USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1248 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 151 LYS NZ :NH3+ 149:sc= -0.0267 (180deg=-0.558) USER MOD Set 1.2: A 155 GLN : amide:sc= -0.539 K(o=-0.57,f=-3.8!) USER MOD Set 2.1: A 143 THR OG1 : rot 180:sc= -0.0537 USER MOD Set 2.2: A 144 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0.132 USER MOD Set 3.2: A 130 LYS NZ :NH3+ -151:sc= 0.14 (180deg=0) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.909 X(o=-0.91,f=-0.79) USER MOD Set 4.2: A 119 SER OG : rot 130:sc= 0 USER MOD Set 5.1: A 44 THR OG1 : rot -47:sc= 0.422 USER MOD Set 5.2: A 164 THR OG1 : rot -57:sc= 1.04 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 22 SER OG : rot 160:sc= -0.747 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00325) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0416 USER MOD Single : A 46 ASN : amide:sc=-0.000104 X(o=-0.0001,f=-0.19) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 130:sc= -2.7 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -127:sc= 0.34 (180deg=-0.151) USER MOD Single : A 68 MET CE :methyl -147:sc= -2.69 (180deg=-8.28!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0589 K(o=-0.059,f=-1.7!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 170:sc= -1.19 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.904 USER MOD Single : A 101 TYR OH : rot 165:sc= -2.92! USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 104 ASN : amide:sc= -0.274 K(o=-0.27,f=-3.1!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 169:sc= -1.49 USER MOD Single : A 112 GLN : amide:sc= -2.16! C(o=-2.2!,f=-7.1!) USER MOD Single : A 117 GLN : amide:sc= -0.295 K(o=-0.3,f=-1.6!) USER MOD Single : A 118 MET CE :methyl 144:sc= -0.0356 (180deg=-0.346) USER MOD Single : A 120 THR OG1 : rot -76:sc= -1.12 USER MOD Single : A 121 LYS NZ :NH3+ 146:sc= -0.427 (180deg=-2.13!) USER MOD Single : A 125 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.029) USER MOD Single : A 128 GLN : amide:sc= -3.41! C(o=-3.4!,f=-5.1!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 138 THR OG1 : rot 72:sc= -0.27! USER MOD Single : A 139 THR OG1 : rot 30:sc= -2.47! USER MOD Single : A 145 ASN : amide:sc= -6.43! C(o=-6.4!,f=-3.6!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 86:sc= 0.99 USER MOD Single : A 153 GLN : amide:sc= -0.295 K(o=-0.29,f=-1.5!) USER MOD Single : A 156 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 GLN : amide:sc= -0.0947 X(o=-0.095,f=0) USER MOD Single : A 162 MET CE :methyl -131:sc= -7.52! (180deg=-18.2!) USER MOD Single : A 163 THR OG1 : rot 89:sc= 1.01 USER MOD Single : A 165 HIS : no HE2:sc= -0.599 K(o=-0.6,f=-1.6) USER MOD Single : A 170 SER OG : rot -122:sc= -3.35! USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.365 K(o=-0.37,f=-2.6!) USER MOD Single : A 177 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 178 SER OG : rot -160:sc= -3.05! USER MOD Single : A 184 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.94) USER MOD Single : A 185 MET CE :methyl 140:sc= -0.075 (180deg=-0.773) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 19.720 12.263 0.791 1.00 0.71 N ATOM 21 CA THR A 21 20.257 11.158 -0.054 1.00 0.55 C ATOM 22 C THR A 21 19.112 10.495 -0.821 1.00 0.42 C ATOM 23 O THR A 21 17.955 10.807 -0.622 1.00 0.44 O ATOM 24 CB THR A 21 20.934 10.116 0.842 1.00 0.62 C ATOM 25 OG1 THR A 21 19.939 9.356 1.513 1.00 2.00 O ATOM 26 CG2 THR A 21 21.820 10.819 1.871 1.00 2.13 C ATOM 0 HA THR A 21 20.982 11.563 -0.760 1.00 0.55 H new ATOM 0 HB THR A 21 21.549 9.456 0.230 1.00 0.62 H new ATOM 0 HG1 THR A 21 20.369 8.687 2.086 1.00 2.00 H new ATOM 0 HG21 THR A 21 22.300 10.075 2.507 1.00 2.13 H new ATOM 0 HG22 THR A 21 22.583 11.403 1.356 1.00 2.13 H new ATOM 0 HG23 THR A 21 21.209 11.481 2.485 1.00 2.13 H new ATOM 34 N SER A 22 19.425 9.573 -1.692 1.00 0.35 N ATOM 35 CA SER A 22 18.352 8.886 -2.463 1.00 0.32 C ATOM 36 C SER A 22 17.364 8.251 -1.485 1.00 0.31 C ATOM 37 O SER A 22 16.162 8.344 -1.647 1.00 0.30 O ATOM 38 CB SER A 22 18.972 7.797 -3.340 1.00 0.41 C ATOM 39 OG SER A 22 17.965 7.232 -4.168 1.00 1.11 O ATOM 0 H SER A 22 20.375 9.267 -1.902 1.00 0.35 H new ATOM 0 HA SER A 22 17.833 9.607 -3.095 1.00 0.32 H new ATOM 0 HB2 SER A 22 19.769 8.217 -3.953 1.00 0.41 H new ATOM 0 HB3 SER A 22 19.422 7.025 -2.717 1.00 0.41 H new ATOM 0 HG SER A 22 18.383 6.784 -4.933 1.00 1.11 H new ATOM 45 N SER A 23 17.862 7.613 -0.462 1.00 0.31 N ATOM 46 CA SER A 23 16.956 6.979 0.535 1.00 0.30 C ATOM 47 C SER A 23 16.108 8.066 1.199 1.00 0.30 C ATOM 48 O SER A 23 14.951 7.861 1.512 1.00 0.22 O ATOM 49 CB SER A 23 17.789 6.257 1.593 1.00 0.34 C ATOM 50 OG SER A 23 17.695 4.854 1.387 1.00 0.85 O ATOM 0 H SER A 23 18.858 7.504 -0.274 1.00 0.31 H new ATOM 0 HA SER A 23 16.305 6.259 0.039 1.00 0.30 H new ATOM 0 HB2 SER A 23 18.830 6.576 1.533 1.00 0.34 H new ATOM 0 HB3 SER A 23 17.433 6.514 2.591 1.00 0.34 H new ATOM 0 HG SER A 23 18.230 4.388 2.063 1.00 0.85 H new ATOM 56 N GLU A 24 16.674 9.224 1.411 1.00 0.44 N ATOM 57 CA GLU A 24 15.901 10.326 2.050 1.00 0.50 C ATOM 58 C GLU A 24 14.699 10.674 1.173 1.00 0.43 C ATOM 59 O GLU A 24 13.644 11.022 1.661 1.00 0.41 O ATOM 60 CB GLU A 24 16.795 11.557 2.199 1.00 0.68 C ATOM 61 CG GLU A 24 17.531 11.494 3.537 1.00 0.70 C ATOM 62 CD GLU A 24 16.582 11.915 4.661 1.00 0.32 C ATOM 63 OE1 GLU A 24 16.231 13.081 4.707 1.00 1.12 O ATOM 64 OE2 GLU A 24 16.223 11.062 5.456 1.00 1.10 O ATOM 0 H GLU A 24 17.638 9.454 1.169 1.00 0.44 H new ATOM 0 HA GLU A 24 15.557 10.007 3.034 1.00 0.50 H new ATOM 0 HB2 GLU A 24 17.512 11.600 1.379 1.00 0.68 H new ATOM 0 HB3 GLU A 24 16.194 12.465 2.145 1.00 0.68 H new ATOM 0 HG2 GLU A 24 17.897 10.483 3.715 1.00 0.70 H new ATOM 0 HG3 GLU A 24 18.401 12.150 3.517 1.00 0.70 H new ATOM 71 N ARG A 25 14.847 10.575 -0.120 1.00 0.44 N ATOM 72 CA ARG A 25 13.703 10.891 -1.019 1.00 0.47 C ATOM 73 C ARG A 25 12.689 9.750 -0.940 1.00 0.36 C ATOM 74 O ARG A 25 11.502 9.948 -1.098 1.00 0.42 O ATOM 75 CB ARG A 25 14.202 11.040 -2.460 1.00 0.57 C ATOM 76 CG ARG A 25 13.762 12.396 -3.018 1.00 1.28 C ATOM 77 CD ARG A 25 12.801 12.187 -4.191 1.00 2.66 C ATOM 78 NE ARG A 25 13.336 12.875 -5.399 1.00 2.64 N ATOM 79 CZ ARG A 25 12.521 13.469 -6.228 1.00 3.60 C ATOM 80 NH1 ARG A 25 11.461 12.842 -6.661 1.00 4.77 N ATOM 81 NH2 ARG A 25 12.764 14.689 -6.622 1.00 3.60 N ATOM 0 H ARG A 25 15.706 10.290 -0.590 1.00 0.44 H new ATOM 0 HA ARG A 25 13.236 11.826 -0.710 1.00 0.47 H new ATOM 0 HB2 ARG A 25 15.289 10.958 -2.490 1.00 0.57 H new ATOM 0 HB3 ARG A 25 13.805 10.235 -3.078 1.00 0.57 H new ATOM 0 HG2 ARG A 25 13.275 12.980 -2.237 1.00 1.28 H new ATOM 0 HG3 ARG A 25 14.632 12.964 -3.346 1.00 1.28 H new ATOM 0 HD2 ARG A 25 12.679 11.122 -4.390 1.00 2.66 H new ATOM 0 HD3 ARG A 25 11.815 12.580 -3.942 1.00 2.66 H new ATOM 0 HE ARG A 25 14.340 12.882 -5.579 1.00 2.64 H new ATOM 0 HH11 ARG A 25 11.270 11.889 -6.352 1.00 4.77 H new ATOM 0 HH12 ARG A 25 10.824 13.305 -7.309 1.00 4.77 H new ATOM 0 HH21 ARG A 25 13.591 15.179 -6.282 1.00 3.60 H new ATOM 0 HH22 ARG A 25 12.127 15.152 -7.270 1.00 3.60 H new ATOM 95 N ILE A 26 13.152 8.557 -0.680 1.00 0.25 N ATOM 96 CA ILE A 26 12.219 7.399 -0.569 1.00 0.28 C ATOM 97 C ILE A 26 11.243 7.668 0.582 1.00 0.20 C ATOM 98 O ILE A 26 10.041 7.666 0.407 1.00 0.16 O ATOM 99 CB ILE A 26 13.032 6.124 -0.287 1.00 0.35 C ATOM 100 CG1 ILE A 26 13.852 5.759 -1.530 1.00 0.68 C ATOM 101 CG2 ILE A 26 12.099 4.956 0.064 1.00 0.32 C ATOM 102 CD1 ILE A 26 12.914 5.427 -2.697 1.00 0.51 C ATOM 0 H ILE A 26 14.137 8.334 -0.540 1.00 0.25 H new ATOM 0 HA ILE A 26 11.661 7.266 -1.496 1.00 0.28 H new ATOM 0 HB ILE A 26 13.695 6.311 0.557 1.00 0.35 H new ATOM 0 HG12 ILE A 26 14.505 6.588 -1.802 1.00 0.68 H new ATOM 0 HG13 ILE A 26 14.494 4.905 -1.314 1.00 0.68 H new ATOM 0 HG21 ILE A 26 12.692 4.063 0.260 1.00 0.32 H new ATOM 0 HG22 ILE A 26 11.518 5.208 0.951 1.00 0.32 H new ATOM 0 HG23 ILE A 26 11.423 4.767 -0.770 1.00 0.32 H new ATOM 0 HD11 ILE A 26 13.504 5.169 -3.576 1.00 0.51 H new ATOM 0 HD12 ILE A 26 12.280 4.583 -2.425 1.00 0.51 H new ATOM 0 HD13 ILE A 26 12.290 6.293 -2.920 1.00 0.51 H new ATOM 114 N ASP A 27 11.758 7.902 1.756 1.00 0.27 N ATOM 115 CA ASP A 27 10.873 8.174 2.923 1.00 0.19 C ATOM 116 C ASP A 27 10.013 9.412 2.642 1.00 0.20 C ATOM 117 O ASP A 27 8.803 9.378 2.752 1.00 0.30 O ATOM 118 CB ASP A 27 11.743 8.421 4.161 1.00 0.24 C ATOM 119 CG ASP A 27 10.856 8.792 5.353 1.00 0.26 C ATOM 120 OD1 ASP A 27 10.388 7.885 6.021 1.00 1.52 O ATOM 121 OD2 ASP A 27 10.662 9.975 5.576 1.00 1.23 O ATOM 0 H ASP A 27 12.758 7.917 1.959 1.00 0.27 H new ATOM 0 HA ASP A 27 10.219 7.319 3.096 1.00 0.19 H new ATOM 0 HB2 ASP A 27 12.324 7.528 4.392 1.00 0.24 H new ATOM 0 HB3 ASP A 27 12.455 9.222 3.962 1.00 0.24 H new ATOM 126 N LYS A 28 10.631 10.507 2.295 1.00 0.26 N ATOM 127 CA LYS A 28 9.866 11.752 2.023 1.00 0.36 C ATOM 128 C LYS A 28 8.822 11.512 0.935 1.00 0.35 C ATOM 129 O LYS A 28 7.860 12.244 0.817 1.00 0.55 O ATOM 130 CB LYS A 28 10.836 12.846 1.560 1.00 0.48 C ATOM 131 CG LYS A 28 10.089 14.176 1.435 1.00 0.48 C ATOM 132 CD LYS A 28 9.378 14.477 2.752 1.00 1.70 C ATOM 133 CE LYS A 28 9.417 15.981 3.030 1.00 2.10 C ATOM 134 NZ LYS A 28 8.046 16.548 2.894 1.00 2.67 N ATOM 0 H LYS A 28 11.642 10.591 2.188 1.00 0.26 H new ATOM 0 HA LYS A 28 9.357 12.061 2.936 1.00 0.36 H new ATOM 0 HB2 LYS A 28 11.656 12.944 2.271 1.00 0.48 H new ATOM 0 HB3 LYS A 28 11.277 12.573 0.601 1.00 0.48 H new ATOM 0 HG2 LYS A 28 10.787 14.978 1.193 1.00 0.48 H new ATOM 0 HG3 LYS A 28 9.366 14.126 0.621 1.00 0.48 H new ATOM 0 HD2 LYS A 28 8.345 14.133 2.705 1.00 1.70 H new ATOM 0 HD3 LYS A 28 9.857 13.935 3.567 1.00 1.70 H new ATOM 0 HE2 LYS A 28 9.801 16.166 4.033 1.00 2.10 H new ATOM 0 HE3 LYS A 28 10.096 16.473 2.333 1.00 2.10 H new ATOM 0 HZ1 LYS A 28 8.070 17.567 3.100 1.00 2.67 H new ATOM 0 HZ2 LYS A 28 7.703 16.398 1.924 1.00 2.67 H new ATOM 0 HZ3 LYS A 28 7.407 16.075 3.564 1.00 2.67 H new ATOM 148 N GLN A 29 9.002 10.504 0.136 1.00 0.21 N ATOM 149 CA GLN A 29 8.014 10.240 -0.945 1.00 0.18 C ATOM 150 C GLN A 29 6.821 9.469 -0.374 1.00 0.16 C ATOM 151 O GLN A 29 5.693 9.653 -0.798 1.00 0.19 O ATOM 152 CB GLN A 29 8.674 9.427 -2.057 1.00 0.11 C ATOM 153 CG GLN A 29 7.821 9.513 -3.326 1.00 1.23 C ATOM 154 CD GLN A 29 7.747 10.969 -3.794 1.00 1.16 C ATOM 155 OE1 GLN A 29 8.659 11.461 -4.427 1.00 0.80 O ATOM 156 NE2 GLN A 29 6.690 11.679 -3.509 1.00 2.57 N ATOM 0 H GLN A 29 9.786 9.853 0.182 1.00 0.21 H new ATOM 0 HA GLN A 29 7.664 11.188 -1.355 1.00 0.18 H new ATOM 0 HB2 GLN A 29 9.677 9.806 -2.253 1.00 0.11 H new ATOM 0 HB3 GLN A 29 8.781 8.387 -1.748 1.00 0.11 H new ATOM 0 HG2 GLN A 29 8.252 8.890 -4.109 1.00 1.23 H new ATOM 0 HG3 GLN A 29 6.819 9.132 -3.130 1.00 1.23 H new ATOM 0 HE21 GLN A 29 5.925 11.264 -2.977 1.00 2.57 H new ATOM 0 HE22 GLN A 29 6.629 12.649 -3.818 1.00 2.57 H new ATOM 165 N ILE A 30 7.043 8.619 0.595 1.00 0.14 N ATOM 166 CA ILE A 30 5.890 7.878 1.170 1.00 0.17 C ATOM 167 C ILE A 30 5.079 8.840 2.025 1.00 0.23 C ATOM 168 O ILE A 30 3.901 8.656 2.219 1.00 0.32 O ATOM 169 CB ILE A 30 6.349 6.690 2.017 1.00 0.11 C ATOM 170 CG1 ILE A 30 7.104 5.694 1.128 1.00 0.35 C ATOM 171 CG2 ILE A 30 5.118 6.014 2.625 1.00 0.26 C ATOM 172 CD1 ILE A 30 7.468 4.445 1.935 1.00 0.83 C ATOM 0 H ILE A 30 7.954 8.411 1.004 1.00 0.14 H new ATOM 0 HA ILE A 30 5.284 7.482 0.355 1.00 0.17 H new ATOM 0 HB ILE A 30 7.011 7.030 2.813 1.00 0.11 H new ATOM 0 HG12 ILE A 30 6.488 5.418 0.272 1.00 0.35 H new ATOM 0 HG13 ILE A 30 8.008 6.158 0.733 1.00 0.35 H new ATOM 0 HG21 ILE A 30 5.432 5.165 3.232 1.00 0.26 H new ATOM 0 HG22 ILE A 30 4.582 6.728 3.250 1.00 0.26 H new ATOM 0 HG23 ILE A 30 4.462 5.667 1.827 1.00 0.26 H new ATOM 0 HD11 ILE A 30 8.004 3.743 1.297 1.00 0.83 H new ATOM 0 HD12 ILE A 30 8.102 4.727 2.776 1.00 0.83 H new ATOM 0 HD13 ILE A 30 6.558 3.975 2.308 1.00 0.83 H new ATOM 184 N ARG A 31 5.687 9.887 2.519 1.00 0.25 N ATOM 185 CA ARG A 31 4.919 10.866 3.328 1.00 0.29 C ATOM 186 C ARG A 31 3.781 11.391 2.452 1.00 0.23 C ATOM 187 O ARG A 31 2.692 11.681 2.914 1.00 0.21 O ATOM 188 CB ARG A 31 5.838 12.015 3.740 1.00 0.33 C ATOM 189 CG ARG A 31 5.051 13.025 4.569 1.00 0.60 C ATOM 190 CD ARG A 31 5.880 13.444 5.783 1.00 0.92 C ATOM 191 NE ARG A 31 5.619 14.877 6.097 1.00 1.00 N ATOM 192 CZ ARG A 31 6.571 15.618 6.596 1.00 1.70 C ATOM 193 NH1 ARG A 31 7.157 15.265 7.707 1.00 2.17 N ATOM 194 NH2 ARG A 31 6.936 16.711 5.984 1.00 2.56 N ATOM 0 H ARG A 31 6.676 10.102 2.396 1.00 0.25 H new ATOM 0 HA ARG A 31 4.520 10.402 4.230 1.00 0.29 H new ATOM 0 HB2 ARG A 31 6.680 11.632 4.317 1.00 0.33 H new ATOM 0 HB3 ARG A 31 6.252 12.499 2.855 1.00 0.33 H new ATOM 0 HG2 ARG A 31 4.807 13.898 3.963 1.00 0.60 H new ATOM 0 HG3 ARG A 31 4.107 12.588 4.893 1.00 0.60 H new ATOM 0 HD2 ARG A 31 5.627 12.821 6.641 1.00 0.92 H new ATOM 0 HD3 ARG A 31 6.940 13.293 5.581 1.00 0.92 H new ATOM 0 HE ARG A 31 4.698 15.278 5.922 1.00 1.00 H new ATOM 0 HH11 ARG A 31 6.871 14.411 8.185 1.00 2.17 H new ATOM 0 HH12 ARG A 31 7.901 15.843 8.097 1.00 2.17 H new ATOM 0 HH21 ARG A 31 6.478 16.987 5.116 1.00 2.56 H new ATOM 0 HH22 ARG A 31 7.680 17.290 6.374 1.00 2.56 H new ATOM 208 N TYR A 32 4.031 11.475 1.172 1.00 0.23 N ATOM 209 CA TYR A 32 2.989 11.936 0.222 1.00 0.19 C ATOM 210 C TYR A 32 1.999 10.793 0.023 1.00 0.20 C ATOM 211 O TYR A 32 0.810 10.998 -0.110 1.00 0.20 O ATOM 212 CB TYR A 32 3.650 12.271 -1.121 1.00 0.18 C ATOM 213 CG TYR A 32 3.320 13.683 -1.541 1.00 0.43 C ATOM 214 CD1 TYR A 32 3.306 14.718 -0.599 1.00 1.68 C ATOM 215 CD2 TYR A 32 3.039 13.958 -2.886 1.00 0.66 C ATOM 216 CE1 TYR A 32 3.009 16.026 -1.000 1.00 1.97 C ATOM 217 CE2 TYR A 32 2.745 15.264 -3.288 1.00 0.46 C ATOM 218 CZ TYR A 32 2.728 16.299 -2.345 1.00 0.99 C ATOM 219 OH TYR A 32 2.439 17.589 -2.742 1.00 1.28 O ATOM 0 H TYR A 32 4.926 11.240 0.744 1.00 0.23 H new ATOM 0 HA TYR A 32 2.480 12.820 0.606 1.00 0.19 H new ATOM 0 HB2 TYR A 32 4.731 12.154 -1.039 1.00 0.18 H new ATOM 0 HB3 TYR A 32 3.310 11.571 -1.884 1.00 0.18 H new ATOM 0 HD1 TYR A 32 3.524 14.508 0.438 1.00 1.68 H new ATOM 0 HD2 TYR A 32 3.050 13.160 -3.613 1.00 0.66 H new ATOM 0 HE1 TYR A 32 2.997 16.824 -0.273 1.00 1.97 H new ATOM 0 HE2 TYR A 32 2.531 15.475 -4.325 1.00 0.46 H new ATOM 0 HH TYR A 32 2.269 17.604 -3.707 1.00 1.28 H new ATOM 229 N ILE A 33 2.492 9.581 -0.002 1.00 0.23 N ATOM 230 CA ILE A 33 1.594 8.409 -0.196 1.00 0.25 C ATOM 231 C ILE A 33 0.514 8.384 0.892 1.00 0.29 C ATOM 232 O ILE A 33 -0.650 8.185 0.613 1.00 0.32 O ATOM 233 CB ILE A 33 2.413 7.121 -0.134 1.00 0.25 C ATOM 234 CG1 ILE A 33 3.467 7.141 -1.242 1.00 0.22 C ATOM 235 CG2 ILE A 33 1.486 5.921 -0.338 1.00 0.28 C ATOM 236 CD1 ILE A 33 4.317 5.872 -1.165 1.00 0.29 C ATOM 0 H ILE A 33 3.481 9.355 0.104 1.00 0.23 H new ATOM 0 HA ILE A 33 1.113 8.489 -1.171 1.00 0.25 H new ATOM 0 HB ILE A 33 2.902 7.043 0.837 1.00 0.25 H new ATOM 0 HG12 ILE A 33 2.983 7.208 -2.217 1.00 0.22 H new ATOM 0 HG13 ILE A 33 4.101 8.022 -1.139 1.00 0.22 H new ATOM 0 HG21 ILE A 33 2.068 5.000 -0.294 1.00 0.28 H new ATOM 0 HG22 ILE A 33 0.728 5.909 0.446 1.00 0.28 H new ATOM 0 HG23 ILE A 33 1.000 5.998 -1.311 1.00 0.28 H new ATOM 0 HD11 ILE A 33 5.067 5.888 -1.955 1.00 0.29 H new ATOM 0 HD12 ILE A 33 4.812 5.824 -0.195 1.00 0.29 H new ATOM 0 HD13 ILE A 33 3.678 4.998 -1.289 1.00 0.29 H new ATOM 248 N LEU A 34 0.889 8.581 2.127 1.00 0.30 N ATOM 249 CA LEU A 34 -0.112 8.564 3.231 1.00 0.35 C ATOM 250 C LEU A 34 -1.059 9.754 3.072 1.00 0.33 C ATOM 251 O LEU A 34 -2.261 9.618 3.176 1.00 0.35 O ATOM 252 CB LEU A 34 0.615 8.668 4.576 1.00 0.36 C ATOM 253 CG LEU A 34 0.336 7.419 5.416 1.00 0.50 C ATOM 254 CD1 LEU A 34 1.193 6.258 4.908 1.00 0.57 C ATOM 255 CD2 LEU A 34 0.686 7.704 6.879 1.00 0.63 C ATOM 0 H LEU A 34 1.851 8.754 2.420 1.00 0.30 H new ATOM 0 HA LEU A 34 -0.682 7.636 3.195 1.00 0.35 H new ATOM 0 HB2 LEU A 34 1.687 8.775 4.412 1.00 0.36 H new ATOM 0 HB3 LEU A 34 0.284 9.558 5.111 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.718 7.155 5.335 1.00 0.50 H new ATOM 0 HD11 LEU A 34 0.994 5.369 5.507 1.00 0.57 H new ATOM 0 HD12 LEU A 34 0.949 6.055 3.865 1.00 0.57 H new ATOM 0 HD13 LEU A 34 2.248 6.521 4.990 1.00 0.57 H new ATOM 0 HD21 LEU A 34 0.488 6.816 7.480 1.00 0.63 H new ATOM 0 HD22 LEU A 34 1.741 7.967 6.956 1.00 0.63 H new ATOM 0 HD23 LEU A 34 0.078 8.532 7.244 1.00 0.63 H new ATOM 267 N ASP A 35 -0.527 10.919 2.811 1.00 0.34 N ATOM 268 CA ASP A 35 -1.404 12.113 2.633 1.00 0.36 C ATOM 269 C ASP A 35 -2.439 11.802 1.557 1.00 0.32 C ATOM 270 O ASP A 35 -3.551 12.291 1.582 1.00 0.33 O ATOM 271 CB ASP A 35 -0.558 13.313 2.203 1.00 0.43 C ATOM 272 CG ASP A 35 -1.465 14.522 1.970 1.00 1.11 C ATOM 273 OD1 ASP A 35 -2.550 14.539 2.527 1.00 1.72 O ATOM 274 OD2 ASP A 35 -1.060 15.410 1.238 1.00 1.67 O ATOM 0 H ASP A 35 0.473 11.095 2.714 1.00 0.34 H new ATOM 0 HA ASP A 35 -1.904 12.351 3.572 1.00 0.36 H new ATOM 0 HB2 ASP A 35 0.182 13.543 2.970 1.00 0.43 H new ATOM 0 HB3 ASP A 35 -0.009 13.076 1.292 1.00 0.43 H new ATOM 279 N GLY A 36 -2.081 10.971 0.620 1.00 0.31 N ATOM 280 CA GLY A 36 -3.040 10.601 -0.451 1.00 0.31 C ATOM 281 C GLY A 36 -4.117 9.706 0.154 1.00 0.27 C ATOM 282 O GLY A 36 -5.293 9.913 -0.042 1.00 0.25 O ATOM 0 H GLY A 36 -1.163 10.532 0.551 1.00 0.31 H new ATOM 0 HA2 GLY A 36 -3.489 11.495 -0.883 1.00 0.31 H new ATOM 0 HA3 GLY A 36 -2.524 10.081 -1.258 1.00 0.31 H new ATOM 286 N ILE A 37 -3.711 8.710 0.893 1.00 0.27 N ATOM 287 CA ILE A 37 -4.690 7.781 1.524 1.00 0.23 C ATOM 288 C ILE A 37 -5.733 8.563 2.321 1.00 0.16 C ATOM 289 O ILE A 37 -6.841 8.100 2.518 1.00 0.16 O ATOM 290 CB ILE A 37 -3.960 6.826 2.468 1.00 0.26 C ATOM 291 CG1 ILE A 37 -2.869 6.073 1.704 1.00 0.38 C ATOM 292 CG2 ILE A 37 -4.959 5.822 3.042 1.00 0.21 C ATOM 293 CD1 ILE A 37 -3.482 5.354 0.501 1.00 0.36 C ATOM 0 H ILE A 37 -2.732 8.498 1.088 1.00 0.27 H new ATOM 0 HA ILE A 37 -5.188 7.218 0.735 1.00 0.23 H new ATOM 0 HB ILE A 37 -3.504 7.398 3.276 1.00 0.26 H new ATOM 0 HG12 ILE A 37 -2.099 6.769 1.370 1.00 0.38 H new ATOM 0 HG13 ILE A 37 -2.383 5.352 2.362 1.00 0.38 H new ATOM 0 HG21 ILE A 37 -4.442 5.139 3.716 1.00 0.21 H new ATOM 0 HG22 ILE A 37 -5.736 6.355 3.591 1.00 0.21 H new ATOM 0 HG23 ILE A 37 -5.413 5.255 2.229 1.00 0.21 H new ATOM 0 HD11 ILE A 37 -2.701 4.819 -0.040 1.00 0.36 H new ATOM 0 HD12 ILE A 37 -4.235 4.645 0.846 1.00 0.36 H new ATOM 0 HD13 ILE A 37 -3.947 6.084 -0.161 1.00 0.36 H new ATOM 305 N SER A 38 -5.409 9.744 2.773 1.00 0.17 N ATOM 306 CA SER A 38 -6.412 10.527 3.535 1.00 0.18 C ATOM 307 C SER A 38 -7.542 10.848 2.575 1.00 0.23 C ATOM 308 O SER A 38 -8.709 10.668 2.869 1.00 0.33 O ATOM 309 CB SER A 38 -5.786 11.822 4.054 1.00 0.20 C ATOM 310 OG SER A 38 -5.228 11.592 5.341 1.00 0.79 O ATOM 0 H SER A 38 -4.502 10.193 2.648 1.00 0.17 H new ATOM 0 HA SER A 38 -6.775 9.962 4.394 1.00 0.18 H new ATOM 0 HB2 SER A 38 -5.014 12.167 3.367 1.00 0.20 H new ATOM 0 HB3 SER A 38 -6.540 12.608 4.107 1.00 0.20 H new ATOM 0 HG SER A 38 -4.824 12.420 5.675 1.00 0.79 H new ATOM 316 N ALA A 39 -7.190 11.293 1.404 1.00 0.21 N ATOM 317 CA ALA A 39 -8.220 11.604 0.396 1.00 0.31 C ATOM 318 C ALA A 39 -8.774 10.293 -0.164 1.00 0.35 C ATOM 319 O ALA A 39 -9.822 10.265 -0.778 1.00 0.42 O ATOM 320 CB ALA A 39 -7.607 12.438 -0.730 1.00 0.38 C ATOM 0 H ALA A 39 -6.228 11.453 1.106 1.00 0.21 H new ATOM 0 HA ALA A 39 -9.027 12.176 0.854 1.00 0.31 H new ATOM 0 HB1 ALA A 39 -8.372 12.665 -1.472 1.00 0.38 H new ATOM 0 HB2 ALA A 39 -7.211 13.367 -0.320 1.00 0.38 H new ATOM 0 HB3 ALA A 39 -6.800 11.876 -1.201 1.00 0.38 H new ATOM 326 N LEU A 40 -8.085 9.198 0.051 1.00 0.31 N ATOM 327 CA LEU A 40 -8.590 7.900 -0.463 1.00 0.34 C ATOM 328 C LEU A 40 -9.291 7.132 0.661 1.00 0.30 C ATOM 329 O LEU A 40 -9.763 6.032 0.459 1.00 0.42 O ATOM 330 CB LEU A 40 -7.434 7.042 -1.003 1.00 0.36 C ATOM 331 CG LEU A 40 -6.602 7.820 -2.032 1.00 0.42 C ATOM 332 CD1 LEU A 40 -5.684 6.849 -2.774 1.00 0.62 C ATOM 333 CD2 LEU A 40 -7.517 8.508 -3.047 1.00 0.23 C ATOM 0 H LEU A 40 -7.201 9.153 0.558 1.00 0.31 H new ATOM 0 HA LEU A 40 -9.293 8.105 -1.271 1.00 0.34 H new ATOM 0 HB2 LEU A 40 -6.795 6.726 -0.178 1.00 0.36 H new ATOM 0 HB3 LEU A 40 -7.832 6.137 -1.462 1.00 0.36 H new ATOM 0 HG LEU A 40 -6.014 8.575 -1.510 1.00 0.42 H new ATOM 0 HD11 LEU A 40 -5.091 7.397 -3.506 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -5.020 6.360 -2.062 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -6.286 6.097 -3.284 1.00 0.62 H new ATOM 0 HD21 LEU A 40 -6.912 9.055 -3.770 1.00 0.23 H new ATOM 0 HD22 LEU A 40 -8.113 7.758 -3.567 1.00 0.23 H new ATOM 0 HD23 LEU A 40 -8.179 9.202 -2.529 1.00 0.23 H new ATOM 345 N ARG A 41 -9.366 7.689 1.842 1.00 0.18 N ATOM 346 CA ARG A 41 -10.043 6.964 2.952 1.00 0.16 C ATOM 347 C ARG A 41 -10.995 7.903 3.697 1.00 0.18 C ATOM 348 O ARG A 41 -11.581 7.530 4.691 1.00 0.12 O ATOM 349 CB ARG A 41 -9.005 6.417 3.930 1.00 0.12 C ATOM 350 CG ARG A 41 -9.642 5.299 4.755 1.00 0.18 C ATOM 351 CD ARG A 41 -8.887 5.140 6.076 1.00 0.54 C ATOM 352 NE ARG A 41 -9.847 5.257 7.211 1.00 1.12 N ATOM 353 CZ ARG A 41 -10.185 4.197 7.894 1.00 1.73 C ATOM 354 NH1 ARG A 41 -10.344 3.053 7.286 1.00 2.67 N ATOM 355 NH2 ARG A 41 -10.364 4.282 9.184 1.00 2.03 N ATOM 0 H ARG A 41 -8.991 8.606 2.082 1.00 0.18 H new ATOM 0 HA ARG A 41 -10.613 6.138 2.528 1.00 0.16 H new ATOM 0 HB2 ARG A 41 -8.139 6.038 3.387 1.00 0.12 H new ATOM 0 HB3 ARG A 41 -8.648 7.212 4.585 1.00 0.12 H new ATOM 0 HG2 ARG A 41 -10.690 5.529 4.949 1.00 0.18 H new ATOM 0 HG3 ARG A 41 -9.619 4.363 4.197 1.00 0.18 H new ATOM 0 HD2 ARG A 41 -8.386 4.173 6.107 1.00 0.54 H new ATOM 0 HD3 ARG A 41 -8.113 5.903 6.160 1.00 0.54 H new ATOM 0 HE ARG A 41 -10.240 6.166 7.454 1.00 1.12 H new ATOM 0 HH11 ARG A 41 -10.204 2.988 6.278 1.00 2.67 H new ATOM 0 HH12 ARG A 41 -10.608 2.224 7.819 1.00 2.67 H new ATOM 0 HH21 ARG A 41 -10.240 5.176 9.658 1.00 2.03 H new ATOM 0 HH22 ARG A 41 -10.628 3.454 9.718 1.00 2.03 H new ATOM 369 N LYS A 42 -11.167 9.111 3.232 1.00 0.29 N ATOM 370 CA LYS A 42 -12.097 10.043 3.925 1.00 0.34 C ATOM 371 C LYS A 42 -13.512 9.803 3.402 1.00 0.36 C ATOM 372 O LYS A 42 -14.464 9.698 4.157 1.00 0.39 O ATOM 373 CB LYS A 42 -11.685 11.485 3.623 1.00 0.41 C ATOM 374 CG LYS A 42 -11.833 12.341 4.882 1.00 0.24 C ATOM 375 CD LYS A 42 -11.178 13.705 4.648 1.00 0.76 C ATOM 376 CE LYS A 42 -12.102 14.810 5.164 1.00 0.95 C ATOM 377 NZ LYS A 42 -11.768 16.095 4.486 1.00 1.95 N ATOM 0 H LYS A 42 -10.705 9.490 2.405 1.00 0.29 H new ATOM 0 HA LYS A 42 -12.063 9.873 5.001 1.00 0.34 H new ATOM 0 HB2 LYS A 42 -10.653 11.512 3.273 1.00 0.41 H new ATOM 0 HB3 LYS A 42 -12.304 11.890 2.822 1.00 0.41 H new ATOM 0 HG2 LYS A 42 -12.887 12.469 5.127 1.00 0.24 H new ATOM 0 HG3 LYS A 42 -11.367 11.842 5.732 1.00 0.24 H new ATOM 0 HD2 LYS A 42 -10.217 13.751 5.160 1.00 0.76 H new ATOM 0 HD3 LYS A 42 -10.980 13.848 3.586 1.00 0.76 H new ATOM 0 HE2 LYS A 42 -13.143 14.546 4.975 1.00 0.95 H new ATOM 0 HE3 LYS A 42 -11.992 14.917 6.243 1.00 0.95 H new ATOM 0 HZ1 LYS A 42 -12.396 16.846 4.837 1.00 1.95 H new ATOM 0 HZ2 LYS A 42 -10.780 16.348 4.688 1.00 1.95 H new ATOM 0 HZ3 LYS A 42 -11.895 15.989 3.459 1.00 1.95 H new ATOM 391 N GLU A 43 -13.652 9.708 2.108 1.00 0.35 N ATOM 392 CA GLU A 43 -14.990 9.477 1.514 1.00 0.38 C ATOM 393 C GLU A 43 -15.328 7.994 1.593 1.00 0.37 C ATOM 394 O GLU A 43 -16.444 7.618 1.917 1.00 0.48 O ATOM 395 CB GLU A 43 -14.974 9.918 0.048 1.00 0.39 C ATOM 396 CG GLU A 43 -15.913 11.113 -0.136 1.00 0.35 C ATOM 397 CD GLU A 43 -15.922 11.543 -1.606 1.00 0.99 C ATOM 398 OE1 GLU A 43 -15.314 10.854 -2.413 1.00 1.53 O ATOM 399 OE2 GLU A 43 -16.534 12.555 -1.902 1.00 1.44 O ATOM 0 H GLU A 43 -12.888 9.782 1.436 1.00 0.35 H new ATOM 0 HA GLU A 43 -15.739 10.051 2.061 1.00 0.38 H new ATOM 0 HB2 GLU A 43 -13.961 10.189 -0.250 1.00 0.39 H new ATOM 0 HB3 GLU A 43 -15.286 9.094 -0.594 1.00 0.39 H new ATOM 0 HG2 GLU A 43 -16.921 10.847 0.181 1.00 0.35 H new ATOM 0 HG3 GLU A 43 -15.589 11.942 0.493 1.00 0.35 H new ATOM 406 N THR A 44 -14.369 7.148 1.303 1.00 0.25 N ATOM 407 CA THR A 44 -14.621 5.681 1.356 1.00 0.25 C ATOM 408 C THR A 44 -14.398 5.155 2.779 1.00 0.17 C ATOM 409 O THR A 44 -13.786 4.127 2.989 1.00 0.26 O ATOM 410 CB THR A 44 -13.688 4.959 0.379 1.00 0.27 C ATOM 411 OG1 THR A 44 -14.033 3.582 0.330 1.00 0.44 O ATOM 412 CG2 THR A 44 -12.236 5.106 0.839 1.00 0.31 C ATOM 0 H THR A 44 -13.422 7.415 1.032 1.00 0.25 H new ATOM 0 HA THR A 44 -15.656 5.490 1.071 1.00 0.25 H new ATOM 0 HB THR A 44 -13.794 5.400 -0.612 1.00 0.27 H new ATOM 0 HG1 THR A 44 -14.145 3.240 1.242 1.00 0.44 H new ATOM 0 HG21 THR A 44 -11.579 4.590 0.139 1.00 0.31 H new ATOM 0 HG22 THR A 44 -11.971 6.163 0.874 1.00 0.31 H new ATOM 0 HG23 THR A 44 -12.123 4.670 1.832 1.00 0.31 H new ATOM 420 N CYS A 45 -14.911 5.853 3.748 1.00 0.26 N ATOM 421 CA CYS A 45 -14.777 5.430 5.163 1.00 0.27 C ATOM 422 C CYS A 45 -15.955 6.040 5.906 1.00 0.57 C ATOM 423 O CYS A 45 -16.661 5.376 6.636 1.00 0.69 O ATOM 424 CB CYS A 45 -13.466 5.960 5.746 1.00 0.47 C ATOM 425 SG CYS A 45 -13.338 5.519 7.500 1.00 1.47 S ATOM 0 H CYS A 45 -15.430 6.721 3.614 1.00 0.26 H new ATOM 0 HA CYS A 45 -14.769 4.344 5.252 1.00 0.27 H new ATOM 0 HB2 CYS A 45 -12.621 5.545 5.196 1.00 0.47 H new ATOM 0 HB3 CYS A 45 -13.420 7.043 5.631 1.00 0.47 H new ATOM 0 HG CYS A 45 -12.219 5.974 7.981 1.00 1.47 H new ATOM 430 N ASN A 46 -16.189 7.306 5.692 1.00 0.69 N ATOM 431 CA ASN A 46 -17.338 7.966 6.355 1.00 0.97 C ATOM 432 C ASN A 46 -18.623 7.568 5.624 1.00 1.05 C ATOM 433 O ASN A 46 -19.560 7.079 6.224 1.00 1.26 O ATOM 434 CB ASN A 46 -17.162 9.485 6.293 1.00 1.03 C ATOM 435 CG ASN A 46 -16.666 9.999 7.646 1.00 0.46 C ATOM 436 OD1 ASN A 46 -15.811 9.394 8.263 1.00 1.23 O ATOM 437 ND2 ASN A 46 -17.171 11.097 8.140 1.00 0.96 N ATOM 0 H ASN A 46 -15.632 7.908 5.086 1.00 0.69 H new ATOM 0 HA ASN A 46 -17.393 7.656 7.398 1.00 0.97 H new ATOM 0 HB2 ASN A 46 -16.451 9.747 5.510 1.00 1.03 H new ATOM 0 HB3 ASN A 46 -18.108 9.961 6.036 1.00 1.03 H new ATOM 0 HD21 ASN A 46 -16.848 11.446 9.042 1.00 0.96 H new ATOM 0 HD22 ASN A 46 -17.888 11.606 7.624 1.00 0.96 H new ATOM 444 N LYS A 47 -18.680 7.767 4.330 1.00 0.92 N ATOM 445 CA LYS A 47 -19.912 7.390 3.580 1.00 1.08 C ATOM 446 C LYS A 47 -19.783 5.969 3.019 1.00 1.12 C ATOM 447 O LYS A 47 -20.612 5.524 2.249 1.00 1.27 O ATOM 448 CB LYS A 47 -20.131 8.377 2.431 1.00 1.00 C ATOM 449 CG LYS A 47 -21.608 8.370 2.025 1.00 2.14 C ATOM 450 CD LYS A 47 -21.742 8.835 0.573 1.00 2.89 C ATOM 451 CE LYS A 47 -22.616 7.846 -0.200 1.00 4.20 C ATOM 452 NZ LYS A 47 -23.548 8.594 -1.090 1.00 4.73 N ATOM 0 H LYS A 47 -17.932 8.171 3.767 1.00 0.92 H new ATOM 0 HA LYS A 47 -20.763 7.422 4.260 1.00 1.08 H new ATOM 0 HB2 LYS A 47 -19.832 9.380 2.737 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -19.508 8.104 1.579 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -22.022 7.368 2.136 1.00 2.14 H new ATOM 0 HG3 LYS A 47 -22.180 9.026 2.682 1.00 2.14 H new ATOM 0 HD2 LYS A 47 -22.183 9.831 0.538 1.00 2.89 H new ATOM 0 HD3 LYS A 47 -20.758 8.906 0.110 1.00 2.89 H new ATOM 0 HE2 LYS A 47 -21.991 7.177 -0.791 1.00 4.20 H new ATOM 0 HE3 LYS A 47 -23.181 7.224 0.494 1.00 4.20 H new ATOM 0 HZ1 LYS A 47 -24.142 7.921 -1.615 1.00 4.73 H new ATOM 0 HZ2 LYS A 47 -24.153 9.215 -0.516 1.00 4.73 H new ATOM 0 HZ3 LYS A 47 -23.000 9.169 -1.761 1.00 4.73 H new ATOM 466 N SER A 48 -18.752 5.251 3.379 1.00 1.03 N ATOM 467 CA SER A 48 -18.587 3.869 2.841 1.00 1.12 C ATOM 468 C SER A 48 -19.348 2.861 3.711 1.00 1.19 C ATOM 469 O SER A 48 -19.200 1.668 3.553 1.00 1.45 O ATOM 470 CB SER A 48 -17.103 3.508 2.829 1.00 0.90 C ATOM 471 OG SER A 48 -16.569 3.677 4.134 1.00 1.06 O ATOM 0 H SER A 48 -18.020 5.560 4.019 1.00 1.03 H new ATOM 0 HA SER A 48 -18.989 3.833 1.828 1.00 1.12 H new ATOM 0 HB2 SER A 48 -16.970 2.477 2.500 1.00 0.90 H new ATOM 0 HB3 SER A 48 -16.569 4.140 2.120 1.00 0.90 H new ATOM 0 HG SER A 48 -16.076 2.870 4.393 1.00 1.06 H new ATOM 477 N ASN A 49 -20.155 3.324 4.632 1.00 1.07 N ATOM 478 CA ASN A 49 -20.928 2.386 5.509 1.00 1.21 C ATOM 479 C ASN A 49 -20.036 1.240 6.016 1.00 0.98 C ATOM 480 O ASN A 49 -20.518 0.181 6.362 1.00 1.34 O ATOM 481 CB ASN A 49 -22.096 1.802 4.712 1.00 1.51 C ATOM 482 CG ASN A 49 -23.305 2.737 4.808 1.00 1.97 C ATOM 483 OD1 ASN A 49 -24.051 2.687 5.765 1.00 1.93 O ATOM 484 ND2 ASN A 49 -23.530 3.594 3.849 1.00 2.90 N ATOM 0 H ASN A 49 -20.314 4.315 4.817 1.00 1.07 H new ATOM 0 HA ASN A 49 -21.297 2.942 6.371 1.00 1.21 H new ATOM 0 HB2 ASN A 49 -21.808 1.671 3.669 1.00 1.51 H new ATOM 0 HB3 ASN A 49 -22.355 0.816 5.098 1.00 1.51 H new ATOM 0 HD21 ASN A 49 -24.332 4.221 3.904 1.00 2.90 H new ATOM 0 HD22 ASN A 49 -22.903 3.636 3.045 1.00 2.90 H new ATOM 491 N MET A 50 -18.744 1.438 6.056 1.00 0.54 N ATOM 492 CA MET A 50 -17.840 0.353 6.534 1.00 0.45 C ATOM 493 C MET A 50 -17.130 0.791 7.820 1.00 1.17 C ATOM 494 O MET A 50 -16.889 -0.007 8.705 1.00 2.33 O ATOM 495 CB MET A 50 -16.798 0.045 5.457 1.00 1.04 C ATOM 496 CG MET A 50 -17.029 -1.365 4.912 1.00 1.29 C ATOM 497 SD MET A 50 -18.517 -1.377 3.881 1.00 1.57 S ATOM 498 CE MET A 50 -18.847 -3.153 3.978 1.00 0.44 C ATOM 0 H MET A 50 -18.278 2.302 5.779 1.00 0.54 H new ATOM 0 HA MET A 50 -18.431 -0.540 6.738 1.00 0.45 H new ATOM 0 HB2 MET A 50 -16.867 0.774 4.650 1.00 1.04 H new ATOM 0 HB3 MET A 50 -15.794 0.125 5.874 1.00 1.04 H new ATOM 0 HG2 MET A 50 -16.167 -1.687 4.328 1.00 1.29 H new ATOM 0 HG3 MET A 50 -17.138 -2.071 5.735 1.00 1.29 H new ATOM 0 HE1 MET A 50 -19.741 -3.389 3.401 1.00 0.44 H new ATOM 0 HE2 MET A 50 -17.998 -3.704 3.573 1.00 0.44 H new ATOM 0 HE3 MET A 50 -19.001 -3.438 5.019 1.00 0.44 H new ATOM 660 N ASN A 62 -10.931 -8.359 5.264 1.00 0.98 N ATOM 661 CA ASN A 62 -9.443 -8.297 5.294 1.00 0.78 C ATOM 662 C ASN A 62 -8.889 -8.858 3.991 1.00 0.61 C ATOM 663 O ASN A 62 -8.868 -10.051 3.768 1.00 0.59 O ATOM 664 CB ASN A 62 -8.904 -9.103 6.480 1.00 0.66 C ATOM 665 CG ASN A 62 -8.476 -8.144 7.592 1.00 1.06 C ATOM 666 OD1 ASN A 62 -9.256 -7.327 8.039 1.00 1.48 O ATOM 667 ND2 ASN A 62 -7.260 -8.209 8.063 1.00 1.77 N ATOM 0 HA ASN A 62 -9.129 -7.259 5.407 1.00 0.78 H new ATOM 0 HB2 ASN A 62 -9.670 -9.786 6.848 1.00 0.66 H new ATOM 0 HB3 ASN A 62 -8.058 -9.713 6.165 1.00 0.66 H new ATOM 0 HD21 ASN A 62 -6.966 -7.574 8.805 1.00 1.77 H new ATOM 0 HD22 ASN A 62 -6.604 -8.895 7.689 1.00 1.77 H new ATOM 674 N LEU A 63 -8.446 -7.993 3.129 1.00 0.89 N ATOM 675 CA LEU A 63 -7.889 -8.438 1.828 1.00 0.80 C ATOM 676 C LEU A 63 -6.746 -9.426 2.060 1.00 0.65 C ATOM 677 O LEU A 63 -6.529 -9.899 3.159 1.00 0.77 O ATOM 678 CB LEU A 63 -7.368 -7.215 1.085 1.00 0.80 C ATOM 679 CG LEU A 63 -8.338 -6.848 -0.034 1.00 0.89 C ATOM 680 CD1 LEU A 63 -7.850 -5.579 -0.734 1.00 1.14 C ATOM 681 CD2 LEU A 63 -8.408 -7.996 -1.044 1.00 0.84 C ATOM 0 H LEU A 63 -8.446 -6.983 3.273 1.00 0.89 H new ATOM 0 HA LEU A 63 -8.663 -8.933 1.242 1.00 0.80 H new ATOM 0 HB2 LEU A 63 -7.257 -6.378 1.774 1.00 0.80 H new ATOM 0 HB3 LEU A 63 -6.381 -7.421 0.672 1.00 0.80 H new ATOM 0 HG LEU A 63 -9.329 -6.673 0.385 1.00 0.89 H new ATOM 0 HD11 LEU A 63 -8.542 -5.316 -1.534 1.00 1.14 H new ATOM 0 HD12 LEU A 63 -7.800 -4.762 -0.014 1.00 1.14 H new ATOM 0 HD13 LEU A 63 -6.859 -5.753 -1.154 1.00 1.14 H new ATOM 0 HD21 LEU A 63 -9.101 -7.735 -1.844 1.00 0.84 H new ATOM 0 HD22 LEU A 63 -7.418 -8.172 -1.464 1.00 0.84 H new ATOM 0 HD23 LEU A 63 -8.755 -8.900 -0.544 1.00 0.84 H new ATOM 693 N ASN A 64 -6.011 -9.742 1.031 1.00 0.41 N ATOM 694 CA ASN A 64 -4.883 -10.699 1.189 1.00 0.29 C ATOM 695 C ASN A 64 -3.574 -10.010 0.801 1.00 0.19 C ATOM 696 O ASN A 64 -2.926 -10.384 -0.156 1.00 0.37 O ATOM 697 CB ASN A 64 -5.108 -11.910 0.280 1.00 0.27 C ATOM 698 CG ASN A 64 -6.552 -12.396 0.418 1.00 1.68 C ATOM 699 OD1 ASN A 64 -6.991 -12.737 1.499 1.00 2.46 O ATOM 700 ND2 ASN A 64 -7.314 -12.446 -0.640 1.00 2.28 N ATOM 0 H ASN A 64 -6.143 -9.378 0.087 1.00 0.41 H new ATOM 0 HA ASN A 64 -4.829 -11.028 2.227 1.00 0.29 H new ATOM 0 HB2 ASN A 64 -4.901 -11.643 -0.756 1.00 0.27 H new ATOM 0 HB3 ASN A 64 -4.418 -12.710 0.546 1.00 0.27 H new ATOM 0 HD21 ASN A 64 -8.277 -12.771 -0.560 1.00 2.28 H new ATOM 0 HD22 ASN A 64 -6.946 -12.160 -1.547 1.00 2.28 H new ATOM 707 N LEU A 65 -3.181 -9.006 1.537 1.00 0.51 N ATOM 708 CA LEU A 65 -1.912 -8.296 1.205 1.00 0.62 C ATOM 709 C LEU A 65 -1.020 -8.180 2.455 1.00 0.70 C ATOM 710 O LEU A 65 -0.665 -7.085 2.845 1.00 1.02 O ATOM 711 CB LEU A 65 -2.244 -6.894 0.694 1.00 0.61 C ATOM 712 CG LEU A 65 -2.983 -6.110 1.778 1.00 0.50 C ATOM 713 CD1 LEU A 65 -2.482 -4.666 1.795 1.00 0.46 C ATOM 714 CD2 LEU A 65 -4.482 -6.122 1.476 1.00 0.39 C ATOM 0 H LEU A 65 -3.681 -8.648 2.351 1.00 0.51 H new ATOM 0 HA LEU A 65 -1.378 -8.860 0.440 1.00 0.62 H new ATOM 0 HB2 LEU A 65 -1.329 -6.372 0.415 1.00 0.61 H new ATOM 0 HB3 LEU A 65 -2.859 -6.960 -0.203 1.00 0.61 H new ATOM 0 HG LEU A 65 -2.800 -6.570 2.749 1.00 0.50 H new ATOM 0 HD11 LEU A 65 -3.009 -4.107 2.568 1.00 0.46 H new ATOM 0 HD12 LEU A 65 -1.412 -4.654 2.004 1.00 0.46 H new ATOM 0 HD13 LEU A 65 -2.667 -4.205 0.825 1.00 0.46 H new ATOM 0 HD21 LEU A 65 -5.013 -5.564 2.247 1.00 0.39 H new ATOM 0 HD22 LEU A 65 -4.661 -5.660 0.505 1.00 0.39 H new ATOM 0 HD23 LEU A 65 -4.842 -7.151 1.460 1.00 0.39 H new ATOM 726 N PRO A 66 -0.674 -9.303 3.054 1.00 1.11 N ATOM 727 CA PRO A 66 0.180 -9.316 4.259 1.00 1.29 C ATOM 728 C PRO A 66 1.649 -9.100 3.881 1.00 0.99 C ATOM 729 O PRO A 66 2.099 -9.519 2.831 1.00 1.45 O ATOM 730 CB PRO A 66 -0.024 -10.720 4.831 1.00 2.25 C ATOM 731 CG PRO A 66 -0.497 -11.604 3.656 1.00 2.60 C ATOM 732 CD PRO A 66 -1.095 -10.651 2.604 1.00 1.85 C ATOM 0 HA PRO A 66 -0.074 -8.527 4.967 1.00 1.29 H new ATOM 0 HB2 PRO A 66 0.903 -11.104 5.258 1.00 2.25 H new ATOM 0 HB3 PRO A 66 -0.763 -10.710 5.632 1.00 2.25 H new ATOM 0 HG2 PRO A 66 0.335 -12.171 3.238 1.00 2.60 H new ATOM 0 HG3 PRO A 66 -1.240 -12.328 3.990 1.00 2.60 H new ATOM 0 HD2 PRO A 66 -0.719 -10.873 1.606 1.00 1.85 H new ATOM 0 HD3 PRO A 66 -2.181 -10.736 2.561 1.00 1.85 H new ATOM 740 N LYS A 67 2.404 -8.456 4.731 1.00 0.81 N ATOM 741 CA LYS A 67 3.847 -8.223 4.427 1.00 1.26 C ATOM 742 C LYS A 67 4.448 -7.293 5.478 1.00 0.94 C ATOM 743 O LYS A 67 5.245 -6.426 5.178 1.00 1.52 O ATOM 744 CB LYS A 67 3.990 -7.590 3.041 1.00 1.89 C ATOM 745 CG LYS A 67 4.654 -8.585 2.092 1.00 2.78 C ATOM 746 CD LYS A 67 4.037 -8.449 0.700 1.00 3.33 C ATOM 747 CE LYS A 67 4.320 -9.715 -0.109 1.00 4.17 C ATOM 748 NZ LYS A 67 3.397 -10.799 0.329 1.00 3.35 N ATOM 0 H LYS A 67 2.084 -8.081 5.624 1.00 0.81 H new ATOM 0 HA LYS A 67 4.375 -9.177 4.442 1.00 1.26 H new ATOM 0 HB2 LYS A 67 3.011 -7.304 2.658 1.00 1.89 H new ATOM 0 HB3 LYS A 67 4.586 -6.679 3.105 1.00 1.89 H new ATOM 0 HG2 LYS A 67 5.727 -8.400 2.046 1.00 2.78 H new ATOM 0 HG3 LYS A 67 4.522 -9.602 2.463 1.00 2.78 H new ATOM 0 HD2 LYS A 67 2.962 -8.289 0.781 1.00 3.33 H new ATOM 0 HD3 LYS A 67 4.451 -7.579 0.190 1.00 3.33 H new ATOM 0 HE2 LYS A 67 4.188 -9.517 -1.173 1.00 4.17 H new ATOM 0 HE3 LYS A 67 5.355 -10.025 0.031 1.00 4.17 H new ATOM 0 HZ1 LYS A 67 3.948 -11.645 0.577 1.00 3.35 H new ATOM 0 HZ2 LYS A 67 2.858 -10.481 1.160 1.00 3.35 H new ATOM 0 HZ3 LYS A 67 2.739 -11.028 -0.443 1.00 3.35 H new ATOM 762 N MET A 68 4.074 -7.475 6.709 1.00 0.51 N ATOM 763 CA MET A 68 4.621 -6.612 7.795 1.00 0.50 C ATOM 764 C MET A 68 3.998 -7.018 9.130 1.00 0.70 C ATOM 765 O MET A 68 2.794 -7.116 9.255 1.00 0.96 O ATOM 766 CB MET A 68 4.292 -5.147 7.499 1.00 0.62 C ATOM 767 CG MET A 68 5.562 -4.304 7.633 1.00 0.65 C ATOM 768 SD MET A 68 5.680 -3.163 6.234 1.00 1.31 S ATOM 769 CE MET A 68 7.233 -2.374 6.718 1.00 0.63 C ATOM 0 H MET A 68 3.410 -8.187 7.015 1.00 0.51 H new ATOM 0 HA MET A 68 5.703 -6.735 7.848 1.00 0.50 H new ATOM 0 HB2 MET A 68 3.883 -5.051 6.493 1.00 0.62 H new ATOM 0 HB3 MET A 68 3.529 -4.787 8.189 1.00 0.62 H new ATOM 0 HG2 MET A 68 5.544 -3.747 8.570 1.00 0.65 H new ATOM 0 HG3 MET A 68 6.439 -4.951 7.663 1.00 0.65 H new ATOM 0 HE1 MET A 68 7.224 -1.330 6.405 1.00 0.63 H new ATOM 0 HE2 MET A 68 7.346 -2.427 7.801 1.00 0.63 H new ATOM 0 HE3 MET A 68 8.067 -2.889 6.241 1.00 0.63 H new ATOM 779 N ALA A 69 4.805 -7.254 10.129 1.00 0.69 N ATOM 780 CA ALA A 69 4.245 -7.655 11.448 1.00 0.98 C ATOM 781 C ALA A 69 5.375 -7.837 12.466 1.00 0.86 C ATOM 782 O ALA A 69 5.357 -8.760 13.253 1.00 2.25 O ATOM 783 CB ALA A 69 3.490 -8.974 11.289 1.00 1.34 C ATOM 0 H ALA A 69 5.822 -7.187 10.088 1.00 0.69 H new ATOM 0 HA ALA A 69 3.569 -6.878 11.804 1.00 0.98 H new ATOM 0 HB1 ALA A 69 3.076 -9.275 12.252 1.00 1.34 H new ATOM 0 HB2 ALA A 69 2.681 -8.846 10.570 1.00 1.34 H new ATOM 0 HB3 ALA A 69 4.174 -9.744 10.931 1.00 1.34 H new ATOM 789 N GLU A 70 6.347 -6.958 12.458 1.00 1.66 N ATOM 790 CA GLU A 70 7.494 -7.052 13.423 1.00 1.45 C ATOM 791 C GLU A 70 8.486 -8.129 12.959 1.00 1.19 C ATOM 792 O GLU A 70 9.553 -7.822 12.464 1.00 1.55 O ATOM 793 CB GLU A 70 6.992 -7.384 14.839 1.00 1.57 C ATOM 794 CG GLU A 70 5.783 -6.506 15.186 1.00 2.56 C ATOM 795 CD GLU A 70 6.241 -5.320 16.038 1.00 3.70 C ATOM 796 OE1 GLU A 70 7.204 -5.478 16.770 1.00 4.03 O ATOM 797 OE2 GLU A 70 5.620 -4.274 15.943 1.00 4.47 O ATOM 0 H GLU A 70 6.397 -6.167 11.816 1.00 1.66 H new ATOM 0 HA GLU A 70 7.997 -6.085 13.450 1.00 1.45 H new ATOM 0 HB2 GLU A 70 6.716 -8.437 14.899 1.00 1.57 H new ATOM 0 HB3 GLU A 70 7.790 -7.222 15.564 1.00 1.57 H new ATOM 0 HG2 GLU A 70 5.306 -6.149 14.273 1.00 2.56 H new ATOM 0 HG3 GLU A 70 5.039 -7.091 15.727 1.00 2.56 H new ATOM 804 N LYS A 71 8.152 -9.385 13.113 1.00 0.99 N ATOM 805 CA LYS A 71 9.084 -10.466 12.680 1.00 0.78 C ATOM 806 C LYS A 71 9.523 -10.232 11.230 1.00 0.53 C ATOM 807 O LYS A 71 10.551 -10.714 10.800 1.00 0.52 O ATOM 808 CB LYS A 71 8.375 -11.822 12.791 1.00 1.04 C ATOM 809 CG LYS A 71 9.298 -12.931 12.273 1.00 0.75 C ATOM 810 CD LYS A 71 8.845 -14.280 12.832 1.00 1.12 C ATOM 811 CE LYS A 71 7.495 -14.661 12.220 1.00 0.54 C ATOM 812 NZ LYS A 71 6.858 -15.722 13.048 1.00 1.62 N ATOM 0 H LYS A 71 7.274 -9.707 13.520 1.00 0.99 H new ATOM 0 HA LYS A 71 9.965 -10.459 13.322 1.00 0.78 H new ATOM 0 HB2 LYS A 71 8.103 -12.017 13.828 1.00 1.04 H new ATOM 0 HB3 LYS A 71 7.449 -11.808 12.216 1.00 1.04 H new ATOM 0 HG2 LYS A 71 9.280 -12.953 11.183 1.00 0.75 H new ATOM 0 HG3 LYS A 71 10.327 -12.730 12.571 1.00 0.75 H new ATOM 0 HD2 LYS A 71 9.587 -15.046 12.607 1.00 1.12 H new ATOM 0 HD3 LYS A 71 8.762 -14.226 13.917 1.00 1.12 H new ATOM 0 HE2 LYS A 71 6.847 -13.786 12.169 1.00 0.54 H new ATOM 0 HE3 LYS A 71 7.633 -15.016 11.199 1.00 0.54 H new ATOM 0 HZ1 LYS A 71 5.940 -15.982 12.633 1.00 1.62 H new ATOM 0 HZ2 LYS A 71 7.475 -16.559 13.075 1.00 1.62 H new ATOM 0 HZ3 LYS A 71 6.713 -15.368 14.015 1.00 1.62 H new ATOM 826 N ASP A 72 8.752 -9.497 10.470 1.00 0.61 N ATOM 827 CA ASP A 72 9.126 -9.236 9.048 1.00 0.87 C ATOM 828 C ASP A 72 10.585 -8.775 8.964 1.00 0.77 C ATOM 829 O ASP A 72 11.350 -9.253 8.150 1.00 1.15 O ATOM 830 CB ASP A 72 8.213 -8.147 8.479 1.00 1.09 C ATOM 831 CG ASP A 72 7.003 -8.795 7.805 1.00 2.18 C ATOM 832 OD1 ASP A 72 6.289 -9.517 8.482 1.00 3.37 O ATOM 833 OD2 ASP A 72 6.810 -8.557 6.624 1.00 2.16 O ATOM 0 H ASP A 72 7.879 -9.066 10.774 1.00 0.61 H new ATOM 0 HA ASP A 72 9.011 -10.154 8.472 1.00 0.87 H new ATOM 0 HB2 ASP A 72 7.884 -7.480 9.276 1.00 1.09 H new ATOM 0 HB3 ASP A 72 8.760 -7.538 7.759 1.00 1.09 H new ATOM 838 N GLY A 73 10.980 -7.853 9.799 1.00 0.81 N ATOM 839 CA GLY A 73 12.390 -7.373 9.762 1.00 1.47 C ATOM 840 C GLY A 73 12.454 -5.931 10.268 1.00 1.18 C ATOM 841 O GLY A 73 13.423 -5.517 10.871 1.00 1.34 O ATOM 0 H GLY A 73 10.389 -7.412 10.504 1.00 0.81 H new ATOM 0 HA2 GLY A 73 13.019 -8.014 10.379 1.00 1.47 H new ATOM 0 HA3 GLY A 73 12.778 -7.430 8.745 1.00 1.47 H new ATOM 845 N CYS A 74 11.427 -5.162 10.030 1.00 1.17 N ATOM 846 CA CYS A 74 11.431 -3.747 10.501 1.00 0.93 C ATOM 847 C CYS A 74 11.494 -3.722 12.031 1.00 1.43 C ATOM 848 O CYS A 74 12.441 -3.236 12.615 1.00 2.97 O ATOM 849 CB CYS A 74 10.155 -3.050 10.024 1.00 0.64 C ATOM 850 SG CYS A 74 9.946 -3.332 8.247 1.00 0.38 S ATOM 0 H CYS A 74 10.586 -5.451 9.530 1.00 1.17 H new ATOM 0 HA CYS A 74 12.299 -3.227 10.096 1.00 0.93 H new ATOM 0 HB2 CYS A 74 9.292 -3.434 10.569 1.00 0.64 H new ATOM 0 HB3 CYS A 74 10.212 -1.981 10.230 1.00 0.64 H new ATOM 855 N PHE A 75 10.495 -4.252 12.688 1.00 0.82 N ATOM 856 CA PHE A 75 10.507 -4.266 14.183 1.00 1.20 C ATOM 857 C PHE A 75 10.927 -5.656 14.659 1.00 2.48 C ATOM 858 O PHE A 75 10.280 -6.259 15.491 1.00 3.14 O ATOM 859 CB PHE A 75 9.110 -3.954 14.748 1.00 0.36 C ATOM 860 CG PHE A 75 8.313 -3.105 13.781 1.00 0.75 C ATOM 861 CD1 PHE A 75 8.850 -1.913 13.284 1.00 1.83 C ATOM 862 CD2 PHE A 75 7.035 -3.516 13.382 1.00 0.76 C ATOM 863 CE1 PHE A 75 8.108 -1.131 12.390 1.00 2.40 C ATOM 864 CE2 PHE A 75 6.294 -2.735 12.489 1.00 1.13 C ATOM 865 CZ PHE A 75 6.831 -1.542 11.993 1.00 1.92 C ATOM 0 H PHE A 75 9.673 -4.675 12.256 1.00 0.82 H new ATOM 0 HA PHE A 75 11.205 -3.506 14.533 1.00 1.20 H new ATOM 0 HB2 PHE A 75 8.577 -4.884 14.946 1.00 0.36 H new ATOM 0 HB3 PHE A 75 9.207 -3.433 15.701 1.00 0.36 H new ATOM 0 HD1 PHE A 75 9.836 -1.596 13.589 1.00 1.83 H new ATOM 0 HD2 PHE A 75 6.621 -4.437 13.764 1.00 0.76 H new ATOM 0 HE1 PHE A 75 8.522 -0.210 12.007 1.00 2.40 H new ATOM 0 HE2 PHE A 75 5.308 -3.053 12.183 1.00 1.13 H new ATOM 0 HZ PHE A 75 6.260 -0.938 11.304 1.00 1.92 H new ATOM 875 N GLN A 76 11.997 -6.175 14.126 1.00 3.85 N ATOM 876 CA GLN A 76 12.447 -7.534 14.537 1.00 5.07 C ATOM 877 C GLN A 76 13.365 -7.459 15.764 1.00 3.45 C ATOM 878 O GLN A 76 13.852 -8.470 16.222 1.00 3.83 O ATOM 879 CB GLN A 76 13.213 -8.180 13.381 1.00 7.53 C ATOM 880 CG GLN A 76 12.460 -9.421 12.897 1.00 9.39 C ATOM 881 CD GLN A 76 13.463 -10.465 12.402 1.00 11.41 C ATOM 882 OE1 GLN A 76 14.160 -10.243 11.433 1.00 12.17 O ATOM 883 NE2 GLN A 76 13.566 -11.604 13.032 1.00 12.49 N ATOM 0 H GLN A 76 12.579 -5.718 13.424 1.00 3.85 H new ATOM 0 HA GLN A 76 11.569 -8.128 14.792 1.00 5.07 H new ATOM 0 HB2 GLN A 76 13.325 -7.468 12.563 1.00 7.53 H new ATOM 0 HB3 GLN A 76 14.217 -8.455 13.705 1.00 7.53 H new ATOM 0 HG2 GLN A 76 11.859 -9.834 13.707 1.00 9.39 H new ATOM 0 HG3 GLN A 76 11.772 -9.153 12.095 1.00 9.39 H new ATOM 0 HE21 GLN A 76 12.981 -11.791 13.846 1.00 12.49 H new ATOM 0 HE22 GLN A 76 14.232 -12.307 12.710 1.00 12.49 H new ATOM 892 N SER A 77 13.611 -6.271 16.281 1.00 2.33 N ATOM 893 CA SER A 77 14.518 -6.097 17.469 1.00 2.33 C ATOM 894 C SER A 77 15.962 -6.032 16.966 1.00 3.10 C ATOM 895 O SER A 77 16.639 -5.037 17.124 1.00 4.70 O ATOM 896 CB SER A 77 14.357 -7.250 18.468 1.00 3.28 C ATOM 897 OG SER A 77 14.890 -6.856 19.725 1.00 4.07 O ATOM 0 H SER A 77 13.215 -5.402 15.923 1.00 2.33 H new ATOM 0 HA SER A 77 14.255 -5.177 17.990 1.00 2.33 H new ATOM 0 HB2 SER A 77 13.304 -7.513 18.572 1.00 3.28 H new ATOM 0 HB3 SER A 77 14.873 -8.138 18.103 1.00 3.28 H new ATOM 0 HG SER A 77 14.788 -7.589 20.368 1.00 4.07 H new ATOM 903 N GLY A 78 16.425 -7.070 16.322 1.00 2.41 N ATOM 904 CA GLY A 78 17.804 -7.051 15.764 1.00 3.06 C ATOM 905 C GLY A 78 17.703 -6.689 14.279 1.00 2.86 C ATOM 906 O GLY A 78 18.501 -7.108 13.464 1.00 3.83 O ATOM 0 H GLY A 78 15.904 -7.932 16.159 1.00 2.41 H new ATOM 0 HA2 GLY A 78 18.420 -6.324 16.293 1.00 3.06 H new ATOM 0 HA3 GLY A 78 18.280 -8.024 15.889 1.00 3.06 H new ATOM 910 N PHE A 79 16.705 -5.912 13.933 1.00 1.77 N ATOM 911 CA PHE A 79 16.487 -5.494 12.518 1.00 1.83 C ATOM 912 C PHE A 79 17.820 -5.090 11.869 1.00 1.75 C ATOM 913 O PHE A 79 18.583 -4.318 12.414 1.00 1.68 O ATOM 914 CB PHE A 79 15.495 -4.314 12.527 1.00 1.71 C ATOM 915 CG PHE A 79 15.503 -3.575 11.208 1.00 2.02 C ATOM 916 CD1 PHE A 79 15.665 -4.274 10.008 1.00 3.25 C ATOM 917 CD2 PHE A 79 15.354 -2.184 11.196 1.00 1.56 C ATOM 918 CE1 PHE A 79 15.679 -3.580 8.792 1.00 3.54 C ATOM 919 CE2 PHE A 79 15.369 -1.489 9.982 1.00 1.75 C ATOM 920 CZ PHE A 79 15.531 -2.186 8.779 1.00 2.58 C ATOM 0 H PHE A 79 16.018 -5.543 14.590 1.00 1.77 H new ATOM 0 HA PHE A 79 16.079 -6.318 11.932 1.00 1.83 H new ATOM 0 HB2 PHE A 79 14.490 -4.683 12.733 1.00 1.71 H new ATOM 0 HB3 PHE A 79 15.753 -3.626 13.332 1.00 1.71 H new ATOM 0 HD1 PHE A 79 15.779 -5.348 10.019 1.00 3.25 H new ATOM 0 HD2 PHE A 79 15.227 -1.647 12.124 1.00 1.56 H new ATOM 0 HE1 PHE A 79 15.804 -4.119 7.864 1.00 3.54 H new ATOM 0 HE2 PHE A 79 15.256 -0.415 9.973 1.00 1.75 H new ATOM 0 HZ PHE A 79 15.542 -1.650 7.841 1.00 2.58 H new ATOM 930 N ASN A 80 18.097 -5.615 10.705 1.00 2.26 N ATOM 931 CA ASN A 80 19.368 -5.275 10.009 1.00 2.48 C ATOM 932 C ASN A 80 19.121 -4.142 9.014 1.00 2.04 C ATOM 933 O ASN A 80 19.528 -3.016 9.226 1.00 2.45 O ATOM 934 CB ASN A 80 19.882 -6.504 9.258 1.00 3.45 C ATOM 935 CG ASN A 80 20.543 -7.468 10.246 1.00 3.52 C ATOM 936 OD1 ASN A 80 21.125 -7.046 11.226 1.00 3.90 O ATOM 937 ND2 ASN A 80 20.477 -8.752 10.027 1.00 3.35 N ATOM 0 H ASN A 80 17.493 -6.268 10.206 1.00 2.26 H new ATOM 0 HA ASN A 80 20.108 -4.958 10.744 1.00 2.48 H new ATOM 0 HB2 ASN A 80 19.058 -7.001 8.745 1.00 3.45 H new ATOM 0 HB3 ASN A 80 20.598 -6.203 8.493 1.00 3.45 H new ATOM 0 HD21 ASN A 80 20.914 -9.404 10.679 1.00 3.35 H new ATOM 0 HD22 ASN A 80 19.988 -9.105 9.204 1.00 3.35 H new ATOM 944 N GLU A 81 18.463 -4.431 7.925 1.00 1.37 N ATOM 945 CA GLU A 81 18.195 -3.374 6.908 1.00 0.99 C ATOM 946 C GLU A 81 17.638 -4.025 5.646 1.00 0.72 C ATOM 947 O GLU A 81 16.747 -3.505 5.001 1.00 0.70 O ATOM 948 CB GLU A 81 19.505 -2.660 6.557 1.00 1.26 C ATOM 949 CG GLU A 81 19.451 -1.223 7.064 1.00 2.06 C ATOM 950 CD GLU A 81 20.869 -0.656 7.149 1.00 2.19 C ATOM 951 OE1 GLU A 81 21.604 -1.079 8.028 1.00 0.96 O ATOM 952 OE2 GLU A 81 21.198 0.190 6.335 1.00 3.79 O ATOM 0 H GLU A 81 18.098 -5.355 7.695 1.00 1.37 H new ATOM 0 HA GLU A 81 17.479 -2.657 7.309 1.00 0.99 H new ATOM 0 HB2 GLU A 81 20.349 -3.184 7.006 1.00 1.26 H new ATOM 0 HB3 GLU A 81 19.660 -2.671 5.478 1.00 1.26 H new ATOM 0 HG2 GLU A 81 18.844 -0.613 6.395 1.00 2.06 H new ATOM 0 HG3 GLU A 81 18.976 -1.190 8.044 1.00 2.06 H new ATOM 959 N GLU A 82 18.173 -5.153 5.283 1.00 0.63 N ATOM 960 CA GLU A 82 17.702 -5.842 4.052 1.00 0.66 C ATOM 961 C GLU A 82 16.411 -6.615 4.332 1.00 0.53 C ATOM 962 O GLU A 82 15.749 -7.063 3.421 1.00 0.81 O ATOM 963 CB GLU A 82 18.781 -6.819 3.577 1.00 0.83 C ATOM 964 CG GLU A 82 18.304 -7.540 2.312 1.00 1.51 C ATOM 965 CD GLU A 82 17.790 -8.935 2.674 1.00 2.26 C ATOM 966 OE1 GLU A 82 17.626 -9.200 3.855 1.00 2.32 O ATOM 967 OE2 GLU A 82 17.567 -9.715 1.763 1.00 3.06 O ATOM 0 H GLU A 82 18.920 -5.631 5.788 1.00 0.63 H new ATOM 0 HA GLU A 82 17.507 -5.095 3.283 1.00 0.66 H new ATOM 0 HB2 GLU A 82 19.707 -6.282 3.374 1.00 0.83 H new ATOM 0 HB3 GLU A 82 18.999 -7.545 4.361 1.00 0.83 H new ATOM 0 HG2 GLU A 82 17.513 -6.965 1.831 1.00 1.51 H new ATOM 0 HG3 GLU A 82 19.122 -7.618 1.596 1.00 1.51 H new ATOM 974 N THR A 83 16.037 -6.781 5.570 1.00 0.27 N ATOM 975 CA THR A 83 14.786 -7.538 5.851 1.00 0.53 C ATOM 976 C THR A 83 13.598 -6.589 5.798 1.00 0.47 C ATOM 977 O THR A 83 12.582 -6.886 5.201 1.00 0.50 O ATOM 978 CB THR A 83 14.860 -8.189 7.229 1.00 0.69 C ATOM 979 OG1 THR A 83 16.181 -8.658 7.462 1.00 0.96 O ATOM 980 CG2 THR A 83 13.880 -9.362 7.272 1.00 0.81 C ATOM 0 H THR A 83 16.535 -6.431 6.388 1.00 0.27 H new ATOM 0 HA THR A 83 14.667 -8.318 5.099 1.00 0.53 H new ATOM 0 HB THR A 83 14.600 -7.463 7.999 1.00 0.69 H new ATOM 0 HG1 THR A 83 16.229 -9.075 8.348 1.00 0.96 H new ATOM 0 HG21 THR A 83 13.923 -9.836 8.252 1.00 0.81 H new ATOM 0 HG22 THR A 83 12.869 -8.998 7.089 1.00 0.81 H new ATOM 0 HG23 THR A 83 14.148 -10.089 6.505 1.00 0.81 H new ATOM 988 N CYS A 84 13.713 -5.446 6.406 1.00 0.39 N ATOM 989 CA CYS A 84 12.584 -4.487 6.370 1.00 0.35 C ATOM 990 C CYS A 84 12.460 -3.940 4.949 1.00 0.28 C ATOM 991 O CYS A 84 11.387 -3.888 4.381 1.00 0.29 O ATOM 992 CB CYS A 84 12.843 -3.340 7.350 1.00 0.33 C ATOM 993 SG CYS A 84 11.409 -2.234 7.387 1.00 1.13 S ATOM 0 H CYS A 84 14.536 -5.137 6.923 1.00 0.39 H new ATOM 0 HA CYS A 84 11.660 -4.987 6.659 1.00 0.35 H new ATOM 0 HB2 CYS A 84 13.034 -3.737 8.347 1.00 0.33 H new ATOM 0 HB3 CYS A 84 13.733 -2.787 7.051 1.00 0.33 H new ATOM 998 N LEU A 85 13.559 -3.542 4.367 1.00 0.27 N ATOM 999 CA LEU A 85 13.516 -3.002 2.979 1.00 0.33 C ATOM 1000 C LEU A 85 12.992 -4.071 2.016 1.00 0.43 C ATOM 1001 O LEU A 85 12.227 -3.781 1.121 1.00 0.45 O ATOM 1002 CB LEU A 85 14.924 -2.577 2.556 1.00 0.39 C ATOM 1003 CG LEU A 85 14.831 -1.609 1.375 1.00 0.40 C ATOM 1004 CD1 LEU A 85 14.140 -0.320 1.826 1.00 0.36 C ATOM 1005 CD2 LEU A 85 16.238 -1.283 0.871 1.00 0.42 C ATOM 0 H LEU A 85 14.485 -3.568 4.794 1.00 0.27 H new ATOM 0 HA LEU A 85 12.849 -2.141 2.950 1.00 0.33 H new ATOM 0 HB2 LEU A 85 15.438 -2.101 3.391 1.00 0.39 H new ATOM 0 HB3 LEU A 85 15.511 -3.452 2.278 1.00 0.39 H new ATOM 0 HG LEU A 85 14.255 -2.069 0.572 1.00 0.40 H new ATOM 0 HD11 LEU A 85 14.073 0.370 0.985 1.00 0.36 H new ATOM 0 HD12 LEU A 85 13.138 -0.551 2.186 1.00 0.36 H new ATOM 0 HD13 LEU A 85 14.716 0.140 2.628 1.00 0.36 H new ATOM 0 HD21 LEU A 85 16.172 -0.593 0.029 1.00 0.42 H new ATOM 0 HD22 LEU A 85 16.814 -0.823 1.673 1.00 0.42 H new ATOM 0 HD23 LEU A 85 16.731 -2.201 0.550 1.00 0.42 H new ATOM 1017 N VAL A 86 13.392 -5.307 2.186 1.00 0.50 N ATOM 1018 CA VAL A 86 12.893 -6.373 1.267 1.00 0.61 C ATOM 1019 C VAL A 86 11.359 -6.404 1.344 1.00 0.53 C ATOM 1020 O VAL A 86 10.674 -6.472 0.337 1.00 0.59 O ATOM 1021 CB VAL A 86 13.509 -7.731 1.682 1.00 0.74 C ATOM 1022 CG1 VAL A 86 12.657 -8.910 1.184 1.00 1.08 C ATOM 1023 CG2 VAL A 86 14.902 -7.848 1.060 1.00 0.80 C ATOM 0 H VAL A 86 14.035 -5.620 2.913 1.00 0.50 H new ATOM 0 HA VAL A 86 13.187 -6.170 0.237 1.00 0.61 H new ATOM 0 HB VAL A 86 13.554 -7.768 2.770 1.00 0.74 H new ATOM 0 HG11 VAL A 86 13.118 -9.848 1.493 1.00 1.08 H new ATOM 0 HG12 VAL A 86 11.656 -8.841 1.609 1.00 1.08 H new ATOM 0 HG13 VAL A 86 12.592 -8.878 0.096 1.00 1.08 H new ATOM 0 HG21 VAL A 86 15.349 -8.801 1.344 1.00 0.80 H new ATOM 0 HG22 VAL A 86 14.821 -7.795 -0.026 1.00 0.80 H new ATOM 0 HG23 VAL A 86 15.530 -7.032 1.418 1.00 0.80 H new ATOM 1033 N LYS A 87 10.817 -6.349 2.530 1.00 0.46 N ATOM 1034 CA LYS A 87 9.336 -6.368 2.673 1.00 0.50 C ATOM 1035 C LYS A 87 8.750 -5.141 1.974 1.00 0.31 C ATOM 1036 O LYS A 87 7.623 -5.152 1.523 1.00 0.32 O ATOM 1037 CB LYS A 87 8.962 -6.349 4.156 1.00 0.60 C ATOM 1038 CG LYS A 87 9.499 -7.613 4.835 1.00 1.27 C ATOM 1039 CD LYS A 87 8.926 -8.854 4.143 1.00 0.83 C ATOM 1040 CE LYS A 87 9.047 -10.060 5.077 1.00 1.09 C ATOM 1041 NZ LYS A 87 10.337 -10.761 4.821 1.00 2.34 N ATOM 0 H LYS A 87 11.337 -6.292 3.406 1.00 0.46 H new ATOM 0 HA LYS A 87 8.934 -7.273 2.218 1.00 0.50 H new ATOM 0 HB2 LYS A 87 9.377 -5.462 4.635 1.00 0.60 H new ATOM 0 HB3 LYS A 87 7.879 -6.295 4.268 1.00 0.60 H new ATOM 0 HG2 LYS A 87 10.588 -7.628 4.787 1.00 1.27 H new ATOM 0 HG3 LYS A 87 9.226 -7.615 5.890 1.00 1.27 H new ATOM 0 HD2 LYS A 87 7.881 -8.687 3.880 1.00 0.83 H new ATOM 0 HD3 LYS A 87 9.462 -9.045 3.213 1.00 0.83 H new ATOM 0 HE2 LYS A 87 8.998 -9.735 6.116 1.00 1.09 H new ATOM 0 HE3 LYS A 87 8.212 -10.742 4.917 1.00 1.09 H new ATOM 0 HZ1 LYS A 87 10.419 -11.581 5.456 1.00 2.34 H new ATOM 0 HZ2 LYS A 87 10.366 -11.084 3.833 1.00 2.34 H new ATOM 0 HZ3 LYS A 87 11.127 -10.108 4.995 1.00 2.34 H new ATOM 1055 N ILE A 88 9.509 -4.083 1.877 1.00 0.19 N ATOM 1056 CA ILE A 88 9.001 -2.856 1.196 1.00 0.25 C ATOM 1057 C ILE A 88 8.957 -3.099 -0.317 1.00 0.32 C ATOM 1058 O ILE A 88 8.106 -2.581 -1.012 1.00 0.36 O ATOM 1059 CB ILE A 88 9.935 -1.677 1.492 1.00 0.48 C ATOM 1060 CG1 ILE A 88 9.932 -1.386 2.995 1.00 0.61 C ATOM 1061 CG2 ILE A 88 9.456 -0.434 0.738 1.00 0.51 C ATOM 1062 CD1 ILE A 88 8.511 -1.058 3.451 1.00 0.35 C ATOM 0 H ILE A 88 10.460 -4.015 2.240 1.00 0.19 H new ATOM 0 HA ILE A 88 8.001 -2.626 1.563 1.00 0.25 H new ATOM 0 HB ILE A 88 10.944 -1.932 1.169 1.00 0.48 H new ATOM 0 HG12 ILE A 88 10.311 -2.249 3.543 1.00 0.61 H new ATOM 0 HG13 ILE A 88 10.597 -0.551 3.215 1.00 0.61 H new ATOM 0 HG21 ILE A 88 10.123 0.401 0.952 1.00 0.51 H new ATOM 0 HG22 ILE A 88 9.458 -0.635 -0.333 1.00 0.51 H new ATOM 0 HG23 ILE A 88 8.445 -0.182 1.058 1.00 0.51 H new ATOM 0 HD11 ILE A 88 8.511 -0.851 4.521 1.00 0.35 H new ATOM 0 HD12 ILE A 88 8.149 -0.182 2.912 1.00 0.35 H new ATOM 0 HD13 ILE A 88 7.858 -1.906 3.245 1.00 0.35 H new ATOM 1074 N ILE A 89 9.866 -3.882 -0.830 1.00 0.45 N ATOM 1075 CA ILE A 89 9.875 -4.157 -2.296 1.00 0.66 C ATOM 1076 C ILE A 89 8.634 -4.986 -2.655 1.00 0.56 C ATOM 1077 O ILE A 89 7.758 -4.526 -3.359 1.00 0.48 O ATOM 1078 CB ILE A 89 11.155 -4.921 -2.665 1.00 0.90 C ATOM 1079 CG1 ILE A 89 12.372 -4.187 -2.091 1.00 1.12 C ATOM 1080 CG2 ILE A 89 11.307 -5.017 -4.192 1.00 0.90 C ATOM 1081 CD1 ILE A 89 12.401 -2.747 -2.609 1.00 0.77 C ATOM 0 H ILE A 89 10.603 -4.344 -0.298 1.00 0.45 H new ATOM 0 HA ILE A 89 9.854 -3.221 -2.854 1.00 0.66 H new ATOM 0 HB ILE A 89 11.090 -5.926 -2.249 1.00 0.90 H new ATOM 0 HG12 ILE A 89 12.330 -4.191 -1.002 1.00 1.12 H new ATOM 0 HG13 ILE A 89 13.288 -4.704 -2.376 1.00 1.12 H new ATOM 0 HG21 ILE A 89 12.220 -5.562 -4.433 1.00 0.90 H new ATOM 0 HG22 ILE A 89 10.449 -5.543 -4.611 1.00 0.90 H new ATOM 0 HG23 ILE A 89 11.360 -4.014 -4.616 1.00 0.90 H new ATOM 0 HD11 ILE A 89 13.268 -2.230 -2.198 1.00 0.77 H new ATOM 0 HD12 ILE A 89 12.464 -2.753 -3.697 1.00 0.77 H new ATOM 0 HD13 ILE A 89 11.491 -2.231 -2.301 1.00 0.77 H new ATOM 1093 N THR A 90 8.538 -6.198 -2.168 1.00 0.63 N ATOM 1094 CA THR A 90 7.332 -7.027 -2.494 1.00 0.63 C ATOM 1095 C THR A 90 6.084 -6.378 -1.893 1.00 0.49 C ATOM 1096 O THR A 90 4.976 -6.628 -2.324 1.00 0.55 O ATOM 1097 CB THR A 90 7.472 -8.445 -1.923 1.00 0.83 C ATOM 1098 OG1 THR A 90 6.250 -9.144 -2.114 1.00 2.02 O ATOM 1099 CG2 THR A 90 7.790 -8.385 -0.426 1.00 1.52 C ATOM 0 H THR A 90 9.230 -6.646 -1.567 1.00 0.63 H new ATOM 0 HA THR A 90 7.244 -7.086 -3.579 1.00 0.63 H new ATOM 0 HB THR A 90 8.284 -8.959 -2.437 1.00 0.83 H new ATOM 0 HG1 THR A 90 6.379 -10.092 -1.902 1.00 2.02 H new ATOM 0 HG21 THR A 90 7.887 -9.397 -0.034 1.00 1.52 H new ATOM 0 HG22 THR A 90 8.725 -7.846 -0.274 1.00 1.52 H new ATOM 0 HG23 THR A 90 6.985 -7.869 0.097 1.00 1.52 H new ATOM 1107 N GLY A 91 6.253 -5.554 -0.899 1.00 0.39 N ATOM 1108 CA GLY A 91 5.074 -4.896 -0.269 1.00 0.40 C ATOM 1109 C GLY A 91 4.511 -3.841 -1.220 1.00 0.28 C ATOM 1110 O GLY A 91 3.319 -3.600 -1.263 1.00 0.32 O ATOM 0 H GLY A 91 7.156 -5.307 -0.495 1.00 0.39 H new ATOM 0 HA2 GLY A 91 4.310 -5.638 -0.039 1.00 0.40 H new ATOM 0 HA3 GLY A 91 5.363 -4.433 0.674 1.00 0.40 H new ATOM 1114 N LEU A 92 5.358 -3.209 -1.982 1.00 0.20 N ATOM 1115 CA LEU A 92 4.870 -2.166 -2.923 1.00 0.21 C ATOM 1116 C LEU A 92 4.341 -2.826 -4.204 1.00 0.33 C ATOM 1117 O LEU A 92 3.505 -2.276 -4.886 1.00 0.33 O ATOM 1118 CB LEU A 92 6.014 -1.213 -3.273 1.00 0.30 C ATOM 1119 CG LEU A 92 6.317 -0.313 -2.075 1.00 0.43 C ATOM 1120 CD1 LEU A 92 7.505 0.592 -2.408 1.00 0.47 C ATOM 1121 CD2 LEU A 92 5.091 0.549 -1.763 1.00 0.53 C ATOM 0 H LEU A 92 6.365 -3.370 -1.994 1.00 0.20 H new ATOM 0 HA LEU A 92 4.064 -1.606 -2.449 1.00 0.21 H new ATOM 0 HB2 LEU A 92 6.903 -1.781 -3.548 1.00 0.30 H new ATOM 0 HB3 LEU A 92 5.744 -0.606 -4.137 1.00 0.30 H new ATOM 0 HG LEU A 92 6.559 -0.928 -1.208 1.00 0.43 H new ATOM 0 HD11 LEU A 92 7.723 1.235 -1.555 1.00 0.47 H new ATOM 0 HD12 LEU A 92 8.378 -0.021 -2.633 1.00 0.47 H new ATOM 0 HD13 LEU A 92 7.262 1.208 -3.274 1.00 0.47 H new ATOM 0 HD21 LEU A 92 5.306 1.191 -0.909 1.00 0.53 H new ATOM 0 HD22 LEU A 92 4.850 1.165 -2.629 1.00 0.53 H new ATOM 0 HD23 LEU A 92 4.243 -0.095 -1.529 1.00 0.53 H new ATOM 1133 N LEU A 93 4.818 -4.001 -4.537 1.00 0.47 N ATOM 1134 CA LEU A 93 4.321 -4.681 -5.774 1.00 0.61 C ATOM 1135 C LEU A 93 2.840 -5.039 -5.580 1.00 0.53 C ATOM 1136 O LEU A 93 1.964 -4.608 -6.323 1.00 0.47 O ATOM 1137 CB LEU A 93 5.123 -5.967 -6.013 1.00 0.85 C ATOM 1138 CG LEU A 93 6.615 -5.640 -6.096 1.00 1.07 C ATOM 1139 CD1 LEU A 93 7.430 -6.932 -6.003 1.00 1.24 C ATOM 1140 CD2 LEU A 93 6.906 -4.951 -7.431 1.00 0.88 C ATOM 0 H LEU A 93 5.524 -4.515 -4.011 1.00 0.47 H new ATOM 0 HA LEU A 93 4.439 -4.018 -6.631 1.00 0.61 H new ATOM 0 HB2 LEU A 93 4.941 -6.675 -5.205 1.00 0.85 H new ATOM 0 HB3 LEU A 93 4.794 -6.445 -6.936 1.00 0.85 H new ATOM 0 HG LEU A 93 6.889 -4.980 -5.273 1.00 1.07 H new ATOM 0 HD11 LEU A 93 8.493 -6.697 -6.062 1.00 1.24 H new ATOM 0 HD12 LEU A 93 7.220 -7.427 -5.055 1.00 1.24 H new ATOM 0 HD13 LEU A 93 7.158 -7.594 -6.826 1.00 1.24 H new ATOM 0 HD21 LEU A 93 7.968 -4.716 -7.495 1.00 0.88 H new ATOM 0 HD22 LEU A 93 6.631 -5.615 -8.251 1.00 0.88 H new ATOM 0 HD23 LEU A 93 6.326 -4.031 -7.500 1.00 0.88 H new ATOM 1152 N GLU A 94 2.554 -5.818 -4.573 1.00 0.54 N ATOM 1153 CA GLU A 94 1.143 -6.196 -4.301 1.00 0.53 C ATOM 1154 C GLU A 94 0.356 -4.915 -4.035 1.00 0.43 C ATOM 1155 O GLU A 94 -0.764 -4.753 -4.471 1.00 0.46 O ATOM 1156 CB GLU A 94 1.087 -7.104 -3.070 1.00 0.59 C ATOM 1157 CG GLU A 94 1.249 -8.564 -3.499 1.00 0.63 C ATOM 1158 CD GLU A 94 0.324 -9.446 -2.659 1.00 1.05 C ATOM 1159 OE1 GLU A 94 0.339 -9.301 -1.448 1.00 1.69 O ATOM 1160 OE2 GLU A 94 -0.385 -10.250 -3.241 1.00 1.28 O ATOM 0 H GLU A 94 3.240 -6.209 -3.927 1.00 0.54 H new ATOM 0 HA GLU A 94 0.718 -6.730 -5.151 1.00 0.53 H new ATOM 0 HB2 GLU A 94 1.876 -6.831 -2.369 1.00 0.59 H new ATOM 0 HB3 GLU A 94 0.138 -6.971 -2.550 1.00 0.59 H new ATOM 0 HG2 GLU A 94 1.011 -8.672 -4.557 1.00 0.63 H new ATOM 0 HG3 GLU A 94 2.285 -8.879 -3.372 1.00 0.63 H new ATOM 1167 N PHE A 95 0.952 -3.991 -3.334 1.00 0.34 N ATOM 1168 CA PHE A 95 0.261 -2.706 -3.052 1.00 0.29 C ATOM 1169 C PHE A 95 -0.118 -2.052 -4.374 1.00 0.27 C ATOM 1170 O PHE A 95 -1.106 -1.362 -4.477 1.00 0.28 O ATOM 1171 CB PHE A 95 1.220 -1.782 -2.301 1.00 0.23 C ATOM 1172 CG PHE A 95 1.063 -1.968 -0.813 1.00 0.29 C ATOM 1173 CD1 PHE A 95 0.774 -3.232 -0.282 1.00 0.75 C ATOM 1174 CD2 PHE A 95 1.209 -0.869 0.037 1.00 0.54 C ATOM 1175 CE1 PHE A 95 0.631 -3.394 1.097 1.00 0.78 C ATOM 1176 CE2 PHE A 95 1.065 -1.028 1.416 1.00 0.59 C ATOM 1177 CZ PHE A 95 0.775 -2.291 1.950 1.00 0.43 C ATOM 0 H PHE A 95 1.891 -4.073 -2.944 1.00 0.34 H new ATOM 0 HA PHE A 95 -0.631 -2.885 -2.452 1.00 0.29 H new ATOM 0 HB2 PHE A 95 2.248 -1.995 -2.595 1.00 0.23 H new ATOM 0 HB3 PHE A 95 1.021 -0.744 -2.568 1.00 0.23 H new ATOM 0 HD1 PHE A 95 0.662 -4.081 -0.940 1.00 0.75 H new ATOM 0 HD2 PHE A 95 1.433 0.104 -0.373 1.00 0.54 H new ATOM 0 HE1 PHE A 95 0.410 -4.369 1.507 1.00 0.78 H new ATOM 0 HE2 PHE A 95 1.177 -0.177 2.072 1.00 0.59 H new ATOM 0 HZ PHE A 95 0.663 -2.414 3.017 1.00 0.43 H new ATOM 1187 N GLU A 96 0.678 -2.261 -5.383 1.00 0.28 N ATOM 1188 CA GLU A 96 0.394 -1.650 -6.709 1.00 0.29 C ATOM 1189 C GLU A 96 -0.909 -2.209 -7.272 1.00 0.32 C ATOM 1190 O GLU A 96 -1.744 -1.469 -7.741 1.00 0.34 O ATOM 1191 CB GLU A 96 1.538 -1.960 -7.668 1.00 0.32 C ATOM 1192 CG GLU A 96 2.070 -0.659 -8.271 1.00 0.44 C ATOM 1193 CD GLU A 96 0.941 0.070 -9.004 1.00 1.14 C ATOM 1194 OE1 GLU A 96 0.033 -0.600 -9.466 1.00 1.44 O ATOM 1195 OE2 GLU A 96 1.006 1.285 -9.092 1.00 1.72 O ATOM 0 H GLU A 96 1.521 -2.834 -5.345 1.00 0.28 H new ATOM 0 HA GLU A 96 0.298 -0.571 -6.592 1.00 0.29 H new ATOM 0 HB2 GLU A 96 2.337 -2.481 -7.140 1.00 0.32 H new ATOM 0 HB3 GLU A 96 1.192 -2.625 -8.460 1.00 0.32 H new ATOM 0 HG2 GLU A 96 2.477 -0.022 -7.485 1.00 0.44 H new ATOM 0 HG3 GLU A 96 2.886 -0.874 -8.961 1.00 0.44 H new ATOM 1202 N VAL A 97 -1.098 -3.506 -7.245 1.00 0.31 N ATOM 1203 CA VAL A 97 -2.380 -4.060 -7.800 1.00 0.33 C ATOM 1204 C VAL A 97 -3.562 -3.487 -7.003 1.00 0.32 C ATOM 1205 O VAL A 97 -4.598 -3.159 -7.555 1.00 0.31 O ATOM 1206 CB VAL A 97 -2.383 -5.601 -7.737 1.00 0.37 C ATOM 1207 CG1 VAL A 97 -2.166 -6.091 -6.305 1.00 0.37 C ATOM 1208 CG2 VAL A 97 -3.727 -6.133 -8.240 1.00 0.77 C ATOM 0 H VAL A 97 -0.441 -4.192 -6.874 1.00 0.31 H new ATOM 0 HA VAL A 97 -2.472 -3.770 -8.847 1.00 0.33 H new ATOM 0 HB VAL A 97 -1.570 -5.967 -8.364 1.00 0.37 H new ATOM 0 HG11 VAL A 97 -2.172 -7.181 -6.288 1.00 0.37 H new ATOM 0 HG12 VAL A 97 -1.206 -5.728 -5.938 1.00 0.37 H new ATOM 0 HG13 VAL A 97 -2.965 -5.714 -5.666 1.00 0.37 H new ATOM 0 HG21 VAL A 97 -3.727 -7.222 -8.195 1.00 0.77 H new ATOM 0 HG22 VAL A 97 -4.530 -5.744 -7.614 1.00 0.77 H new ATOM 0 HG23 VAL A 97 -3.883 -5.813 -9.270 1.00 0.77 H new ATOM 1218 N TYR A 98 -3.411 -3.328 -5.714 1.00 0.32 N ATOM 1219 CA TYR A 98 -4.519 -2.747 -4.908 1.00 0.30 C ATOM 1220 C TYR A 98 -4.657 -1.273 -5.286 1.00 0.26 C ATOM 1221 O TYR A 98 -5.724 -0.692 -5.216 1.00 0.20 O ATOM 1222 CB TYR A 98 -4.198 -2.890 -3.420 1.00 0.31 C ATOM 1223 CG TYR A 98 -4.070 -4.358 -3.090 1.00 0.25 C ATOM 1224 CD1 TYR A 98 -5.199 -5.186 -3.134 1.00 0.22 C ATOM 1225 CD2 TYR A 98 -2.822 -4.894 -2.755 1.00 0.32 C ATOM 1226 CE1 TYR A 98 -5.078 -6.549 -2.841 1.00 0.23 C ATOM 1227 CE2 TYR A 98 -2.702 -6.257 -2.462 1.00 0.31 C ATOM 1228 CZ TYR A 98 -3.830 -7.084 -2.505 1.00 0.25 C ATOM 1229 OH TYR A 98 -3.710 -8.427 -2.216 1.00 0.31 O ATOM 0 H TYR A 98 -2.572 -3.575 -5.189 1.00 0.32 H new ATOM 0 HA TYR A 98 -5.455 -3.268 -5.108 1.00 0.30 H new ATOM 0 HB2 TYR A 98 -3.272 -2.367 -3.182 1.00 0.31 H new ATOM 0 HB3 TYR A 98 -4.985 -2.435 -2.818 1.00 0.31 H new ATOM 0 HD1 TYR A 98 -6.162 -4.773 -3.394 1.00 0.22 H new ATOM 0 HD2 TYR A 98 -1.951 -4.256 -2.723 1.00 0.32 H new ATOM 0 HE1 TYR A 98 -5.948 -7.188 -2.874 1.00 0.23 H new ATOM 0 HE2 TYR A 98 -1.739 -6.671 -2.203 1.00 0.31 H new ATOM 0 HH TYR A 98 -2.776 -8.634 -2.004 1.00 0.31 H new ATOM 1239 N LEU A 99 -3.584 -0.677 -5.742 1.00 0.30 N ATOM 1240 CA LEU A 99 -3.649 0.738 -6.186 1.00 0.26 C ATOM 1241 C LEU A 99 -4.421 0.749 -7.496 1.00 0.24 C ATOM 1242 O LEU A 99 -5.126 1.684 -7.816 1.00 0.19 O ATOM 1243 CB LEU A 99 -2.237 1.281 -6.408 1.00 0.27 C ATOM 1244 CG LEU A 99 -1.542 1.448 -5.059 1.00 0.30 C ATOM 1245 CD1 LEU A 99 -0.026 1.403 -5.252 1.00 0.50 C ATOM 1246 CD2 LEU A 99 -1.935 2.791 -4.454 1.00 0.28 C ATOM 0 H LEU A 99 -2.666 -1.115 -5.824 1.00 0.30 H new ATOM 0 HA LEU A 99 -4.135 1.363 -5.437 1.00 0.26 H new ATOM 0 HB2 LEU A 99 -1.668 0.600 -7.041 1.00 0.27 H new ATOM 0 HB3 LEU A 99 -2.281 2.238 -6.928 1.00 0.27 H new ATOM 0 HG LEU A 99 -1.845 0.641 -4.392 1.00 0.30 H new ATOM 0 HD11 LEU A 99 0.467 1.522 -4.287 1.00 0.50 H new ATOM 0 HD12 LEU A 99 0.257 0.445 -5.688 1.00 0.50 H new ATOM 0 HD13 LEU A 99 0.280 2.209 -5.918 1.00 0.50 H new ATOM 0 HD21 LEU A 99 -1.441 2.914 -3.490 1.00 0.28 H new ATOM 0 HD22 LEU A 99 -1.630 3.595 -5.124 1.00 0.28 H new ATOM 0 HD23 LEU A 99 -3.016 2.825 -4.315 1.00 0.28 H new ATOM 1258 N GLU A 100 -4.338 -0.338 -8.225 1.00 0.29 N ATOM 1259 CA GLU A 100 -5.102 -0.468 -9.481 1.00 0.28 C ATOM 1260 C GLU A 100 -6.564 -0.336 -9.086 1.00 0.20 C ATOM 1261 O GLU A 100 -7.373 0.254 -9.775 1.00 0.17 O ATOM 1262 CB GLU A 100 -4.837 -1.858 -10.064 1.00 0.41 C ATOM 1263 CG GLU A 100 -4.749 -1.789 -11.587 1.00 0.38 C ATOM 1264 CD GLU A 100 -3.652 -0.804 -11.996 1.00 2.01 C ATOM 1265 OE1 GLU A 100 -2.751 -0.588 -11.201 1.00 3.42 O ATOM 1266 OE2 GLU A 100 -3.729 -0.285 -13.096 1.00 2.11 O ATOM 0 H GLU A 100 -3.762 -1.146 -7.990 1.00 0.29 H new ATOM 0 HA GLU A 100 -4.826 0.279 -10.225 1.00 0.28 H new ATOM 0 HB2 GLU A 100 -3.908 -2.259 -9.658 1.00 0.41 H new ATOM 0 HB3 GLU A 100 -5.634 -2.541 -9.770 1.00 0.41 H new ATOM 0 HG2 GLU A 100 -4.534 -2.777 -11.994 1.00 0.38 H new ATOM 0 HG3 GLU A 100 -5.707 -1.475 -12.002 1.00 0.38 H new ATOM 1273 N TYR A 101 -6.878 -0.864 -7.934 1.00 0.23 N ATOM 1274 CA TYR A 101 -8.254 -0.769 -7.406 1.00 0.25 C ATOM 1275 C TYR A 101 -8.628 0.699 -7.254 1.00 0.23 C ATOM 1276 O TYR A 101 -9.657 1.148 -7.718 1.00 0.27 O ATOM 1277 CB TYR A 101 -8.306 -1.441 -6.033 1.00 0.33 C ATOM 1278 CG TYR A 101 -9.472 -2.389 -5.988 1.00 0.31 C ATOM 1279 CD1 TYR A 101 -9.648 -3.308 -7.021 1.00 0.28 C ATOM 1280 CD2 TYR A 101 -10.375 -2.346 -4.921 1.00 0.32 C ATOM 1281 CE1 TYR A 101 -10.730 -4.189 -6.997 1.00 0.28 C ATOM 1282 CE2 TYR A 101 -11.460 -3.230 -4.892 1.00 0.32 C ATOM 1283 CZ TYR A 101 -11.638 -4.152 -5.932 1.00 0.30 C ATOM 1284 OH TYR A 101 -12.709 -5.021 -5.907 1.00 0.31 O ATOM 0 H TYR A 101 -6.223 -1.364 -7.333 1.00 0.23 H new ATOM 0 HA TYR A 101 -8.949 -1.260 -8.088 1.00 0.25 H new ATOM 0 HB2 TYR A 101 -7.377 -1.979 -5.843 1.00 0.33 H new ATOM 0 HB3 TYR A 101 -8.404 -0.689 -5.250 1.00 0.33 H new ATOM 0 HD1 TYR A 101 -8.946 -3.338 -7.841 1.00 0.28 H new ATOM 0 HD2 TYR A 101 -10.236 -1.633 -4.122 1.00 0.32 H new ATOM 0 HE1 TYR A 101 -10.867 -4.899 -7.799 1.00 0.28 H new ATOM 0 HE2 TYR A 101 -12.159 -3.201 -4.069 1.00 0.32 H new ATOM 0 HH TYR A 101 -13.099 -5.034 -5.008 1.00 0.31 H new ATOM 1294 N LEU A 102 -7.803 1.438 -6.579 1.00 0.22 N ATOM 1295 CA LEU A 102 -8.098 2.877 -6.353 1.00 0.24 C ATOM 1296 C LEU A 102 -7.475 3.725 -7.463 1.00 0.28 C ATOM 1297 O LEU A 102 -7.335 4.922 -7.327 1.00 0.44 O ATOM 1298 CB LEU A 102 -7.523 3.303 -4.998 1.00 0.23 C ATOM 1299 CG LEU A 102 -7.779 2.210 -3.950 1.00 0.24 C ATOM 1300 CD1 LEU A 102 -6.501 1.955 -3.155 1.00 0.24 C ATOM 1301 CD2 LEU A 102 -8.891 2.663 -3.010 1.00 0.26 C ATOM 0 H LEU A 102 -6.929 1.107 -6.170 1.00 0.22 H new ATOM 0 HA LEU A 102 -9.178 3.026 -6.360 1.00 0.24 H new ATOM 0 HB2 LEU A 102 -6.452 3.486 -5.090 1.00 0.23 H new ATOM 0 HB3 LEU A 102 -7.980 4.239 -4.678 1.00 0.23 H new ATOM 0 HG LEU A 102 -8.080 1.288 -4.448 1.00 0.24 H new ATOM 0 HD11 LEU A 102 -6.684 1.179 -2.411 1.00 0.24 H new ATOM 0 HD12 LEU A 102 -5.710 1.630 -3.831 1.00 0.24 H new ATOM 0 HD13 LEU A 102 -6.195 2.873 -2.654 1.00 0.24 H new ATOM 0 HD21 LEU A 102 -9.075 1.889 -2.265 1.00 0.26 H new ATOM 0 HD22 LEU A 102 -8.592 3.584 -2.510 1.00 0.26 H new ATOM 0 HD23 LEU A 102 -9.802 2.840 -3.582 1.00 0.26 H new ATOM 1313 N GLN A 103 -7.097 3.126 -8.561 1.00 0.18 N ATOM 1314 CA GLN A 103 -6.486 3.925 -9.658 1.00 0.27 C ATOM 1315 C GLN A 103 -7.569 4.338 -10.658 1.00 0.32 C ATOM 1316 O GLN A 103 -7.475 5.366 -11.299 1.00 0.47 O ATOM 1317 CB GLN A 103 -5.422 3.093 -10.379 1.00 0.29 C ATOM 1318 CG GLN A 103 -4.731 3.958 -11.435 1.00 0.32 C ATOM 1319 CD GLN A 103 -3.607 3.159 -12.099 1.00 1.16 C ATOM 1320 OE1 GLN A 103 -2.997 2.314 -11.474 1.00 2.20 O ATOM 1321 NE2 GLN A 103 -3.306 3.390 -13.349 1.00 1.03 N ATOM 0 H GLN A 103 -7.185 2.126 -8.743 1.00 0.18 H new ATOM 0 HA GLN A 103 -6.022 4.815 -9.233 1.00 0.27 H new ATOM 0 HB2 GLN A 103 -4.690 2.719 -9.663 1.00 0.29 H new ATOM 0 HB3 GLN A 103 -5.881 2.223 -10.849 1.00 0.29 H new ATOM 0 HG2 GLN A 103 -5.453 4.280 -12.185 1.00 0.32 H new ATOM 0 HG3 GLN A 103 -4.327 4.859 -10.974 1.00 0.32 H new ATOM 0 HE21 GLN A 103 -3.818 4.099 -13.874 1.00 1.03 H new ATOM 0 HE22 GLN A 103 -2.559 2.861 -13.800 1.00 1.03 H new ATOM 1330 N ASN A 104 -8.591 3.540 -10.801 1.00 0.38 N ATOM 1331 CA ASN A 104 -9.674 3.882 -11.769 1.00 0.46 C ATOM 1332 C ASN A 104 -11.039 3.811 -11.074 1.00 0.47 C ATOM 1333 O ASN A 104 -11.968 4.501 -11.444 1.00 0.51 O ATOM 1334 CB ASN A 104 -9.640 2.885 -12.929 1.00 0.57 C ATOM 1335 CG ASN A 104 -9.997 3.600 -14.232 1.00 0.61 C ATOM 1336 OD1 ASN A 104 -9.943 4.811 -14.310 1.00 1.08 O ATOM 1337 ND2 ASN A 104 -10.362 2.895 -15.269 1.00 0.90 N ATOM 0 H ASN A 104 -8.724 2.667 -10.291 1.00 0.38 H new ATOM 0 HA ASN A 104 -9.519 4.894 -12.144 1.00 0.46 H new ATOM 0 HB2 ASN A 104 -8.649 2.437 -13.008 1.00 0.57 H new ATOM 0 HB3 ASN A 104 -10.343 2.073 -12.744 1.00 0.57 H new ATOM 0 HD21 ASN A 104 -10.602 3.361 -16.144 1.00 0.90 H new ATOM 0 HD22 ASN A 104 -10.407 1.878 -15.204 1.00 0.90 H new ATOM 1344 N ARG A 105 -11.169 2.983 -10.074 1.00 0.47 N ATOM 1345 CA ARG A 105 -12.470 2.868 -9.363 1.00 0.54 C ATOM 1346 C ARG A 105 -12.867 4.229 -8.790 1.00 0.48 C ATOM 1347 O ARG A 105 -14.031 4.572 -8.732 1.00 0.62 O ATOM 1348 CB ARG A 105 -12.333 1.859 -8.221 1.00 0.58 C ATOM 1349 CG ARG A 105 -13.717 1.360 -7.815 1.00 0.43 C ATOM 1350 CD ARG A 105 -14.023 1.809 -6.384 1.00 1.15 C ATOM 1351 NE ARG A 105 -15.400 1.383 -6.010 1.00 1.57 N ATOM 1352 CZ ARG A 105 -16.148 2.161 -5.277 1.00 2.39 C ATOM 1353 NH1 ARG A 105 -15.893 2.305 -4.006 1.00 3.18 N ATOM 1354 NH2 ARG A 105 -17.152 2.798 -5.817 1.00 2.82 N ATOM 0 H ARG A 105 -10.427 2.380 -9.719 1.00 0.47 H new ATOM 0 HA ARG A 105 -13.236 2.533 -10.062 1.00 0.54 H new ATOM 0 HB2 ARG A 105 -11.710 1.021 -8.534 1.00 0.58 H new ATOM 0 HB3 ARG A 105 -11.837 2.323 -7.368 1.00 0.58 H new ATOM 0 HG2 ARG A 105 -14.471 1.750 -8.499 1.00 0.43 H new ATOM 0 HG3 ARG A 105 -13.757 0.273 -7.883 1.00 0.43 H new ATOM 0 HD2 ARG A 105 -13.298 1.377 -5.694 1.00 1.15 H new ATOM 0 HD3 ARG A 105 -13.933 2.892 -6.305 1.00 1.15 H new ATOM 0 HE ARG A 105 -15.759 0.482 -6.327 1.00 1.57 H new ATOM 0 HH11 ARG A 105 -15.108 1.809 -3.584 1.00 3.18 H new ATOM 0 HH12 ARG A 105 -16.479 2.914 -3.434 1.00 3.18 H new ATOM 0 HH21 ARG A 105 -17.351 2.687 -6.811 1.00 2.82 H new ATOM 0 HH22 ARG A 105 -17.737 3.406 -5.245 1.00 2.82 H new ATOM 1368 N PHE A 106 -11.909 5.004 -8.359 1.00 0.36 N ATOM 1369 CA PHE A 106 -12.239 6.339 -7.783 1.00 0.36 C ATOM 1370 C PHE A 106 -12.568 7.320 -8.909 1.00 0.32 C ATOM 1371 O PHE A 106 -11.708 8.013 -9.415 1.00 0.38 O ATOM 1372 CB PHE A 106 -11.046 6.855 -6.976 1.00 0.41 C ATOM 1373 CG PHE A 106 -11.111 6.290 -5.575 1.00 0.72 C ATOM 1374 CD1 PHE A 106 -11.372 4.928 -5.381 1.00 2.34 C ATOM 1375 CD2 PHE A 106 -10.913 7.128 -4.470 1.00 0.73 C ATOM 1376 CE1 PHE A 106 -11.436 4.404 -4.086 1.00 2.64 C ATOM 1377 CE2 PHE A 106 -10.978 6.603 -3.173 1.00 0.52 C ATOM 1378 CZ PHE A 106 -11.239 5.241 -2.981 1.00 1.32 C ATOM 0 H PHE A 106 -10.916 4.772 -8.381 1.00 0.36 H new ATOM 0 HA PHE A 106 -13.105 6.247 -7.127 1.00 0.36 H new ATOM 0 HB2 PHE A 106 -10.113 6.561 -7.456 1.00 0.41 H new ATOM 0 HB3 PHE A 106 -11.058 7.944 -6.942 1.00 0.41 H new ATOM 0 HD1 PHE A 106 -11.524 4.281 -6.233 1.00 2.34 H new ATOM 0 HD2 PHE A 106 -10.710 8.178 -4.618 1.00 0.73 H new ATOM 0 HE1 PHE A 106 -11.637 3.353 -3.938 1.00 2.64 H new ATOM 0 HE2 PHE A 106 -10.827 7.249 -2.321 1.00 0.52 H new ATOM 0 HZ PHE A 106 -11.288 4.836 -1.981 1.00 1.32 H new ATOM 1388 N GLU A 107 -13.812 7.388 -9.298 1.00 0.26 N ATOM 1389 CA GLU A 107 -14.205 8.328 -10.385 1.00 0.27 C ATOM 1390 C GLU A 107 -14.678 9.652 -9.777 1.00 0.23 C ATOM 1391 O GLU A 107 -14.781 10.653 -10.457 1.00 0.23 O ATOM 1392 CB GLU A 107 -15.339 7.713 -11.208 1.00 0.43 C ATOM 1393 CG GLU A 107 -16.476 7.287 -10.277 1.00 0.71 C ATOM 1394 CD GLU A 107 -17.820 7.642 -10.917 1.00 0.58 C ATOM 1395 OE1 GLU A 107 -18.253 6.905 -11.787 1.00 0.73 O ATOM 1396 OE2 GLU A 107 -18.393 8.646 -10.526 1.00 1.31 O ATOM 0 H GLU A 107 -14.574 6.832 -8.909 1.00 0.26 H new ATOM 0 HA GLU A 107 -13.345 8.512 -11.029 1.00 0.27 H new ATOM 0 HB2 GLU A 107 -15.705 8.435 -11.938 1.00 0.43 H new ATOM 0 HB3 GLU A 107 -14.971 6.852 -11.767 1.00 0.43 H new ATOM 0 HG2 GLU A 107 -16.423 6.215 -10.088 1.00 0.71 H new ATOM 0 HG3 GLU A 107 -16.377 7.786 -9.313 1.00 0.71 H new ATOM 1403 N SER A 108 -14.958 9.670 -8.501 1.00 0.32 N ATOM 1404 CA SER A 108 -15.412 10.933 -7.856 1.00 0.44 C ATOM 1405 C SER A 108 -14.181 11.690 -7.366 1.00 0.45 C ATOM 1406 O SER A 108 -14.050 12.883 -7.554 1.00 0.53 O ATOM 1407 CB SER A 108 -16.326 10.606 -6.675 1.00 0.59 C ATOM 1408 OG SER A 108 -17.682 10.767 -7.072 1.00 0.75 O ATOM 0 H SER A 108 -14.892 8.864 -7.879 1.00 0.32 H new ATOM 0 HA SER A 108 -15.966 11.544 -8.569 1.00 0.44 H new ATOM 0 HB2 SER A 108 -16.153 9.584 -6.338 1.00 0.59 H new ATOM 0 HB3 SER A 108 -16.101 11.262 -5.834 1.00 0.59 H new ATOM 0 HG SER A 108 -18.271 10.556 -6.318 1.00 0.75 H new ATOM 1414 N SER A 109 -13.265 10.991 -6.759 1.00 0.41 N ATOM 1415 CA SER A 109 -12.019 11.642 -6.275 1.00 0.44 C ATOM 1416 C SER A 109 -10.860 11.110 -7.113 1.00 0.33 C ATOM 1417 O SER A 109 -9.755 10.944 -6.638 1.00 0.31 O ATOM 1418 CB SER A 109 -11.791 11.297 -4.802 1.00 0.48 C ATOM 1419 OG SER A 109 -10.881 12.234 -4.237 1.00 0.54 O ATOM 0 H SER A 109 -13.327 9.989 -6.576 1.00 0.41 H new ATOM 0 HA SER A 109 -12.094 12.725 -6.369 1.00 0.44 H new ATOM 0 HB2 SER A 109 -12.737 11.319 -4.261 1.00 0.48 H new ATOM 0 HB3 SER A 109 -11.394 10.286 -4.710 1.00 0.48 H new ATOM 0 HG SER A 109 -10.867 12.130 -3.263 1.00 0.54 H new ATOM 1425 N GLU A 110 -11.125 10.825 -8.362 1.00 0.32 N ATOM 1426 CA GLU A 110 -10.077 10.279 -9.269 1.00 0.29 C ATOM 1427 C GLU A 110 -8.764 11.051 -9.108 1.00 0.39 C ATOM 1428 O GLU A 110 -7.702 10.472 -8.992 1.00 0.43 O ATOM 1429 CB GLU A 110 -10.557 10.401 -10.717 1.00 0.32 C ATOM 1430 CG GLU A 110 -9.748 9.455 -11.605 1.00 0.29 C ATOM 1431 CD GLU A 110 -10.325 9.458 -13.026 1.00 0.31 C ATOM 1432 OE1 GLU A 110 -11.220 10.247 -13.283 1.00 0.75 O ATOM 1433 OE2 GLU A 110 -9.859 8.670 -13.833 1.00 0.34 O ATOM 0 H GLU A 110 -12.039 10.951 -8.797 1.00 0.32 H new ATOM 0 HA GLU A 110 -9.901 9.234 -9.014 1.00 0.29 H new ATOM 0 HB2 GLU A 110 -11.618 10.159 -10.781 1.00 0.32 H new ATOM 0 HB3 GLU A 110 -10.443 11.428 -11.064 1.00 0.32 H new ATOM 0 HG2 GLU A 110 -8.703 9.765 -11.626 1.00 0.29 H new ATOM 0 HG3 GLU A 110 -9.773 8.446 -11.194 1.00 0.29 H new ATOM 1440 N GLU A 111 -8.825 12.355 -9.106 1.00 0.50 N ATOM 1441 CA GLU A 111 -7.579 13.164 -8.961 1.00 0.63 C ATOM 1442 C GLU A 111 -6.769 12.672 -7.757 1.00 0.48 C ATOM 1443 O GLU A 111 -5.575 12.464 -7.845 1.00 0.47 O ATOM 1444 CB GLU A 111 -7.948 14.635 -8.758 1.00 0.82 C ATOM 1445 CG GLU A 111 -6.942 15.521 -9.496 1.00 0.90 C ATOM 1446 CD GLU A 111 -7.684 16.663 -10.192 1.00 0.84 C ATOM 1447 OE1 GLU A 111 -8.800 16.439 -10.629 1.00 1.28 O ATOM 1448 OE2 GLU A 111 -7.123 17.743 -10.273 1.00 1.39 O ATOM 0 H GLU A 111 -9.684 12.896 -9.199 1.00 0.50 H new ATOM 0 HA GLU A 111 -6.978 13.056 -9.864 1.00 0.63 H new ATOM 0 HB2 GLU A 111 -8.955 14.823 -9.130 1.00 0.82 H new ATOM 0 HB3 GLU A 111 -7.950 14.877 -7.695 1.00 0.82 H new ATOM 0 HG2 GLU A 111 -6.211 15.922 -8.794 1.00 0.90 H new ATOM 0 HG3 GLU A 111 -6.390 14.931 -10.228 1.00 0.90 H new ATOM 1455 N GLN A 112 -7.405 12.482 -6.633 1.00 0.41 N ATOM 1456 CA GLN A 112 -6.664 12.005 -5.433 1.00 0.29 C ATOM 1457 C GLN A 112 -6.095 10.615 -5.710 1.00 0.19 C ATOM 1458 O GLN A 112 -4.938 10.343 -5.459 1.00 0.29 O ATOM 1459 CB GLN A 112 -7.617 11.942 -4.240 1.00 0.33 C ATOM 1460 CG GLN A 112 -8.253 13.318 -4.029 1.00 0.43 C ATOM 1461 CD GLN A 112 -7.221 14.269 -3.420 1.00 0.45 C ATOM 1462 OE1 GLN A 112 -6.385 13.859 -2.640 1.00 1.02 O ATOM 1463 NE2 GLN A 112 -7.244 15.532 -3.749 1.00 1.23 N ATOM 0 H GLN A 112 -8.404 12.636 -6.495 1.00 0.41 H new ATOM 0 HA GLN A 112 -5.848 12.692 -5.208 1.00 0.29 H new ATOM 0 HB2 GLN A 112 -8.390 11.194 -4.416 1.00 0.33 H new ATOM 0 HB3 GLN A 112 -7.077 11.637 -3.344 1.00 0.33 H new ATOM 0 HG2 GLN A 112 -8.612 13.714 -4.979 1.00 0.43 H new ATOM 0 HG3 GLN A 112 -9.118 13.234 -3.371 1.00 0.43 H new ATOM 0 HE21 GLN A 112 -7.946 15.876 -4.404 1.00 1.23 H new ATOM 0 HE22 GLN A 112 -6.560 16.175 -3.351 1.00 1.23 H new ATOM 1472 N ALA A 113 -6.898 9.732 -6.238 1.00 0.21 N ATOM 1473 CA ALA A 113 -6.403 8.361 -6.545 1.00 0.19 C ATOM 1474 C ALA A 113 -5.170 8.466 -7.450 1.00 0.36 C ATOM 1475 O ALA A 113 -4.344 7.575 -7.501 1.00 0.46 O ATOM 1476 CB ALA A 113 -7.500 7.578 -7.269 1.00 0.19 C ATOM 0 H ALA A 113 -7.877 9.902 -6.470 1.00 0.21 H new ATOM 0 HA ALA A 113 -6.139 7.847 -5.621 1.00 0.19 H new ATOM 0 HB1 ALA A 113 -7.141 6.574 -7.495 1.00 0.19 H new ATOM 0 HB2 ALA A 113 -8.382 7.513 -6.632 1.00 0.19 H new ATOM 0 HB3 ALA A 113 -7.759 8.088 -8.197 1.00 0.19 H new ATOM 1482 N ARG A 114 -5.042 9.555 -8.164 1.00 0.64 N ATOM 1483 CA ARG A 114 -3.870 9.728 -9.069 1.00 0.80 C ATOM 1484 C ARG A 114 -2.642 10.124 -8.252 1.00 0.61 C ATOM 1485 O ARG A 114 -1.564 9.612 -8.455 1.00 0.41 O ATOM 1486 CB ARG A 114 -4.172 10.832 -10.084 1.00 1.13 C ATOM 1487 CG ARG A 114 -3.381 10.576 -11.368 1.00 1.37 C ATOM 1488 CD ARG A 114 -4.352 10.243 -12.502 1.00 0.68 C ATOM 1489 NE ARG A 114 -3.583 9.931 -13.740 1.00 0.59 N ATOM 1490 CZ ARG A 114 -2.719 10.792 -14.206 1.00 1.61 C ATOM 1491 NH1 ARG A 114 -3.086 12.023 -14.442 1.00 2.43 N ATOM 1492 NH2 ARG A 114 -1.490 10.420 -14.437 1.00 2.28 N ATOM 0 H ARG A 114 -5.702 10.333 -8.158 1.00 0.64 H new ATOM 0 HA ARG A 114 -3.675 8.790 -9.588 1.00 0.80 H new ATOM 0 HB2 ARG A 114 -5.240 10.858 -10.301 1.00 1.13 H new ATOM 0 HB3 ARG A 114 -3.907 11.804 -9.669 1.00 1.13 H new ATOM 0 HG2 ARG A 114 -2.790 11.455 -11.626 1.00 1.37 H new ATOM 0 HG3 ARG A 114 -2.681 9.754 -11.220 1.00 1.37 H new ATOM 0 HD2 ARG A 114 -4.975 9.393 -12.224 1.00 0.68 H new ATOM 0 HD3 ARG A 114 -5.022 11.084 -12.680 1.00 0.68 H new ATOM 0 HE ARG A 114 -3.732 9.045 -14.223 1.00 0.59 H new ATOM 0 HH11 ARG A 114 -4.048 12.312 -14.262 1.00 2.43 H new ATOM 0 HH12 ARG A 114 -2.411 12.696 -14.806 1.00 2.43 H new ATOM 0 HH21 ARG A 114 -1.205 9.458 -14.254 1.00 2.28 H new ATOM 0 HH22 ARG A 114 -0.814 11.091 -14.801 1.00 2.28 H new ATOM 1506 N ALA A 115 -2.791 11.041 -7.338 1.00 0.69 N ATOM 1507 CA ALA A 115 -1.622 11.472 -6.521 1.00 0.55 C ATOM 1508 C ALA A 115 -1.123 10.305 -5.662 1.00 0.36 C ATOM 1509 O ALA A 115 -0.013 10.318 -5.171 1.00 0.41 O ATOM 1510 CB ALA A 115 -2.038 12.630 -5.613 1.00 0.65 C ATOM 0 H ALA A 115 -3.670 11.510 -7.121 1.00 0.69 H new ATOM 0 HA ALA A 115 -0.820 11.794 -7.186 1.00 0.55 H new ATOM 0 HB1 ALA A 115 -1.184 12.947 -5.014 1.00 0.65 H new ATOM 0 HB2 ALA A 115 -2.384 13.465 -6.223 1.00 0.65 H new ATOM 0 HB3 ALA A 115 -2.843 12.305 -4.954 1.00 0.65 H new ATOM 1516 N VAL A 116 -1.935 9.302 -5.467 1.00 0.33 N ATOM 1517 CA VAL A 116 -1.501 8.147 -4.629 1.00 0.33 C ATOM 1518 C VAL A 116 -0.844 7.072 -5.497 1.00 0.41 C ATOM 1519 O VAL A 116 0.079 6.405 -5.076 1.00 0.39 O ATOM 1520 CB VAL A 116 -2.717 7.549 -3.926 1.00 0.48 C ATOM 1521 CG1 VAL A 116 -2.270 6.373 -3.054 1.00 1.28 C ATOM 1522 CG2 VAL A 116 -3.373 8.619 -3.053 1.00 1.98 C ATOM 0 H VAL A 116 -2.878 9.232 -5.850 1.00 0.33 H new ATOM 0 HA VAL A 116 -0.777 8.499 -3.894 1.00 0.33 H new ATOM 0 HB VAL A 116 -3.435 7.197 -4.667 1.00 0.48 H new ATOM 0 HG11 VAL A 116 -3.136 5.944 -2.550 1.00 1.28 H new ATOM 0 HG12 VAL A 116 -1.801 5.614 -3.680 1.00 1.28 H new ATOM 0 HG13 VAL A 116 -1.554 6.723 -2.310 1.00 1.28 H new ATOM 0 HG21 VAL A 116 -4.242 8.195 -2.549 1.00 1.98 H new ATOM 0 HG22 VAL A 116 -2.658 8.970 -2.309 1.00 1.98 H new ATOM 0 HG23 VAL A 116 -3.688 9.455 -3.677 1.00 1.98 H new ATOM 1532 N GLN A 117 -1.319 6.879 -6.697 1.00 0.55 N ATOM 1533 CA GLN A 117 -0.719 5.827 -7.567 1.00 0.61 C ATOM 1534 C GLN A 117 0.596 6.330 -8.168 1.00 0.59 C ATOM 1535 O GLN A 117 1.486 5.560 -8.471 1.00 0.89 O ATOM 1536 CB GLN A 117 -1.699 5.469 -8.690 1.00 0.67 C ATOM 1537 CG GLN A 117 -2.013 6.713 -9.525 1.00 2.72 C ATOM 1538 CD GLN A 117 -1.670 6.441 -10.990 1.00 2.47 C ATOM 1539 OE1 GLN A 117 -0.773 5.674 -11.283 1.00 1.70 O ATOM 1540 NE2 GLN A 117 -2.350 7.040 -11.930 1.00 3.64 N ATOM 0 H GLN A 117 -2.092 7.400 -7.111 1.00 0.55 H new ATOM 0 HA GLN A 117 -0.517 4.940 -6.967 1.00 0.61 H new ATOM 0 HB2 GLN A 117 -1.271 4.693 -9.325 1.00 0.67 H new ATOM 0 HB3 GLN A 117 -2.618 5.063 -8.267 1.00 0.67 H new ATOM 0 HG2 GLN A 117 -3.067 6.972 -9.429 1.00 2.72 H new ATOM 0 HG3 GLN A 117 -1.440 7.565 -9.158 1.00 2.72 H new ATOM 0 HE21 GLN A 117 -3.102 7.683 -11.684 1.00 3.64 H new ATOM 0 HE22 GLN A 117 -2.129 6.865 -12.910 1.00 3.64 H new ATOM 1549 N MET A 118 0.732 7.616 -8.337 1.00 0.53 N ATOM 1550 CA MET A 118 1.992 8.156 -8.915 1.00 0.56 C ATOM 1551 C MET A 118 3.082 8.137 -7.846 1.00 0.45 C ATOM 1552 O MET A 118 4.203 7.745 -8.098 1.00 0.45 O ATOM 1553 CB MET A 118 1.766 9.594 -9.395 1.00 0.64 C ATOM 1554 CG MET A 118 0.730 9.609 -10.523 1.00 0.71 C ATOM 1555 SD MET A 118 1.249 10.777 -11.805 1.00 1.50 S ATOM 1556 CE MET A 118 0.304 12.201 -11.207 1.00 2.33 C ATOM 0 H MET A 118 0.027 8.314 -8.100 1.00 0.53 H new ATOM 0 HA MET A 118 2.298 7.542 -9.762 1.00 0.56 H new ATOM 0 HB2 MET A 118 1.424 10.214 -8.566 1.00 0.64 H new ATOM 0 HB3 MET A 118 2.705 10.022 -9.746 1.00 0.64 H new ATOM 0 HG2 MET A 118 0.624 8.611 -10.947 1.00 0.71 H new ATOM 0 HG3 MET A 118 -0.246 9.894 -10.131 1.00 0.71 H new ATOM 0 HE1 MET A 118 0.877 13.113 -11.372 1.00 2.33 H new ATOM 0 HE2 MET A 118 -0.641 12.263 -11.747 1.00 2.33 H new ATOM 0 HE3 MET A 118 0.106 12.085 -10.141 1.00 2.33 H new ATOM 1566 N SER A 119 2.761 8.550 -6.652 1.00 0.38 N ATOM 1567 CA SER A 119 3.778 8.546 -5.565 1.00 0.31 C ATOM 1568 C SER A 119 4.123 7.097 -5.215 1.00 0.24 C ATOM 1569 O SER A 119 5.272 6.746 -5.037 1.00 0.30 O ATOM 1570 CB SER A 119 3.212 9.253 -4.334 1.00 0.31 C ATOM 1571 OG SER A 119 3.916 10.470 -4.125 1.00 0.73 O ATOM 0 H SER A 119 1.838 8.890 -6.382 1.00 0.38 H new ATOM 0 HA SER A 119 4.676 9.068 -5.895 1.00 0.31 H new ATOM 0 HB2 SER A 119 2.150 9.453 -4.472 1.00 0.31 H new ATOM 0 HB3 SER A 119 3.304 8.611 -3.458 1.00 0.31 H new ATOM 0 HG SER A 119 3.276 11.203 -4.012 1.00 0.73 H new ATOM 1577 N THR A 120 3.134 6.251 -5.126 1.00 0.26 N ATOM 1578 CA THR A 120 3.397 4.822 -4.801 1.00 0.34 C ATOM 1579 C THR A 120 4.218 4.202 -5.932 1.00 0.34 C ATOM 1580 O THR A 120 4.974 3.273 -5.729 1.00 0.33 O ATOM 1581 CB THR A 120 2.068 4.081 -4.653 1.00 0.49 C ATOM 1582 OG1 THR A 120 1.299 4.251 -5.835 1.00 1.32 O ATOM 1583 CG2 THR A 120 1.303 4.649 -3.456 1.00 1.07 C ATOM 0 H THR A 120 2.152 6.489 -5.265 1.00 0.26 H new ATOM 0 HA THR A 120 3.950 4.746 -3.865 1.00 0.34 H new ATOM 0 HB THR A 120 2.255 3.019 -4.493 1.00 0.49 H new ATOM 0 HG1 THR A 120 0.914 5.152 -5.848 1.00 1.32 H new ATOM 0 HG21 THR A 120 0.355 4.123 -3.347 1.00 1.07 H new ATOM 0 HG22 THR A 120 1.896 4.519 -2.551 1.00 1.07 H new ATOM 0 HG23 THR A 120 1.113 5.710 -3.616 1.00 1.07 H new ATOM 1591 N LYS A 121 4.094 4.732 -7.118 1.00 0.36 N ATOM 1592 CA LYS A 121 4.886 4.203 -8.262 1.00 0.39 C ATOM 1593 C LYS A 121 6.284 4.823 -8.182 1.00 0.35 C ATOM 1594 O LYS A 121 7.251 4.279 -8.678 1.00 0.44 O ATOM 1595 CB LYS A 121 4.195 4.601 -9.574 1.00 0.45 C ATOM 1596 CG LYS A 121 5.107 4.310 -10.769 1.00 1.60 C ATOM 1597 CD LYS A 121 5.422 2.813 -10.824 1.00 1.37 C ATOM 1598 CE LYS A 121 4.927 2.233 -12.151 1.00 0.97 C ATOM 1599 NZ LYS A 121 5.358 3.119 -13.269 1.00 1.84 N ATOM 0 H LYS A 121 3.476 5.511 -7.344 1.00 0.36 H new ATOM 0 HA LYS A 121 4.960 3.116 -8.226 1.00 0.39 H new ATOM 0 HB2 LYS A 121 3.259 4.052 -9.681 1.00 0.45 H new ATOM 0 HB3 LYS A 121 3.942 5.661 -9.552 1.00 0.45 H new ATOM 0 HG2 LYS A 121 4.623 4.624 -11.694 1.00 1.60 H new ATOM 0 HG3 LYS A 121 6.030 4.883 -10.682 1.00 1.60 H new ATOM 0 HD2 LYS A 121 6.495 2.653 -10.723 1.00 1.37 H new ATOM 0 HD3 LYS A 121 4.944 2.299 -9.990 1.00 1.37 H new ATOM 0 HE2 LYS A 121 5.326 1.229 -12.293 1.00 0.97 H new ATOM 0 HE3 LYS A 121 3.841 2.145 -12.140 1.00 0.97 H new ATOM 0 HZ1 LYS A 121 5.562 2.542 -14.110 1.00 1.84 H new ATOM 0 HZ2 LYS A 121 4.599 3.795 -13.488 1.00 1.84 H new ATOM 0 HZ3 LYS A 121 6.214 3.639 -12.990 1.00 1.84 H new ATOM 1613 N VAL A 122 6.389 5.958 -7.544 1.00 0.32 N ATOM 1614 CA VAL A 122 7.705 6.628 -7.402 1.00 0.34 C ATOM 1615 C VAL A 122 8.560 5.850 -6.398 1.00 0.26 C ATOM 1616 O VAL A 122 9.770 5.868 -6.460 1.00 0.26 O ATOM 1617 CB VAL A 122 7.479 8.055 -6.897 1.00 0.45 C ATOM 1618 CG1 VAL A 122 8.823 8.727 -6.635 1.00 0.54 C ATOM 1619 CG2 VAL A 122 6.711 8.852 -7.954 1.00 0.55 C ATOM 0 H VAL A 122 5.608 6.451 -7.112 1.00 0.32 H new ATOM 0 HA VAL A 122 8.219 6.658 -8.363 1.00 0.34 H new ATOM 0 HB VAL A 122 6.904 8.023 -5.971 1.00 0.45 H new ATOM 0 HG11 VAL A 122 8.658 9.743 -6.276 1.00 0.54 H new ATOM 0 HG12 VAL A 122 9.372 8.161 -5.883 1.00 0.54 H new ATOM 0 HG13 VAL A 122 9.400 8.758 -7.559 1.00 0.54 H new ATOM 0 HG21 VAL A 122 6.549 9.869 -7.596 1.00 0.55 H new ATOM 0 HG22 VAL A 122 7.288 8.880 -8.879 1.00 0.55 H new ATOM 0 HG23 VAL A 122 5.749 8.375 -8.141 1.00 0.55 H new ATOM 1629 N LEU A 123 7.939 5.171 -5.470 1.00 0.24 N ATOM 1630 CA LEU A 123 8.720 4.394 -4.464 1.00 0.28 C ATOM 1631 C LEU A 123 9.105 3.038 -5.059 1.00 0.31 C ATOM 1632 O LEU A 123 10.089 2.433 -4.680 1.00 0.40 O ATOM 1633 CB LEU A 123 7.863 4.164 -3.215 1.00 0.33 C ATOM 1634 CG LEU A 123 8.039 5.333 -2.247 1.00 0.37 C ATOM 1635 CD1 LEU A 123 9.505 5.436 -1.825 1.00 0.82 C ATOM 1636 CD2 LEU A 123 7.615 6.630 -2.937 1.00 0.13 C ATOM 0 H LEU A 123 6.926 5.121 -5.365 1.00 0.24 H new ATOM 0 HA LEU A 123 9.618 4.951 -4.196 1.00 0.28 H new ATOM 0 HB2 LEU A 123 6.814 4.066 -3.495 1.00 0.33 H new ATOM 0 HB3 LEU A 123 8.152 3.231 -2.730 1.00 0.33 H new ATOM 0 HG LEU A 123 7.421 5.169 -1.364 1.00 0.37 H new ATOM 0 HD11 LEU A 123 9.627 6.271 -1.135 1.00 0.82 H new ATOM 0 HD12 LEU A 123 9.808 4.511 -1.334 1.00 0.82 H new ATOM 0 HD13 LEU A 123 10.126 5.599 -2.705 1.00 0.82 H new ATOM 0 HD21 LEU A 123 7.740 7.466 -2.249 1.00 0.13 H new ATOM 0 HD22 LEU A 123 8.234 6.792 -3.820 1.00 0.13 H new ATOM 0 HD23 LEU A 123 6.569 6.558 -3.235 1.00 0.13 H new ATOM 1648 N ILE A 124 8.326 2.556 -5.984 1.00 0.31 N ATOM 1649 CA ILE A 124 8.622 1.237 -6.610 1.00 0.41 C ATOM 1650 C ILE A 124 9.808 1.372 -7.568 1.00 0.42 C ATOM 1651 O ILE A 124 10.657 0.505 -7.646 1.00 0.53 O ATOM 1652 CB ILE A 124 7.378 0.765 -7.371 1.00 0.45 C ATOM 1653 CG1 ILE A 124 6.235 0.544 -6.380 1.00 0.61 C ATOM 1654 CG2 ILE A 124 7.672 -0.550 -8.094 1.00 0.42 C ATOM 1655 CD1 ILE A 124 4.896 0.622 -7.114 1.00 1.02 C ATOM 0 H ILE A 124 7.490 3.022 -6.337 1.00 0.31 H new ATOM 0 HA ILE A 124 8.880 0.508 -5.841 1.00 0.41 H new ATOM 0 HB ILE A 124 7.099 1.523 -8.103 1.00 0.45 H new ATOM 0 HG12 ILE A 124 6.341 -0.428 -5.898 1.00 0.61 H new ATOM 0 HG13 ILE A 124 6.273 1.296 -5.592 1.00 0.61 H new ATOM 0 HG21 ILE A 124 6.782 -0.877 -8.631 1.00 0.42 H new ATOM 0 HG22 ILE A 124 8.489 -0.402 -8.801 1.00 0.42 H new ATOM 0 HG23 ILE A 124 7.955 -1.310 -7.366 1.00 0.42 H new ATOM 0 HD11 ILE A 124 4.083 0.464 -6.405 1.00 1.02 H new ATOM 0 HD12 ILE A 124 4.790 1.604 -7.575 1.00 1.02 H new ATOM 0 HD13 ILE A 124 4.859 -0.147 -7.886 1.00 1.02 H new ATOM 1667 N GLN A 125 9.873 2.449 -8.299 1.00 0.34 N ATOM 1668 CA GLN A 125 10.996 2.633 -9.252 1.00 0.36 C ATOM 1669 C GLN A 125 12.209 3.223 -8.528 1.00 0.34 C ATOM 1670 O GLN A 125 13.337 2.854 -8.786 1.00 0.38 O ATOM 1671 CB GLN A 125 10.545 3.581 -10.359 1.00 0.37 C ATOM 1672 CG GLN A 125 10.135 2.764 -11.584 1.00 0.38 C ATOM 1673 CD GLN A 125 10.351 3.595 -12.852 1.00 0.48 C ATOM 1674 OE1 GLN A 125 9.974 4.748 -12.907 1.00 1.00 O ATOM 1675 NE2 GLN A 125 10.945 3.052 -13.879 1.00 0.45 N ATOM 0 H GLN A 125 9.194 3.210 -8.276 1.00 0.34 H new ATOM 0 HA GLN A 125 11.279 1.670 -9.677 1.00 0.36 H new ATOM 0 HB2 GLN A 125 9.708 4.188 -10.015 1.00 0.37 H new ATOM 0 HB3 GLN A 125 11.352 4.267 -10.618 1.00 0.37 H new ATOM 0 HG2 GLN A 125 10.721 1.846 -11.634 1.00 0.38 H new ATOM 0 HG3 GLN A 125 9.089 2.470 -11.504 1.00 0.38 H new ATOM 0 HE21 GLN A 125 11.261 2.083 -13.832 1.00 0.45 H new ATOM 0 HE22 GLN A 125 11.093 3.596 -14.729 1.00 0.45 H new ATOM 1684 N PHE A 126 11.989 4.141 -7.626 1.00 0.28 N ATOM 1685 CA PHE A 126 13.134 4.755 -6.894 1.00 0.26 C ATOM 1686 C PHE A 126 13.877 3.676 -6.104 1.00 0.29 C ATOM 1687 O PHE A 126 15.090 3.667 -6.036 1.00 0.41 O ATOM 1688 CB PHE A 126 12.615 5.822 -5.927 1.00 0.18 C ATOM 1689 CG PHE A 126 12.420 7.129 -6.662 1.00 0.29 C ATOM 1690 CD1 PHE A 126 11.809 7.144 -7.923 1.00 0.36 C ATOM 1691 CD2 PHE A 126 12.850 8.328 -6.080 1.00 0.33 C ATOM 1692 CE1 PHE A 126 11.630 8.356 -8.601 1.00 0.48 C ATOM 1693 CE2 PHE A 126 12.671 9.540 -6.757 1.00 0.45 C ATOM 1694 CZ PHE A 126 12.061 9.554 -8.018 1.00 0.52 C ATOM 0 H PHE A 126 11.068 4.492 -7.365 1.00 0.28 H new ATOM 0 HA PHE A 126 13.813 5.214 -7.612 1.00 0.26 H new ATOM 0 HB2 PHE A 126 11.672 5.498 -5.486 1.00 0.18 H new ATOM 0 HB3 PHE A 126 13.321 5.957 -5.107 1.00 0.18 H new ATOM 0 HD1 PHE A 126 11.476 6.220 -8.372 1.00 0.36 H new ATOM 0 HD2 PHE A 126 13.320 8.318 -5.108 1.00 0.33 H new ATOM 0 HE1 PHE A 126 11.160 8.367 -9.573 1.00 0.48 H new ATOM 0 HE2 PHE A 126 13.003 10.464 -6.307 1.00 0.45 H new ATOM 0 HZ PHE A 126 11.923 10.489 -8.541 1.00 0.52 H new ATOM 1704 N LEU A 127 13.159 2.771 -5.498 1.00 0.22 N ATOM 1705 CA LEU A 127 13.830 1.700 -4.707 1.00 0.25 C ATOM 1706 C LEU A 127 14.413 0.646 -5.648 1.00 0.39 C ATOM 1707 O LEU A 127 15.598 0.400 -5.653 1.00 0.68 O ATOM 1708 CB LEU A 127 12.813 1.034 -3.777 1.00 0.13 C ATOM 1709 CG LEU A 127 12.501 1.963 -2.604 1.00 0.59 C ATOM 1710 CD1 LEU A 127 11.508 1.280 -1.662 1.00 0.87 C ATOM 1711 CD2 LEU A 127 13.791 2.276 -1.842 1.00 0.74 C ATOM 0 H LEU A 127 12.140 2.726 -5.516 1.00 0.22 H new ATOM 0 HA LEU A 127 14.632 2.145 -4.118 1.00 0.25 H new ATOM 0 HB2 LEU A 127 11.899 0.806 -4.326 1.00 0.13 H new ATOM 0 HB3 LEU A 127 13.208 0.087 -3.408 1.00 0.13 H new ATOM 0 HG LEU A 127 12.067 2.889 -2.981 1.00 0.59 H new ATOM 0 HD11 LEU A 127 11.285 1.942 -0.825 1.00 0.87 H new ATOM 0 HD12 LEU A 127 10.588 1.057 -2.203 1.00 0.87 H new ATOM 0 HD13 LEU A 127 11.942 0.354 -1.286 1.00 0.87 H new ATOM 0 HD21 LEU A 127 13.568 2.939 -1.006 1.00 0.74 H new ATOM 0 HD22 LEU A 127 14.225 1.350 -1.465 1.00 0.74 H new ATOM 0 HD23 LEU A 127 14.500 2.763 -2.512 1.00 0.74 H new ATOM 1723 N GLN A 128 13.586 0.017 -6.438 1.00 0.49 N ATOM 1724 CA GLN A 128 14.086 -1.036 -7.374 1.00 0.64 C ATOM 1725 C GLN A 128 15.321 -0.536 -8.137 1.00 0.82 C ATOM 1726 O GLN A 128 16.137 -1.313 -8.590 1.00 1.16 O ATOM 1727 CB GLN A 128 12.988 -1.387 -8.380 1.00 0.83 C ATOM 1728 CG GLN A 128 11.857 -2.133 -7.671 1.00 1.38 C ATOM 1729 CD GLN A 128 10.652 -2.238 -8.609 1.00 1.99 C ATOM 1730 OE1 GLN A 128 10.306 -1.287 -9.280 1.00 2.48 O ATOM 1731 NE2 GLN A 128 9.996 -3.363 -8.686 1.00 2.35 N ATOM 0 H GLN A 128 12.581 0.186 -6.477 1.00 0.49 H new ATOM 0 HA GLN A 128 14.359 -1.917 -6.793 1.00 0.64 H new ATOM 0 HB2 GLN A 128 12.603 -0.479 -8.844 1.00 0.83 H new ATOM 0 HB3 GLN A 128 13.398 -2.004 -9.180 1.00 0.83 H new ATOM 0 HG2 GLN A 128 12.191 -3.128 -7.377 1.00 1.38 H new ATOM 0 HG3 GLN A 128 11.577 -1.608 -6.758 1.00 1.38 H new ATOM 0 HE21 GLN A 128 10.286 -4.162 -8.123 1.00 2.35 H new ATOM 0 HE22 GLN A 128 9.193 -3.443 -9.310 1.00 2.35 H new ATOM 1740 N LYS A 129 15.456 0.754 -8.295 1.00 0.67 N ATOM 1741 CA LYS A 129 16.628 1.295 -9.045 1.00 0.86 C ATOM 1742 C LYS A 129 17.832 1.465 -8.111 1.00 0.87 C ATOM 1743 O LYS A 129 18.870 0.865 -8.310 1.00 1.25 O ATOM 1744 CB LYS A 129 16.261 2.652 -9.647 1.00 0.82 C ATOM 1745 CG LYS A 129 15.396 2.447 -10.893 1.00 1.18 C ATOM 1746 CD LYS A 129 14.786 3.785 -11.319 1.00 1.13 C ATOM 1747 CE LYS A 129 14.166 3.647 -12.711 1.00 2.01 C ATOM 1748 NZ LYS A 129 13.727 4.987 -13.193 1.00 2.42 N ATOM 0 H LYS A 129 14.807 1.455 -7.938 1.00 0.67 H new ATOM 0 HA LYS A 129 16.892 0.594 -9.837 1.00 0.86 H new ATOM 0 HB2 LYS A 129 15.723 3.252 -8.914 1.00 0.82 H new ATOM 0 HB3 LYS A 129 17.166 3.202 -9.907 1.00 0.82 H new ATOM 0 HG2 LYS A 129 15.999 2.036 -11.703 1.00 1.18 H new ATOM 0 HG3 LYS A 129 14.606 1.725 -10.685 1.00 1.18 H new ATOM 0 HD2 LYS A 129 14.027 4.095 -10.601 1.00 1.13 H new ATOM 0 HD3 LYS A 129 15.553 4.560 -11.327 1.00 1.13 H new ATOM 0 HE2 LYS A 129 14.891 3.219 -13.403 1.00 2.01 H new ATOM 0 HE3 LYS A 129 13.317 2.965 -12.677 1.00 2.01 H new ATOM 0 HZ1 LYS A 129 13.305 4.895 -14.139 1.00 2.42 H new ATOM 0 HZ2 LYS A 129 13.022 5.378 -12.536 1.00 2.42 H new ATOM 0 HZ3 LYS A 129 14.547 5.625 -13.240 1.00 2.42 H new ATOM 1762 N LYS A 130 17.715 2.293 -7.107 1.00 0.65 N ATOM 1763 CA LYS A 130 18.868 2.511 -6.184 1.00 0.97 C ATOM 1764 C LYS A 130 18.825 1.518 -5.021 1.00 0.77 C ATOM 1765 O LYS A 130 19.398 1.755 -3.976 1.00 0.87 O ATOM 1766 CB LYS A 130 18.830 3.945 -5.643 1.00 1.25 C ATOM 1767 CG LYS A 130 17.595 4.137 -4.756 1.00 0.97 C ATOM 1768 CD LYS A 130 18.035 4.357 -3.306 1.00 0.69 C ATOM 1769 CE LYS A 130 17.486 3.231 -2.428 1.00 0.89 C ATOM 1770 NZ LYS A 130 18.338 3.086 -1.214 1.00 0.59 N ATOM 0 H LYS A 130 16.874 2.826 -6.886 1.00 0.65 H new ATOM 0 HA LYS A 130 19.793 2.354 -6.739 1.00 0.97 H new ATOM 0 HB2 LYS A 130 19.735 4.151 -5.071 1.00 1.25 H new ATOM 0 HB3 LYS A 130 18.808 4.654 -6.470 1.00 1.25 H new ATOM 0 HG2 LYS A 130 17.014 4.991 -5.104 1.00 0.97 H new ATOM 0 HG3 LYS A 130 16.948 3.263 -4.822 1.00 0.97 H new ATOM 0 HD2 LYS A 130 19.123 4.382 -3.245 1.00 0.69 H new ATOM 0 HD3 LYS A 130 17.673 5.321 -2.948 1.00 0.69 H new ATOM 0 HE2 LYS A 130 16.458 3.449 -2.140 1.00 0.89 H new ATOM 0 HE3 LYS A 130 17.469 2.295 -2.987 1.00 0.89 H new ATOM 0 HZ1 LYS A 130 18.311 2.099 -0.886 1.00 0.59 H new ATOM 0 HZ2 LYS A 130 19.318 3.347 -1.444 1.00 0.59 H new ATOM 0 HZ3 LYS A 130 17.981 3.710 -0.463 1.00 0.59 H new ATOM 1784 N ALA A 131 18.171 0.403 -5.190 1.00 0.60 N ATOM 1785 CA ALA A 131 18.127 -0.594 -4.086 1.00 0.54 C ATOM 1786 C ALA A 131 19.329 -1.534 -4.215 1.00 0.96 C ATOM 1787 O ALA A 131 19.189 -2.740 -4.151 1.00 1.26 O ATOM 1788 CB ALA A 131 16.833 -1.404 -4.173 1.00 0.75 C ATOM 0 H ALA A 131 17.669 0.141 -6.038 1.00 0.60 H new ATOM 0 HA ALA A 131 18.162 -0.079 -3.126 1.00 0.54 H new ATOM 0 HB1 ALA A 131 16.805 -2.133 -3.363 1.00 0.75 H new ATOM 0 HB2 ALA A 131 15.978 -0.734 -4.088 1.00 0.75 H new ATOM 0 HB3 ALA A 131 16.793 -1.924 -5.130 1.00 0.75 H new ATOM 1794 N LYS A 132 20.512 -0.990 -4.401 1.00 1.09 N ATOM 1795 CA LYS A 132 21.734 -1.848 -4.538 1.00 1.57 C ATOM 1796 C LYS A 132 21.732 -2.933 -3.456 1.00 1.67 C ATOM 1797 O LYS A 132 21.225 -2.736 -2.370 1.00 1.54 O ATOM 1798 CB LYS A 132 22.984 -0.979 -4.386 1.00 1.81 C ATOM 1799 CG LYS A 132 22.939 -0.248 -3.043 1.00 1.65 C ATOM 1800 CD LYS A 132 24.336 -0.237 -2.422 1.00 2.27 C ATOM 1801 CE LYS A 132 24.272 -0.831 -1.014 1.00 2.96 C ATOM 1802 NZ LYS A 132 24.035 0.258 -0.024 1.00 2.34 N ATOM 0 H LYS A 132 20.683 0.014 -4.464 1.00 1.09 H new ATOM 0 HA LYS A 132 21.733 -2.321 -5.520 1.00 1.57 H new ATOM 0 HB2 LYS A 132 23.879 -1.598 -4.445 1.00 1.81 H new ATOM 0 HB3 LYS A 132 23.040 -0.259 -5.202 1.00 1.81 H new ATOM 0 HG2 LYS A 132 22.584 0.773 -3.184 1.00 1.65 H new ATOM 0 HG3 LYS A 132 22.235 -0.740 -2.372 1.00 1.65 H new ATOM 0 HD2 LYS A 132 25.025 -0.812 -3.040 1.00 2.27 H new ATOM 0 HD3 LYS A 132 24.720 0.782 -2.381 1.00 2.27 H new ATOM 0 HE2 LYS A 132 23.473 -1.570 -0.956 1.00 2.96 H new ATOM 0 HE3 LYS A 132 25.203 -1.349 -0.784 1.00 2.96 H new ATOM 0 HZ1 LYS A 132 23.992 -0.146 0.933 1.00 2.34 H new ATOM 0 HZ2 LYS A 132 24.812 0.947 -0.074 1.00 2.34 H new ATOM 0 HZ3 LYS A 132 23.136 0.734 -0.240 1.00 2.34 H new ATOM 1816 N ASN A 133 22.267 -4.090 -3.751 1.00 1.95 N ATOM 1817 CA ASN A 133 22.260 -5.188 -2.741 1.00 2.10 C ATOM 1818 C ASN A 133 20.813 -5.428 -2.318 1.00 1.91 C ATOM 1819 O ASN A 133 20.500 -5.588 -1.155 1.00 1.85 O ATOM 1820 CB ASN A 133 23.099 -4.788 -1.527 1.00 2.14 C ATOM 1821 CG ASN A 133 24.582 -4.879 -1.887 1.00 1.97 C ATOM 1822 OD1 ASN A 133 25.213 -3.880 -2.168 1.00 1.61 O ATOM 1823 ND2 ASN A 133 25.167 -6.045 -1.894 1.00 2.94 N ATOM 0 H ASN A 133 22.706 -4.320 -4.643 1.00 1.95 H new ATOM 0 HA ASN A 133 22.686 -6.096 -3.167 1.00 2.10 H new ATOM 0 HB2 ASN A 133 22.850 -3.773 -1.216 1.00 2.14 H new ATOM 0 HB3 ASN A 133 22.876 -5.443 -0.685 1.00 2.14 H new ATOM 0 HD21 ASN A 133 26.155 -6.118 -2.136 1.00 2.94 H new ATOM 0 HD22 ASN A 133 24.636 -6.883 -1.658 1.00 2.94 H new ATOM 1830 N LEU A 134 19.932 -5.428 -3.275 1.00 1.86 N ATOM 1831 CA LEU A 134 18.489 -5.626 -2.984 1.00 1.78 C ATOM 1832 C LEU A 134 17.708 -5.529 -4.294 1.00 2.00 C ATOM 1833 O LEU A 134 18.233 -5.803 -5.353 1.00 2.28 O ATOM 1834 CB LEU A 134 18.023 -4.541 -2.008 1.00 1.21 C ATOM 1835 CG LEU A 134 17.247 -5.191 -0.861 1.00 1.51 C ATOM 1836 CD1 LEU A 134 18.062 -5.087 0.429 1.00 1.33 C ATOM 1837 CD2 LEU A 134 15.908 -4.475 -0.675 1.00 1.65 C ATOM 0 H LEU A 134 20.155 -5.297 -4.262 1.00 1.86 H new ATOM 0 HA LEU A 134 18.320 -6.604 -2.534 1.00 1.78 H new ATOM 0 HB2 LEU A 134 18.881 -3.994 -1.618 1.00 1.21 H new ATOM 0 HB3 LEU A 134 17.392 -3.818 -2.525 1.00 1.21 H new ATOM 0 HG LEU A 134 17.067 -6.240 -1.096 1.00 1.51 H new ATOM 0 HD11 LEU A 134 17.510 -5.550 1.247 1.00 1.33 H new ATOM 0 HD12 LEU A 134 19.015 -5.599 0.299 1.00 1.33 H new ATOM 0 HD13 LEU A 134 18.243 -4.038 0.662 1.00 1.33 H new ATOM 0 HD21 LEU A 134 15.357 -4.940 0.143 1.00 1.65 H new ATOM 0 HD22 LEU A 134 16.086 -3.425 -0.442 1.00 1.65 H new ATOM 0 HD23 LEU A 134 15.325 -4.549 -1.593 1.00 1.65 H new ATOM 1849 N ASP A 135 16.463 -5.158 -4.223 1.00 2.10 N ATOM 1850 CA ASP A 135 15.621 -5.048 -5.454 1.00 2.69 C ATOM 1851 C ASP A 135 15.342 -6.443 -6.001 1.00 1.75 C ATOM 1852 O ASP A 135 16.122 -7.359 -5.826 1.00 1.15 O ATOM 1853 CB ASP A 135 16.330 -4.210 -6.527 1.00 3.65 C ATOM 1854 CG ASP A 135 15.419 -4.076 -7.749 1.00 5.41 C ATOM 1855 OD1 ASP A 135 14.222 -3.948 -7.559 1.00 6.14 O ATOM 1856 OD2 ASP A 135 15.935 -4.109 -8.854 1.00 6.27 O ATOM 0 H ASP A 135 15.982 -4.922 -3.355 1.00 2.10 H new ATOM 0 HA ASP A 135 14.684 -4.555 -5.193 1.00 2.69 H new ATOM 0 HB2 ASP A 135 16.575 -3.224 -6.132 1.00 3.65 H new ATOM 0 HB3 ASP A 135 17.271 -4.682 -6.811 1.00 3.65 H new ATOM 1861 N ALA A 136 14.223 -6.620 -6.649 1.00 2.08 N ATOM 1862 CA ALA A 136 13.879 -7.961 -7.193 1.00 2.03 C ATOM 1863 C ALA A 136 13.576 -8.877 -6.026 1.00 1.77 C ATOM 1864 O ALA A 136 14.113 -9.959 -5.895 1.00 2.89 O ATOM 1865 CB ALA A 136 15.043 -8.518 -8.001 1.00 1.83 C ATOM 0 H ALA A 136 13.532 -5.891 -6.825 1.00 2.08 H new ATOM 0 HA ALA A 136 13.014 -7.886 -7.852 1.00 2.03 H new ATOM 0 HB1 ALA A 136 14.777 -9.500 -8.393 1.00 1.83 H new ATOM 0 HB2 ALA A 136 15.266 -7.845 -8.829 1.00 1.83 H new ATOM 0 HB3 ALA A 136 15.920 -8.609 -7.360 1.00 1.83 H new ATOM 1871 N ILE A 137 12.723 -8.418 -5.173 1.00 1.41 N ATOM 1872 CA ILE A 137 12.337 -9.187 -3.980 1.00 1.50 C ATOM 1873 C ILE A 137 11.160 -10.106 -4.357 1.00 2.08 C ATOM 1874 O ILE A 137 10.115 -10.114 -3.738 1.00 2.50 O ATOM 1875 CB ILE A 137 11.973 -8.133 -2.922 1.00 1.74 C ATOM 1876 CG1 ILE A 137 13.251 -7.650 -2.233 1.00 1.39 C ATOM 1877 CG2 ILE A 137 11.020 -8.678 -1.870 1.00 2.38 C ATOM 1878 CD1 ILE A 137 14.251 -7.130 -3.271 1.00 0.97 C ATOM 0 H ILE A 137 12.263 -7.511 -5.258 1.00 1.41 H new ATOM 0 HA ILE A 137 13.121 -9.836 -3.590 1.00 1.50 H new ATOM 0 HB ILE A 137 11.471 -7.312 -3.434 1.00 1.74 H new ATOM 0 HG12 ILE A 137 13.012 -6.860 -1.521 1.00 1.39 H new ATOM 0 HG13 ILE A 137 13.697 -8.467 -1.665 1.00 1.39 H new ATOM 0 HG21 ILE A 137 10.793 -7.896 -1.145 1.00 2.38 H new ATOM 0 HG22 ILE A 137 10.098 -9.007 -2.350 1.00 2.38 H new ATOM 0 HG23 ILE A 137 11.485 -9.522 -1.360 1.00 2.38 H new ATOM 0 HD11 ILE A 137 15.155 -6.790 -2.766 1.00 0.97 H new ATOM 0 HD12 ILE A 137 14.503 -7.931 -3.966 1.00 0.97 H new ATOM 0 HD13 ILE A 137 13.807 -6.299 -3.820 1.00 0.97 H new ATOM 1890 N THR A 138 11.327 -10.885 -5.393 1.00 2.27 N ATOM 1891 CA THR A 138 10.234 -11.795 -5.839 1.00 2.75 C ATOM 1892 C THR A 138 8.974 -10.968 -6.094 1.00 2.43 C ATOM 1893 O THR A 138 8.889 -9.813 -5.726 1.00 2.22 O ATOM 1894 CB THR A 138 9.957 -12.869 -4.779 1.00 3.08 C ATOM 1895 OG1 THR A 138 10.623 -12.545 -3.566 1.00 3.12 O ATOM 1896 CG2 THR A 138 10.465 -14.218 -5.291 1.00 3.71 C ATOM 0 H THR A 138 12.179 -10.929 -5.952 1.00 2.27 H new ATOM 0 HA THR A 138 10.537 -12.298 -6.757 1.00 2.75 H new ATOM 0 HB THR A 138 8.885 -12.919 -4.591 1.00 3.08 H new ATOM 0 HG1 THR A 138 10.175 -11.784 -3.140 1.00 3.12 H new ATOM 0 HG21 THR A 138 10.272 -14.987 -4.543 1.00 3.71 H new ATOM 0 HG22 THR A 138 9.949 -14.474 -6.216 1.00 3.71 H new ATOM 0 HG23 THR A 138 11.537 -14.156 -5.479 1.00 3.71 H new ATOM 1904 N THR A 139 8.002 -11.536 -6.743 1.00 2.37 N ATOM 1905 CA THR A 139 6.768 -10.765 -7.037 1.00 2.03 C ATOM 1906 C THR A 139 5.742 -11.689 -7.710 1.00 1.80 C ATOM 1907 O THR A 139 6.121 -12.633 -8.375 1.00 1.90 O ATOM 1908 CB THR A 139 7.149 -9.600 -7.966 1.00 1.80 C ATOM 1909 OG1 THR A 139 6.085 -8.663 -8.034 1.00 1.55 O ATOM 1910 CG2 THR A 139 7.469 -10.120 -9.371 1.00 1.71 C ATOM 0 H THR A 139 8.008 -12.498 -7.082 1.00 2.37 H new ATOM 0 HA THR A 139 6.323 -10.372 -6.123 1.00 2.03 H new ATOM 0 HB THR A 139 8.034 -9.110 -7.561 1.00 1.80 H new ATOM 0 HG1 THR A 139 5.587 -8.672 -7.190 1.00 1.55 H new ATOM 0 HG21 THR A 139 7.737 -9.283 -10.016 1.00 1.71 H new ATOM 0 HG22 THR A 139 8.303 -10.820 -9.319 1.00 1.71 H new ATOM 0 HG23 THR A 139 6.595 -10.628 -9.779 1.00 1.71 H new ATOM 1958 N THR A 143 0.640 -11.467 -13.894 1.00 0.25 N ATOM 1959 CA THR A 143 -0.215 -12.638 -14.230 1.00 0.26 C ATOM 1960 C THR A 143 -0.834 -13.180 -12.944 1.00 0.38 C ATOM 1961 O THR A 143 -2.001 -13.516 -12.904 1.00 0.46 O ATOM 1962 CB THR A 143 0.632 -13.725 -14.893 1.00 0.50 C ATOM 1963 OG1 THR A 143 1.648 -14.144 -13.991 1.00 1.05 O ATOM 1964 CG2 THR A 143 1.273 -13.168 -16.165 1.00 0.56 C ATOM 0 HA THR A 143 -1.002 -12.334 -14.921 1.00 0.26 H new ATOM 0 HB THR A 143 0.000 -14.575 -15.150 1.00 0.50 H new ATOM 0 HG1 THR A 143 2.192 -14.842 -14.412 1.00 1.05 H new ATOM 0 HG21 THR A 143 1.877 -13.943 -16.638 1.00 0.56 H new ATOM 0 HG22 THR A 143 0.493 -12.845 -16.854 1.00 0.56 H new ATOM 0 HG23 THR A 143 1.907 -12.319 -15.911 1.00 0.56 H new ATOM 1972 N THR A 144 -0.073 -13.250 -11.884 1.00 0.46 N ATOM 1973 CA THR A 144 -0.652 -13.748 -10.607 1.00 0.55 C ATOM 1974 C THR A 144 -1.479 -12.618 -10.002 1.00 0.44 C ATOM 1975 O THR A 144 -2.495 -12.838 -9.366 1.00 0.49 O ATOM 1976 CB THR A 144 0.469 -14.152 -9.646 1.00 0.66 C ATOM 1977 OG1 THR A 144 1.544 -14.716 -10.384 1.00 0.93 O ATOM 1978 CG2 THR A 144 -0.059 -15.182 -8.648 1.00 0.70 C ATOM 0 H THR A 144 0.912 -12.987 -11.848 1.00 0.46 H new ATOM 0 HA THR A 144 -1.277 -14.623 -10.786 1.00 0.55 H new ATOM 0 HB THR A 144 0.819 -13.272 -9.107 1.00 0.66 H new ATOM 0 HG1 THR A 144 2.263 -14.973 -9.770 1.00 0.93 H new ATOM 0 HG21 THR A 144 0.740 -15.469 -7.964 1.00 0.70 H new ATOM 0 HG22 THR A 144 -0.884 -14.750 -8.081 1.00 0.70 H new ATOM 0 HG23 THR A 144 -0.410 -16.063 -9.186 1.00 0.70 H new ATOM 1986 N ASN A 145 -1.064 -11.401 -10.224 1.00 0.33 N ATOM 1987 CA ASN A 145 -1.838 -10.253 -9.691 1.00 0.22 C ATOM 1988 C ASN A 145 -3.145 -10.162 -10.470 1.00 0.15 C ATOM 1989 O ASN A 145 -4.157 -9.760 -9.950 1.00 0.28 O ATOM 1990 CB ASN A 145 -1.041 -8.958 -9.853 1.00 0.22 C ATOM 1991 CG ASN A 145 -0.555 -8.494 -8.481 1.00 0.31 C ATOM 1992 OD1 ASN A 145 0.583 -8.098 -8.327 1.00 0.38 O ATOM 1993 ND2 ASN A 145 -1.379 -8.522 -7.467 1.00 0.38 N ATOM 0 H ASN A 145 -0.225 -11.156 -10.750 1.00 0.33 H new ATOM 0 HA ASN A 145 -2.040 -10.397 -8.630 1.00 0.22 H new ATOM 0 HB2 ASN A 145 -0.192 -9.120 -10.517 1.00 0.22 H new ATOM 0 HB3 ASN A 145 -1.663 -8.189 -10.311 1.00 0.22 H new ATOM 0 HD21 ASN A 145 -1.066 -8.211 -6.547 1.00 0.38 H new ATOM 0 HD22 ASN A 145 -2.335 -8.854 -7.596 1.00 0.38 H new ATOM 2000 N ALA A 146 -3.143 -10.564 -11.713 1.00 0.25 N ATOM 2001 CA ALA A 146 -4.408 -10.526 -12.501 1.00 0.19 C ATOM 2002 C ALA A 146 -5.464 -11.323 -11.741 1.00 0.25 C ATOM 2003 O ALA A 146 -6.638 -11.054 -11.833 1.00 0.21 O ATOM 2004 CB ALA A 146 -4.177 -11.152 -13.878 1.00 0.27 C ATOM 0 H ALA A 146 -2.326 -10.915 -12.213 1.00 0.25 H new ATOM 0 HA ALA A 146 -4.739 -9.496 -12.637 1.00 0.19 H new ATOM 0 HB1 ALA A 146 -5.104 -11.123 -14.451 1.00 0.27 H new ATOM 0 HB2 ALA A 146 -3.405 -10.593 -14.407 1.00 0.27 H new ATOM 0 HB3 ALA A 146 -3.857 -12.187 -13.758 1.00 0.27 H new ATOM 2010 N SER A 147 -5.047 -12.291 -10.973 1.00 0.42 N ATOM 2011 CA SER A 147 -6.028 -13.088 -10.185 1.00 0.55 C ATOM 2012 C SER A 147 -6.374 -12.316 -8.913 1.00 0.59 C ATOM 2013 O SER A 147 -7.513 -12.267 -8.496 1.00 0.64 O ATOM 2014 CB SER A 147 -5.426 -14.444 -9.819 1.00 0.70 C ATOM 2015 OG SER A 147 -6.160 -15.009 -8.739 1.00 1.97 O ATOM 0 H SER A 147 -4.071 -12.564 -10.857 1.00 0.42 H new ATOM 0 HA SER A 147 -6.928 -13.255 -10.777 1.00 0.55 H new ATOM 0 HB2 SER A 147 -5.453 -15.111 -10.681 1.00 0.70 H new ATOM 0 HB3 SER A 147 -4.379 -14.326 -9.540 1.00 0.70 H new ATOM 0 HG SER A 147 -5.777 -15.880 -8.503 1.00 1.97 H new ATOM 2021 N LEU A 148 -5.400 -11.695 -8.300 1.00 0.59 N ATOM 2022 CA LEU A 148 -5.678 -10.902 -7.062 1.00 0.71 C ATOM 2023 C LEU A 148 -6.761 -9.871 -7.388 1.00 0.52 C ATOM 2024 O LEU A 148 -7.854 -9.913 -6.867 1.00 0.25 O ATOM 2025 CB LEU A 148 -4.395 -10.177 -6.633 1.00 0.84 C ATOM 2026 CG LEU A 148 -4.342 -10.015 -5.108 1.00 0.90 C ATOM 2027 CD1 LEU A 148 -5.464 -9.092 -4.635 1.00 1.44 C ATOM 2028 CD2 LEU A 148 -4.497 -11.380 -4.435 1.00 1.93 C ATOM 0 H LEU A 148 -4.425 -11.702 -8.601 1.00 0.59 H new ATOM 0 HA LEU A 148 -6.011 -11.555 -6.255 1.00 0.71 H new ATOM 0 HB2 LEU A 148 -3.524 -10.737 -6.974 1.00 0.84 H new ATOM 0 HB3 LEU A 148 -4.350 -9.197 -7.109 1.00 0.84 H new ATOM 0 HG LEU A 148 -3.380 -9.580 -4.838 1.00 0.90 H new ATOM 0 HD11 LEU A 148 -5.415 -8.986 -3.551 1.00 1.44 H new ATOM 0 HD12 LEU A 148 -5.351 -8.113 -5.101 1.00 1.44 H new ATOM 0 HD13 LEU A 148 -6.428 -9.518 -4.915 1.00 1.44 H new ATOM 0 HD21 LEU A 148 -4.459 -11.258 -3.352 1.00 1.93 H new ATOM 0 HD22 LEU A 148 -5.454 -11.818 -4.717 1.00 1.93 H new ATOM 0 HD23 LEU A 148 -3.689 -12.037 -4.755 1.00 1.93 H new ATOM 2040 N LEU A 149 -6.441 -8.958 -8.264 1.00 0.66 N ATOM 2041 CA LEU A 149 -7.397 -7.899 -8.695 1.00 0.51 C ATOM 2042 C LEU A 149 -8.679 -8.530 -9.245 1.00 0.43 C ATOM 2043 O LEU A 149 -9.771 -8.169 -8.865 1.00 0.33 O ATOM 2044 CB LEU A 149 -6.727 -7.099 -9.808 1.00 0.47 C ATOM 2045 CG LEU A 149 -7.608 -5.923 -10.208 1.00 0.39 C ATOM 2046 CD1 LEU A 149 -7.558 -4.862 -9.109 1.00 0.73 C ATOM 2047 CD2 LEU A 149 -7.086 -5.338 -11.522 1.00 0.24 C ATOM 0 H LEU A 149 -5.527 -8.902 -8.713 1.00 0.66 H new ATOM 0 HA LEU A 149 -7.655 -7.264 -7.847 1.00 0.51 H new ATOM 0 HB2 LEU A 149 -5.755 -6.738 -9.473 1.00 0.47 H new ATOM 0 HB3 LEU A 149 -6.549 -7.740 -10.671 1.00 0.47 H new ATOM 0 HG LEU A 149 -8.639 -6.252 -10.341 1.00 0.39 H new ATOM 0 HD11 LEU A 149 -8.187 -4.017 -9.390 1.00 0.73 H new ATOM 0 HD12 LEU A 149 -7.920 -5.289 -8.174 1.00 0.73 H new ATOM 0 HD13 LEU A 149 -6.531 -4.522 -8.978 1.00 0.73 H new ATOM 0 HD21 LEU A 149 -7.710 -4.495 -11.818 1.00 0.24 H new ATOM 0 HD22 LEU A 149 -6.059 -5.000 -11.387 1.00 0.24 H new ATOM 0 HD23 LEU A 149 -7.117 -6.102 -12.298 1.00 0.24 H new ATOM 2059 N THR A 150 -8.553 -9.460 -10.148 1.00 0.60 N ATOM 2060 CA THR A 150 -9.761 -10.109 -10.732 1.00 0.61 C ATOM 2061 C THR A 150 -10.603 -10.727 -9.604 1.00 0.54 C ATOM 2062 O THR A 150 -11.781 -10.981 -9.763 1.00 0.57 O ATOM 2063 CB THR A 150 -9.307 -11.195 -11.719 1.00 0.72 C ATOM 2064 OG1 THR A 150 -8.744 -10.575 -12.867 1.00 2.08 O ATOM 2065 CG2 THR A 150 -10.488 -12.059 -12.153 1.00 1.28 C ATOM 0 H THR A 150 -7.662 -9.801 -10.509 1.00 0.60 H new ATOM 0 HA THR A 150 -10.370 -9.374 -11.259 1.00 0.61 H new ATOM 0 HB THR A 150 -8.569 -11.828 -11.226 1.00 0.72 H new ATOM 0 HG1 THR A 150 -7.794 -10.393 -12.708 1.00 2.08 H new ATOM 0 HG21 THR A 150 -10.144 -12.821 -12.852 1.00 1.28 H new ATOM 0 HG22 THR A 150 -10.928 -12.540 -11.279 1.00 1.28 H new ATOM 0 HG23 THR A 150 -11.237 -11.434 -12.639 1.00 1.28 H new ATOM 2073 N LYS A 151 -10.005 -10.971 -8.472 1.00 0.48 N ATOM 2074 CA LYS A 151 -10.757 -11.574 -7.334 1.00 0.42 C ATOM 2075 C LYS A 151 -11.326 -10.466 -6.436 1.00 0.35 C ATOM 2076 O LYS A 151 -12.329 -10.650 -5.775 1.00 0.29 O ATOM 2077 CB LYS A 151 -9.807 -12.465 -6.524 1.00 0.34 C ATOM 2078 CG LYS A 151 -10.530 -13.022 -5.292 1.00 0.36 C ATOM 2079 CD LYS A 151 -9.708 -12.720 -4.036 1.00 0.63 C ATOM 2080 CE LYS A 151 -10.615 -12.113 -2.962 1.00 1.10 C ATOM 2081 NZ LYS A 151 -11.759 -13.032 -2.685 1.00 1.76 N ATOM 0 H LYS A 151 -9.021 -10.778 -8.284 1.00 0.48 H new ATOM 0 HA LYS A 151 -11.583 -12.172 -7.718 1.00 0.42 H new ATOM 0 HB2 LYS A 151 -9.446 -13.285 -7.145 1.00 0.34 H new ATOM 0 HB3 LYS A 151 -8.933 -11.891 -6.214 1.00 0.34 H new ATOM 0 HG2 LYS A 151 -11.521 -12.576 -5.207 1.00 0.36 H new ATOM 0 HG3 LYS A 151 -10.672 -14.098 -5.396 1.00 0.36 H new ATOM 0 HD2 LYS A 151 -9.247 -13.634 -3.663 1.00 0.63 H new ATOM 0 HD3 LYS A 151 -8.899 -12.030 -4.276 1.00 0.63 H new ATOM 0 HE2 LYS A 151 -10.046 -11.940 -2.048 1.00 1.10 H new ATOM 0 HE3 LYS A 151 -10.988 -11.144 -3.293 1.00 1.10 H new ATOM 0 HZ1 LYS A 151 -12.050 -12.934 -1.691 1.00 1.76 H new ATOM 0 HZ2 LYS A 151 -12.557 -12.789 -3.306 1.00 1.76 H new ATOM 0 HZ3 LYS A 151 -11.467 -14.014 -2.865 1.00 1.76 H new ATOM 2095 N LEU A 152 -10.712 -9.309 -6.413 1.00 0.38 N ATOM 2096 CA LEU A 152 -11.247 -8.210 -5.564 1.00 0.32 C ATOM 2097 C LEU A 152 -12.497 -7.662 -6.242 1.00 0.31 C ATOM 2098 O LEU A 152 -13.561 -7.599 -5.661 1.00 0.21 O ATOM 2099 CB LEU A 152 -10.226 -7.069 -5.426 1.00 0.30 C ATOM 2100 CG LEU A 152 -8.788 -7.599 -5.400 1.00 0.31 C ATOM 2101 CD1 LEU A 152 -7.828 -6.458 -5.062 1.00 0.46 C ATOM 2102 CD2 LEU A 152 -8.648 -8.692 -4.343 1.00 0.55 C ATOM 0 H LEU A 152 -9.870 -9.083 -6.942 1.00 0.38 H new ATOM 0 HA LEU A 152 -11.465 -8.600 -4.570 1.00 0.32 H new ATOM 0 HB2 LEU A 152 -10.343 -6.373 -6.257 1.00 0.30 H new ATOM 0 HB3 LEU A 152 -10.425 -6.510 -4.511 1.00 0.30 H new ATOM 0 HG LEU A 152 -8.549 -8.011 -6.381 1.00 0.31 H new ATOM 0 HD11 LEU A 152 -6.806 -6.836 -5.044 1.00 0.46 H new ATOM 0 HD12 LEU A 152 -7.912 -5.676 -5.817 1.00 0.46 H new ATOM 0 HD13 LEU A 152 -8.081 -6.048 -4.084 1.00 0.46 H new ATOM 0 HD21 LEU A 152 -7.622 -9.060 -4.334 1.00 0.55 H new ATOM 0 HD22 LEU A 152 -8.895 -8.284 -3.363 1.00 0.55 H new ATOM 0 HD23 LEU A 152 -9.326 -9.513 -4.576 1.00 0.55 H new ATOM 2114 N GLN A 153 -12.366 -7.260 -7.476 1.00 0.64 N ATOM 2115 CA GLN A 153 -13.535 -6.709 -8.203 1.00 0.67 C ATOM 2116 C GLN A 153 -14.585 -7.804 -8.426 1.00 0.68 C ATOM 2117 O GLN A 153 -15.714 -7.525 -8.778 1.00 0.72 O ATOM 2118 CB GLN A 153 -13.085 -6.151 -9.556 1.00 0.82 C ATOM 2119 CG GLN A 153 -12.657 -4.692 -9.389 1.00 0.87 C ATOM 2120 CD GLN A 153 -13.432 -3.817 -10.374 1.00 1.03 C ATOM 2121 OE1 GLN A 153 -13.848 -4.278 -11.420 1.00 0.69 O ATOM 2122 NE2 GLN A 153 -13.649 -2.563 -10.084 1.00 2.11 N ATOM 0 H GLN A 153 -11.497 -7.291 -8.010 1.00 0.64 H new ATOM 0 HA GLN A 153 -13.975 -5.910 -7.606 1.00 0.67 H new ATOM 0 HB2 GLN A 153 -12.257 -6.742 -9.948 1.00 0.82 H new ATOM 0 HB3 GLN A 153 -13.897 -6.222 -10.279 1.00 0.82 H new ATOM 0 HG2 GLN A 153 -12.845 -4.362 -8.367 1.00 0.87 H new ATOM 0 HG3 GLN A 153 -11.586 -4.594 -9.564 1.00 0.87 H new ATOM 0 HE21 GLN A 153 -13.301 -2.175 -9.207 1.00 2.11 H new ATOM 0 HE22 GLN A 153 -14.167 -1.971 -10.734 1.00 2.11 H new ATOM 2131 N ALA A 154 -14.230 -9.045 -8.231 1.00 0.66 N ATOM 2132 CA ALA A 154 -15.216 -10.142 -8.441 1.00 0.70 C ATOM 2133 C ALA A 154 -15.926 -10.459 -7.123 1.00 0.56 C ATOM 2134 O ALA A 154 -16.077 -11.605 -6.752 1.00 0.70 O ATOM 2135 CB ALA A 154 -14.489 -11.394 -8.936 1.00 0.82 C ATOM 0 H ALA A 154 -13.301 -9.346 -7.936 1.00 0.66 H new ATOM 0 HA ALA A 154 -15.951 -9.826 -9.182 1.00 0.70 H new ATOM 0 HB1 ALA A 154 -15.210 -12.197 -9.090 1.00 0.82 H new ATOM 0 HB2 ALA A 154 -13.985 -11.174 -9.877 1.00 0.82 H new ATOM 0 HB3 ALA A 154 -13.753 -11.705 -8.194 1.00 0.82 H new ATOM 2141 N GLN A 155 -16.362 -9.456 -6.412 1.00 0.81 N ATOM 2142 CA GLN A 155 -17.059 -9.713 -5.120 1.00 0.69 C ATOM 2143 C GLN A 155 -18.558 -9.456 -5.285 1.00 0.67 C ATOM 2144 O GLN A 155 -19.046 -9.251 -6.378 1.00 1.08 O ATOM 2145 CB GLN A 155 -16.497 -8.784 -4.041 1.00 1.00 C ATOM 2146 CG GLN A 155 -15.014 -9.091 -3.821 1.00 1.08 C ATOM 2147 CD GLN A 155 -14.871 -10.241 -2.821 1.00 0.91 C ATOM 2148 OE1 GLN A 155 -15.831 -10.924 -2.521 1.00 1.27 O ATOM 2149 NE2 GLN A 155 -13.704 -10.486 -2.288 1.00 0.59 N ATOM 0 H GLN A 155 -16.266 -8.473 -6.668 1.00 0.81 H new ATOM 0 HA GLN A 155 -16.900 -10.750 -4.825 1.00 0.69 H new ATOM 0 HB2 GLN A 155 -16.623 -7.744 -4.341 1.00 1.00 H new ATOM 0 HB3 GLN A 155 -17.048 -8.916 -3.110 1.00 1.00 H new ATOM 0 HG2 GLN A 155 -14.543 -9.358 -4.767 1.00 1.08 H new ATOM 0 HG3 GLN A 155 -14.500 -8.205 -3.448 1.00 1.08 H new ATOM 0 HE21 GLN A 155 -12.898 -9.913 -2.539 1.00 0.59 H new ATOM 0 HE22 GLN A 155 -13.598 -11.250 -1.620 1.00 0.59 H new ATOM 2158 N ASN A 156 -19.289 -9.470 -4.206 1.00 0.52 N ATOM 2159 CA ASN A 156 -20.758 -9.229 -4.293 1.00 0.62 C ATOM 2160 C ASN A 156 -21.052 -7.755 -4.020 1.00 0.98 C ATOM 2161 O ASN A 156 -22.132 -7.408 -3.584 1.00 2.81 O ATOM 2162 CB ASN A 156 -21.475 -10.091 -3.252 1.00 0.70 C ATOM 2163 CG ASN A 156 -21.331 -11.570 -3.619 1.00 1.12 C ATOM 2164 OD1 ASN A 156 -21.385 -11.927 -4.780 1.00 1.83 O ATOM 2165 ND2 ASN A 156 -21.147 -12.452 -2.674 1.00 0.95 N ATOM 0 H ASN A 156 -18.933 -9.638 -3.265 1.00 0.52 H new ATOM 0 HA ASN A 156 -21.110 -9.490 -5.291 1.00 0.62 H new ATOM 0 HB2 ASN A 156 -21.054 -9.909 -2.263 1.00 0.70 H new ATOM 0 HB3 ASN A 156 -22.529 -9.819 -3.205 1.00 0.70 H new ATOM 0 HD21 ASN A 156 -21.049 -13.439 -2.910 1.00 0.95 H new ATOM 0 HD22 ASN A 156 -21.102 -12.154 -1.700 1.00 0.95 H new ATOM 2172 N GLN A 157 -20.088 -6.894 -4.276 1.00 0.95 N ATOM 2173 CA GLN A 157 -20.248 -5.422 -4.041 1.00 0.70 C ATOM 2174 C GLN A 157 -19.946 -5.115 -2.573 1.00 0.54 C ATOM 2175 O GLN A 157 -19.165 -4.236 -2.261 1.00 0.58 O ATOM 2176 CB GLN A 157 -21.664 -4.969 -4.395 1.00 0.78 C ATOM 2177 CG GLN A 157 -21.687 -3.450 -4.569 1.00 0.86 C ATOM 2178 CD GLN A 157 -23.071 -3.014 -5.054 1.00 0.42 C ATOM 2179 OE1 GLN A 157 -23.436 -3.261 -6.185 1.00 1.00 O ATOM 2180 NE2 GLN A 157 -23.860 -2.371 -4.237 1.00 1.39 N ATOM 0 H GLN A 157 -19.176 -7.160 -4.647 1.00 0.95 H new ATOM 0 HA GLN A 157 -19.551 -4.879 -4.680 1.00 0.70 H new ATOM 0 HB2 GLN A 157 -21.994 -5.456 -5.313 1.00 0.78 H new ATOM 0 HB3 GLN A 157 -22.359 -5.266 -3.610 1.00 0.78 H new ATOM 0 HG2 GLN A 157 -21.450 -2.961 -3.624 1.00 0.86 H new ATOM 0 HG3 GLN A 157 -20.925 -3.144 -5.286 1.00 0.86 H new ATOM 0 HE21 GLN A 157 -23.552 -2.164 -3.287 1.00 1.39 H new ATOM 0 HE22 GLN A 157 -24.785 -2.075 -4.549 1.00 1.39 H new ATOM 2189 N TRP A 158 -20.539 -5.844 -1.666 1.00 0.43 N ATOM 2190 CA TRP A 158 -20.269 -5.615 -0.223 1.00 0.36 C ATOM 2191 C TRP A 158 -18.762 -5.708 0.016 1.00 0.31 C ATOM 2192 O TRP A 158 -18.123 -4.759 0.428 1.00 0.32 O ATOM 2193 CB TRP A 158 -20.983 -6.697 0.591 1.00 0.39 C ATOM 2194 CG TRP A 158 -20.678 -6.516 2.045 1.00 0.34 C ATOM 2195 CD1 TRP A 158 -19.509 -6.851 2.640 1.00 0.45 C ATOM 2196 CD2 TRP A 158 -21.525 -5.963 3.095 1.00 0.27 C ATOM 2197 NE1 TRP A 158 -19.586 -6.541 3.985 1.00 0.37 N ATOM 2198 CE2 TRP A 158 -20.808 -5.990 4.314 1.00 0.24 C ATOM 2199 CE3 TRP A 158 -22.832 -5.442 3.107 1.00 0.38 C ATOM 2200 CZ2 TRP A 158 -21.367 -5.524 5.503 1.00 0.23 C ATOM 2201 CZ3 TRP A 158 -23.399 -4.971 4.304 1.00 0.48 C ATOM 2202 CH2 TRP A 158 -22.666 -5.010 5.499 1.00 0.39 C ATOM 0 H TRP A 158 -21.202 -6.592 -1.867 1.00 0.43 H new ATOM 0 HA TRP A 158 -20.629 -4.632 0.079 1.00 0.36 H new ATOM 0 HB2 TRP A 158 -22.059 -6.640 0.425 1.00 0.39 H new ATOM 0 HB3 TRP A 158 -20.661 -7.685 0.262 1.00 0.39 H new ATOM 0 HD1 TRP A 158 -18.655 -7.289 2.145 1.00 0.45 H new ATOM 0 HE1 TRP A 158 -18.832 -6.700 4.653 1.00 0.37 H new ATOM 0 HE3 TRP A 158 -23.403 -5.404 2.191 1.00 0.38 H new ATOM 0 HZ2 TRP A 158 -20.800 -5.560 6.421 1.00 0.23 H new ATOM 0 HZ3 TRP A 158 -24.405 -4.577 4.303 1.00 0.48 H new ATOM 0 HH2 TRP A 158 -23.105 -4.643 6.415 1.00 0.39 H new ATOM 2213 N LEU A 159 -18.189 -6.847 -0.255 1.00 0.34 N ATOM 2214 CA LEU A 159 -16.725 -7.012 -0.062 1.00 0.38 C ATOM 2215 C LEU A 159 -15.978 -6.168 -1.101 1.00 0.36 C ATOM 2216 O LEU A 159 -14.781 -5.977 -1.012 1.00 0.41 O ATOM 2217 CB LEU A 159 -16.351 -8.487 -0.226 1.00 0.41 C ATOM 2218 CG LEU A 159 -17.246 -9.346 0.673 1.00 0.42 C ATOM 2219 CD1 LEU A 159 -17.451 -10.719 0.031 1.00 0.46 C ATOM 2220 CD2 LEU A 159 -16.579 -9.518 2.039 1.00 0.70 C ATOM 0 H LEU A 159 -18.675 -7.673 -0.603 1.00 0.34 H new ATOM 0 HA LEU A 159 -16.448 -6.681 0.939 1.00 0.38 H new ATOM 0 HB2 LEU A 159 -16.467 -8.789 -1.267 1.00 0.41 H new ATOM 0 HB3 LEU A 159 -15.304 -8.638 0.035 1.00 0.41 H new ATOM 0 HG LEU A 159 -18.212 -8.856 0.797 1.00 0.42 H new ATOM 0 HD11 LEU A 159 -18.088 -11.329 0.672 1.00 0.46 H new ATOM 0 HD12 LEU A 159 -17.925 -10.598 -0.943 1.00 0.46 H new ATOM 0 HD13 LEU A 159 -16.486 -11.210 -0.094 1.00 0.46 H new ATOM 0 HD21 LEU A 159 -17.215 -10.129 2.680 1.00 0.70 H new ATOM 0 HD22 LEU A 159 -15.613 -10.007 1.913 1.00 0.70 H new ATOM 0 HD23 LEU A 159 -16.433 -8.540 2.498 1.00 0.70 H new ATOM 2232 N GLN A 160 -16.673 -5.656 -2.086 1.00 0.33 N ATOM 2233 CA GLN A 160 -15.999 -4.823 -3.118 1.00 0.35 C ATOM 2234 C GLN A 160 -15.656 -3.462 -2.510 1.00 0.45 C ATOM 2235 O GLN A 160 -14.646 -2.864 -2.825 1.00 0.60 O ATOM 2236 CB GLN A 160 -16.940 -4.639 -4.312 1.00 0.29 C ATOM 2237 CG GLN A 160 -16.120 -4.343 -5.570 1.00 0.91 C ATOM 2238 CD GLN A 160 -16.732 -3.155 -6.314 1.00 1.24 C ATOM 2239 OE1 GLN A 160 -17.637 -3.322 -7.106 1.00 1.28 O ATOM 2240 NE2 GLN A 160 -16.272 -1.954 -6.091 1.00 2.31 N ATOM 0 H GLN A 160 -17.677 -5.781 -2.217 1.00 0.33 H new ATOM 0 HA GLN A 160 -15.085 -5.311 -3.456 1.00 0.35 H new ATOM 0 HB2 GLN A 160 -17.538 -5.538 -4.459 1.00 0.29 H new ATOM 0 HB3 GLN A 160 -17.635 -3.822 -4.118 1.00 0.29 H new ATOM 0 HG2 GLN A 160 -15.087 -4.123 -5.300 1.00 0.91 H new ATOM 0 HG3 GLN A 160 -16.100 -5.219 -6.218 1.00 0.91 H new ATOM 0 HE21 GLN A 160 -15.512 -1.815 -5.425 1.00 2.31 H new ATOM 0 HE22 GLN A 160 -16.673 -1.155 -6.582 1.00 2.31 H new ATOM 2249 N ASP A 161 -16.485 -2.973 -1.626 1.00 0.40 N ATOM 2250 CA ASP A 161 -16.203 -1.661 -0.981 1.00 0.51 C ATOM 2251 C ASP A 161 -15.247 -1.887 0.192 1.00 0.41 C ATOM 2252 O ASP A 161 -14.355 -1.100 0.438 1.00 0.52 O ATOM 2253 CB ASP A 161 -17.509 -1.048 -0.469 1.00 0.66 C ATOM 2254 CG ASP A 161 -17.256 0.388 -0.007 1.00 0.75 C ATOM 2255 OD1 ASP A 161 -17.221 1.265 -0.854 1.00 1.37 O ATOM 2256 OD2 ASP A 161 -17.102 0.587 1.187 1.00 1.26 O ATOM 0 H ASP A 161 -17.346 -3.428 -1.323 1.00 0.40 H new ATOM 0 HA ASP A 161 -15.751 -0.981 -1.703 1.00 0.51 H new ATOM 0 HB2 ASP A 161 -18.262 -1.060 -1.257 1.00 0.66 H new ATOM 0 HB3 ASP A 161 -17.902 -1.642 0.356 1.00 0.66 H new ATOM 2261 N MET A 162 -15.419 -2.964 0.910 1.00 0.30 N ATOM 2262 CA MET A 162 -14.508 -3.242 2.054 1.00 0.25 C ATOM 2263 C MET A 162 -13.084 -3.390 1.504 1.00 0.16 C ATOM 2264 O MET A 162 -12.120 -2.997 2.128 1.00 0.12 O ATOM 2265 CB MET A 162 -14.993 -4.521 2.792 1.00 0.30 C ATOM 2266 CG MET A 162 -13.915 -5.624 2.842 1.00 0.23 C ATOM 2267 SD MET A 162 -12.602 -5.146 3.998 1.00 0.87 S ATOM 2268 CE MET A 162 -11.198 -5.421 2.884 1.00 0.08 C ATOM 0 H MET A 162 -16.148 -3.660 0.754 1.00 0.30 H new ATOM 0 HA MET A 162 -14.513 -2.428 2.779 1.00 0.25 H new ATOM 0 HB2 MET A 162 -15.287 -4.260 3.809 1.00 0.30 H new ATOM 0 HB3 MET A 162 -15.881 -4.909 2.293 1.00 0.30 H new ATOM 0 HG2 MET A 162 -14.361 -6.568 3.154 1.00 0.23 H new ATOM 0 HG3 MET A 162 -13.497 -5.783 1.848 1.00 0.23 H new ATOM 0 HE1 MET A 162 -10.441 -6.018 3.393 1.00 0.08 H new ATOM 0 HE2 MET A 162 -11.538 -5.950 1.993 1.00 0.08 H new ATOM 0 HE3 MET A 162 -10.770 -4.461 2.595 1.00 0.08 H new ATOM 2278 N THR A 163 -12.952 -3.953 0.334 1.00 0.14 N ATOM 2279 CA THR A 163 -11.601 -4.126 -0.267 1.00 0.08 C ATOM 2280 C THR A 163 -10.876 -2.778 -0.276 1.00 0.08 C ATOM 2281 O THR A 163 -9.716 -2.683 0.062 1.00 0.14 O ATOM 2282 CB THR A 163 -11.749 -4.641 -1.701 1.00 0.07 C ATOM 2283 OG1 THR A 163 -12.443 -5.882 -1.690 1.00 0.09 O ATOM 2284 CG2 THR A 163 -10.367 -4.835 -2.323 1.00 0.09 C ATOM 0 H THR A 163 -13.725 -4.302 -0.233 1.00 0.14 H new ATOM 0 HA THR A 163 -11.025 -4.843 0.318 1.00 0.08 H new ATOM 0 HB THR A 163 -12.311 -3.915 -2.289 1.00 0.07 H new ATOM 0 HG1 THR A 163 -13.408 -5.718 -1.742 1.00 0.09 H new ATOM 0 HG21 THR A 163 -10.476 -5.202 -3.344 1.00 0.09 H new ATOM 0 HG22 THR A 163 -9.836 -3.883 -2.334 1.00 0.09 H new ATOM 0 HG23 THR A 163 -9.802 -5.559 -1.736 1.00 0.09 H new ATOM 2292 N THR A 164 -11.560 -1.734 -0.652 1.00 0.10 N ATOM 2293 CA THR A 164 -10.917 -0.391 -0.674 1.00 0.08 C ATOM 2294 C THR A 164 -10.540 0.016 0.753 1.00 0.10 C ATOM 2295 O THR A 164 -9.550 0.682 0.981 1.00 0.13 O ATOM 2296 CB THR A 164 -11.903 0.628 -1.253 1.00 0.07 C ATOM 2297 OG1 THR A 164 -13.017 0.753 -0.381 1.00 1.58 O ATOM 2298 CG2 THR A 164 -12.380 0.154 -2.626 1.00 1.63 C ATOM 0 H THR A 164 -12.537 -1.753 -0.945 1.00 0.10 H new ATOM 0 HA THR A 164 -10.018 -0.423 -1.290 1.00 0.08 H new ATOM 0 HB THR A 164 -11.410 1.595 -1.355 1.00 0.07 H new ATOM 0 HG1 THR A 164 -13.428 -0.126 -0.247 1.00 1.58 H new ATOM 0 HG21 THR A 164 -13.082 0.879 -3.038 1.00 1.63 H new ATOM 0 HG22 THR A 164 -11.525 0.057 -3.295 1.00 1.63 H new ATOM 0 HG23 THR A 164 -12.874 -0.812 -2.526 1.00 1.63 H new ATOM 2306 N HIS A 165 -11.330 -0.380 1.714 1.00 0.09 N ATOM 2307 CA HIS A 165 -11.036 -0.023 3.132 1.00 0.10 C ATOM 2308 C HIS A 165 -9.711 -0.664 3.569 1.00 0.08 C ATOM 2309 O HIS A 165 -8.744 0.019 3.844 1.00 0.11 O ATOM 2310 CB HIS A 165 -12.192 -0.528 4.017 1.00 0.10 C ATOM 2311 CG HIS A 165 -11.802 -0.512 5.478 1.00 0.28 C ATOM 2312 ND1 HIS A 165 -11.388 -1.657 6.141 1.00 0.52 N ATOM 2313 CD2 HIS A 165 -11.759 0.496 6.409 1.00 0.39 C ATOM 2314 CE1 HIS A 165 -11.116 -1.314 7.412 1.00 0.64 C ATOM 2315 NE2 HIS A 165 -11.326 -0.013 7.630 1.00 0.55 N ATOM 0 H HIS A 165 -12.172 -0.939 1.577 1.00 0.09 H new ATOM 0 HA HIS A 165 -10.943 1.058 3.233 1.00 0.10 H new ATOM 0 HB2 HIS A 165 -13.072 0.098 3.865 1.00 0.10 H new ATOM 0 HB3 HIS A 165 -12.466 -1.541 3.721 1.00 0.10 H new ATOM 0 HD1 HIS A 165 -11.305 -2.590 5.738 1.00 0.52 H new ATOM 0 HD2 HIS A 165 -12.021 1.527 6.222 1.00 0.39 H new ATOM 0 HE1 HIS A 165 -10.770 -2.006 8.165 1.00 0.64 H new ATOM 2323 N LEU A 166 -9.668 -1.964 3.660 1.00 0.10 N ATOM 2324 CA LEU A 166 -8.417 -2.643 4.108 1.00 0.09 C ATOM 2325 C LEU A 166 -7.216 -2.153 3.295 1.00 0.08 C ATOM 2326 O LEU A 166 -6.132 -2.015 3.825 1.00 0.08 O ATOM 2327 CB LEU A 166 -8.574 -4.164 3.954 1.00 0.11 C ATOM 2328 CG LEU A 166 -7.467 -4.914 4.719 1.00 0.46 C ATOM 2329 CD1 LEU A 166 -6.118 -4.723 4.022 1.00 1.74 C ATOM 2330 CD2 LEU A 166 -7.372 -4.397 6.159 1.00 1.40 C ATOM 0 H LEU A 166 -10.446 -2.588 3.443 1.00 0.10 H new ATOM 0 HA LEU A 166 -8.241 -2.401 5.156 1.00 0.09 H new ATOM 0 HB2 LEU A 166 -9.551 -4.472 4.327 1.00 0.11 H new ATOM 0 HB3 LEU A 166 -8.537 -4.432 2.898 1.00 0.11 H new ATOM 0 HG LEU A 166 -7.718 -5.975 4.733 1.00 0.46 H new ATOM 0 HD11 LEU A 166 -5.345 -5.258 4.573 1.00 1.74 H new ATOM 0 HD12 LEU A 166 -6.175 -5.113 3.006 1.00 1.74 H new ATOM 0 HD13 LEU A 166 -5.872 -3.662 3.990 1.00 1.74 H new ATOM 0 HD21 LEU A 166 -6.586 -4.936 6.688 1.00 1.40 H new ATOM 0 HD22 LEU A 166 -7.139 -3.332 6.149 1.00 1.40 H new ATOM 0 HD23 LEU A 166 -8.324 -4.555 6.666 1.00 1.40 H new ATOM 2342 N ILE A 167 -7.376 -1.886 2.023 1.00 0.07 N ATOM 2343 CA ILE A 167 -6.203 -1.409 1.233 1.00 0.07 C ATOM 2344 C ILE A 167 -5.668 -0.130 1.881 1.00 0.12 C ATOM 2345 O ILE A 167 -4.496 -0.018 2.179 1.00 0.15 O ATOM 2346 CB ILE A 167 -6.614 -1.128 -0.219 1.00 0.07 C ATOM 2347 CG1 ILE A 167 -6.962 -2.452 -0.905 1.00 0.07 C ATOM 2348 CG2 ILE A 167 -5.450 -0.459 -0.968 1.00 0.12 C ATOM 2349 CD1 ILE A 167 -7.689 -2.173 -2.221 1.00 0.10 C ATOM 0 H ILE A 167 -8.251 -1.976 1.506 1.00 0.07 H new ATOM 0 HA ILE A 167 -5.430 -2.177 1.226 1.00 0.07 H new ATOM 0 HB ILE A 167 -7.478 -0.464 -0.231 1.00 0.07 H new ATOM 0 HG12 ILE A 167 -6.054 -3.025 -1.094 1.00 0.07 H new ATOM 0 HG13 ILE A 167 -7.591 -3.057 -0.252 1.00 0.07 H new ATOM 0 HG21 ILE A 167 -5.746 -0.261 -1.998 1.00 0.12 H new ATOM 0 HG22 ILE A 167 -5.194 0.480 -0.478 1.00 0.12 H new ATOM 0 HG23 ILE A 167 -4.584 -1.121 -0.960 1.00 0.12 H new ATOM 0 HD11 ILE A 167 -7.936 -3.117 -2.708 1.00 0.10 H new ATOM 0 HD12 ILE A 167 -8.605 -1.618 -2.020 1.00 0.10 H new ATOM 0 HD13 ILE A 167 -7.045 -1.585 -2.875 1.00 0.10 H new ATOM 2361 N LEU A 168 -6.521 0.828 2.110 1.00 0.14 N ATOM 2362 CA LEU A 168 -6.064 2.091 2.751 1.00 0.20 C ATOM 2363 C LEU A 168 -5.592 1.789 4.177 1.00 0.22 C ATOM 2364 O LEU A 168 -4.856 2.551 4.772 1.00 0.28 O ATOM 2365 CB LEU A 168 -7.224 3.087 2.801 1.00 0.24 C ATOM 2366 CG LEU A 168 -7.852 3.218 1.412 1.00 0.17 C ATOM 2367 CD1 LEU A 168 -9.371 3.304 1.548 1.00 0.50 C ATOM 2368 CD2 LEU A 168 -7.328 4.487 0.734 1.00 0.29 C ATOM 0 H LEU A 168 -7.514 0.791 1.881 1.00 0.14 H new ATOM 0 HA LEU A 168 -5.244 2.518 2.174 1.00 0.20 H new ATOM 0 HB2 LEU A 168 -7.973 2.752 3.519 1.00 0.24 H new ATOM 0 HB3 LEU A 168 -6.867 4.059 3.142 1.00 0.24 H new ATOM 0 HG LEU A 168 -7.589 2.349 0.809 1.00 0.17 H new ATOM 0 HD11 LEU A 168 -9.820 3.397 0.559 1.00 0.50 H new ATOM 0 HD12 LEU A 168 -9.745 2.402 2.032 1.00 0.50 H new ATOM 0 HD13 LEU A 168 -9.634 4.174 2.149 1.00 0.50 H new ATOM 0 HD21 LEU A 168 -7.775 4.582 -0.256 1.00 0.29 H new ATOM 0 HD22 LEU A 168 -7.592 5.357 1.336 1.00 0.29 H new ATOM 0 HD23 LEU A 168 -6.244 4.427 0.639 1.00 0.29 H new ATOM 2380 N ARG A 169 -6.011 0.681 4.730 1.00 0.18 N ATOM 2381 CA ARG A 169 -5.594 0.326 6.115 1.00 0.23 C ATOM 2382 C ARG A 169 -4.124 -0.101 6.118 1.00 0.21 C ATOM 2383 O ARG A 169 -3.383 0.200 7.034 1.00 0.20 O ATOM 2384 CB ARG A 169 -6.458 -0.829 6.621 1.00 0.27 C ATOM 2385 CG ARG A 169 -6.857 -0.571 8.074 1.00 0.24 C ATOM 2386 CD ARG A 169 -6.451 -1.771 8.934 1.00 0.81 C ATOM 2387 NE ARG A 169 -7.500 -2.023 9.961 1.00 1.06 N ATOM 2388 CZ ARG A 169 -7.677 -1.175 10.937 1.00 0.89 C ATOM 2389 NH1 ARG A 169 -6.832 -1.136 11.930 1.00 1.13 N ATOM 2390 NH2 ARG A 169 -8.700 -0.364 10.918 1.00 2.20 N ATOM 0 H ARG A 169 -6.627 0.005 4.278 1.00 0.18 H new ATOM 0 HA ARG A 169 -5.719 1.192 6.765 1.00 0.23 H new ATOM 0 HB2 ARG A 169 -7.349 -0.929 6.001 1.00 0.27 H new ATOM 0 HB3 ARG A 169 -5.909 -1.768 6.545 1.00 0.27 H new ATOM 0 HG2 ARG A 169 -6.372 0.334 8.441 1.00 0.24 H new ATOM 0 HG3 ARG A 169 -7.932 -0.407 8.144 1.00 0.24 H new ATOM 0 HD2 ARG A 169 -6.321 -2.653 8.308 1.00 0.81 H new ATOM 0 HD3 ARG A 169 -5.493 -1.579 9.417 1.00 0.81 H new ATOM 0 HE ARG A 169 -8.081 -2.859 9.901 1.00 1.06 H new ATOM 0 HH11 ARG A 169 -6.032 -1.769 11.944 1.00 1.13 H new ATOM 0 HH12 ARG A 169 -6.971 -0.473 12.692 1.00 1.13 H new ATOM 0 HH21 ARG A 169 -9.360 -0.394 10.141 1.00 2.20 H new ATOM 0 HH22 ARG A 169 -8.839 0.299 11.680 1.00 2.20 H new ATOM 2404 N SER A 170 -3.689 -0.791 5.098 1.00 0.20 N ATOM 2405 CA SER A 170 -2.275 -1.222 5.048 1.00 0.19 C ATOM 2406 C SER A 170 -1.426 -0.016 4.684 1.00 0.19 C ATOM 2407 O SER A 170 -0.439 0.274 5.312 1.00 0.20 O ATOM 2408 CB SER A 170 -2.107 -2.310 3.986 1.00 0.17 C ATOM 2409 OG SER A 170 -2.929 -3.422 4.318 1.00 1.12 O ATOM 0 H SER A 170 -4.258 -1.072 4.299 1.00 0.20 H new ATOM 0 HA SER A 170 -1.967 -1.623 6.013 1.00 0.19 H new ATOM 0 HB2 SER A 170 -2.380 -1.922 3.005 1.00 0.17 H new ATOM 0 HB3 SER A 170 -1.063 -2.619 3.928 1.00 0.17 H new ATOM 0 HG SER A 170 -2.374 -4.225 4.405 1.00 1.12 H new ATOM 2415 N PHE A 171 -1.815 0.710 3.681 1.00 0.18 N ATOM 2416 CA PHE A 171 -1.025 1.907 3.296 1.00 0.20 C ATOM 2417 C PHE A 171 -0.821 2.794 4.525 1.00 0.22 C ATOM 2418 O PHE A 171 0.256 3.287 4.772 1.00 0.20 O ATOM 2419 CB PHE A 171 -1.767 2.674 2.205 1.00 0.20 C ATOM 2420 CG PHE A 171 -1.427 2.062 0.871 1.00 0.19 C ATOM 2421 CD1 PHE A 171 -1.764 0.729 0.605 1.00 0.40 C ATOM 2422 CD2 PHE A 171 -0.759 2.820 -0.093 1.00 0.49 C ATOM 2423 CE1 PHE A 171 -1.434 0.157 -0.627 1.00 0.39 C ATOM 2424 CE2 PHE A 171 -0.424 2.248 -1.325 1.00 0.51 C ATOM 2425 CZ PHE A 171 -0.762 0.916 -1.593 1.00 0.20 C ATOM 0 H PHE A 171 -2.642 0.529 3.112 1.00 0.18 H new ATOM 0 HA PHE A 171 -0.051 1.603 2.913 1.00 0.20 H new ATOM 0 HB2 PHE A 171 -2.842 2.632 2.378 1.00 0.20 H new ATOM 0 HB3 PHE A 171 -1.483 3.726 2.222 1.00 0.20 H new ATOM 0 HD1 PHE A 171 -2.279 0.143 1.352 1.00 0.40 H new ATOM 0 HD2 PHE A 171 -0.501 3.848 0.113 1.00 0.49 H new ATOM 0 HE1 PHE A 171 -1.697 -0.870 -0.834 1.00 0.39 H new ATOM 0 HE2 PHE A 171 0.095 2.834 -2.069 1.00 0.51 H new ATOM 0 HZ PHE A 171 -0.505 0.474 -2.544 1.00 0.20 H new ATOM 2435 N LYS A 172 -1.839 2.982 5.311 1.00 0.26 N ATOM 2436 CA LYS A 172 -1.687 3.821 6.530 1.00 0.28 C ATOM 2437 C LYS A 172 -0.594 3.228 7.427 1.00 0.26 C ATOM 2438 O LYS A 172 0.443 3.829 7.640 1.00 0.24 O ATOM 2439 CB LYS A 172 -3.013 3.851 7.291 1.00 0.34 C ATOM 2440 CG LYS A 172 -4.064 4.581 6.454 1.00 1.19 C ATOM 2441 CD LYS A 172 -4.027 6.075 6.779 1.00 0.38 C ATOM 2442 CE LYS A 172 -5.195 6.424 7.702 1.00 1.29 C ATOM 2443 NZ LYS A 172 -5.399 7.901 7.708 1.00 1.08 N ATOM 0 H LYS A 172 -2.770 2.592 5.164 1.00 0.26 H new ATOM 0 HA LYS A 172 -1.408 4.835 6.243 1.00 0.28 H new ATOM 0 HB2 LYS A 172 -3.345 2.835 7.505 1.00 0.34 H new ATOM 0 HB3 LYS A 172 -2.883 4.353 8.250 1.00 0.34 H new ATOM 0 HG2 LYS A 172 -3.872 4.424 5.393 1.00 1.19 H new ATOM 0 HG3 LYS A 172 -5.055 4.177 6.662 1.00 1.19 H new ATOM 0 HD2 LYS A 172 -3.082 6.331 7.258 1.00 0.38 H new ATOM 0 HD3 LYS A 172 -4.088 6.660 5.861 1.00 0.38 H new ATOM 0 HE2 LYS A 172 -6.102 5.922 7.364 1.00 1.29 H new ATOM 0 HE3 LYS A 172 -4.992 6.070 8.713 1.00 1.29 H new ATOM 0 HZ1 LYS A 172 -6.193 8.139 8.336 1.00 1.08 H new ATOM 0 HZ2 LYS A 172 -4.535 8.369 8.049 1.00 1.08 H new ATOM 0 HZ3 LYS A 172 -5.611 8.226 6.743 1.00 1.08 H new ATOM 2457 N GLU A 173 -0.816 2.055 7.959 1.00 0.27 N ATOM 2458 CA GLU A 173 0.208 1.430 8.849 1.00 0.26 C ATOM 2459 C GLU A 173 1.408 0.962 8.019 1.00 0.23 C ATOM 2460 O GLU A 173 2.496 1.480 8.148 1.00 0.21 O ATOM 2461 CB GLU A 173 -0.411 0.228 9.565 1.00 0.30 C ATOM 2462 CG GLU A 173 -1.229 0.709 10.765 1.00 0.62 C ATOM 2463 CD GLU A 173 -0.439 0.468 12.051 1.00 0.78 C ATOM 2464 OE1 GLU A 173 0.774 0.357 11.964 1.00 1.85 O ATOM 2465 OE2 GLU A 173 -1.057 0.397 13.099 1.00 0.93 O ATOM 0 H GLU A 173 -1.661 1.502 7.816 1.00 0.27 H new ATOM 0 HA GLU A 173 0.543 2.165 9.581 1.00 0.26 H new ATOM 0 HB2 GLU A 173 -1.048 -0.329 8.878 1.00 0.30 H new ATOM 0 HB3 GLU A 173 0.373 -0.454 9.896 1.00 0.30 H new ATOM 0 HG2 GLU A 173 -1.459 1.769 10.660 1.00 0.62 H new ATOM 0 HG3 GLU A 173 -2.181 0.179 10.806 1.00 0.62 H new ATOM 2472 N PHE A 174 1.203 -0.028 7.185 1.00 0.21 N ATOM 2473 CA PHE A 174 2.301 -0.589 6.324 1.00 0.18 C ATOM 2474 C PHE A 174 3.289 0.501 5.868 1.00 0.16 C ATOM 2475 O PHE A 174 4.473 0.418 6.139 1.00 0.17 O ATOM 2476 CB PHE A 174 1.673 -1.245 5.091 1.00 0.16 C ATOM 2477 CG PHE A 174 2.627 -2.248 4.499 1.00 0.15 C ATOM 2478 CD1 PHE A 174 3.778 -1.810 3.839 1.00 0.88 C ATOM 2479 CD2 PHE A 174 2.356 -3.617 4.609 1.00 0.66 C ATOM 2480 CE1 PHE A 174 4.665 -2.740 3.288 1.00 0.98 C ATOM 2481 CE2 PHE A 174 3.244 -4.549 4.058 1.00 0.55 C ATOM 2482 CZ PHE A 174 4.398 -4.111 3.397 1.00 0.32 C ATOM 0 H PHE A 174 0.299 -0.484 7.059 1.00 0.21 H new ATOM 0 HA PHE A 174 2.858 -1.317 6.914 1.00 0.18 H new ATOM 0 HB2 PHE A 174 0.740 -1.737 5.366 1.00 0.16 H new ATOM 0 HB3 PHE A 174 1.426 -0.484 4.350 1.00 0.16 H new ATOM 0 HD1 PHE A 174 3.983 -0.753 3.754 1.00 0.88 H new ATOM 0 HD2 PHE A 174 1.465 -3.953 5.117 1.00 0.66 H new ATOM 0 HE1 PHE A 174 5.555 -2.402 2.779 1.00 0.98 H new ATOM 0 HE2 PHE A 174 3.039 -5.606 4.143 1.00 0.55 H new ATOM 0 HZ PHE A 174 5.082 -4.830 2.971 1.00 0.32 H new ATOM 2492 N LEU A 175 2.829 1.518 5.180 1.00 0.18 N ATOM 2493 CA LEU A 175 3.780 2.578 4.730 1.00 0.18 C ATOM 2494 C LEU A 175 4.382 3.269 5.954 1.00 0.19 C ATOM 2495 O LEU A 175 5.565 3.540 6.003 1.00 0.22 O ATOM 2496 CB LEU A 175 3.059 3.618 3.867 1.00 0.18 C ATOM 2497 CG LEU A 175 2.661 3.005 2.521 1.00 0.18 C ATOM 2498 CD1 LEU A 175 1.471 3.767 1.944 1.00 0.18 C ATOM 2499 CD2 LEU A 175 3.827 3.109 1.536 1.00 0.18 C ATOM 0 H LEU A 175 1.854 1.658 4.915 1.00 0.18 H new ATOM 0 HA LEU A 175 4.567 2.114 4.136 1.00 0.18 H new ATOM 0 HB2 LEU A 175 2.172 3.980 4.386 1.00 0.18 H new ATOM 0 HB3 LEU A 175 3.707 4.479 3.705 1.00 0.18 H new ATOM 0 HG LEU A 175 2.399 1.958 2.676 1.00 0.18 H new ATOM 0 HD11 LEU A 175 1.189 3.330 0.986 1.00 0.18 H new ATOM 0 HD12 LEU A 175 0.629 3.704 2.634 1.00 0.18 H new ATOM 0 HD13 LEU A 175 1.744 4.812 1.799 1.00 0.18 H new ATOM 0 HD21 LEU A 175 3.537 2.671 0.581 1.00 0.18 H new ATOM 0 HD22 LEU A 175 4.088 4.157 1.390 1.00 0.18 H new ATOM 0 HD23 LEU A 175 4.689 2.573 1.934 1.00 0.18 H new ATOM 2511 N GLN A 176 3.581 3.557 6.950 1.00 0.17 N ATOM 2512 CA GLN A 176 4.120 4.228 8.170 1.00 0.18 C ATOM 2513 C GLN A 176 5.332 3.450 8.690 1.00 0.19 C ATOM 2514 O GLN A 176 6.231 4.006 9.292 1.00 0.48 O ATOM 2515 CB GLN A 176 3.034 4.266 9.251 1.00 0.16 C ATOM 2516 CG GLN A 176 2.517 5.698 9.402 1.00 0.19 C ATOM 2517 CD GLN A 176 2.834 6.214 10.806 1.00 0.82 C ATOM 2518 OE1 GLN A 176 3.055 5.440 11.716 1.00 1.49 O ATOM 2519 NE2 GLN A 176 2.861 7.501 11.024 1.00 1.60 N ATOM 0 H GLN A 176 2.581 3.357 6.970 1.00 0.17 H new ATOM 0 HA GLN A 176 4.423 5.245 7.922 1.00 0.18 H new ATOM 0 HB2 GLN A 176 2.215 3.598 8.983 1.00 0.16 H new ATOM 0 HB3 GLN A 176 3.437 3.911 10.200 1.00 0.16 H new ATOM 0 HG2 GLN A 176 2.979 6.343 8.654 1.00 0.19 H new ATOM 0 HG3 GLN A 176 1.441 5.727 9.227 1.00 0.19 H new ATOM 0 HE21 GLN A 176 2.676 8.152 10.261 1.00 1.60 H new ATOM 0 HE22 GLN A 176 3.068 7.856 11.958 1.00 1.60 H new ATOM 2528 N SER A 177 5.367 2.168 8.452 1.00 0.20 N ATOM 2529 CA SER A 177 6.518 1.352 8.920 1.00 0.22 C ATOM 2530 C SER A 177 7.694 1.552 7.965 1.00 0.19 C ATOM 2531 O SER A 177 8.836 1.623 8.375 1.00 0.16 O ATOM 2532 CB SER A 177 6.118 -0.124 8.936 1.00 0.31 C ATOM 2533 OG SER A 177 4.841 -0.256 9.546 1.00 0.60 O ATOM 0 H SER A 177 4.644 1.650 7.952 1.00 0.20 H new ATOM 0 HA SER A 177 6.806 1.661 9.925 1.00 0.22 H new ATOM 0 HB2 SER A 177 6.091 -0.517 7.920 1.00 0.31 H new ATOM 0 HB3 SER A 177 6.858 -0.708 9.484 1.00 0.31 H new ATOM 0 HG SER A 177 4.580 -1.200 9.557 1.00 0.60 H new ATOM 2539 N SER A 178 7.423 1.643 6.692 1.00 0.24 N ATOM 2540 CA SER A 178 8.523 1.839 5.707 1.00 0.23 C ATOM 2541 C SER A 178 9.219 3.176 5.975 1.00 0.16 C ATOM 2542 O SER A 178 10.389 3.345 5.692 1.00 0.26 O ATOM 2543 CB SER A 178 7.946 1.842 4.292 1.00 0.29 C ATOM 2544 OG SER A 178 8.987 1.582 3.359 1.00 1.27 O ATOM 0 H SER A 178 6.486 1.590 6.291 1.00 0.24 H new ATOM 0 HA SER A 178 9.244 1.028 5.805 1.00 0.23 H new ATOM 0 HB2 SER A 178 7.166 1.086 4.204 1.00 0.29 H new ATOM 0 HB3 SER A 178 7.483 2.805 4.078 1.00 0.29 H new ATOM 0 HG SER A 178 8.713 1.888 2.469 1.00 1.27 H new ATOM 2550 N LEU A 179 8.511 4.129 6.517 1.00 0.10 N ATOM 2551 CA LEU A 179 9.135 5.453 6.802 1.00 0.04 C ATOM 2552 C LEU A 179 9.984 5.355 8.071 1.00 0.06 C ATOM 2553 O LEU A 179 11.152 5.687 8.075 1.00 0.08 O ATOM 2554 CB LEU A 179 8.039 6.503 7.005 1.00 0.08 C ATOM 2555 CG LEU A 179 7.241 6.669 5.710 1.00 0.54 C ATOM 2556 CD1 LEU A 179 5.746 6.691 6.032 1.00 0.60 C ATOM 2557 CD2 LEU A 179 7.632 7.985 5.036 1.00 1.02 C ATOM 0 H LEU A 179 7.527 4.048 6.775 1.00 0.10 H new ATOM 0 HA LEU A 179 9.766 5.743 5.962 1.00 0.04 H new ATOM 0 HB2 LEU A 179 7.377 6.200 7.816 1.00 0.08 H new ATOM 0 HB3 LEU A 179 8.483 7.455 7.295 1.00 0.08 H new ATOM 0 HG LEU A 179 7.459 5.837 5.041 1.00 0.54 H new ATOM 0 HD11 LEU A 179 5.177 6.809 5.110 1.00 0.60 H new ATOM 0 HD12 LEU A 179 5.464 5.755 6.515 1.00 0.60 H new ATOM 0 HD13 LEU A 179 5.530 7.524 6.701 1.00 0.60 H new ATOM 0 HD21 LEU A 179 7.064 8.104 4.113 1.00 1.02 H new ATOM 0 HD22 LEU A 179 7.413 8.816 5.706 1.00 1.02 H new ATOM 0 HD23 LEU A 179 8.698 7.974 4.807 1.00 1.02 H new ATOM 2569 N ARG A 180 9.405 4.901 9.151 1.00 0.16 N ATOM 2570 CA ARG A 180 10.183 4.785 10.418 1.00 0.20 C ATOM 2571 C ARG A 180 11.387 3.865 10.198 1.00 0.24 C ATOM 2572 O ARG A 180 12.370 3.934 10.910 1.00 0.29 O ATOM 2573 CB ARG A 180 9.290 4.206 11.519 1.00 0.14 C ATOM 2574 CG ARG A 180 10.013 4.299 12.864 1.00 1.23 C ATOM 2575 CD ARG A 180 10.058 2.917 13.519 1.00 2.56 C ATOM 2576 NE ARG A 180 11.275 2.814 14.374 1.00 3.81 N ATOM 2577 CZ ARG A 180 11.269 2.044 15.430 1.00 4.73 C ATOM 2578 NH1 ARG A 180 10.671 0.886 15.391 1.00 5.37 N ATOM 2579 NH2 ARG A 180 11.867 2.434 16.523 1.00 5.26 N ATOM 0 H ARG A 180 8.430 4.607 9.210 1.00 0.16 H new ATOM 0 HA ARG A 180 10.532 5.773 10.719 1.00 0.20 H new ATOM 0 HB2 ARG A 180 8.348 4.752 11.562 1.00 0.14 H new ATOM 0 HB3 ARG A 180 9.047 3.167 11.296 1.00 0.14 H new ATOM 0 HG2 ARG A 180 11.025 4.677 12.719 1.00 1.23 H new ATOM 0 HG3 ARG A 180 9.499 5.005 13.516 1.00 1.23 H new ATOM 0 HD2 ARG A 180 9.163 2.758 14.120 1.00 2.56 H new ATOM 0 HD3 ARG A 180 10.070 2.140 12.754 1.00 2.56 H new ATOM 0 HE ARG A 180 12.113 3.345 14.135 1.00 3.81 H new ATOM 0 HH11 ARG A 180 10.207 0.580 14.536 1.00 5.37 H new ATOM 0 HH12 ARG A 180 10.667 0.286 16.216 1.00 5.37 H new ATOM 0 HH21 ARG A 180 12.338 3.338 16.552 1.00 5.26 H new ATOM 0 HH22 ARG A 180 11.863 1.834 17.348 1.00 5.26 H new ATOM 2593 N ALA A 181 11.325 3.011 9.213 1.00 0.25 N ATOM 2594 CA ALA A 181 12.468 2.098 8.948 1.00 0.32 C ATOM 2595 C ALA A 181 13.526 2.856 8.151 1.00 0.41 C ATOM 2596 O ALA A 181 14.711 2.694 8.358 1.00 0.51 O ATOM 2597 CB ALA A 181 11.987 0.891 8.140 1.00 0.33 C ATOM 0 H ALA A 181 10.531 2.908 8.581 1.00 0.25 H new ATOM 0 HA ALA A 181 12.890 1.750 9.891 1.00 0.32 H new ATOM 0 HB1 ALA A 181 12.827 0.224 7.947 1.00 0.33 H new ATOM 0 HB2 ALA A 181 11.222 0.357 8.704 1.00 0.33 H new ATOM 0 HB3 ALA A 181 11.569 1.231 7.192 1.00 0.33 H new ATOM 2603 N LEU A 182 13.103 3.689 7.243 1.00 0.37 N ATOM 2604 CA LEU A 182 14.079 4.462 6.434 1.00 0.46 C ATOM 2605 C LEU A 182 14.910 5.356 7.356 1.00 0.38 C ATOM 2606 O LEU A 182 16.109 5.483 7.203 1.00 0.32 O ATOM 2607 CB LEU A 182 13.328 5.337 5.426 1.00 0.63 C ATOM 2608 CG LEU A 182 13.933 5.170 4.028 1.00 1.16 C ATOM 2609 CD1 LEU A 182 15.444 5.419 4.073 1.00 3.23 C ATOM 2610 CD2 LEU A 182 13.663 3.751 3.521 1.00 0.94 C ATOM 0 H LEU A 182 12.122 3.867 7.027 1.00 0.37 H new ATOM 0 HA LEU A 182 14.735 3.773 5.903 1.00 0.46 H new ATOM 0 HB2 LEU A 182 12.273 5.062 5.409 1.00 0.63 H new ATOM 0 HB3 LEU A 182 13.380 6.382 5.731 1.00 0.63 H new ATOM 0 HG LEU A 182 13.475 5.894 3.354 1.00 1.16 H new ATOM 0 HD11 LEU A 182 15.863 5.297 3.074 1.00 3.23 H new ATOM 0 HD12 LEU A 182 15.635 6.432 4.426 1.00 3.23 H new ATOM 0 HD13 LEU A 182 15.910 4.705 4.751 1.00 3.23 H new ATOM 0 HD21 LEU A 182 14.093 3.632 2.527 1.00 0.94 H new ATOM 0 HD22 LEU A 182 14.116 3.029 4.201 1.00 0.94 H new ATOM 0 HD23 LEU A 182 12.588 3.580 3.474 1.00 0.94 H new ATOM 2622 N ARG A 183 14.277 5.981 8.311 1.00 0.43 N ATOM 2623 CA ARG A 183 15.022 6.874 9.244 1.00 0.39 C ATOM 2624 C ARG A 183 15.730 6.033 10.310 1.00 0.30 C ATOM 2625 O ARG A 183 16.707 6.456 10.895 1.00 0.36 O ATOM 2626 CB ARG A 183 14.044 7.838 9.920 1.00 0.49 C ATOM 2627 CG ARG A 183 13.816 9.052 9.017 1.00 0.99 C ATOM 2628 CD ARG A 183 14.500 10.277 9.624 1.00 1.24 C ATOM 2629 NE ARG A 183 13.492 11.096 10.353 1.00 0.75 N ATOM 2630 CZ ARG A 183 13.287 10.894 11.624 1.00 0.80 C ATOM 2631 NH1 ARG A 183 14.210 11.208 12.491 1.00 1.46 N ATOM 2632 NH2 ARG A 183 12.160 10.375 12.028 1.00 1.98 N ATOM 0 H ARG A 183 13.274 5.912 8.486 1.00 0.43 H new ATOM 0 HA ARG A 183 15.764 7.442 8.683 1.00 0.39 H new ATOM 0 HB2 ARG A 183 13.097 7.334 10.116 1.00 0.49 H new ATOM 0 HB3 ARG A 183 14.440 8.158 10.884 1.00 0.49 H new ATOM 0 HG2 ARG A 183 14.213 8.857 8.021 1.00 0.99 H new ATOM 0 HG3 ARG A 183 12.748 9.238 8.903 1.00 0.99 H new ATOM 0 HD2 ARG A 183 15.292 9.965 10.305 1.00 1.24 H new ATOM 0 HD3 ARG A 183 14.969 10.871 8.840 1.00 1.24 H new ATOM 0 HE ARG A 183 12.963 11.814 9.858 1.00 0.75 H new ATOM 0 HH11 ARG A 183 15.092 11.611 12.174 1.00 1.46 H new ATOM 0 HH12 ARG A 183 14.050 11.050 13.486 1.00 1.46 H new ATOM 0 HH21 ARG A 183 11.440 10.128 11.349 1.00 1.98 H new ATOM 0 HH22 ARG A 183 11.999 10.217 13.023 1.00 1.98 H new ATOM 2646 N GLN A 184 15.253 4.846 10.563 1.00 0.24 N ATOM 2647 CA GLN A 184 15.905 3.985 11.581 1.00 0.22 C ATOM 2648 C GLN A 184 17.185 3.390 10.988 1.00 0.27 C ATOM 2649 O GLN A 184 18.057 2.933 11.701 1.00 0.31 O ATOM 2650 CB GLN A 184 14.939 2.865 11.976 1.00 0.24 C ATOM 2651 CG GLN A 184 15.647 1.858 12.880 1.00 1.53 C ATOM 2652 CD GLN A 184 16.143 2.564 14.143 1.00 1.33 C ATOM 2653 OE1 GLN A 184 15.483 3.442 14.662 1.00 0.38 O ATOM 2654 NE2 GLN A 184 17.289 2.217 14.662 1.00 2.49 N ATOM 0 H GLN A 184 14.438 4.437 10.106 1.00 0.24 H new ATOM 0 HA GLN A 184 16.159 4.570 12.465 1.00 0.22 H new ATOM 0 HB2 GLN A 184 14.075 3.284 12.492 1.00 0.24 H new ATOM 0 HB3 GLN A 184 14.565 2.364 11.083 1.00 0.24 H new ATOM 0 HG2 GLN A 184 14.965 1.051 13.146 1.00 1.53 H new ATOM 0 HG3 GLN A 184 16.486 1.405 12.351 1.00 1.53 H new ATOM 0 HE21 GLN A 184 17.844 1.480 14.227 1.00 2.49 H new ATOM 0 HE22 GLN A 184 17.630 2.683 15.503 1.00 2.49 H new ATOM 2663 N MET A 185 17.301 3.388 9.690 1.00 0.43 N ATOM 2664 CA MET A 185 18.517 2.821 9.056 1.00 0.54 C ATOM 2665 C MET A 185 19.699 3.770 9.265 1.00 0.89 C ATOM 2666 O MET A 185 20.819 3.352 9.026 1.00 1.30 O ATOM 2667 CB MET A 185 18.264 2.641 7.562 1.00 0.80 C ATOM 2668 CG MET A 185 17.351 1.435 7.351 1.00 0.59 C ATOM 2669 SD MET A 185 16.803 1.384 5.627 1.00 1.00 S ATOM 2670 CE MET A 185 15.363 0.322 5.888 1.00 0.66 C ATOM 2671 OXT MET A 185 19.462 4.899 9.664 1.00 1.92 O ATOM 0 H MET A 185 16.604 3.756 9.042 1.00 0.43 H new ATOM 0 HA MET A 185 18.749 1.857 9.509 1.00 0.54 H new ATOM 0 HB2 MET A 185 17.804 3.538 7.148 1.00 0.80 H new ATOM 0 HB3 MET A 185 19.207 2.495 7.036 1.00 0.80 H new ATOM 0 HG2 MET A 185 17.881 0.516 7.602 1.00 0.59 H new ATOM 0 HG3 MET A 185 16.489 1.498 8.016 1.00 0.59 H new ATOM 0 HE1 MET A 185 14.534 0.676 5.275 1.00 0.66 H new ATOM 0 HE2 MET A 185 15.610 -0.702 5.608 1.00 0.66 H new ATOM 0 HE3 MET A 185 15.075 0.351 6.939 1.00 0.66 H new