3.937 1.00 0.15 C ATOM 488 CG LEU A 31 -1.288 2.484 4.905 1.00 0.14 C ATOM 489 CD1 LEU A 31 -0.503 1.343 5.535 1.00 0.17 C ATOM 490 CD2 LEU A 31 -1.821 3.413 5.979 1.00 0.16 C ATOM 0 H LEU A 31 0.824 5.486 2.982 1.00 0.18 H new ATOM 0 HA LEU A 31 0.518 4.168 5.639 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.042 3.906 3.332 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.067 2.551 3.258 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.129 2.063 4.355 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.146 0.796 6.224 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.151 0.669 4.754 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.351 1.746 6.079 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.452 2.850 6.667 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -0.987 3.851 6.528 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.407 4.207 5.516 1.00 0.16 H new ATOM 502 N LEU A 32 2.510 2.621 5.161 1.00 0.15 N ATOM 503 CA LEU A 32 3.874 2.130 5.080 1.00 0.16 C ATOM 504 C LEU A 32 3.918 0.698 4.544 1.00 0.14 C ATOM 505 O LEU A 32 3.089 -0.133 4.914 1.00 0.14 O ATOM 506 CB LEU A 32 4.529 2.269 6.462 1.00 0.19 C ATOM 507 CG LEU A 32 5.675 1.306 6.780 1.00 0.22 C ATOM 508 CD1 LEU A 32 6.752 2.020 7.575 1.00 0.52 C ATOM 509 CD2 LEU A 32 5.158 0.113 7.571 1.00 0.73 C ATOM 0 H LEU A 32 1.947 2.205 5.903 1.00 0.15 H new ATOM 0 HA LEU A 32 4.444 2.727 4.368 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.904 3.288 6.560 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.756 2.140 7.219 1.00 0.19 H new ATOM 0 HG LEU A 32 6.100 0.951 5.841 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.562 1.325 7.796 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.139 2.856 6.993 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.329 2.392 8.508 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.984 -0.564 7.790 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.715 0.460 8.505 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.404 -0.413 6.985 1.00 0.73 H new ATOM 521 N VAL A 33 4.913 0.424 3.690 1.00 0.14 N ATOM 522 CA VAL A 33 5.070 -0.880 3.046 1.00 0.14 C ATOM 523 C VAL A 33 5.358 -1.925 4.102 1.00 0.14 C ATOM 524 O VAL A 33 5.979 -1.625 5.115 1.00 0.15 O ATOM 525 CB VAL A 33 6.242 -0.860 2.021 1.00 0.17 C ATOM 526 CG1 VAL A 33 5.936 0.072 0.878 1.00 0.98 C ATOM 527 CG2 VAL A 33 7.542 -0.465 2.701 1.00 1.15 C ATOM 0 H VAL A 33 5.629 1.101 3.429 1.00 0.14 H new ATOM 0 HA VAL A 33 4.147 -1.116 2.516 1.00 0.14 H new ATOM 0 HB VAL A 33 6.358 -1.866 1.618 1.00 0.17 H new ATOM 0 HG11 VAL A 33 6.768 0.070 0.174 1.00 0.98 H new ATOM 0 HG12 VAL A 33 5.031 -0.260 0.370 1.00 0.98 H new ATOM 0 HG13 VAL A 33 5.787 1.081 1.261 1.00 0.98 H new ATOM 0 HG21 VAL A 33 8.348 -0.457 1.968 1.00 1.15 H new ATOM 0 HG22 VAL A 33 7.438 0.529 3.136 1.00 1.15 H new ATOM 0 HG23 VAL A 33 7.774 -1.183 3.488 1.00 1.15 H new ATOM 537 N THR A 34 4.921 -3.148 3.875 1.00 0.14 N ATOM 538 CA THR A 34 4.914 -4.130 4.937 1.00 0.17 C ATOM 539 C THR A 34 6.289 -4.745 5.113 1.00 0.17 C ATOM 540 O THR A 34 6.781 -5.497 4.263 1.00 0.18 O ATOM 541 CB THR A 34 3.870 -5.224 4.666 1.00 0.19 C ATOM 542 OG1 THR A 34 2.606 -4.619 4.358 1.00 0.21 O ATOM 543 CG2 THR A 34 3.711 -6.142 5.870 1.00 0.23 C ATOM 0 H THR A 34 4.571 -3.481 2.977 1.00 0.14 H new ATOM 0 HA THR A 34 4.644 -3.620 5.861 1.00 0.17 H new ATOM 0 HB THR A 34 4.214 -5.820 3.821 1.00 0.19 H new ATOM 0 HG1 THR A 34 1.888 -5.272 4.497 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.966 -6.906 5.649 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.665 -6.619 6.092 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.388 -5.559 6.732 1.00 0.23 H new ATOM 551 N PRO A 35 6.928 -4.403 6.245 1.00 0.18 N ATOM 552 CA PRO A 35 8.291 -4.802 6.532 1.00 0.20 C ATOM 553 C PRO A 35 8.367 -6.248 6.974 1.00 0.23 C ATOM 554 O PRO A 35 7.635 -6.659 7.866 1.00 0.35 O ATOM 555 CB PRO A 35 8.693 -3.870 7.675 1.00 0.27 C ATOM 556 CG PRO A 35 7.420 -3.587 8.394 1.00 0.32 C ATOM 557 CD PRO A 35 6.336 -3.616 7.351 1.00 0.22 C ATOM 0 HA PRO A 35 8.941 -4.729 5.660 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.423 -4.341 8.333 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.148 -2.954 7.298 1.00 0.27 H new ATOM 0 HG2 PRO A 35 7.236 -4.332 9.168 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.459 -2.616 8.888 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.427 -4.083 7.732 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.066 -2.611 7.027 1.00 0.22 H new ATOM 565 N GLN A 36 9.284 -6.969 6.337 1.00 0.26 N ATOM 566 CA GLN A 36 9.532 -8.409 6.551 1.00 0.29 C ATOM 567 C GLN A 36 10.126 -8.988 5.282 1.00 0.30 C ATOM 568 O GLN A 36 11.043 -9.806 5.314 1.00 0.73 O ATOM 569 CB GLN A 36 8.257 -9.201 6.890 1.00 0.42 C ATOM 570 CG GLN A 36 8.009 -9.386 8.382 1.00 0.59 C ATOM 571 CD GLN A 36 8.922 -10.413 9.019 1.00 0.98 C ATOM 572 OE1 GLN A 36 10.059 -10.614 8.589 1.00 1.69 O ATOM 573 NE2 GLN A 36 8.426 -11.076 10.051 1.00 1.72 N ATOM 0 H GLN A 36 9.900 -6.563 5.633 1.00 0.26 H new ATOM 0 HA GLN A 36 10.208 -8.497 7.402 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.399 -8.690 6.452 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.318 -10.182 6.420 1.00 0.42 H new ATOM 0 HG2 GLN A 36 8.142 -8.429 8.887 1.00 0.59 H new ATOM 0 HG3 GLN A 36 6.973 -9.686 8.536 1.00 0.59 H new ATOM 0 HE21 GLN A 36 7.479 -10.879 10.376 1.00 1.72 H new ATOM 0 HE22 GLN A 36 8.990 -11.784 10.521 1.00 1.72 H new ATOM 582 N GLN A 37 9.586 -8.524 4.163 1.00 0.33 N ATOM 583 CA GLN A 37 9.958 -9.017 2.845 1.00 0.26 C ATOM 584 C GLN A 37 11.418 -8.747 2.502 1.00 0.30 C ATOM 585 O GLN A 37 12.303 -9.557 2.771 1.00 0.74 O ATOM 586 CB GLN A 37 9.080 -8.357 1.790 1.00 0.23 C ATOM 587 CG GLN A 37 8.105 -9.307 1.117 1.00 0.26 C ATOM 588 CD GLN A 37 8.810 -10.472 0.450 1.00 0.44 C ATOM 589 OE1 GLN A 37 9.011 -11.521 1.058 1.00 1.02 O ATOM 590 NE2 GLN A 37 9.194 -10.290 -0.804 1.00 1.42 N ATOM 0 H GLN A 37 8.875 -7.793 4.145 1.00 0.33 H new ATOM 0 HA GLN A 37 9.815 -10.097 2.859 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.519 -7.546 2.254 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.719 -7.909 1.029 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.400 -9.686 1.857 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.524 -8.762 0.373 1.00 0.26 H new ATOM 0 HE21 GLN A 37 9.007 -9.403 -1.271 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.677 -11.037 -1.303 1.00 1.42 H new ATOM 599 N GLY A 38 11.648 -7.596 1.897 1.00 0.43 N ATOM 600 CA GLY A 38 12.971 -7.216 1.469 1.00 0.34 C ATOM 601 C GLY A 38 13.037 -5.734 1.278 1.00 0.38 C ATOM 602 O GLY A 38 13.756 -5.259 0.407 1.00 0.83 O ATOM 0 H GLY A 38 10.925 -6.906 1.692 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.707 -7.529 2.210 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.221 -7.723 0.537 1.00 0.34 H new ATOM 606 N ASN A 39 12.246 -5.034 2.102 1.00 0.27 N ATOM 607 CA ASN A 39 12.034 -3.572 2.059 1.00 0.22 C ATOM 608 C ASN A 39 11.524 -3.055 0.712 1.00 0.21 C ATOM 609 O ASN A 39 10.564 -2.292 0.664 1.00 0.27 O ATOM 610 CB ASN A 39 13.263 -2.763 2.517 1.00 0.29 C ATOM 611 CG ASN A 39 14.525 -2.938 1.687 1.00 0.40 C ATOM 612 OD1 ASN A 39 14.683 -2.322 0.628 1.00 1.06 O ATOM 613 ND2 ASN A 39 15.449 -3.746 2.184 1.00 1.11 N ATOM 0 H ASN A 39 11.714 -5.483 2.847 1.00 0.27 H new ATOM 0 HA ASN A 39 11.238 -3.406 2.785 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.997 -1.706 2.519 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.489 -3.036 3.548 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.331 -3.878 1.689 1.00 1.11 H new ATOM 0 HD22 ASN A 39 15.279 -4.236 3.062 1.00 1.11 H new ATOM 620 N SER A 40 12.144 -3.485 -0.360 1.00 0.24 N ATOM 621 CA SER A 40 11.843 -2.992 -1.684 1.00 0.32 C ATOM 622 C SER A 40 10.647 -3.722 -2.267 1.00 0.32 C ATOM 623 O SER A 40 9.870 -3.158 -3.018 1.00 0.50 O ATOM 624 CB SER A 40 13.064 -3.196 -2.575 1.00 0.40 C ATOM 625 OG SER A 40 14.172 -2.450 -2.092 1.00 1.42 O ATOM 0 H SER A 40 12.878 -4.193 -0.339 1.00 0.24 H new ATOM 0 HA SER A 40 11.598 -1.931 -1.627 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.321 -4.255 -2.611 1.00 0.40 H new ATOM 0 HB3 SER A 40 12.831 -2.890 -3.595 1.00 0.40 H new ATOM 0 HG SER A 40 14.224 -2.535 -1.117 1.00 1.42 H new ATOM 631 N GLU A 41 10.489 -4.972 -1.885 1.00 0.24 N ATOM 632 CA GLU A 41 9.478 -5.820 -2.467 1.00 0.31 C ATOM 633 C GLU A 41 8.505 -6.226 -1.386 1.00 0.26 C ATOM 634 O GLU A 41 8.672 -7.277 -0.795 1.00 0.30 O ATOM 635 CB GLU A 41 10.137 -7.068 -3.053 1.00 0.45 C ATOM 636 CG GLU A 41 11.327 -6.769 -3.947 1.00 1.12 C ATOM 637 CD GLU A 41 12.219 -7.975 -4.133 1.00 1.32 C ATOM 638 OE1 GLU A 41 11.906 -8.825 -4.991 1.00 1.66 O ATOM 639 OE2 GLU A 41 13.237 -8.080 -3.418 1.00 1.83 O ATOM 0 H GLU A 41 11.055 -5.424 -1.167 1.00 0.24 H new ATOM 0 HA GLU A 41 8.953 -5.285 -3.258 1.00 0.31 H new ATOM 0 HB2 GLU A 41 10.461 -7.714 -2.237 1.00 0.45 H new ATOM 0 HB3 GLU A 41 9.395 -7.625 -3.625 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.972 -6.428 -4.920 1.00 1.12 H new ATOM 0 HG3 GLU A 41 11.907 -5.953 -3.516 1.00 1.12 H new ATOM 646 N PRO A 42 7.495 -5.398 -1.101 1.00 0.22 N ATOM 647 CA PRO A 42 6.547 -5.642 -0.009 1.00 0.21 C ATOM 648 C PRO A 42 5.791 -6.964 -0.167 1.00 0.20 C ATOM 649 O PRO A 42 5.803 -7.579 -1.230 1.00 0.20 O ATOM 650 CB PRO A 42 5.581 -4.458 -0.093 1.00 0.23 C ATOM 651 CG PRO A 42 6.333 -3.405 -0.822 1.00 0.26 C ATOM 652 CD PRO A 42 7.198 -4.139 -1.804 1.00 0.24 C ATOM 0 HA PRO A 42 7.056 -5.723 0.951 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.668 -4.730 -0.622 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.285 -4.118 0.899 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.655 -2.720 -1.331 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.936 -2.808 -0.138 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.680 -4.315 -2.747 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.106 -3.583 -2.038 1.00 0.24 H new ATOM 660 N VAL A 43 5.162 -7.416 0.908 1.00 0.21 N ATOM 661 CA VAL A 43 4.520 -8.721 0.917 1.00 0.22 C ATOM 662 C VAL A 43 3.196 -8.679 0.164 1.00 0.19 C ATOM 663 O VAL A 43 2.630 -7.610 -0.029 1.00 0.17 O ATOM 664 CB VAL A 43 4.254 -9.229 2.354 1.00 0.26 C ATOM 665 CG1 VAL A 43 5.545 -9.341 3.150 1.00 0.32 C ATOM 666 CG2 VAL A 43 3.271 -8.322 3.071 1.00 0.24 C ATOM 0 H VAL A 43 5.083 -6.899 1.784 1.00 0.21 H new ATOM 0 HA VAL A 43 5.209 -9.407 0.424 1.00 0.22 H new ATOM 0 HB VAL A 43 3.818 -10.225 2.276 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.323 -9.700 4.155 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.218 -10.041 2.655 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.020 -8.362 3.212 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.098 -8.698 4.080 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.680 -7.313 3.125 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.328 -8.303 2.524 1.00 0.24 H new ATOM 676 N VAL A 44 2.698 -9.845 -0.226 1.00 0.22 N ATOM 677 CA VAL A 44 1.411 -9.960 -0.918 1.00 0.22 C ATOM 678 C VAL A 44 0.305 -9.258 -0.141 1.00 0.20 C ATOM 679 O VAL A 44 -0.652 -8.742 -0.713 1.00 0.25 O ATOM 680 CB VAL A 44 1.029 -11.436 -1.134 1.00 0.27 C ATOM 681 CG1 VAL A 44 1.656 -11.970 -2.409 1.00 0.36 C ATOM 682 CG2 VAL A 44 1.459 -12.280 0.058 1.00 0.36 C ATOM 0 H VAL A 44 3.169 -10.737 -0.075 1.00 0.22 H new ATOM 0 HA VAL A 44 1.522 -9.477 -1.889 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.055 -11.496 -1.230 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.374 -13.014 -2.543 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.304 -11.387 -3.260 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.741 -11.893 -2.341 1.00 0.36 H new ATOM 0 HG21 VAL A 44 1.181 -13.320 -0.113 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.540 -12.210 0.183 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.965 -11.916 0.959 1.00 0.36 H new ATOM 692 N GLN A 45 0.462 -9.258 1.170 1.00 0.19 N ATOM 693 CA GLN A 45 -0.483 -8.635 2.083 1.00 0.19 C ATOM 694 C GLN A 45 -0.515 -7.120 1.883 1.00 0.16 C ATOM 695 O GLN A 45 -1.561 -6.502 2.010 1.00 0.19 O ATOM 696 CB GLN A 45 -0.114 -8.948 3.536 1.00 0.25 C ATOM 697 CG GLN A 45 -0.048 -10.431 3.858 1.00 0.62 C ATOM 698 CD GLN A 45 0.410 -10.700 5.283 1.00 0.89 C ATOM 699 OE1 GLN A 45 1.035 -11.723 5.565 1.00 1.66 O ATOM 700 NE2 GLN A 45 0.101 -9.786 6.191 1.00 1.44 N ATOM 0 H GLN A 45 1.257 -9.695 1.637 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.471 -9.042 1.867 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.853 -8.496 3.759 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.845 -8.477 4.194 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.031 -10.876 3.706 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.634 -10.920 3.163 1.00 0.62 H new ATOM 0 HE21 GLN A 45 -0.418 -8.951 5.918 1.00 1.44 H new ATOM 0 HE22 GLN A 45 0.382 -9.917 7.163 1.00 1.44 H new ATOM 709 N ASP A 46 0.641 -6.552 1.537 1.00 0.15 N ATOM 710 CA ASP A 46 0.888 -5.110 1.623 1.00 0.14 C ATOM 711 C ASP A 46 -0.104 -4.295 0.812 1.00 0.14 C ATOM 712 O ASP A 46 -0.574 -3.255 1.266 1.00 0.15 O ATOM 713 CB ASP A 46 2.302 -4.821 1.129 1.00 0.17 C ATOM 714 CG ASP A 46 2.567 -3.351 0.917 1.00 0.14 C ATOM 715 OD1 ASP A 46 2.330 -2.861 -0.211 1.00 0.17 O ATOM 716 OD2 ASP A 46 3.030 -2.697 1.868 1.00 0.16 O ATOM 0 H ASP A 46 1.439 -7.082 1.187 1.00 0.15 H new ATOM 0 HA ASP A 46 0.768 -4.817 2.666 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.019 -5.213 1.850 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.469 -5.353 0.192 1.00 0.17 H new ATOM 721 N LEU A 47 -0.434 -4.773 -0.369 1.00 0.18 N ATOM 722 CA LEU A 47 -1.332 -4.048 -1.247 1.00 0.22 C ATOM 723 C LEU A 47 -2.699 -3.858 -0.576 1.00 0.19 C ATOM 724 O LEU A 47 -3.259 -2.756 -0.576 1.00 0.22 O ATOM 725 CB LEU A 47 -1.411 -4.774 -2.608 1.00 0.28 C ATOM 726 CG LEU A 47 -1.480 -6.312 -2.548 1.00 0.62 C ATOM 727 CD1 LEU A 47 -2.879 -6.804 -2.226 1.00 1.07 C ATOM 728 CD2 LEU A 47 -1.003 -6.919 -3.854 1.00 1.01 C ATOM 0 H LEU A 47 -0.095 -5.659 -0.744 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.950 -3.045 -1.438 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -2.290 -4.411 -3.141 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.540 -4.492 -3.200 1.00 0.28 H new ATOM 0 HG LEU A 47 -0.820 -6.633 -1.742 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -2.883 -7.894 -2.193 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.189 -6.411 -1.258 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.571 -6.462 -2.995 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.059 -8.006 -3.792 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.635 -6.569 -4.670 1.00 1.01 H new ATOM 0 HD23 LEU A 47 0.028 -6.619 -4.039 1.00 1.01 H new ATOM 740 N ALA A 48 -3.199 -4.921 0.041 1.00 0.18 N ATOM 741 CA ALA A 48 -4.434 -4.863 0.808 1.00 0.17 C ATOM 742 C ALA A 48 -4.227 -4.057 2.075 1.00 0.14 C ATOM 743 O ALA A 48 -5.082 -3.281 2.488 1.00 0.16 O ATOM 744 CB ALA A 48 -4.904 -6.267 1.158 1.00 0.19 C ATOM 0 H ALA A 48 -2.762 -5.842 0.024 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.197 -4.377 0.200 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.829 -6.209 1.732 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.080 -6.831 0.242 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.140 -6.769 1.751 1.00 0.19 H new ATOM 750 N GLN A 49 -3.055 -4.247 2.656 1.00 0.13 N ATOM 751 CA GLN A 49 -2.709 -3.687 3.948 1.00 0.13 C ATOM 752 C GLN A 49 -2.730 -2.180 3.917 1.00 0.12 C ATOM 753 O GLN A 49 -3.306 -1.535 4.779 1.00 0.13 O ATOM 754 CB GLN A 49 -1.299 -4.141 4.326 1.00 0.15 C ATOM 755 CG GLN A 49 -0.746 -3.516 5.590 1.00 0.20 C ATOM 756 CD GLN A 49 -1.268 -4.164 6.859 1.00 0.33 C ATOM 757 OE1 GLN A 49 -2.396 -4.651 6.909 1.00 0.94 O ATOM 758 NE2 GLN A 49 -0.441 -4.187 7.893 1.00 1.35 N ATOM 0 H GLN A 49 -2.309 -4.802 2.237 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.443 -4.034 4.676 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.301 -5.225 4.445 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.626 -3.912 3.500 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.342 -3.586 5.576 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -0.997 -2.455 5.602 1.00 0.20 H new ATOM 0 HE21 GLN A 49 0.487 -3.772 7.813 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -0.732 -4.619 8.770 1.00 1.35 H new ATOM 767 N LEU A 50 -2.086 -1.640 2.912 1.00 0.12 N ATOM 768 CA LEU A 50 -1.936 -0.203 2.778 1.00 0.12 C ATOM 769 C LEU A 50 -3.300 0.492 2.674 1.00 0.12 C ATOM 770 O LEU A 50 -3.627 1.393 3.460 1.00 0.13 O ATOM 771 CB LEU A 50 -1.100 0.077 1.537 1.00 0.12 C ATOM 772 CG LEU A 50 0.354 -0.433 1.575 1.00 0.11 C ATOM 773 CD1 LEU A 50 1.037 -0.178 0.245 1.00 0.12 C ATOM 774 CD2 LEU A 50 1.120 0.241 2.692 1.00 0.13 C ATOM 0 H LEU A 50 -1.650 -2.178 2.163 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.439 0.193 3.664 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.599 -0.371 0.678 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -1.082 1.154 1.370 1.00 0.12 H new ATOM 0 HG LEU A 50 0.339 -1.507 1.761 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.063 -0.543 0.287 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.498 -0.699 -0.546 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.041 0.892 0.037 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.145 -0.130 2.706 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.126 1.319 2.530 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.642 0.020 3.646 1.00 0.13 H new ATOM 786 N VAL A 51 -4.111 0.018 1.743 1.00 0.11 N ATOM 787 CA VAL A 51 -5.459 0.538 1.532 1.00 0.10 C ATOM 788 C VAL A 51 -6.319 0.334 2.787 1.00 0.10 C ATOM 789 O VAL A 51 -7.123 1.201 3.142 1.00 0.10 O ATOM 790 CB VAL A 51 -6.053 -0.154 0.309 1.00 0.11 C ATOM 791 CG1 VAL A 51 -7.283 -0.975 0.633 1.00 0.21 C ATOM 792 CG2 VAL A 51 -6.344 0.878 -0.758 1.00 0.18 C ATOM 0 H VAL A 51 -3.856 -0.740 1.109 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.429 1.612 1.349 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.315 -0.865 -0.063 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.659 -1.442 -0.277 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.024 -1.748 1.357 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.053 -0.327 1.053 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.769 0.387 -1.633 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -7.054 1.610 -0.373 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.419 1.383 -1.038 1.00 0.18 H new ATOM 802 N GLU A 52 -6.099 -0.790 3.479 1.00 0.11 N ATOM 803 CA GLU A 52 -6.850 -1.114 4.689 1.00 0.12 C ATOM 804 C GLU A 52 -6.416 -0.240 5.868 1.00 0.13 C ATOM 805 O GLU A 52 -7.241 0.396 6.528 1.00 0.16 O ATOM 806 CB GLU A 52 -6.655 -2.591 5.064 1.00 0.17 C ATOM 807 CG GLU A 52 -7.266 -2.962 6.408 1.00 0.50 C ATOM 808 CD GLU A 52 -7.093 -4.423 6.766 1.00 0.53 C ATOM 809 OE1 GLU A 52 -7.849 -5.263 6.241 1.00 0.74 O ATOM 810 OE2 GLU A 52 -6.220 -4.738 7.600 1.00 0.74 O ATOM 0 H GLU A 52 -5.404 -1.490 3.218 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.902 -0.922 4.477 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.097 -3.216 4.288 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.588 -2.815 5.085 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.812 -2.349 7.186 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -8.329 -2.723 6.393 1.00 0.50 H new ATOM 817 N GLU A 53 -5.106 -0.177 6.082 1.00 0.13 N ATOM 818 CA GLU A 53 -4.525 0.475 7.252 1.00 0.15 C ATOM 819 C GLU A 53 -4.738 1.980 7.190 1.00 0.16 C ATOM 820 O GLU A 53 -4.716 2.661 8.211 1.00 0.19 O ATOM 821 CB GLU A 53 -3.036 0.133 7.343 1.00 0.19 C ATOM 822 CG GLU A 53 -2.308 0.746 8.534 1.00 0.24 C ATOM 823 CD GLU A 53 -2.791 0.241 9.879 1.00 0.84 C ATOM 824 OE1 GLU A 53 -3.825 0.742 10.368 1.00 1.32 O ATOM 825 OE2 GLU A 53 -2.167 -0.681 10.441 1.00 1.51 O ATOM 0 H GLU A 53 -4.415 -0.577 5.448 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.024 0.109 8.149 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.929 -0.951 7.389 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.546 0.463 6.427 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -1.242 0.538 8.441 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -2.426 1.829 8.500 1.00 0.24 H new ATOM 832 N ALA A 54 -4.952 2.499 5.988 1.00 0.16 N ATOM 833 CA ALA A 54 -5.130 3.932 5.813 1.00 0.18 C ATOM 834 C ALA A 54 -6.270 4.478 6.667 1.00 0.21 C ATOM 835 O ALA A 54 -6.092 5.473 7.369 1.00 0.30 O ATOM 836 CB ALA A 54 -5.381 4.246 4.355 1.00 0.24 C ATOM 0 H ALA A 54 -5.006 1.954 5.128 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.212 4.419 6.142 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.513 5.321 4.232 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.530 3.915 3.760 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.281 3.729 4.021 1.00 0.24 H new ATOM 842 N THR A 55 -7.437 3.852 6.609 1.00 0.25 N ATOM 843 CA THR A 55 -8.558 4.307 7.429 1.00 0.33 C ATOM 844 C THR A 55 -8.968 3.264 8.476 1.00 0.29 C ATOM 845 O THR A 55 -9.762 3.547 9.375 1.00 0.39 O ATOM 846 CB THR A 55 -9.760 4.684 6.546 1.00 0.51 C ATOM 847 OG1 THR A 55 -9.302 5.493 5.458 1.00 1.14 O ATOM 848 CG2 THR A 55 -10.804 5.460 7.333 1.00 1.66 C ATOM 0 H THR A 55 -7.634 3.045 6.017 1.00 0.25 H new ATOM 0 HA THR A 55 -8.223 5.194 7.967 1.00 0.33 H new ATOM 0 HB THR A 55 -10.219 3.766 6.180 1.00 0.51 H new ATOM 0 HG1 THR A 55 -9.930 6.232 5.313 1.00 1.14 H new ATOM 0 HG21 THR A 55 -11.640 5.711 6.680 1.00 1.66 H new ATOM 0 HG22 THR A 55 -11.162 4.850 8.162 1.00 1.66 H new ATOM 0 HG23 THR A 55 -10.360 6.376 7.722 1.00 1.66 H new ATOM 856 N GLY A 56 -8.412 2.065 8.377 1.00 0.25 N ATOM 857 CA GLY A 56 -8.812 0.994 9.273 1.00 0.26 C ATOM 858 C GLY A 56 -10.024 0.259 8.739 1.00 0.29 C ATOM 859 O GLY A 56 -10.717 -0.451 9.469 1.00 0.34 O ATOM 0 H GLY A 56 -7.695 1.813 7.697 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.986 0.295 9.400 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -9.037 1.404 10.258 1.00 0.26 H new ATOM 863 N VAL A 57 -10.260 0.429 7.448 1.00 0.30 N ATOM 864 CA VAL A 57 -11.409 -0.154 6.774 1.00 0.36 C ATOM 865 C VAL A 57 -11.120 -1.602 6.375 1.00 0.29 C ATOM 866 O VAL A 57 -10.019 -1.924 5.946 1.00 0.26 O ATOM 867 CB VAL A 57 -11.797 0.700 5.536 1.00 0.50 C ATOM 868 CG1 VAL A 57 -10.558 1.231 4.834 1.00 1.62 C ATOM 869 CG2 VAL A 57 -12.658 -0.088 4.562 1.00 1.33 C ATOM 0 H VAL A 57 -9.657 0.978 6.835 1.00 0.30 H new ATOM 0 HA VAL A 57 -12.254 -0.159 7.463 1.00 0.36 H new ATOM 0 HB VAL A 57 -12.384 1.546 5.895 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -10.856 1.826 3.970 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -9.987 1.853 5.524 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -9.941 0.396 4.504 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.910 0.541 3.708 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -12.109 -0.964 4.217 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -13.573 -0.407 5.061 1.00 1.33 H new ATOM 879 N PRO A 58 -12.100 -2.502 6.572 1.00 0.32 N ATOM 880 CA PRO A 58 -11.959 -3.934 6.254 1.00 0.34 C ATOM 881 C PRO A 58 -11.909 -4.222 4.753 1.00 0.31 C ATOM 882 O PRO A 58 -12.471 -3.492 3.934 1.00 0.27 O ATOM 883 CB PRO A 58 -13.229 -4.542 6.847 1.00 0.39 C ATOM 884 CG PRO A 58 -14.211 -3.432 6.777 1.00 0.39 C ATOM 885 CD PRO A 58 -13.431 -2.203 7.135 1.00 0.37 C ATOM 0 HA PRO A 58 -11.026 -4.336 6.648 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.563 -5.409 6.277 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -13.073 -4.876 7.873 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.643 -3.349 5.780 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -15.037 -3.591 7.470 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.865 -1.304 6.698 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -13.391 -2.046 8.213 1.00 0.37 H new ATOM 893 N LEU A 59 -11.248 -5.341 4.435 1.00 0.35 N ATOM 894 CA LEU A 59 -11.046 -5.827 3.063 1.00 0.36 C ATOM 895 C LEU A 59 -12.321 -5.845 2.206 1.00 0.36 C ATOM 896 O LEU A 59 -12.250 -5.493 1.034 1.00 0.37 O ATOM 897 CB LEU A 59 -10.434 -7.229 3.095 1.00 0.45 C ATOM 898 CG LEU A 59 -9.069 -7.324 3.784 1.00 1.21 C ATOM 899 CD1 LEU A 59 -8.550 -8.749 3.747 1.00 1.79 C ATOM 900 CD2 LEU A 59 -8.070 -6.378 3.135 1.00 2.08 C ATOM 0 H LEU A 59 -10.829 -5.948 5.139 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.370 -5.115 2.590 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -11.127 -7.900 3.602 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.333 -7.589 2.071 1.00 0.45 H new ATOM 0 HG LEU A 59 -9.194 -7.029 4.826 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -7.580 -8.796 4.241 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -9.252 -9.405 4.262 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -8.445 -9.071 2.711 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -7.108 -6.462 3.640 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -7.952 -6.639 2.083 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -8.434 -5.354 3.216 1.00 2.08 H new ATOM 912 N PRO A 60 -13.504 -6.266 2.729 1.00 0.38 N ATOM 913 CA PRO A 60 -14.725 -6.334 1.919 1.00 0.41 C ATOM 914 C PRO A 60 -15.236 -4.957 1.505 1.00 0.38 C ATOM 915 O PRO A 60 -15.965 -4.830 0.520 1.00 0.46 O ATOM 916 CB PRO A 60 -15.747 -7.025 2.829 1.00 0.47 C ATOM 917 CG PRO A 60 -14.940 -7.628 3.921 1.00 0.52 C ATOM 918 CD PRO A 60 -13.772 -6.713 4.104 1.00 0.42 C ATOM 0 HA PRO A 60 -14.544 -6.866 0.985 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.472 -6.312 3.221 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -16.309 -7.786 2.286 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.521 -7.711 4.839 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.613 -8.634 3.658 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -14.009 -5.878 4.764 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.915 -7.229 4.538 1.00 0.42 H new ATOM 926 N PHE A 61 -14.846 -3.928 2.251 1.00 0.33 N ATOM 927 CA PHE A 61 -15.344 -2.584 1.997 1.00 0.34 C ATOM 928 C PHE A 61 -14.449 -1.814 1.039 1.00 0.28 C ATOM 929 O PHE A 61 -14.888 -0.842 0.419 1.00 0.31 O ATOM 930 CB PHE A 61 -15.472 -1.802 3.298 1.00 0.37 C ATOM 931 CG PHE A 61 -16.826 -1.918 3.936 1.00 0.44 C ATOM 932 CD1 PHE A 61 -17.862 -1.085 3.545 1.00 0.66 C ATOM 933 CD2 PHE A 61 -17.064 -2.860 4.921 1.00 0.45 C ATOM 934 CE1 PHE A 61 -19.110 -1.189 4.126 1.00 0.77 C ATOM 935 CE2 PHE A 61 -18.310 -2.968 5.507 1.00 0.56 C ATOM 936 CZ PHE A 61 -19.335 -2.132 5.108 1.00 0.68 C ATOM 0 H PHE A 61 -14.192 -3.999 3.030 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.325 -2.696 1.535 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.717 -2.155 4.000 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -15.260 -0.751 3.103 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -17.691 -0.346 2.777 1.00 0.66 H new ATOM 0 HD2 PHE A 61 -16.267 -3.518 5.235 1.00 0.45 H new ATOM 0 HE1 PHE A 61 -19.909 -0.533 3.812 1.00 0.77 H new ATOM 0 HE2 PHE A 61 -18.483 -3.706 6.277 1.00 0.56 H new ATOM 0 HZ PHE A 61 -20.310 -2.216 5.564 1.00 0.68 H new ATOM 946 N GLN A 62 -13.213 -2.248 0.895 1.00 0.22 N ATOM 947 CA GLN A 62 -12.295 -1.561 0.013 1.00 0.19 C ATOM 948 C GLN A 62 -11.907 -2.445 -1.159 1.00 0.19 C ATOM 949 O GLN A 62 -11.462 -3.577 -0.987 1.00 0.33 O ATOM 950 CB GLN A 62 -11.025 -1.116 0.747 1.00 0.19 C ATOM 951 CG GLN A 62 -10.229 -2.263 1.334 1.00 0.25 C ATOM 952 CD GLN A 62 -9.651 -1.949 2.688 1.00 0.40 C ATOM 953 OE1 GLN A 62 -9.396 -0.795 3.011 1.00 0.96 O ATOM 954 NE2 GLN A 62 -9.404 -2.982 3.468 1.00 0.29 N ATOM 0 H GLN A 62 -12.826 -3.063 1.371 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.814 -0.675 -0.353 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.391 -0.562 0.055 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.300 -0.429 1.547 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.872 -3.140 1.414 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.420 -2.523 0.651 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.635 -3.925 3.154 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -8.982 -2.839 4.386 1.00 0.29 H new ATOM 963 N LYS A 63 -12.099 -1.939 -2.354 1.00 0.19 N ATOM 964 CA LYS A 63 -11.543 -2.578 -3.522 1.00 0.18 C ATOM 965 C LYS A 63 -10.240 -1.891 -3.876 1.00 0.13 C ATOM 966 O LYS A 63 -10.232 -0.909 -4.616 1.00 0.14 O ATOM 967 CB LYS A 63 -12.517 -2.525 -4.699 1.00 0.26 C ATOM 968 CG LYS A 63 -13.746 -3.400 -4.515 1.00 1.14 C ATOM 969 CD LYS A 63 -14.716 -3.249 -5.675 1.00 1.68 C ATOM 970 CE LYS A 63 -15.897 -4.200 -5.549 1.00 2.52 C ATOM 971 NZ LYS A 63 -16.642 -4.006 -4.277 1.00 3.15 N ATOM 0 H LYS A 63 -12.633 -1.091 -2.542 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.359 -3.630 -3.303 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -12.836 -1.493 -4.849 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -11.995 -2.833 -5.605 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -13.442 -4.443 -4.427 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -14.247 -3.135 -3.584 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -15.079 -2.222 -5.715 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -14.194 -3.439 -6.613 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -16.573 -4.050 -6.391 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -15.541 -5.229 -5.606 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -17.520 -4.563 -4.300 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -16.054 -4.320 -3.479 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -16.874 -2.999 -4.161 1.00 3.15 H new ATOM 985 N LEU A 64 -9.142 -2.402 -3.334 1.00 0.12 N ATOM 986 CA LEU A 64 -7.843 -1.806 -3.557 1.00 0.10 C ATOM 987 C LEU A 64 -7.345 -2.203 -4.927 1.00 0.12 C ATOM 988 O LEU A 64 -7.208 -3.394 -5.237 1.00 0.14 O ATOM 989 CB LEU A 64 -6.853 -2.241 -2.450 1.00 0.11 C ATOM 990 CG LEU A 64 -5.346 -1.995 -2.693 1.00 0.13 C ATOM 991 CD1 LEU A 64 -4.704 -3.119 -3.493 1.00 0.48 C ATOM 992 CD2 LEU A 64 -5.109 -0.667 -3.388 1.00 0.51 C ATOM 0 H LEU A 64 -9.131 -3.229 -2.737 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.924 -0.720 -3.515 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.132 -1.727 -1.530 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -6.994 -3.307 -2.275 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.875 -1.968 -1.711 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.646 -2.903 -3.639 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.811 -4.059 -2.951 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.195 -3.202 -4.463 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.040 -0.524 -3.544 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.620 -0.664 -4.351 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.497 0.142 -2.769 1.00 0.51 H new ATOM 1004 N ILE A 65 -7.138 -1.178 -5.736 1.00 0.12 N ATOM 1005 CA ILE A 65 -6.528 -1.301 -7.037 1.00 0.14 C ATOM 1006 C ILE A 65 -5.352 -0.341 -7.122 1.00 0.15 C ATOM 1007 O ILE A 65 -5.530 0.881 -7.082 1.00 0.16 O ATOM 1008 CB ILE A 65 -7.533 -0.887 -8.114 1.00 0.16 C ATOM 1009 CG1 ILE A 65 -8.826 -1.702 -7.998 1.00 0.17 C ATOM 1010 CG2 ILE A 65 -6.925 -1.028 -9.504 1.00 0.20 C ATOM 1011 CD1 ILE A 65 -9.906 -1.274 -8.971 1.00 1.20 C ATOM 0 H ILE A 65 -7.396 -0.221 -5.497 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.208 -2.332 -7.186 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.782 0.163 -7.958 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.597 -2.755 -8.163 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.210 -1.615 -6.982 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.657 -0.728 -10.254 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.044 -0.391 -9.582 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.638 -2.066 -9.672 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -10.790 -1.896 -8.830 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.164 -0.230 -8.792 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.542 -1.388 -9.992 1.00 1.20 H new ATOM 1023 N PHE A 66 -4.160 -0.884 -7.138 1.00 0.17 N ATOM 1024 CA PHE A 66 -2.973 -0.113 -7.420 1.00 0.18 C ATOM 1025 C PHE A 66 -1.798 -1.021 -7.676 1.00 0.20 C ATOM 1026 O PHE A 66 -1.801 -2.159 -7.213 1.00 0.20 O ATOM 1027 CB PHE A 66 -2.670 0.962 -6.409 1.00 0.19 C ATOM 1028 CG PHE A 66 -2.580 2.316 -7.073 1.00 0.23 C ATOM 1029 CD1 PHE A 66 -1.756 2.528 -8.166 1.00 0.45 C ATOM 1030 CD2 PHE A 66 -3.307 3.390 -6.576 1.00 0.25 C ATOM 1031 CE1 PHE A 66 -1.660 3.776 -8.752 1.00 0.51 C ATOM 1032 CE2 PHE A 66 -3.217 4.639 -7.161 1.00 0.28 C ATOM 1033 CZ PHE A 66 -2.434 4.791 -8.342 1.00 0.36 C ATOM 0 H PHE A 66 -3.984 -1.872 -6.956 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.181 0.443 -8.334 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.447 0.978 -5.645 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.731 0.737 -5.903 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.180 1.706 -8.566 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -3.951 3.247 -5.721 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -0.952 3.936 -9.551 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.731 5.485 -6.730 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.464 5.715 -8.901 1.00 0.36 H new ATOM 1043 N LYS A 67 -0.851 -0.560 -8.485 1.00 0.22 N ATOM 1044 CA LYS A 67 0.378 -1.305 -8.816 1.00 0.25 C ATOM 1045 C LYS A 67 0.026 -2.543 -9.610 1.00 0.28 C ATOM 1046 O LYS A 67 0.744 -3.536 -9.588 1.00 0.32 O ATOM 1047 CB LYS A 67 1.238 -1.715 -7.565 1.00 0.25 C ATOM 1048 CG LYS A 67 0.632 -1.482 -6.172 1.00 0.18 C ATOM 1049 CD LYS A 67 1.599 -1.923 -5.072 1.00 0.21 C ATOM 1050 CE LYS A 67 0.966 -1.911 -3.685 1.00 0.18 C ATOM 1051 NZ LYS A 67 1.989 -1.791 -2.604 1.00 0.19 N ATOM 0 H LYS A 67 -0.907 0.351 -8.940 1.00 0.22 H new ATOM 0 HA LYS A 67 0.994 -0.624 -9.403 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.475 -2.775 -7.654 1.00 0.25 H new ATOM 0 HB3 LYS A 67 2.182 -1.172 -7.615 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.392 -0.426 -6.048 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.303 -2.034 -6.082 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.959 -2.928 -5.293 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.468 -1.266 -5.075 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.264 -1.080 -3.614 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.392 -2.826 -3.541 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.655 -2.286 -1.753 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.883 -2.216 -2.923 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 2.143 -0.787 -2.382 1.00 0.19 H new ATOM 1065 N GLY A 68 -1.064 -2.439 -10.359 1.00 0.31 N ATOM 1066 CA GLY A 68 -1.593 -3.569 -11.092 1.00 0.38 C ATOM 1067 C GLY A 68 -2.026 -4.676 -10.170 1.00 0.38 C ATOM 1068 O GLY A 68 -2.269 -5.811 -10.593 1.00 0.47 O ATOM 0 H GLY A 68 -1.597 -1.577 -10.472 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.441 -3.246 -11.697 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.835 -3.944 -11.780 1.00 0.38 H new ATOM 1072 N LYS A 69 -2.123 -4.331 -8.904 1.00 0.30 N ATOM 1073 CA LYS A 69 -2.431 -5.280 -7.867 1.00 0.33 C ATOM 1074 C LYS A 69 -3.730 -4.913 -7.188 1.00 0.24 C ATOM 1075 O LYS A 69 -4.073 -3.739 -7.051 1.00 0.23 O ATOM 1076 CB LYS A 69 -1.301 -5.305 -6.847 1.00 0.41 C ATOM 1077 CG LYS A 69 0.057 -5.482 -7.486 1.00 0.62 C ATOM 1078 CD LYS A 69 1.169 -5.509 -6.465 1.00 0.58 C ATOM 1079 CE LYS A 69 1.806 -6.879 -6.404 1.00 0.44 C ATOM 1080 NZ LYS A 69 2.231 -7.352 -7.746 1.00 1.21 N ATOM 0 H LYS A 69 -1.989 -3.377 -8.568 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.539 -6.269 -8.312 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.311 -4.376 -6.276 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.474 -6.116 -6.139 1.00 0.41 H new ATOM 0 HG2 LYS A 69 0.069 -6.410 -8.058 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.233 -4.670 -8.191 1.00 0.62 H new ATOM 0 HD2 LYS A 69 1.922 -4.763 -6.720 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.775 -5.242 -5.484 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.669 -6.849 -5.739 1.00 0.44 H new ATOM 0 HE3 LYS A 69 1.099 -7.589 -5.976 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.991 -8.054 -7.642 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 1.422 -7.788 -8.233 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.578 -6.546 -8.304 1.00 1.21 H new ATOM 1094 N SER A 70 -4.456 -5.919 -6.784 1.00 0.23 N ATOM 1095 CA SER A 70 -5.697 -5.713 -6.091 1.00 0.21 C ATOM 1096 C SER A 70 -5.604 -6.357 -4.716 1.00 0.23 C ATOM 1097 O SER A 70 -4.830 -7.285 -4.519 1.00 0.31 O ATOM 1098 CB SER A 70 -6.857 -6.283 -6.909 1.00 0.24 C ATOM 1099 OG SER A 70 -8.104 -5.781 -6.454 1.00 1.27 O ATOM 0 H SER A 70 -4.206 -6.898 -6.925 1.00 0.23 H new ATOM 0 HA SER A 70 -5.886 -4.647 -5.962 1.00 0.21 H new ATOM 0 HB2 SER A 70 -6.722 -6.030 -7.961 1.00 0.24 H new ATOM 0 HB3 SER A 70 -6.853 -7.371 -6.840 1.00 0.24 H new ATOM 0 HG SER A 70 -7.964 -4.928 -5.992 1.00 1.27 H new ATOM 1105 N LEU A 71 -6.365 -5.843 -3.766 1.00 0.19 N ATOM 1106 CA LEU A 71 -6.246 -6.285 -2.371 1.00 0.21 C ATOM 1107 C LEU A 71 -6.764 -7.704 -2.144 1.00 0.26 C ATOM 1108 O LEU A 71 -7.723 -8.146 -2.782 1.00 0.32 O ATOM 1109 CB LEU A 71 -6.929 -5.282 -1.418 1.00 0.23 C ATOM 1110 CG LEU A 71 -8.475 -5.296 -1.308 1.00 0.31 C ATOM 1111 CD1 LEU A 71 -9.150 -5.432 -2.666 1.00 1.34 C ATOM 1112 CD2 LEU A 71 -8.954 -6.379 -0.348 1.00 1.21 C ATOM 0 H LEU A 71 -7.070 -5.123 -3.924 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.180 -6.312 -2.144 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.525 -5.447 -0.419 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.628 -4.279 -1.722 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.769 -4.329 -0.900 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.232 -5.437 -2.536 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.865 -4.592 -3.300 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.837 -6.364 -3.136 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.043 -6.362 -0.294 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.624 -7.354 -0.706 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.538 -6.196 0.643 1.00 1.21 H new ATOM 1124 N LYS A 72 -6.107 -8.403 -1.221 1.00 0.34 N ATOM 1125 CA LYS A 72 -6.522 -9.731 -0.799 1.00 0.46 C ATOM 1126 C LYS A 72 -5.618 -10.196 0.345 1.00 0.66 C ATOM 1127 O LYS A 72 -4.719 -9.459 0.751 1.00 1.33 O ATOM 1128 CB LYS A 72 -6.420 -10.715 -1.974 1.00 0.47 C ATOM 1129 CG LYS A 72 -7.221 -11.998 -1.791 1.00 0.87 C ATOM 1130 CD LYS A 72 -7.053 -12.927 -2.980 1.00 1.37 C ATOM 1131 CE LYS A 72 -7.732 -12.374 -4.221 1.00 2.01 C ATOM 1132 NZ LYS A 72 -7.302 -13.088 -5.451 1.00 2.72 N ATOM 0 H LYS A 72 -5.271 -8.061 -0.747 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.558 -9.697 -0.461 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -6.760 -10.215 -2.881 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -5.372 -10.974 -2.126 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -6.897 -12.505 -0.882 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -8.276 -11.756 -1.662 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -5.992 -13.075 -3.180 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -7.471 -13.905 -2.741 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -8.813 -12.458 -4.111 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -7.503 -11.313 -4.318 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -7.787 -12.681 -6.276 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -6.274 -12.987 -5.570 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -7.543 -14.096 -5.369 1.00 2.72 H new ATOM 1146 N GLU A 73 -5.859 -11.403 0.863 1.00 0.69 N ATOM 1147 CA GLU A 73 -4.991 -12.001 1.879 1.00 0.83 C ATOM 1148 C GLU A 73 -3.550 -12.023 1.375 1.00 0.82 C ATOM 1149 O GLU A 73 -2.642 -11.452 1.980 1.00 1.56 O ATOM 1150 CB GLU A 73 -5.421 -13.445 2.174 1.00 1.03 C ATOM 1151 CG GLU A 73 -6.918 -13.638 2.356 1.00 1.62 C ATOM 1152 CD GLU A 73 -7.463 -12.919 3.566 1.00 1.93 C ATOM 1153 OE1 GLU A 73 -7.339 -13.461 4.680 1.00 1.93 O ATOM 1154 OE2 GLU A 73 -7.993 -11.799 3.410 1.00 2.84 O ATOM 0 H GLU A 73 -6.651 -11.987 0.594 1.00 0.69 H new ATOM 0 HA GLU A 73 -5.068 -11.404 2.788 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -5.083 -14.084 1.358 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -4.912 -13.784 3.077 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -7.435 -13.282 1.465 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -7.133 -14.703 2.446 1.00 1.62 H new ATOM 1161 N MET A 74 -3.373 -12.700 0.254 1.00 0.58 N ATOM 1162 CA MET A 74 -2.084 -12.828 -0.399 1.00 0.54 C ATOM 1163 C MET A 74 -2.302 -12.858 -1.906 1.00 0.47 C ATOM 1164 O MET A 74 -2.603 -13.899 -2.486 1.00 0.61 O ATOM 1165 CB MET A 74 -1.366 -14.096 0.087 1.00 0.62 C ATOM 1166 CG MET A 74 -2.205 -15.360 -0.011 1.00 1.44 C ATOM 1167 SD MET A 74 -1.334 -16.825 0.570 1.00 1.93 S ATOM 1168 CE MET A 74 -2.571 -18.078 0.252 1.00 2.96 C ATOM 0 H MET A 74 -4.129 -13.181 -0.233 1.00 0.58 H new ATOM 0 HA MET A 74 -1.450 -11.978 -0.148 1.00 0.54 H new ATOM 0 HB2 MET A 74 -0.455 -14.231 -0.496 1.00 0.62 H new ATOM 0 HB3 MET A 74 -1.062 -13.954 1.124 1.00 0.62 H new ATOM 0 HG2 MET A 74 -3.117 -15.231 0.572 1.00 1.44 H new ATOM 0 HG3 MET A 74 -2.507 -15.510 -1.047 1.00 1.44 H new ATOM 0 HE1 MET A 74 -2.189 -19.052 0.557 1.00 2.96 H new ATOM 0 HE2 MET A 74 -3.474 -17.849 0.817 1.00 2.96 H new ATOM 0 HE3 MET A 74 -2.804 -18.097 -0.813 1.00 2.96 H new ATOM 1178 N GLU A 75 -2.185 -11.700 -2.533 1.00 0.35 N ATOM 1179 CA GLU A 75 -2.607 -11.546 -3.909 1.00 0.33 C ATOM 1180 C GLU A 75 -1.459 -11.725 -4.911 1.00 0.30 C ATOM 1181 O GLU A 75 -1.074 -12.847 -5.232 1.00 0.49 O ATOM 1182 CB GLU A 75 -3.287 -10.181 -4.068 1.00 0.38 C ATOM 1183 CG GLU A 75 -3.883 -9.907 -5.446 1.00 0.92 C ATOM 1184 CD GLU A 75 -4.958 -10.901 -5.857 1.00 1.67 C ATOM 1185 OE1 GLU A 75 -4.770 -12.119 -5.667 1.00 2.03 O ATOM 1186 OE2 GLU A 75 -5.996 -10.467 -6.391 1.00 2.49 O ATOM 0 H GLU A 75 -1.801 -10.855 -2.109 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.317 -12.340 -4.140 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -4.080 -10.099 -3.324 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.558 -9.402 -3.844 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.307 -8.903 -5.455 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -3.084 -9.923 -6.187 1.00 0.92 H new ATOM 1193 N THR A 76 -0.900 -10.619 -5.375 1.00 0.27 N ATOM 1194 CA THR A 76 -0.008 -10.645 -6.533 1.00 0.26 C ATOM 1195 C THR A 76 1.478 -10.480 -6.180 1.00 0.17 C ATOM 1196 O THR A 76 1.813 -9.893 -5.156 1.00 0.18 O ATOM 1197 CB THR A 76 -0.433 -9.578 -7.555 1.00 0.40 C ATOM 1198 OG1 THR A 76 -0.937 -8.428 -6.870 1.00 0.49 O ATOM 1199 CG2 THR A 76 -1.496 -10.121 -8.500 1.00 0.69 C ATOM 0 H THR A 76 -1.045 -9.693 -4.972 1.00 0.27 H new ATOM 0 HA THR A 76 -0.106 -11.640 -6.967 1.00 0.26 H new ATOM 0 HB THR A 76 0.440 -9.300 -8.145 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.716 -8.077 -7.349 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.779 -9.346 -9.213 1.00 0.69 H new ATOM 0 HG22 THR A 76 -1.099 -10.982 -9.038 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.372 -10.424 -7.927 1.00 0.69 H new ATOM 1207 N PRO A 77 2.365 -11.040 -7.044 1.00 0.19 N ATOM 1208 CA PRO A 77 3.834 -11.021 -6.922 1.00 0.18 C ATOM 1209 C PRO A 77 4.432 -9.872 -6.093 1.00 0.14 C ATOM 1210 O PRO A 77 4.222 -8.691 -6.378 1.00 0.16 O ATOM 1211 CB PRO A 77 4.240 -10.902 -8.382 1.00 0.30 C ATOM 1212 CG PRO A 77 3.239 -11.732 -9.118 1.00 0.36 C ATOM 1213 CD PRO A 77 1.988 -11.773 -8.267 1.00 0.28 C ATOM 0 HA PRO A 77 4.200 -11.894 -6.381 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.218 -9.865 -8.717 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.254 -11.268 -8.543 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.026 -11.302 -10.097 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.623 -12.738 -9.289 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.146 -11.300 -8.772 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.691 -12.798 -8.043 1.00 0.28 H new ATOM 1221 N LEU A 78 5.202 -10.266 -5.085 1.00 0.14 N ATOM 1222 CA LEU A 78 5.754 -9.366 -4.069 1.00 0.15 C ATOM 1223 C LEU A 78 6.787 -8.365 -4.600 1.00 0.16 C ATOM 1224 O LEU A 78 6.873 -7.247 -4.108 1.00 0.16 O ATOM 1225 CB LEU A 78 6.349 -10.189 -2.925 1.00 0.19 C ATOM 1226 CG LEU A 78 5.337 -11.055 -2.183 1.00 0.19 C ATOM 1227 CD1 LEU A 78 5.070 -12.355 -2.929 1.00 0.22 C ATOM 1228 CD2 LEU A 78 5.801 -11.346 -0.769 1.00 0.24 C ATOM 0 H LEU A 78 5.468 -11.241 -4.945 1.00 0.14 H new ATOM 0 HA LEU A 78 4.921 -8.759 -3.714 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.135 -10.830 -3.325 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.821 -9.512 -2.213 1.00 0.19 H new ATOM 0 HG LEU A 78 4.404 -10.494 -2.131 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.345 -12.950 -2.375 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.674 -12.131 -3.920 1.00 0.22 H new ATOM 0 HD13 LEU A 78 6.000 -12.915 -3.028 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.060 -11.965 -0.263 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.754 -11.873 -0.800 1.00 0.24 H new ATOM 0 HD23 LEU A 78 5.922 -10.409 -0.226 1.00 0.24 H new ATOM 1240 N SER A 79 7.594 -8.753 -5.570 1.00 0.18 N ATOM 1241 CA SER A 79 8.562 -7.820 -6.151 1.00 0.22 C ATOM 1242 C SER A 79 7.825 -6.628 -6.761 1.00 0.22 C ATOM 1243 O SER A 79 8.248 -5.477 -6.648 1.00 0.24 O ATOM 1244 CB SER A 79 9.434 -8.522 -7.199 1.00 0.27 C ATOM 1245 OG SER A 79 10.362 -7.628 -7.793 1.00 1.17 O ATOM 0 H SER A 79 7.606 -9.690 -5.972 1.00 0.18 H new ATOM 0 HA SER A 79 9.222 -7.458 -5.363 1.00 0.22 H new ATOM 0 HB2 SER A 79 9.971 -9.347 -6.732 1.00 0.27 H new ATOM 0 HB3 SER A 79 8.798 -8.953 -7.972 1.00 0.27 H new ATOM 0 HG SER A 79 10.902 -8.109 -8.454 1.00 1.17 H new ATOM 1251 N ALA A 80 6.698 -6.927 -7.375 1.00 0.20 N ATOM 1252 CA ALA A 80 5.844 -5.929 -7.996 1.00 0.22 C ATOM 1253 C ALA A 80 4.988 -5.192 -6.959 1.00 0.18 C ATOM 1254 O ALA A 80 4.183 -4.331 -7.307 1.00 0.19 O ATOM 1255 CB ALA A 80 4.976 -6.582 -9.054 1.00 0.27 C ATOM 0 H ALA A 80 6.344 -7.880 -7.459 1.00 0.20 H new ATOM 0 HA ALA A 80 6.480 -5.183 -8.472 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.338 -5.829 -9.516 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.610 -7.037 -9.815 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.355 -7.350 -8.592 1.00 0.27 H new ATOM 1261 N LEU A 81 5.156 -5.551 -5.689 1.00 0.14 N ATOM 1262 CA LEU A 81 4.285 -5.090 -4.604 1.00 0.13 C ATOM 1263 C LEU A 81 4.514 -3.608 -4.245 1.00 0.12 C ATOM 1264 O LEU A 81 4.181 -3.185 -3.144 1.00 0.11 O ATOM 1265 CB LEU A 81 4.484 -5.963 -3.359 1.00 0.13 C ATOM 1266 CG LEU A 81 3.221 -6.385 -2.587 1.00 0.15 C ATOM 1267 CD1 LEU A 81 2.217 -5.253 -2.469 1.00 0.16 C ATOM 1268 CD2 LEU A 81 2.583 -7.593 -3.245 1.00 0.19 C ATOM 0 H LEU A 81 5.903 -6.173 -5.379 1.00 0.14 H new ATOM 0 HA LEU A 81 3.259 -5.181 -4.962 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.013 -6.867 -3.661 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.137 -5.426 -2.671 1.00 0.13 H new ATOM 0 HG LEU A 81 3.530 -6.648 -1.575 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.343 -5.598 -1.917 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.673 -4.416 -1.940 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.913 -4.931 -3.465 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.691 -7.881 -2.689 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.308 -7.346 -4.270 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.291 -8.422 -3.249 1.00 0.19 H new ATOM 1280 N GLY A 82 5.072 -2.799 -5.147 1.00 0.12 N ATOM 1281 CA GLY A 82 5.285 -1.405 -4.789 1.00 0.12 C ATOM 1282 C GLY A 82 6.713 -1.028 -4.463 1.00 0.11 C ATOM 1283 O GLY A 82 6.925 -0.259 -3.527 1.00 0.12 O ATOM 0 H GLY A 82 5.370 -3.070 -6.084 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.941 -0.780 -5.613 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.660 -1.169 -3.928 1.00 0.12 H new ATOM 1287 N MET A 83 7.708 -1.571 -5.184 1.00 0.13 N ATOM 1288 CA MET A 83 9.087 -1.148 -4.927 1.00 0.15 C ATOM 1289 C MET A 83 9.298 0.310 -5.351 1.00 0.15 C ATOM 1290 O MET A 83 9.757 0.618 -6.451 1.00 0.19 O ATOM 1291 CB MET A 83 10.083 -2.051 -5.674 1.00 0.20 C ATOM 1292 CG MET A 83 9.751 -2.273 -7.143 1.00 0.49 C ATOM 1293 SD MET A 83 11.083 -3.093 -8.044 1.00 0.97 S ATOM 1294 CE MET A 83 11.348 -4.542 -7.024 1.00 1.79 C ATOM 0 H MET A 83 7.591 -2.272 -5.916 1.00 0.13 H new ATOM 0 HA MET A 83 9.265 -1.234 -3.855 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.078 -1.612 -5.601 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.124 -3.018 -5.173 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.844 -2.873 -7.219 1.00 0.49 H new ATOM 0 HG3 MET A 83 9.539 -1.312 -7.612 1.00 0.49 H new ATOM 0 HE1 MET A 83 11.578 -5.397 -7.660 1.00 1.79 H new ATOM 0 HE2 MET A 83 12.181 -4.361 -6.344 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.447 -4.750 -6.447 1.00 1.79 H new ATOM 1304 N GLN A 84 8.932 1.180 -4.435 1.00 0.14 N ATOM 1305 CA GLN A 84 9.242 2.600 -4.426 1.00 0.15 C ATOM 1306 C GLN A 84 8.820 3.024 -3.056 1.00 0.16 C ATOM 1307 O GLN A 84 8.303 2.162 -2.357 1.00 0.16 O ATOM 1308 CB GLN A 84 8.557 3.400 -5.534 1.00 0.16 C ATOM 1309 CG GLN A 84 7.090 3.080 -5.747 1.00 0.61 C ATOM 1310 CD GLN A 84 6.604 3.517 -7.116 1.00 1.08 C ATOM 1311 OE1 GLN A 84 6.628 2.745 -8.070 1.00 1.79 O ATOM 1312 NE2 GLN A 84 6.176 4.763 -7.228 1.00 1.61 N ATOM 0 H GLN A 84 8.376 0.902 -3.626 1.00 0.14 H new ATOM 0 HA GLN A 84 10.295 2.790 -4.633 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.652 4.462 -5.306 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.090 3.226 -6.469 1.00 0.16 H new ATOM 0 HG2 GLN A 84 6.933 2.007 -5.632 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.496 3.573 -4.977 1.00 0.61 H new ATOM 0 HE21 GLN A 84 6.171 5.376 -6.413 1.00 1.61 H new ATOM 0 HE22 GLN A 84 5.851 5.112 -8.130 1.00 1.61 H new ATOM 1321 N ASN A 85 9.025 4.257 -2.605 1.00 0.17 N ATOM 1322 CA ASN A 85 8.453 4.583 -1.296 1.00 0.17 C ATOM 1323 C ASN A 85 6.972 4.260 -1.355 1.00 0.16 C ATOM 1324 O ASN A 85 6.219 4.953 -1.997 1.00 0.18 O ATOM 1325 CB ASN A 85 8.628 6.066 -0.906 1.00 0.19 C ATOM 1326 CG ASN A 85 8.172 7.026 -1.993 1.00 0.28 C ATOM 1327 OD1 ASN A 85 8.285 6.736 -3.177 1.00 1.22 O ATOM 1328 ND2 ASN A 85 7.647 8.175 -1.598 1.00 0.99 N ATOM 0 H ASN A 85 9.541 4.999 -3.079 1.00 0.17 H new ATOM 0 HA ASN A 85 8.978 3.999 -0.540 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.065 6.265 0.006 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.677 6.255 -0.680 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.321 8.851 -2.289 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.568 8.384 -0.603 1.00 0.99 H new ATOM 1335 N GLY A 86 6.601 3.193 -0.669 1.00 0.15 N ATOM 1336 CA GLY A 86 5.230 2.721 -0.556 1.00 0.14 C ATOM 1337 C GLY A 86 4.485 2.442 -1.867 1.00 0.12 C ATOM 1338 O GLY A 86 3.613 1.572 -1.896 1.00 0.13 O ATOM 0 H GLY A 86 7.266 2.612 -0.159 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.234 1.805 0.034 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.661 3.461 0.007 1.00 0.14 H new ATOM 1342 N CYS A 87 4.849 3.136 -2.945 1.00 0.11 N ATOM 1343 CA CYS A 87 4.120 3.089 -4.208 1.00 0.12 C ATOM 1344 C CYS A 87 2.738 3.723 -4.047 1.00 0.12 C ATOM 1345 O CYS A 87 2.575 4.716 -3.335 1.00 0.17 O ATOM 1346 CB CYS A 87 3.996 1.654 -4.677 1.00 0.23 C ATOM 1347 SG CYS A 87 3.634 1.451 -6.438 1.00 0.94 S ATOM 0 H CYS A 87 5.663 3.750 -2.965 1.00 0.11 H new ATOM 0 HA CYS A 87 4.671 3.656 -4.958 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.926 1.132 -4.451 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.209 1.167 -4.102 1.00 0.23 H new ATOM 0 HG CYS A 87 2.429 0.986 -6.582 1.00 0.94 H new ATOM 1353 N ARG A 88 1.742 3.160 -4.718 1.00 0.12 N ATOM 1354 CA ARG A 88 0.388 3.680 -4.649 1.00 0.13 C ATOM 1355 C ARG A 88 -0.591 2.532 -4.408 1.00 0.12 C ATOM 1356 O ARG A 88 -0.318 1.404 -4.809 1.00 0.15 O ATOM 1357 CB ARG A 88 0.024 4.420 -5.945 1.00 0.19 C ATOM 1358 CG ARG A 88 1.070 5.418 -6.421 1.00 0.82 C ATOM 1359 CD ARG A 88 2.111 4.766 -7.327 1.00 0.41 C ATOM 1360 NE ARG A 88 1.653 4.656 -8.714 1.00 0.90 N ATOM 1361 CZ ARG A 88 2.042 3.696 -9.556 1.00 1.29 C ATOM 1362 NH1 ARG A 88 2.847 2.728 -9.138 1.00 1.26 N ATOM 1363 NH2 ARG A 88 1.621 3.697 -10.815 1.00 2.07 N ATOM 0 H ARG A 88 1.849 2.341 -5.317 1.00 0.12 H new ATOM 0 HA ARG A 88 0.326 4.388 -3.822 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.143 3.685 -6.733 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.919 4.946 -5.795 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.579 6.229 -6.958 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.567 5.862 -5.558 1.00 0.82 H new ATOM 0 HD2 ARG A 88 3.032 5.349 -7.296 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.350 3.773 -6.946 1.00 0.41 H new ATOM 0 HE ARG A 88 0.996 5.356 -9.058 1.00 0.90 H new ATOM 0 HH11 ARG A 88 3.171 2.716 -8.171 1.00 1.26 H new ATOM 0 HH12 ARG A 88 3.142 1.996 -9.784 1.00 1.26 H new ATOM 0 HH21 ARG A 88 0.997 4.434 -11.143 1.00 2.07 H new ATOM 0 HH22 ARG A 88 1.922 2.961 -11.454 1.00 2.07 H new ATOM 1377 N VAL A 89 -1.694 2.824 -3.711 1.00 0.11 N ATOM 1378 CA VAL A 89 -2.792 1.873 -3.490 1.00 0.11 C ATOM 1379 C VAL A 89 -4.105 2.624 -3.323 1.00 0.11 C ATOM 1380 O VAL A 89 -4.294 3.355 -2.350 1.00 0.12 O ATOM 1381 CB VAL A 89 -2.581 0.982 -2.243 1.00 0.13 C ATOM 1382 CG1 VAL A 89 -1.571 -0.118 -2.509 1.00 0.20 C ATOM 1383 CG2 VAL A 89 -2.156 1.813 -1.046 1.00 0.18 C ATOM 0 H VAL A 89 -1.853 3.735 -3.280 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.816 1.226 -4.367 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.537 0.511 -2.015 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.448 -0.724 -1.611 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.925 -0.747 -3.326 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.613 0.325 -2.781 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -2.015 1.162 -0.183 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.220 2.325 -1.272 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.927 2.550 -0.822 1.00 0.18 H new ATOM 1393 N MET A 90 -5.010 2.492 -4.271 1.00 0.11 N ATOM 1394 CA MET A 90 -6.293 3.142 -4.104 1.00 0.12 C ATOM 1395 C MET A 90 -7.450 2.181 -4.154 1.00 0.12 C ATOM 1396 O MET A 90 -7.553 1.329 -5.027 1.00 0.13 O ATOM 1397 CB MET A 90 -6.470 4.345 -5.016 1.00 0.16 C ATOM 1398 CG MET A 90 -7.785 4.403 -5.794 1.00 0.68 C ATOM 1399 SD MET A 90 -7.795 3.387 -7.288 1.00 1.30 S ATOM 1400 CE MET A 90 -6.544 4.205 -8.274 1.00 1.92 C ATOM 0 H MET A 90 -4.890 1.962 -5.134 1.00 0.11 H new ATOM 0 HA MET A 90 -6.294 3.543 -3.090 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.386 5.249 -4.413 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.646 4.360 -5.730 1.00 0.16 H new ATOM 0 HG2 MET A 90 -8.597 4.081 -5.142 1.00 0.68 H new ATOM 0 HG3 MET A 90 -7.988 5.438 -6.069 1.00 0.68 H new ATOM 0 HE1 MET A 90 -6.930 4.383 -9.278 1.00 1.92 H new ATOM 0 HE2 MET A 90 -6.282 5.157 -7.812 1.00 1.92 H new ATOM 0 HE3 MET A 90 -5.657 3.574 -8.333 1.00 1.92 H new ATOM 1410 N LEU A 91 -8.299 2.320 -3.173 1.00 0.12 N ATOM 1411 CA LEU A 91 -9.438 1.457 -3.018 1.00 0.12 C ATOM 1412 C LEU A 91 -10.698 2.199 -3.374 1.00 0.14 C ATOM 1413 O LEU A 91 -10.918 3.339 -2.942 1.00 0.15 O ATOM 1414 CB LEU A 91 -9.515 0.858 -1.596 1.00 0.11 C ATOM 1415 CG LEU A 91 -9.739 1.810 -0.387 1.00 0.12 C ATOM 1416 CD1 LEU A 91 -8.927 3.087 -0.493 1.00 0.15 C ATOM 1417 CD2 LEU A 91 -11.218 2.125 -0.193 1.00 0.14 C ATOM 0 H LEU A 91 -8.220 3.039 -2.454 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.325 0.617 -3.704 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.322 0.125 -1.591 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.588 0.313 -1.418 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.383 1.276 0.494 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.121 3.715 0.377 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.866 2.841 -0.533 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.210 3.624 -1.399 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.339 2.793 0.660 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.608 2.607 -1.089 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.766 1.201 -0.011 1.00 0.14 H new ATOM 1429 N ILE A 92 -11.516 1.587 -4.189 1.00 0.18 N ATOM 1430 CA ILE A 92 -12.775 2.190 -4.503 1.00 0.23 C ATOM 1431 C ILE A 92 -13.902 1.363 -3.931 1.00 0.23 C ATOM 1432 O ILE A 92 -14.138 0.224 -4.327 1.00 0.26 O ATOM 1433 CB ILE A 92 -12.977 2.402 -6.016 1.00 0.31 C ATOM 1434 CG1 ILE A 92 -11.771 3.128 -6.620 1.00 0.42 C ATOM 1435 CG2 ILE A 92 -14.254 3.194 -6.266 1.00 0.37 C ATOM 1436 CD1 ILE A 92 -11.854 3.299 -8.121 1.00 0.51 C ATOM 0 H ILE A 92 -11.335 0.689 -4.638 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.778 3.180 -4.046 1.00 0.23 H new ATOM 0 HB ILE A 92 -13.068 1.428 -6.497 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.679 4.110 -6.156 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.865 2.574 -6.376 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.388 3.339 -7.338 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.106 2.646 -5.864 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.182 4.164 -5.775 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -10.966 3.821 -8.477 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.914 2.320 -8.596 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.742 3.880 -8.373 1.00 0.51 H new ATOM 1448 N GLY A 93 -14.562 1.960 -2.973 1.00 0.24 N ATOM 1449 CA GLY A 93 -15.675 1.343 -2.303 1.00 0.28 C ATOM 1450 C GLY A 93 -16.074 2.188 -1.125 1.00 0.30 C ATOM 1451 O GLY A 93 -16.852 3.125 -1.270 1.00 0.45 O ATOM 0 H GLY A 93 -14.340 2.896 -2.634 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.514 1.236 -2.990 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.405 0.340 -1.972 1.00 0.28 H new ATOM 1455 N GLU A 94 -15.492 1.895 0.025 1.00 0.25 N ATOM 1456 CA GLU A 94 -15.692 2.694 1.223 1.00 0.26 C ATOM 1457 C GLU A 94 -14.429 2.679 2.079 1.00 0.24 C ATOM 1458 O GLU A 94 -13.788 1.643 2.214 1.00 0.35 O ATOM 1459 CB GLU A 94 -16.863 2.142 2.040 1.00 0.32 C ATOM 1460 CG GLU A 94 -18.239 2.468 1.478 1.00 0.98 C ATOM 1461 CD GLU A 94 -18.550 3.952 1.509 1.00 1.53 C ATOM 1462 OE1 GLU A 94 -18.732 4.507 2.611 1.00 2.17 O ATOM 1463 OE2 GLU A 94 -18.599 4.576 0.429 1.00 2.02 O ATOM 0 H GLU A 94 -14.869 1.098 0.155 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.915 3.718 0.922 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -16.761 1.059 2.110 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.797 2.534 3.055 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.301 2.110 0.450 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -18.996 1.931 2.049 1.00 0.98 H new ATOM 1470 N LYS A 95 -14.055 3.830 2.623 1.00 0.25 N ATOM 1471 CA LYS A 95 -13.011 3.896 3.636 1.00 0.26 C ATOM 1472 C LYS A 95 -13.678 3.906 5.008 1.00 0.39 C ATOM 1473 O LYS A 95 -13.572 4.875 5.761 1.00 0.48 O ATOM 1474 CB LYS A 95 -12.152 5.156 3.459 1.00 0.28 C ATOM 1475 CG LYS A 95 -11.064 5.072 2.386 1.00 0.27 C ATOM 1476 CD LYS A 95 -9.919 4.153 2.769 1.00 0.55 C ATOM 1477 CE LYS A 95 -8.586 4.717 2.276 1.00 0.35 C ATOM 1478 NZ LYS A 95 -8.116 5.836 3.130 1.00 1.19 N ATOM 0 H LYS A 95 -14.461 4.733 2.378 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.354 3.032 3.538 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.810 5.991 3.219 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.679 5.388 4.413 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -11.508 4.721 1.454 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.672 6.071 2.196 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -9.890 4.032 3.852 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -10.081 3.164 2.341 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.836 3.926 2.267 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.695 5.064 1.248 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -7.113 6.026 2.933 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.676 6.688 2.925 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -8.229 5.580 4.132 1.00 1.19 H new ATOM 1492 N SER A 96 -14.391 2.828 5.305 1.00 0.46 N ATOM 1493 CA SER A 96 -15.223 2.744 6.496 1.00 0.65 C ATOM 1494 C SER A 96 -14.404 2.763 7.783 1.00 0.80 C ATOM 1495 O SER A 96 -13.303 2.219 7.847 1.00 0.99 O ATOM 1496 CB SER A 96 -16.063 1.469 6.442 1.00 0.74 C ATOM 1497 OG SER A 96 -16.828 1.417 5.252 1.00 1.30 O ATOM 0 H SER A 96 -14.408 1.988 4.727 1.00 0.46 H new ATOM 0 HA SER A 96 -15.866 3.624 6.508 1.00 0.65 H new ATOM 0 HB2 SER A 96 -15.411 0.597 6.498 1.00 0.74 H new ATOM 0 HB3 SER A 96 -16.725 1.428 7.307 1.00 0.74 H new ATOM 0 HG SER A 96 -16.941 0.483 4.976 1.00 1.30 H new ATOM 1503 N ASN A 97 -14.966 3.398 8.800 1.00 1.03 N ATOM 1504 CA ASN A 97 -14.379 3.406 10.129 1.00 1.27 C ATOM 1505 C ASN A 97 -15.215 2.523 11.038 1.00 1.85 C ATOM 1506 O ASN A 97 -16.143 3.051 11.685 1.00 2.21 O ATOM 1507 CB ASN A 97 -14.329 4.830 10.696 1.00 1.62 C ATOM 1508 CG ASN A 97 -13.361 5.733 9.956 1.00 1.97 C ATOM 1509 OD1 ASN A 97 -12.192 5.835 10.319 1.00 2.51 O ATOM 1510 ND2 ASN A 97 -13.843 6.403 8.919 1.00 2.63 N ATOM 1511 OXT ASN A 97 -14.987 1.298 11.057 1.00 2.58 O ATOM 0 H ASN A 97 -15.839 3.920 8.727 1.00 1.03 H new ATOM 0 HA ASN A 97 -13.358 3.028 10.070 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -15.327 5.266 10.654 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -14.044 4.786 11.747 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -13.237 7.031 8.391 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -14.820 6.291 8.649 1.00 2.63 H new TER 1518 ASN A 97