USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 175:sc= -3.04! USER MOD Set 1.2: A 120 GLN : amide:sc= -6.73! C(o=-9.8!,f=-3.5!) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0.137 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.18 K(o=0.32,f=-0.7!) USER MOD Set 3.1: A 20 TYR OH : rot 30:sc= 0.538 USER MOD Set 3.2: A 26 CYS SG : rot -156:sc= 0.356 USER MOD Set 4.1: A 8 SER OG : rot -97:sc= 0.237! USER MOD Set 4.2: A 10 TYR OH : rot -86:sc= 0.424 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.2 K(o=-1.2,f=-2!) USER MOD Single : A 16 GLN : amide:sc= -0.0665 X(o=-0.067,f=-0.13) USER MOD Single : A 22 CYS SG : rot 56:sc= -7.13! USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 36:sc= -5.28! USER MOD Single : A 37 ASN : amide:sc= -2.71! C(o=-2.7!,f=-2.9!) USER MOD Single : A 38 SER OG : rot -146:sc= -1.03 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -4.63! USER MOD Single : A 53 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.61) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 57 HIS : no HD1:sc= -3.37! X(o=-3.4!,f=-3.2) USER MOD Single : A 58 MET CE :methyl 161:sc= -0.148 (180deg=-1.44) USER MOD Single : A 59 TYR OH : rot -71:sc= 0.00548 USER MOD Single : A 63 GLN : amide:sc= -4.37! C(o=-4.4!,f=-6.1!) USER MOD Single : A 66 TYR OH : rot 171:sc= -0.389 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.8) USER MOD Single : A 81 SER OG : rot -157:sc= 1.68 USER MOD Single : A 82 CYS SG : rot -16:sc= -0.0351 USER MOD Single : A 86 HIS : no HD1:sc= -0.747 K(o=-0.75,f=-0.035) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.706 K(o=-0.71,f=-2.6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -2.77 X(o=-2.8,f=-2.4!) USER MOD Single : A 100 LYS NZ :NH3+ -128:sc= -0.0581 (180deg=-0.132) USER MOD Single : A 104 ASN : amide:sc= -0.0879 K(o=-0.088,f=-0.88) USER MOD Single : A 106 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.18) USER MOD Single : A 107 MET CE :methyl 172:sc= 0 (180deg=-0.0348) USER MOD Single : A 108 TYR OH : rot 180:sc=-0.00973 USER MOD Single : A 110 THR OG1 : rot 84:sc= 0.313 USER MOD Single : A 111 THR OG1 : rot 17:sc= 0.677 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 156:sc= -0.162 (180deg=-1.24!) USER MOD Single : A 122 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.5) USER MOD Single : A 127 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.38) USER MOD Single : A 128 SER OG : rot 122:sc= -0.727 USER MOD Single : A 129 CYS SG : rot 16:sc= 0.57 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 165:sc= -0.677 USER MOD Single : A 143 ASN : amide:sc= -0.508 K(o=-0.51,f=-1.1) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.5) USER MOD Single : A 149 TYR OH : rot -20:sc= 0.0128 USER MOD Single : A 153 LYS NZ :NH3+ 157:sc= -0.0753 (180deg=-0.505) USER MOD Single : A 154 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0761) USER MOD Single : A 156 TYR OH : rot 60:sc= 0.589 USER MOD Single : A 158 LYS NZ :NH3+ -160:sc= -0.0468 (180deg=-0.465) USER MOD Single : A 166 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 170 GLN : amide:sc= -0.687 K(o=-0.69,f=-0.17) USER MOD Single : A 171 SER OG : rot 41:sc= -0.0479 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.774 -11.634 0.777 1.00 0.52 N ATOM 51 CA GLY A 4 -16.120 -11.143 2.148 1.00 0.30 C ATOM 52 C GLY A 4 -14.812 -11.049 2.939 1.00 0.41 C ATOM 53 O GLY A 4 -14.399 -11.978 3.605 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.609 -10.170 2.096 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.817 -11.824 2.636 1.00 0.30 H new ATOM 57 N GLY A 5 -14.154 -9.923 2.845 1.00 0.01 N ATOM 58 CA GLY A 5 -12.861 -9.750 3.561 1.00 0.01 C ATOM 59 C GLY A 5 -13.097 -9.437 5.039 1.00 0.01 C ATOM 60 O GLY A 5 -14.093 -8.849 5.413 1.00 0.01 O ATOM 0 H GLY A 5 -14.459 -9.116 2.301 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.264 -10.657 3.467 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.290 -8.944 3.100 1.00 0.01 H new ATOM 64 N LYS A 6 -12.178 -9.826 5.882 1.00 0.00 N ATOM 65 CA LYS A 6 -12.322 -9.560 7.340 1.00 0.01 C ATOM 66 C LYS A 6 -10.931 -9.443 7.962 1.00 0.01 C ATOM 67 O LYS A 6 -10.040 -10.229 7.674 1.00 0.00 O ATOM 68 CB LYS A 6 -13.092 -10.699 8.012 1.00 0.02 C ATOM 69 CG LYS A 6 -13.450 -10.309 9.448 1.00 0.02 C ATOM 70 CD LYS A 6 -13.934 -11.549 10.205 1.00 0.02 C ATOM 71 CE LYS A 6 -15.206 -12.096 9.546 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.927 -12.975 10.509 1.00 0.02 N ATOM 0 H LYS A 6 -11.326 -10.321 5.619 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.874 -8.632 7.486 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.999 -10.919 7.449 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.489 -11.607 8.012 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.581 -9.880 9.948 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.227 -9.544 9.446 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -13.156 -12.313 10.205 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -14.133 -11.296 11.246 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.850 -11.273 9.236 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -14.950 -12.657 8.647 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.790 -13.346 10.062 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.312 -13.767 10.784 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.184 -12.427 11.354 1.00 0.02 H new ATOM 86 N ILE A 7 -10.753 -8.464 8.825 1.00 0.02 N ATOM 87 CA ILE A 7 -9.435 -8.259 9.505 1.00 0.00 C ATOM 88 C ILE A 7 -9.659 -8.107 11.014 1.00 0.02 C ATOM 89 O ILE A 7 -10.613 -7.490 11.453 1.00 0.01 O ATOM 90 CB ILE A 7 -8.742 -7.021 8.926 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.510 -6.678 9.771 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.707 -5.841 8.932 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.651 -5.652 9.028 1.00 0.02 C ATOM 0 H ILE A 7 -11.475 -7.793 9.087 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.792 -9.122 9.334 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.433 -7.230 7.902 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.818 -6.279 10.737 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.929 -7.579 9.969 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.210 -4.963 8.520 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.580 -6.082 8.326 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.021 -5.633 9.955 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.775 -5.408 9.629 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.332 -6.068 8.073 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.234 -4.748 8.853 1.00 0.02 H new ATOM 105 N SER A 8 -8.771 -8.654 11.811 1.00 0.02 N ATOM 106 CA SER A 8 -8.895 -8.540 13.302 1.00 0.02 C ATOM 107 C SER A 8 -7.626 -7.895 13.870 1.00 0.01 C ATOM 108 O SER A 8 -6.527 -8.312 13.578 1.00 0.02 O ATOM 109 CB SER A 8 -9.080 -9.925 13.918 1.00 0.30 C ATOM 110 OG SER A 8 -8.650 -9.897 15.272 1.00 0.39 O ATOM 0 H SER A 8 -7.958 -9.180 11.490 1.00 0.02 H new ATOM 0 HA SER A 8 -9.761 -7.923 13.543 1.00 0.02 H new ATOM 0 HB2 SER A 8 -10.127 -10.223 13.863 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.508 -10.664 13.358 1.00 0.30 H new ATOM 0 HG SER A 8 -7.728 -10.224 15.329 1.00 0.39 H new ATOM 116 N PHE A 9 -7.784 -6.889 14.701 1.00 0.02 N ATOM 117 CA PHE A 9 -6.601 -6.208 15.325 1.00 0.01 C ATOM 118 C PHE A 9 -6.559 -6.552 16.817 1.00 0.01 C ATOM 119 O PHE A 9 -7.583 -6.595 17.467 1.00 0.02 O ATOM 120 CB PHE A 9 -6.739 -4.685 15.185 1.00 0.02 C ATOM 121 CG PHE A 9 -7.085 -4.304 13.764 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.380 -4.524 13.280 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.121 -3.715 12.937 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.709 -4.157 11.971 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.449 -3.350 11.627 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.745 -3.572 11.144 1.00 0.02 C ATOM 0 H PHE A 9 -8.689 -6.508 14.976 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.692 -6.543 14.826 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.512 -4.322 15.862 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.807 -4.203 15.478 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.125 -4.977 13.917 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.123 -3.542 13.311 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.709 -4.326 11.599 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.704 -2.898 10.989 1.00 0.02 H new ATOM 0 HZ PHE A 9 -8.000 -3.291 10.133 1.00 0.02 H new ATOM 136 N TYR A 10 -5.388 -6.794 17.365 1.00 0.02 N ATOM 137 CA TYR A 10 -5.277 -7.136 18.822 1.00 0.01 C ATOM 138 C TYR A 10 -4.345 -6.137 19.516 1.00 0.02 C ATOM 139 O TYR A 10 -3.334 -5.720 18.972 1.00 0.01 O ATOM 140 CB TYR A 10 -4.698 -8.543 18.979 1.00 0.02 C ATOM 141 CG TYR A 10 -5.475 -9.520 18.126 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.313 -9.520 16.736 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.348 -10.436 18.729 1.00 0.00 C ATOM 144 CE1 TYR A 10 -6.023 -10.434 15.948 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.059 -11.349 17.940 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.897 -11.348 16.551 1.00 0.00 C ATOM 147 OH TYR A 10 -7.598 -12.248 15.775 1.00 0.02 O ATOM 0 H TYR A 10 -4.501 -6.769 16.862 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.268 -7.092 19.273 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.648 -8.548 18.687 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.739 -8.848 20.025 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.640 -8.815 16.271 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.472 -10.438 19.802 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.897 -10.434 14.875 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.733 -12.054 18.404 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.429 -11.833 15.463 1.00 0.02 H new ATOM 157 N GLU A 11 -4.706 -5.718 20.704 1.00 0.00 N ATOM 158 CA GLU A 11 -3.878 -4.709 21.428 1.00 0.02 C ATOM 159 C GLU A 11 -2.541 -5.292 21.893 1.00 0.03 C ATOM 160 O GLU A 11 -1.584 -4.561 22.054 1.00 0.03 O ATOM 161 CB GLU A 11 -4.643 -4.215 22.659 1.00 0.00 C ATOM 162 CG GLU A 11 -6.002 -3.660 22.233 1.00 0.00 C ATOM 163 CD GLU A 11 -6.587 -2.808 23.363 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.296 -3.100 24.511 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.315 -1.877 23.059 1.00 0.01 O ATOM 0 H GLU A 11 -5.539 -6.032 21.202 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.677 -3.892 20.735 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -4.779 -5.033 23.367 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.068 -3.443 23.171 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.894 -3.059 21.330 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.681 -4.478 21.992 1.00 0.00 H new ATOM 172 N ASP A 12 -2.450 -6.583 22.122 1.00 0.02 N ATOM 173 CA ASP A 12 -1.152 -7.176 22.590 1.00 0.01 C ATOM 174 C ASP A 12 -0.576 -8.115 21.528 1.00 0.02 C ATOM 175 O ASP A 12 -1.215 -8.444 20.548 1.00 0.02 O ATOM 176 CB ASP A 12 -1.383 -7.973 23.876 1.00 0.01 C ATOM 177 CG ASP A 12 -2.149 -7.111 24.880 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.624 -6.058 24.486 1.00 0.03 O ATOM 179 OD2 ASP A 12 -2.249 -7.517 26.026 1.00 0.02 O ATOM 0 H ASP A 12 -3.214 -7.249 22.006 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.450 -6.363 22.772 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -1.945 -8.881 23.658 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.428 -8.283 24.301 1.00 0.01 H new ATOM 184 N ARG A 13 0.642 -8.532 21.731 1.00 0.02 N ATOM 185 CA ARG A 13 1.316 -9.440 20.762 1.00 0.02 C ATOM 186 C ARG A 13 0.745 -10.856 20.881 1.00 0.00 C ATOM 187 O ARG A 13 0.208 -11.245 21.899 1.00 0.02 O ATOM 188 CB ARG A 13 2.811 -9.472 21.089 1.00 0.00 C ATOM 189 CG ARG A 13 3.426 -8.095 20.825 1.00 0.01 C ATOM 190 CD ARG A 13 4.786 -7.999 21.518 1.00 0.02 C ATOM 191 NE ARG A 13 5.505 -6.785 21.039 1.00 0.03 N ATOM 192 CZ ARG A 13 6.538 -6.333 21.698 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.941 -6.942 22.780 1.00 0.02 N ATOM 194 NH2 ARG A 13 7.168 -5.272 21.275 1.00 0.02 N ATOM 0 H ARG A 13 1.208 -8.278 22.541 1.00 0.02 H new ATOM 0 HA ARG A 13 1.153 -9.078 19.747 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.959 -9.753 22.132 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.310 -10.227 20.481 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.541 -7.936 19.753 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.763 -7.313 21.194 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.653 -7.952 22.599 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.377 -8.891 21.308 1.00 0.02 H new ATOM 0 HE ARG A 13 5.190 -6.306 20.195 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.449 -7.772 23.112 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.748 -6.588 23.294 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.854 -4.795 20.430 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.975 -4.919 21.790 1.00 0.02 H new ATOM 208 N ASN A 14 0.881 -11.631 19.836 1.00 0.02 N ATOM 209 CA ASN A 14 0.381 -13.037 19.848 1.00 0.02 C ATOM 210 C ASN A 14 -1.149 -13.078 19.939 1.00 0.02 C ATOM 211 O ASN A 14 -1.730 -13.938 20.569 1.00 0.02 O ATOM 212 CB ASN A 14 1.017 -13.780 21.029 1.00 0.26 C ATOM 213 CG ASN A 14 2.452 -13.288 21.225 1.00 0.12 C ATOM 214 OD1 ASN A 14 2.706 -12.433 22.050 1.00 0.74 O ATOM 215 ND2 ASN A 14 3.409 -13.797 20.498 1.00 0.46 N ATOM 0 H ASN A 14 1.324 -11.344 18.963 1.00 0.02 H new ATOM 0 HA ASN A 14 0.663 -13.526 18.915 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.436 -13.610 21.935 1.00 0.26 H new ATOM 0 HB3 ASN A 14 1.011 -14.854 20.843 1.00 0.26 H new ATOM 0 HD21 ASN A 14 4.369 -13.477 20.623 1.00 0.46 H new ATOM 0 HD22 ASN A 14 3.196 -14.515 19.805 1.00 0.46 H new ATOM 222 N PHE A 15 -1.786 -12.124 19.297 1.00 0.02 N ATOM 223 CA PHE A 15 -3.281 -12.026 19.275 1.00 0.02 C ATOM 224 C PHE A 15 -3.860 -12.127 20.686 1.00 0.00 C ATOM 225 O PHE A 15 -4.842 -12.801 20.926 1.00 0.02 O ATOM 226 CB PHE A 15 -3.899 -13.105 18.361 1.00 0.02 C ATOM 227 CG PHE A 15 -3.247 -14.448 18.586 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.113 -14.806 17.849 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.775 -15.334 19.533 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.505 -16.050 18.057 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.168 -16.580 19.741 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.032 -16.937 19.003 1.00 0.02 C ATOM 0 H PHE A 15 -1.315 -11.388 18.772 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.538 -11.048 18.868 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -4.969 -13.180 18.554 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.783 -12.812 17.318 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.706 -14.122 17.119 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.650 -15.057 20.103 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.630 -16.325 17.488 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.576 -17.265 20.470 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.563 -17.896 19.164 1.00 0.02 H new ATOM 242 N GLN A 16 -3.258 -11.429 21.610 1.00 0.02 N ATOM 243 CA GLN A 16 -3.747 -11.423 23.023 1.00 0.02 C ATOM 244 C GLN A 16 -4.286 -10.023 23.331 1.00 0.02 C ATOM 245 O GLN A 16 -4.047 -9.087 22.593 1.00 0.02 O ATOM 246 CB GLN A 16 -2.581 -11.734 23.965 1.00 0.02 C ATOM 247 CG GLN A 16 -2.281 -13.233 23.923 1.00 0.00 C ATOM 248 CD GLN A 16 -0.925 -13.501 24.575 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.047 -12.830 24.284 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.815 -14.462 25.451 1.00 0.02 N ATOM 0 H GLN A 16 -2.433 -10.852 21.444 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.527 -12.172 23.159 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.699 -11.167 23.669 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.829 -11.430 24.982 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.063 -13.786 24.444 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.276 -13.585 22.891 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.630 -15.025 25.695 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.086 -14.650 25.891 1.00 0.02 H new ATOM 259 N GLY A 17 -5.012 -9.858 24.406 1.00 0.03 N ATOM 260 CA GLY A 17 -5.553 -8.504 24.736 1.00 0.03 C ATOM 261 C GLY A 17 -6.927 -8.302 24.089 1.00 0.02 C ATOM 262 O GLY A 17 -7.533 -9.229 23.589 1.00 0.02 O ATOM 0 H GLY A 17 -5.253 -10.597 25.067 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.634 -8.392 25.817 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.864 -7.735 24.387 1.00 0.03 H new ATOM 266 N ARG A 18 -7.411 -7.091 24.086 1.00 0.00 N ATOM 267 CA ARG A 18 -8.736 -6.805 23.465 1.00 0.02 C ATOM 268 C ARG A 18 -8.611 -6.947 21.946 1.00 0.02 C ATOM 269 O ARG A 18 -7.590 -6.629 21.367 1.00 0.02 O ATOM 270 CB ARG A 18 -9.163 -5.379 23.826 1.00 0.79 C ATOM 271 CG ARG A 18 -10.421 -5.001 23.040 1.00 1.49 C ATOM 272 CD ARG A 18 -11.002 -3.702 23.598 1.00 1.42 C ATOM 273 NE ARG A 18 -10.044 -2.585 23.361 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.443 -1.348 23.475 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.680 -1.087 23.794 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.603 -0.371 23.268 1.00 2.76 N ATOM 0 H ARG A 18 -6.942 -6.280 24.490 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.485 -7.505 23.834 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.356 -5.307 24.896 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.358 -4.680 23.600 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.180 -4.879 21.984 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.159 -5.800 23.108 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -11.957 -3.484 23.120 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.197 -3.808 24.665 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.076 -2.788 23.110 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.337 -1.850 23.955 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.991 -0.119 23.883 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.636 -0.575 23.017 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.914 0.596 23.357 1.00 2.76 H new ATOM 290 N ARG A 19 -9.642 -7.440 21.298 1.00 0.02 N ATOM 291 CA ARG A 19 -9.594 -7.629 19.814 1.00 0.02 C ATOM 292 C ARG A 19 -10.703 -6.821 19.137 1.00 0.02 C ATOM 293 O ARG A 19 -11.764 -6.606 19.688 1.00 0.02 O ATOM 294 CB ARG A 19 -9.798 -9.120 19.495 1.00 0.85 C ATOM 295 CG ARG A 19 -9.909 -9.337 17.962 1.00 1.31 C ATOM 296 CD ARG A 19 -11.386 -9.414 17.516 1.00 1.34 C ATOM 297 NE ARG A 19 -11.832 -10.835 17.538 1.00 1.50 N ATOM 298 CZ ARG A 19 -13.103 -11.119 17.476 1.00 1.63 C ATOM 299 NH1 ARG A 19 -13.981 -10.157 17.398 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.497 -12.363 17.492 1.00 1.89 N ATOM 0 H ARG A 19 -10.519 -7.721 21.738 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.628 -7.287 19.443 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -8.965 -9.700 19.891 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.701 -9.483 19.986 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -9.410 -8.521 17.439 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -9.394 -10.256 17.684 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -12.010 -8.814 18.179 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.497 -9.001 16.513 1.00 1.34 H new ATOM 0 HE ARG A 19 -11.144 -11.585 17.602 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -13.673 -9.185 17.386 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -14.976 -10.377 17.349 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -12.810 -13.115 17.553 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -14.492 -12.584 17.443 1.00 1.89 H new ATOM 314 N TYR A 20 -10.457 -6.395 17.925 1.00 0.02 N ATOM 315 CA TYR A 20 -11.476 -5.618 17.153 1.00 0.02 C ATOM 316 C TYR A 20 -11.567 -6.216 15.749 1.00 0.02 C ATOM 317 O TYR A 20 -10.572 -6.389 15.081 1.00 0.02 O ATOM 318 CB TYR A 20 -11.051 -4.147 17.064 1.00 0.02 C ATOM 319 CG TYR A 20 -11.947 -3.416 16.085 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.321 -3.315 16.337 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.406 -2.844 14.925 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.152 -2.642 15.432 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.238 -2.172 14.021 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.611 -2.070 14.275 1.00 0.02 C ATOM 325 OH TYR A 20 -14.430 -1.408 13.384 1.00 0.01 O ATOM 0 H TYR A 20 -9.580 -6.555 17.429 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.445 -5.670 17.649 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.113 -3.680 18.047 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.012 -4.077 16.743 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.740 -3.756 17.229 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.347 -2.922 14.728 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.211 -2.564 15.627 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.820 -1.732 13.127 1.00 0.02 H new ATOM 0 HH TYR A 20 -15.186 -1.012 13.866 1.00 0.01 H new ATOM 335 N ASP A 21 -12.755 -6.551 15.307 1.00 0.01 N ATOM 336 CA ASP A 21 -12.932 -7.163 13.949 1.00 0.02 C ATOM 337 C ASP A 21 -13.699 -6.206 13.037 1.00 0.00 C ATOM 338 O ASP A 21 -14.669 -5.593 13.438 1.00 0.01 O ATOM 339 CB ASP A 21 -13.729 -8.461 14.095 1.00 0.12 C ATOM 340 CG ASP A 21 -13.719 -9.213 12.764 1.00 0.41 C ATOM 341 OD1 ASP A 21 -12.713 -9.834 12.464 1.00 1.12 O ATOM 342 OD2 ASP A 21 -14.716 -9.152 12.065 1.00 0.56 O ATOM 0 H ASP A 21 -13.620 -6.426 15.834 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.954 -7.364 13.512 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -13.295 -9.081 14.879 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.754 -8.240 14.393 1.00 0.12 H new ATOM 347 N CYS A 22 -13.264 -6.082 11.802 1.00 0.01 N ATOM 348 CA CYS A 22 -13.957 -5.170 10.836 1.00 0.00 C ATOM 349 C CYS A 22 -14.195 -5.914 9.516 1.00 0.02 C ATOM 350 O CYS A 22 -13.353 -6.660 9.039 1.00 0.01 O ATOM 351 CB CYS A 22 -13.103 -3.896 10.625 1.00 0.00 C ATOM 352 SG CYS A 22 -12.066 -4.033 9.141 1.00 0.02 S ATOM 0 H CYS A 22 -12.456 -6.576 11.422 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.925 -4.865 11.233 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.757 -3.028 10.535 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.472 -3.730 11.498 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.815 -4.290 8.110 1.00 0.02 H new ATOM 358 N ASP A 23 -15.349 -5.712 8.930 1.00 0.01 N ATOM 359 CA ASP A 23 -15.697 -6.388 7.640 1.00 0.02 C ATOM 360 C ASP A 23 -15.895 -5.331 6.554 1.00 0.00 C ATOM 361 O ASP A 23 -16.369 -5.617 5.473 1.00 0.02 O ATOM 362 CB ASP A 23 -16.992 -7.182 7.819 1.00 0.16 C ATOM 363 CG ASP A 23 -16.843 -8.137 9.005 1.00 0.17 C ATOM 364 OD1 ASP A 23 -15.980 -7.894 9.833 1.00 0.20 O ATOM 365 OD2 ASP A 23 -17.594 -9.098 9.065 1.00 0.17 O ATOM 0 H ASP A 23 -16.076 -5.098 9.296 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.892 -7.063 7.350 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.828 -6.503 7.988 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.216 -7.743 6.912 1.00 0.16 H new ATOM 370 N CYS A 24 -15.524 -4.113 6.832 1.00 0.01 N ATOM 371 CA CYS A 24 -15.675 -3.030 5.823 1.00 0.01 C ATOM 372 C CYS A 24 -14.711 -1.903 6.188 1.00 0.01 C ATOM 373 O CYS A 24 -14.059 -1.953 7.211 1.00 0.01 O ATOM 374 CB CYS A 24 -17.114 -2.508 5.834 1.00 0.62 C ATOM 375 SG CYS A 24 -17.598 -2.121 7.534 1.00 1.23 S ATOM 0 H CYS A 24 -15.120 -3.820 7.721 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.451 -3.409 4.826 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.195 -1.618 5.209 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.787 -3.255 5.413 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.819 -1.675 7.547 1.00 1.23 H new ATOM 381 N ASP A 25 -14.594 -0.890 5.375 1.00 0.02 N ATOM 382 CA ASP A 25 -13.651 0.212 5.709 1.00 0.01 C ATOM 383 C ASP A 25 -14.072 0.892 7.012 1.00 0.02 C ATOM 384 O ASP A 25 -15.244 1.053 7.289 1.00 0.00 O ATOM 385 CB ASP A 25 -13.667 1.246 4.582 1.00 0.01 C ATOM 386 CG ASP A 25 -13.116 0.613 3.302 1.00 0.01 C ATOM 387 OD1 ASP A 25 -13.151 -0.602 3.203 1.00 0.01 O ATOM 388 OD2 ASP A 25 -12.666 1.356 2.445 1.00 0.01 O ATOM 0 H ASP A 25 -15.107 -0.778 4.500 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.650 -0.202 5.828 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -14.683 1.603 4.416 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.066 2.112 4.860 1.00 0.01 H new ATOM 393 N CYS A 26 -13.116 1.314 7.802 1.00 0.01 N ATOM 394 CA CYS A 26 -13.431 2.017 9.085 1.00 0.01 C ATOM 395 C CYS A 26 -12.585 3.289 9.158 1.00 0.01 C ATOM 396 O CYS A 26 -11.370 3.237 9.164 1.00 0.01 O ATOM 397 CB CYS A 26 -13.112 1.107 10.275 1.00 0.01 C ATOM 398 SG CYS A 26 -14.287 -0.268 10.316 1.00 0.02 S ATOM 0 H CYS A 26 -12.121 1.200 7.611 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.491 2.270 9.121 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -12.094 0.727 10.193 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.167 1.674 11.205 1.00 0.01 H new ATOM 0 HG CYS A 26 -14.360 -0.740 11.525 1.00 0.02 H new ATOM 404 N ALA A 27 -13.213 4.436 9.178 1.00 0.01 N ATOM 405 CA ALA A 27 -12.436 5.705 9.208 1.00 0.01 C ATOM 406 C ALA A 27 -11.892 5.971 10.610 1.00 0.01 C ATOM 407 O ALA A 27 -10.893 6.639 10.779 1.00 0.02 O ATOM 408 CB ALA A 27 -13.336 6.865 8.778 1.00 0.24 C ATOM 0 H ALA A 27 -14.227 4.546 9.175 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.595 5.616 8.520 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.767 7.794 8.800 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.701 6.687 7.766 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.182 6.941 9.461 1.00 0.24 H new ATOM 414 N ASP A 28 -12.536 5.456 11.620 1.00 0.01 N ATOM 415 CA ASP A 28 -12.049 5.677 13.010 1.00 0.02 C ATOM 416 C ASP A 28 -12.529 4.521 13.887 1.00 0.01 C ATOM 417 O ASP A 28 -13.663 4.487 14.324 1.00 0.02 O ATOM 418 CB ASP A 28 -12.605 6.997 13.548 1.00 0.67 C ATOM 419 CG ASP A 28 -11.884 7.362 14.848 1.00 0.90 C ATOM 420 OD1 ASP A 28 -10.754 7.817 14.768 1.00 0.87 O ATOM 421 OD2 ASP A 28 -12.474 7.181 15.900 1.00 1.14 O ATOM 0 H ASP A 28 -13.381 4.890 11.542 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.960 5.723 13.019 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.470 7.788 12.810 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.676 6.907 13.727 1.00 0.67 H new ATOM 426 N PHE A 29 -11.663 3.578 14.152 1.00 0.02 N ATOM 427 CA PHE A 29 -12.032 2.409 15.012 1.00 0.02 C ATOM 428 C PHE A 29 -11.399 2.571 16.394 1.00 0.00 C ATOM 429 O PHE A 29 -11.386 1.668 17.209 1.00 0.02 O ATOM 430 CB PHE A 29 -11.565 1.108 14.355 1.00 2.87 C ATOM 431 CG PHE A 29 -10.059 1.045 14.336 1.00 3.99 C ATOM 432 CD1 PHE A 29 -9.347 1.716 13.338 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.377 0.301 15.307 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.950 1.645 13.308 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.981 0.233 15.279 1.00 5.75 C ATOM 436 CZ PHE A 29 -7.269 0.904 14.280 1.00 6.37 C ATOM 0 H PHE A 29 -10.704 3.566 13.806 1.00 0.02 H new ATOM 0 HA PHE A 29 -13.115 2.368 15.124 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.965 0.253 14.900 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.952 1.047 13.338 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.875 2.289 12.590 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.929 -0.219 16.076 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -7.398 2.161 12.536 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.453 -0.337 16.029 1.00 5.75 H new ATOM 0 HZ PHE A 29 -6.191 0.850 14.259 1.00 6.37 H new ATOM 446 N ARG A 30 -10.848 3.729 16.644 1.00 0.01 N ATOM 447 CA ARG A 30 -10.182 3.994 17.949 1.00 0.00 C ATOM 448 C ARG A 30 -11.165 3.796 19.106 1.00 0.01 C ATOM 449 O ARG A 30 -10.764 3.554 20.227 1.00 0.02 O ATOM 450 CB ARG A 30 -9.663 5.434 17.976 1.00 0.32 C ATOM 451 CG ARG A 30 -8.707 5.661 16.800 1.00 0.86 C ATOM 452 CD ARG A 30 -7.873 6.920 17.050 1.00 1.62 C ATOM 453 NE ARG A 30 -6.828 6.628 18.070 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.818 7.439 18.218 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.721 8.503 17.470 1.00 3.11 N ATOM 456 NH2 ARG A 30 -4.903 7.184 19.112 1.00 3.02 N ATOM 0 H ARG A 30 -10.832 4.511 15.990 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.354 3.295 18.063 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.498 6.133 17.919 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.149 5.628 18.918 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.053 4.798 16.679 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -9.272 5.765 15.874 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.408 7.251 16.122 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -8.514 7.732 17.393 1.00 1.62 H new ATOM 0 HE ARG A 30 -6.902 5.794 18.652 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.435 8.701 16.769 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -4.931 9.138 17.586 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -4.978 6.350 19.695 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -4.113 7.818 19.228 1.00 3.02 H new ATOM 470 N SER A 31 -12.445 3.910 18.862 1.00 0.02 N ATOM 471 CA SER A 31 -13.430 3.741 19.969 1.00 0.02 C ATOM 472 C SER A 31 -13.555 2.264 20.336 1.00 0.01 C ATOM 473 O SER A 31 -14.060 1.914 21.384 1.00 0.02 O ATOM 474 CB SER A 31 -14.792 4.267 19.516 1.00 0.37 C ATOM 475 OG SER A 31 -15.812 3.695 20.325 1.00 0.88 O ATOM 0 H SER A 31 -12.849 4.112 17.947 1.00 0.02 H new ATOM 0 HA SER A 31 -13.089 4.298 20.841 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.818 5.354 19.593 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.961 4.017 18.468 1.00 0.37 H new ATOM 0 HG SER A 31 -16.686 4.032 20.037 1.00 0.88 H new ATOM 481 N TYR A 32 -13.103 1.394 19.471 1.00 0.01 N ATOM 482 CA TYR A 32 -13.197 -0.073 19.742 1.00 0.01 C ATOM 483 C TYR A 32 -11.818 -0.608 20.121 1.00 0.02 C ATOM 484 O TYR A 32 -11.695 -1.653 20.728 1.00 0.02 O ATOM 485 CB TYR A 32 -13.673 -0.779 18.469 1.00 0.02 C ATOM 486 CG TYR A 32 -15.147 -0.517 18.267 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.574 0.703 17.731 1.00 0.01 C ATOM 488 CD2 TYR A 32 -16.087 -1.494 18.617 1.00 0.01 C ATOM 489 CE1 TYR A 32 -16.939 0.947 17.544 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.453 -1.250 18.432 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.879 -0.030 17.895 1.00 0.02 C ATOM 492 OH TYR A 32 -19.225 0.212 17.711 1.00 0.02 O ATOM 0 H TYR A 32 -12.669 1.638 18.581 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.897 -0.255 20.558 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -13.108 -0.420 17.609 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.491 -1.851 18.545 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -14.849 1.457 17.461 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.758 -2.436 19.030 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -17.268 1.888 17.129 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.178 -2.003 18.704 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.741 -0.568 18.004 1.00 0.02 H new ATOM 502 N LEU A 33 -10.775 0.081 19.744 1.00 0.02 N ATOM 503 CA LEU A 33 -9.396 -0.403 20.052 1.00 0.02 C ATOM 504 C LEU A 33 -8.470 0.806 20.251 1.00 0.02 C ATOM 505 O LEU A 33 -8.381 1.685 19.420 1.00 0.02 O ATOM 506 CB LEU A 33 -8.907 -1.205 18.839 1.00 1.66 C ATOM 507 CG LEU A 33 -7.692 -2.081 19.225 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.158 -3.469 19.684 1.00 3.32 C ATOM 509 CD2 LEU A 33 -6.766 -2.236 18.013 1.00 2.80 C ATOM 0 H LEU A 33 -10.818 0.963 19.233 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.394 -1.015 20.954 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.713 -1.835 18.463 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.632 -0.525 18.033 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.157 -1.597 20.042 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -7.291 -4.073 19.952 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -8.811 -3.365 20.551 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -8.704 -3.955 18.875 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -5.910 -2.853 18.286 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.311 -2.711 17.197 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.418 -1.254 17.693 1.00 2.80 H new ATOM 521 N SER A 34 -7.795 0.857 21.372 1.00 0.02 N ATOM 522 CA SER A 34 -6.892 2.012 21.664 1.00 0.02 C ATOM 523 C SER A 34 -5.496 1.790 21.071 1.00 0.00 C ATOM 524 O SER A 34 -4.685 2.692 21.031 1.00 0.01 O ATOM 525 CB SER A 34 -6.774 2.181 23.178 1.00 0.02 C ATOM 526 OG SER A 34 -6.045 1.086 23.716 1.00 0.02 O ATOM 0 H SER A 34 -7.831 0.145 22.101 1.00 0.02 H new ATOM 0 HA SER A 34 -7.318 2.907 21.211 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.271 3.119 23.413 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.765 2.230 23.629 1.00 0.02 H new ATOM 0 HG SER A 34 -5.966 1.191 24.687 1.00 0.02 H new ATOM 532 N ARG A 35 -5.202 0.604 20.613 1.00 0.02 N ATOM 533 CA ARG A 35 -3.858 0.328 20.025 1.00 0.01 C ATOM 534 C ARG A 35 -3.908 -1.057 19.377 1.00 0.02 C ATOM 535 O ARG A 35 -4.773 -1.850 19.683 1.00 0.02 O ATOM 536 CB ARG A 35 -2.797 0.346 21.142 1.00 0.02 C ATOM 537 CG ARG A 35 -1.390 0.530 20.542 1.00 0.02 C ATOM 538 CD ARG A 35 -1.083 2.024 20.362 1.00 0.02 C ATOM 539 NE ARG A 35 -0.868 2.648 21.697 1.00 0.02 N ATOM 540 CZ ARG A 35 -0.323 3.830 21.784 1.00 0.02 C ATOM 541 NH1 ARG A 35 0.021 4.469 20.700 1.00 0.00 N ATOM 542 NH2 ARG A 35 -0.127 4.374 22.952 1.00 0.02 N ATOM 0 H ARG A 35 -5.839 -0.192 20.621 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.597 1.083 19.284 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -3.010 1.154 21.842 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.839 -0.585 21.708 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -0.646 0.074 21.195 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.327 0.020 19.581 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.196 2.152 19.741 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -1.907 2.517 19.846 1.00 0.02 H new ATOM 0 HE ARG A 35 -1.147 2.151 22.543 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -0.136 4.044 19.786 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.447 5.393 20.766 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.400 3.875 23.799 1.00 0.02 H new ATOM 0 HH22 ARG A 35 0.299 5.298 23.019 1.00 0.02 H new ATOM 556 N CYS A 36 -2.991 -1.370 18.494 1.00 0.02 N ATOM 557 CA CYS A 36 -2.995 -2.720 17.843 1.00 0.02 C ATOM 558 C CYS A 36 -1.555 -3.207 17.715 1.00 0.02 C ATOM 559 O CYS A 36 -0.777 -2.623 16.987 1.00 0.02 O ATOM 560 CB CYS A 36 -3.597 -2.607 16.443 1.00 0.02 C ATOM 561 SG CYS A 36 -2.660 -1.376 15.504 1.00 0.02 S ATOM 0 H CYS A 36 -2.239 -0.749 18.195 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.581 -3.416 18.443 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -3.563 -3.573 15.938 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -4.646 -2.316 16.505 1.00 0.02 H new ATOM 0 HG CYS A 36 -1.404 -1.443 15.833 1.00 0.02 H new ATOM 567 N ASN A 37 -1.170 -4.252 18.414 1.00 0.02 N ATOM 568 CA ASN A 37 0.247 -4.730 18.318 1.00 0.01 C ATOM 569 C ASN A 37 0.316 -6.023 17.502 1.00 0.02 C ATOM 570 O ASN A 37 1.379 -6.546 17.223 1.00 0.02 O ATOM 571 CB ASN A 37 0.802 -4.984 19.724 1.00 0.02 C ATOM 572 CG ASN A 37 2.327 -5.076 19.669 1.00 0.01 C ATOM 573 OD1 ASN A 37 2.871 -5.878 18.938 1.00 0.03 O ATOM 574 ND2 ASN A 37 3.046 -4.280 20.414 1.00 0.02 N ATOM 0 H ASN A 37 -1.770 -4.789 19.040 1.00 0.02 H new ATOM 0 HA ASN A 37 0.843 -3.964 17.822 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.501 -4.179 20.395 1.00 0.02 H new ATOM 0 HB3 ASN A 37 0.387 -5.908 20.128 1.00 0.02 H new ATOM 0 HD21 ASN A 37 4.064 -4.332 20.381 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.589 -3.606 21.028 1.00 0.02 H new ATOM 581 N SER A 38 -0.822 -6.513 17.077 1.00 0.02 N ATOM 582 CA SER A 38 -0.857 -7.745 16.234 1.00 0.02 C ATOM 583 C SER A 38 -2.131 -7.715 15.394 1.00 0.01 C ATOM 584 O SER A 38 -3.107 -7.084 15.749 1.00 0.02 O ATOM 585 CB SER A 38 -0.831 -8.998 17.111 1.00 0.01 C ATOM 586 OG SER A 38 0.499 -9.235 17.542 1.00 0.02 O ATOM 0 H SER A 38 -1.736 -6.108 17.281 1.00 0.02 H new ATOM 0 HA SER A 38 0.019 -7.773 15.586 1.00 0.02 H new ATOM 0 HB2 SER A 38 -1.488 -8.869 17.971 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.204 -9.856 16.552 1.00 0.01 H new ATOM 0 HG SER A 38 0.654 -10.200 17.609 1.00 0.02 H new ATOM 592 N ILE A 39 -2.128 -8.372 14.263 1.00 0.02 N ATOM 593 CA ILE A 39 -3.335 -8.357 13.383 1.00 0.02 C ATOM 594 C ILE A 39 -3.488 -9.716 12.699 1.00 0.02 C ATOM 595 O ILE A 39 -2.530 -10.368 12.338 1.00 0.02 O ATOM 596 CB ILE A 39 -3.162 -7.277 12.294 1.00 0.00 C ATOM 597 CG1 ILE A 39 -3.296 -5.879 12.913 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.239 -7.446 11.212 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.871 -4.818 11.895 1.00 0.00 C ATOM 0 H ILE A 39 -1.342 -8.918 13.911 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.216 -8.143 13.989 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.173 -7.388 11.850 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.326 -5.706 13.223 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -2.677 -5.806 13.807 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.110 -6.680 10.447 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.146 -8.432 10.757 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.226 -7.346 11.663 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.968 -3.828 12.340 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.833 -4.986 11.606 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.508 -4.884 11.013 1.00 0.00 H new ATOM 611 N ARG A 40 -4.715 -10.109 12.473 1.00 0.02 N ATOM 612 CA ARG A 40 -5.003 -11.381 11.749 1.00 0.02 C ATOM 613 C ARG A 40 -5.898 -11.028 10.562 1.00 0.01 C ATOM 614 O ARG A 40 -6.961 -10.467 10.738 1.00 0.02 O ATOM 615 CB ARG A 40 -5.725 -12.389 12.647 1.00 0.01 C ATOM 616 CG ARG A 40 -5.877 -13.721 11.909 1.00 0.02 C ATOM 617 CD ARG A 40 -6.710 -14.683 12.757 1.00 0.02 C ATOM 618 NE ARG A 40 -8.022 -14.052 13.076 1.00 0.02 N ATOM 619 CZ ARG A 40 -9.003 -14.780 13.529 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.841 -16.065 13.694 1.00 0.02 N ATOM 621 NH2 ARG A 40 -10.150 -14.225 13.813 1.00 0.02 N ATOM 0 H ARG A 40 -5.544 -9.591 12.766 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.068 -11.841 11.430 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.164 -12.536 13.570 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.705 -12.004 12.928 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.358 -13.561 10.944 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.896 -14.152 11.709 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.865 -15.618 12.219 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.179 -14.928 13.677 1.00 0.02 H new ATOM 0 HE ARG A 40 -8.152 -13.050 12.940 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.946 -16.499 13.468 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -9.609 -16.634 14.049 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -10.278 -13.222 13.680 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -10.918 -14.795 14.168 1.00 0.02 H new ATOM 635 N VAL A 41 -5.511 -11.384 9.365 1.00 0.02 N ATOM 636 CA VAL A 41 -6.383 -11.110 8.184 1.00 0.01 C ATOM 637 C VAL A 41 -6.996 -12.442 7.770 1.00 0.02 C ATOM 638 O VAL A 41 -6.304 -13.347 7.351 1.00 0.02 O ATOM 639 CB VAL A 41 -5.559 -10.511 7.047 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.501 -10.084 5.920 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.813 -9.278 7.566 1.00 0.00 C ATOM 0 H VAL A 41 -4.630 -11.852 9.154 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.164 -10.390 8.428 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.846 -11.248 6.677 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.920 -9.655 5.103 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.051 -10.952 5.557 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.204 -9.340 6.295 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.222 -8.844 6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.532 -8.542 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.153 -9.569 8.383 1.00 0.00 H new ATOM 651 N GLU A 42 -8.289 -12.579 7.909 1.00 0.01 N ATOM 652 CA GLU A 42 -8.942 -13.873 7.562 1.00 0.01 C ATOM 653 C GLU A 42 -9.208 -13.937 6.067 1.00 0.02 C ATOM 654 O GLU A 42 -9.141 -14.991 5.468 1.00 0.01 O ATOM 655 CB GLU A 42 -10.263 -14.004 8.326 1.00 0.99 C ATOM 656 CG GLU A 42 -10.732 -15.459 8.288 1.00 1.86 C ATOM 657 CD GLU A 42 -12.138 -15.557 8.879 1.00 3.10 C ATOM 658 OE1 GLU A 42 -12.420 -14.822 9.811 1.00 3.81 O ATOM 659 OE2 GLU A 42 -12.910 -16.366 8.392 1.00 3.67 O ATOM 0 H GLU A 42 -8.919 -11.851 8.247 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.279 -14.692 7.841 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.132 -13.680 9.358 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -11.018 -13.356 7.882 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -10.731 -15.826 7.262 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.044 -16.089 8.852 1.00 1.86 H new ATOM 666 N GLY A 43 -9.521 -12.838 5.447 1.00 0.01 N ATOM 667 CA GLY A 43 -9.795 -12.901 3.986 1.00 0.02 C ATOM 668 C GLY A 43 -9.705 -11.515 3.368 1.00 0.02 C ATOM 669 O GLY A 43 -9.993 -10.524 4.007 1.00 0.02 O ATOM 0 H GLY A 43 -9.598 -11.916 5.876 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.080 -13.568 3.504 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.787 -13.319 3.814 1.00 0.02 H new ATOM 673 N GLY A 44 -9.329 -11.435 2.126 1.00 0.00 N ATOM 674 CA GLY A 44 -9.244 -10.104 1.473 1.00 0.01 C ATOM 675 C GLY A 44 -7.911 -9.441 1.814 1.00 0.01 C ATOM 676 O GLY A 44 -7.141 -9.931 2.617 1.00 0.01 O ATOM 0 H GLY A 44 -9.078 -12.229 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.340 -10.213 0.393 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.069 -9.473 1.805 1.00 0.01 H new ATOM 680 N THR A 45 -7.667 -8.305 1.228 1.00 0.01 N ATOM 681 CA THR A 45 -6.419 -7.532 1.509 1.00 0.00 C ATOM 682 C THR A 45 -6.838 -6.281 2.284 1.00 0.01 C ATOM 683 O THR A 45 -7.995 -5.911 2.271 1.00 0.01 O ATOM 684 CB THR A 45 -5.717 -7.169 0.198 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.232 -8.355 -0.416 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.541 -6.231 0.489 1.00 1.48 C ATOM 0 H THR A 45 -8.291 -7.867 0.551 1.00 0.01 H new ATOM 0 HA THR A 45 -5.711 -8.118 2.095 1.00 0.00 H new ATOM 0 HB THR A 45 -6.422 -6.671 -0.468 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.783 -8.128 -1.257 1.00 0.88 H new ATOM 0 HG21 THR A 45 -4.042 -5.973 -0.445 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.909 -5.323 0.966 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.834 -6.729 1.153 1.00 1.48 H new ATOM 694 N TRP A 46 -5.939 -5.613 2.961 1.00 0.02 N ATOM 695 CA TRP A 46 -6.358 -4.393 3.722 1.00 0.01 C ATOM 696 C TRP A 46 -5.238 -3.349 3.765 1.00 0.01 C ATOM 697 O TRP A 46 -4.072 -3.671 3.858 1.00 0.01 O ATOM 698 CB TRP A 46 -6.707 -4.798 5.157 1.00 0.00 C ATOM 699 CG TRP A 46 -8.008 -5.534 5.180 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.172 -6.835 4.848 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.326 -5.038 5.555 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.507 -7.170 4.996 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.258 -6.094 5.430 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.797 -3.784 5.988 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.611 -5.912 5.724 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.156 -3.599 6.285 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.061 -4.661 6.153 1.00 0.01 C ATOM 0 H TRP A 46 -4.949 -5.852 3.021 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.220 -3.955 3.219 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -5.917 -5.427 5.568 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.770 -3.912 5.788 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.389 -7.503 4.521 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.889 -8.097 4.808 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.108 -2.959 6.092 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.305 -6.733 5.620 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.506 -2.633 6.617 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.106 -4.512 6.383 1.00 0.01 H new ATOM 718 N ALA A 47 -5.611 -2.095 3.768 1.00 0.01 N ATOM 719 CA ALA A 47 -4.616 -0.986 3.888 1.00 0.01 C ATOM 720 C ALA A 47 -4.839 -0.399 5.277 1.00 0.01 C ATOM 721 O ALA A 47 -5.954 -0.110 5.663 1.00 0.01 O ATOM 722 CB ALA A 47 -4.869 0.073 2.811 1.00 0.24 C ATOM 0 H ALA A 47 -6.580 -1.787 3.691 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.593 -1.336 3.754 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.137 0.875 2.910 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.777 -0.382 1.825 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.873 0.481 2.931 1.00 0.24 H new ATOM 728 N VAL A 48 -3.780 -0.198 6.023 1.00 0.01 N ATOM 729 CA VAL A 48 -3.909 0.397 7.390 1.00 0.02 C ATOM 730 C VAL A 48 -3.134 1.712 7.448 1.00 0.01 C ATOM 731 O VAL A 48 -2.081 1.844 6.854 1.00 0.01 O ATOM 732 CB VAL A 48 -3.365 -0.571 8.438 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.153 -1.881 8.379 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.888 -0.850 8.155 1.00 0.65 C ATOM 0 H VAL A 48 -2.826 -0.422 5.742 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.962 0.586 7.600 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.468 -0.130 9.430 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.765 -2.573 9.127 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.206 -1.682 8.580 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.050 -2.323 7.388 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.498 -1.541 8.903 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.785 -1.292 7.164 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.327 0.084 8.197 1.00 0.65 H new ATOM 744 N TYR A 49 -3.658 2.686 8.150 1.00 0.01 N ATOM 745 CA TYR A 49 -2.974 4.015 8.245 1.00 0.01 C ATOM 746 C TYR A 49 -2.645 4.314 9.704 1.00 0.01 C ATOM 747 O TYR A 49 -3.354 3.941 10.620 1.00 0.02 O ATOM 748 CB TYR A 49 -3.907 5.098 7.699 1.00 0.01 C ATOM 749 CG TYR A 49 -4.259 4.790 6.260 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.116 3.722 5.956 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.735 5.578 5.227 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.442 3.444 4.624 1.00 0.01 C ATOM 753 CE2 TYR A 49 -4.064 5.297 3.895 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.916 4.231 3.595 1.00 0.02 C ATOM 755 OH TYR A 49 -5.239 3.957 2.282 1.00 0.01 O ATOM 0 H TYR A 49 -4.536 2.618 8.665 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.052 3.997 7.664 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.813 5.149 8.302 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.425 6.074 7.765 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.524 3.114 6.750 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.077 6.403 5.458 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.101 2.621 4.390 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.659 5.905 3.099 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.790 4.599 1.694 1.00 0.01 H new ATOM 765 N GLU A 50 -1.530 4.958 9.913 1.00 0.01 N ATOM 766 CA GLU A 50 -1.070 5.267 11.294 1.00 0.01 C ATOM 767 C GLU A 50 -2.015 6.256 11.984 1.00 0.01 C ATOM 768 O GLU A 50 -2.205 6.186 13.182 1.00 0.02 O ATOM 769 CB GLU A 50 0.335 5.874 11.213 1.00 0.02 C ATOM 770 CG GLU A 50 1.036 5.750 12.572 1.00 0.01 C ATOM 771 CD GLU A 50 1.553 4.321 12.758 1.00 0.02 C ATOM 772 OE1 GLU A 50 1.139 3.458 11.999 1.00 0.02 O ATOM 773 OE2 GLU A 50 2.356 4.114 13.652 1.00 0.01 O ATOM 0 H GLU A 50 -0.910 5.288 9.173 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.060 4.347 11.879 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.917 5.364 10.446 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.272 6.922 10.921 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.864 6.457 12.631 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.343 6.003 13.374 1.00 0.01 H new ATOM 780 N ARG A 51 -2.587 7.194 11.258 1.00 0.02 N ATOM 781 CA ARG A 51 -3.492 8.204 11.907 1.00 0.02 C ATOM 782 C ARG A 51 -4.860 8.208 11.188 1.00 0.01 C ATOM 783 O ARG A 51 -4.961 7.785 10.048 1.00 0.02 O ATOM 784 CB ARG A 51 -2.820 9.590 11.776 1.00 0.02 C ATOM 785 CG ARG A 51 -2.023 9.921 13.044 1.00 0.01 C ATOM 786 CD ARG A 51 -1.228 11.210 12.827 1.00 0.02 C ATOM 787 NE ARG A 51 -2.137 12.271 12.312 1.00 0.02 N ATOM 788 CZ ARG A 51 -1.762 13.520 12.341 1.00 0.02 C ATOM 789 NH1 ARG A 51 -0.594 13.839 12.828 1.00 0.02 N ATOM 790 NH2 ARG A 51 -2.555 14.449 11.886 1.00 0.01 N ATOM 0 H ARG A 51 -2.467 7.303 10.251 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.654 7.961 12.957 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.158 9.600 10.910 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.578 10.354 11.606 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.699 10.037 13.891 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.347 9.101 13.286 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -0.771 11.530 13.763 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.417 11.036 12.120 1.00 0.02 H new ATOM 0 HE ARG A 51 -3.052 12.021 11.937 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.025 13.112 13.186 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -0.300 14.816 12.851 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -3.469 14.199 11.507 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -2.262 15.426 11.909 1.00 0.01 H new ATOM 804 N PRO A 52 -5.906 8.682 11.852 1.00 0.02 N ATOM 805 CA PRO A 52 -7.271 8.718 11.246 1.00 0.02 C ATOM 806 C PRO A 52 -7.313 9.448 9.898 1.00 0.01 C ATOM 807 O PRO A 52 -6.408 10.161 9.514 1.00 0.02 O ATOM 808 CB PRO A 52 -8.105 9.458 12.319 1.00 0.02 C ATOM 809 CG PRO A 52 -7.156 9.919 13.441 1.00 0.01 C ATOM 810 CD PRO A 52 -5.806 9.211 13.248 1.00 0.01 C ATOM 0 HA PRO A 52 -7.643 7.721 11.010 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.615 10.314 11.878 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.875 8.800 12.721 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.026 11.001 13.409 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.576 9.677 14.417 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -4.968 9.899 13.361 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.661 8.411 13.974 1.00 0.01 H new ATOM 818 N ASN A 53 -8.411 9.280 9.211 1.00 0.02 N ATOM 819 CA ASN A 53 -8.615 9.961 7.903 1.00 0.02 C ATOM 820 C ASN A 53 -7.600 9.484 6.868 1.00 0.01 C ATOM 821 O ASN A 53 -7.140 10.232 6.028 1.00 0.01 O ATOM 822 CB ASN A 53 -8.490 11.474 8.103 1.00 0.01 C ATOM 823 CG ASN A 53 -9.146 11.869 9.427 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.219 11.402 9.751 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.539 12.715 10.213 1.00 0.01 N ATOM 0 H ASN A 53 -9.188 8.689 9.508 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.610 9.716 7.530 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.440 11.766 8.104 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -8.967 12.001 7.277 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -8.966 12.984 11.100 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.638 13.107 9.941 1.00 0.01 H new ATOM 832 N PHE A 54 -7.274 8.222 6.914 1.00 0.02 N ATOM 833 CA PHE A 54 -6.318 7.642 5.932 1.00 0.01 C ATOM 834 C PHE A 54 -5.089 8.541 5.769 1.00 0.01 C ATOM 835 O PHE A 54 -4.711 8.906 4.674 1.00 0.02 O ATOM 836 CB PHE A 54 -7.033 7.465 4.578 1.00 1.78 C ATOM 837 CG PHE A 54 -8.510 7.205 4.803 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.919 6.155 5.637 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.470 8.013 4.176 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.284 5.914 5.840 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.834 7.769 4.382 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.240 6.721 5.213 1.00 3.39 C ATOM 0 H PHE A 54 -7.635 7.560 7.600 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.977 6.673 6.297 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.901 8.359 3.968 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.589 6.635 4.028 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -8.182 5.532 6.123 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.157 8.823 3.534 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.599 5.104 6.481 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.572 8.391 3.898 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.292 6.534 5.371 1.00 3.39 H new ATOM 852 N SER A 55 -4.467 8.896 6.871 1.00 0.02 N ATOM 853 CA SER A 55 -3.252 9.776 6.825 1.00 0.02 C ATOM 854 C SER A 55 -2.100 9.126 7.602 1.00 0.01 C ATOM 855 O SER A 55 -2.298 8.199 8.363 1.00 0.01 O ATOM 856 CB SER A 55 -3.592 11.125 7.460 1.00 1.90 C ATOM 857 OG SER A 55 -2.480 12.001 7.327 1.00 2.33 O ATOM 0 H SER A 55 -4.752 8.611 7.808 1.00 0.02 H new ATOM 0 HA SER A 55 -2.946 9.915 5.788 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.469 11.556 6.977 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.841 10.992 8.513 1.00 1.90 H new ATOM 0 HG SER A 55 -2.696 12.867 7.732 1.00 2.33 H new ATOM 863 N GLY A 56 -0.894 9.600 7.406 1.00 0.02 N ATOM 864 CA GLY A 56 0.278 9.007 8.123 1.00 0.02 C ATOM 865 C GLY A 56 0.852 7.836 7.313 1.00 0.02 C ATOM 866 O GLY A 56 0.606 7.712 6.130 1.00 0.00 O ATOM 0 H GLY A 56 -0.670 10.373 6.779 1.00 0.02 H new ATOM 0 HA2 GLY A 56 1.045 9.767 8.273 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.026 8.662 9.111 1.00 0.02 H new ATOM 870 N HIS A 57 1.638 6.992 7.931 1.00 0.02 N ATOM 871 CA HIS A 57 2.245 5.851 7.181 1.00 0.02 C ATOM 872 C HIS A 57 1.153 4.919 6.657 1.00 0.01 C ATOM 873 O HIS A 57 0.161 4.675 7.319 1.00 0.01 O ATOM 874 CB HIS A 57 3.182 5.065 8.104 1.00 0.00 C ATOM 875 CG HIS A 57 4.429 5.866 8.352 1.00 0.01 C ATOM 876 ND1 HIS A 57 5.541 5.774 7.531 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.757 6.776 9.326 1.00 0.01 C ATOM 878 CE1 HIS A 57 6.478 6.607 8.020 1.00 0.02 C ATOM 879 NE2 HIS A 57 6.051 7.244 9.115 1.00 0.01 N ATOM 0 H HIS A 57 1.885 7.043 8.919 1.00 0.02 H new ATOM 0 HA HIS A 57 2.809 6.249 6.337 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.682 4.848 9.048 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.437 4.107 7.651 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.109 7.083 10.134 1.00 0.01 H new ATOM 0 HE1 HIS A 57 7.455 6.744 7.581 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.563 7.926 9.675 1.00 0.01 H new ATOM 887 N MET A 58 1.342 4.397 5.465 1.00 0.02 N ATOM 888 CA MET A 58 0.336 3.469 4.857 1.00 0.02 C ATOM 889 C MET A 58 0.975 2.088 4.682 1.00 0.01 C ATOM 890 O MET A 58 2.092 1.967 4.221 1.00 0.01 O ATOM 891 CB MET A 58 -0.075 3.992 3.474 1.00 2.61 C ATOM 892 CG MET A 58 -0.478 5.470 3.552 1.00 3.46 C ATOM 893 SD MET A 58 -0.437 6.195 1.893 1.00 4.50 S ATOM 894 CE MET A 58 -1.436 4.939 1.055 1.00 5.01 C ATOM 0 H MET A 58 2.160 4.578 4.883 1.00 0.02 H new ATOM 0 HA MET A 58 -0.538 3.406 5.506 1.00 0.02 H new ATOM 0 HB2 MET A 58 0.752 3.872 2.774 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.907 3.403 3.089 1.00 2.61 H new ATOM 0 HG2 MET A 58 -1.477 5.564 3.977 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.201 6.009 4.213 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.819 5.344 0.119 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.820 4.064 0.847 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.271 4.652 1.695 1.00 5.01 H new ATOM 904 N TYR A 59 0.270 1.046 5.041 1.00 0.02 N ATOM 905 CA TYR A 59 0.821 -0.342 4.895 1.00 0.01 C ATOM 906 C TYR A 59 -0.258 -1.261 4.318 1.00 0.01 C ATOM 907 O TYR A 59 -1.391 -1.272 4.757 1.00 0.02 O ATOM 908 CB TYR A 59 1.260 -0.869 6.265 1.00 0.01 C ATOM 909 CG TYR A 59 2.561 -0.214 6.666 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.753 -0.584 6.033 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.577 0.765 7.669 1.00 0.01 C ATOM 912 CE1 TYR A 59 4.960 0.022 6.402 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.785 1.371 8.037 1.00 0.01 C ATOM 914 CZ TYR A 59 4.976 0.999 7.403 1.00 0.01 C ATOM 915 OH TYR A 59 6.165 1.598 7.765 1.00 0.01 O ATOM 0 H TYR A 59 -0.671 1.094 5.432 1.00 0.02 H new ATOM 0 HA TYR A 59 1.679 -0.321 4.224 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.492 -0.661 7.009 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.382 -1.951 6.227 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.742 -1.337 5.259 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.658 1.052 8.158 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.879 -0.265 5.913 1.00 0.02 H new ATOM 0 HE2 TYR A 59 3.797 2.125 8.810 1.00 0.01 H new ATOM 0 HH TYR A 59 6.722 0.953 8.249 1.00 0.01 H new ATOM 925 N ILE A 60 0.103 -2.046 3.330 1.00 0.02 N ATOM 926 CA ILE A 60 -0.870 -2.993 2.705 1.00 0.01 C ATOM 927 C ILE A 60 -0.689 -4.367 3.358 1.00 0.01 C ATOM 928 O ILE A 60 0.418 -4.844 3.509 1.00 0.01 O ATOM 929 CB ILE A 60 -0.611 -3.087 1.190 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.170 -1.840 0.493 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.311 -4.330 0.619 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.597 -0.574 1.133 1.00 1.72 C ATOM 0 H ILE A 60 1.040 -2.070 2.928 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.890 -2.640 2.857 1.00 0.01 H new ATOM 0 HB ILE A 60 0.463 -3.158 1.018 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -0.920 -1.865 -0.568 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.258 -1.832 0.564 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.125 -4.392 -0.453 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.922 -5.223 1.107 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.384 -4.258 0.797 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.002 0.304 0.629 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.869 -0.544 2.188 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.489 -0.578 1.039 1.00 1.72 H new ATOM 944 N LEU A 61 -1.765 -4.987 3.766 1.00 0.01 N ATOM 945 CA LEU A 61 -1.672 -6.324 4.442 1.00 0.01 C ATOM 946 C LEU A 61 -2.469 -7.392 3.640 1.00 0.01 C ATOM 947 O LEU A 61 -3.682 -7.354 3.630 1.00 0.00 O ATOM 948 CB LEU A 61 -2.283 -6.181 5.860 1.00 0.01 C ATOM 949 CG LEU A 61 -1.178 -6.150 6.937 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.779 -5.682 8.264 1.00 0.01 C ATOM 951 CD2 LEU A 61 -0.570 -7.554 7.119 1.00 0.01 C ATOM 0 H LEU A 61 -2.713 -4.625 3.661 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.631 -6.642 4.497 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.875 -5.267 5.915 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.961 -7.012 6.053 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.393 -5.463 6.621 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -1.001 -5.659 9.028 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.197 -4.683 8.142 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.567 -6.370 8.569 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.208 -7.518 7.882 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.349 -8.251 7.429 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.138 -7.889 6.176 1.00 0.01 H new ATOM 963 N PRO A 62 -1.821 -8.356 2.994 1.00 0.02 N ATOM 964 CA PRO A 62 -2.578 -9.414 2.265 1.00 0.01 C ATOM 965 C PRO A 62 -3.150 -10.436 3.262 1.00 0.00 C ATOM 966 O PRO A 62 -2.814 -10.420 4.430 1.00 0.02 O ATOM 967 CB PRO A 62 -1.495 -10.039 1.370 1.00 1.47 C ATOM 968 CG PRO A 62 -0.121 -9.626 1.931 1.00 1.29 C ATOM 969 CD PRO A 62 -0.332 -8.464 2.923 1.00 0.82 C ATOM 0 HA PRO A 62 -3.434 -9.046 1.699 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.591 -11.125 1.357 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.606 -9.696 0.341 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.354 -10.470 2.431 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.543 -9.319 1.123 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.105 -8.680 3.898 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.124 -7.540 2.567 1.00 0.82 H new ATOM 977 N GLN A 63 -4.012 -11.316 2.825 1.00 0.02 N ATOM 978 CA GLN A 63 -4.596 -12.320 3.767 1.00 0.00 C ATOM 979 C GLN A 63 -3.481 -13.066 4.510 1.00 0.00 C ATOM 980 O GLN A 63 -2.464 -13.400 3.936 1.00 0.02 O ATOM 981 CB GLN A 63 -5.431 -13.327 2.968 1.00 1.27 C ATOM 982 CG GLN A 63 -6.309 -14.156 3.913 1.00 1.67 C ATOM 983 CD GLN A 63 -5.438 -15.150 4.685 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.594 -15.808 4.110 1.00 4.25 O ATOM 985 NE2 GLN A 63 -5.608 -15.286 5.972 1.00 3.04 N ATOM 0 H GLN A 63 -4.337 -11.384 1.861 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.222 -11.804 4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.056 -12.801 2.247 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.774 -13.985 2.399 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -6.833 -13.500 4.608 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -7.070 -14.690 3.344 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.317 -14.733 6.454 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -5.032 -15.945 6.496 1.00 3.04 H new ATOM 994 N GLY A 64 -3.660 -13.344 5.781 1.00 0.02 N ATOM 995 CA GLY A 64 -2.600 -14.081 6.531 1.00 0.01 C ATOM 996 C GLY A 64 -2.677 -13.758 8.026 1.00 0.02 C ATOM 997 O GLY A 64 -3.549 -13.045 8.481 1.00 0.02 O ATOM 0 H GLY A 64 -4.487 -13.094 6.324 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.718 -15.154 6.378 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.618 -13.810 6.145 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.753 -14.282 8.792 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.732 -14.021 10.266 1.00 0.02 C ATOM 1003 C GLU A 65 -0.442 -13.281 10.615 1.00 0.02 C ATOM 1004 O GLU A 65 0.641 -13.695 10.253 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.763 -15.354 11.015 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.886 -15.088 12.517 1.00 0.49 C ATOM 1007 CD GLU A 65 -1.895 -16.417 13.271 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -2.856 -17.154 13.123 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -0.941 -16.676 13.986 1.00 0.71 O ATOM 0 H GLU A 65 -1.003 -14.887 8.456 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.597 -13.422 10.550 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.603 -15.958 10.671 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.856 -15.922 10.808 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.055 -14.470 12.857 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.801 -14.533 12.725 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.560 -12.184 11.318 1.00 0.02 N ATOM 1017 CA TYR A 66 0.637 -11.384 11.713 1.00 0.02 C ATOM 1018 C TYR A 66 0.703 -11.352 13.254 1.00 0.02 C ATOM 1019 O TYR A 66 0.003 -10.579 13.882 1.00 0.02 O ATOM 1020 CB TYR A 66 0.458 -9.969 11.155 1.00 0.01 C ATOM 1021 CG TYR A 66 0.491 -10.049 9.643 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.590 -10.614 8.951 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.608 -9.588 8.935 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.554 -10.713 7.556 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.645 -9.692 7.540 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.564 -10.255 6.850 1.00 0.02 C ATOM 1027 OH TYR A 66 0.601 -10.359 5.476 1.00 0.01 O ATOM 0 H TYR A 66 -1.450 -11.803 11.640 1.00 0.02 H new ATOM 0 HA TYR A 66 1.559 -11.815 11.323 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.487 -9.544 11.493 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.250 -9.314 11.518 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.451 -10.973 9.495 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.441 -9.152 9.466 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.389 -11.143 7.024 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.508 -9.338 6.995 1.00 0.02 H new ATOM 0 HH TYR A 66 1.376 -9.868 5.131 1.00 0.01 H new ATOM 1037 N PRO A 67 1.506 -12.202 13.881 1.00 0.01 N ATOM 1038 CA PRO A 67 1.568 -12.231 15.369 1.00 0.02 C ATOM 1039 C PRO A 67 2.184 -10.975 16.003 1.00 0.02 C ATOM 1040 O PRO A 67 2.166 -10.833 17.207 1.00 0.02 O ATOM 1041 CB PRO A 67 2.424 -13.486 15.659 1.00 0.02 C ATOM 1042 CG PRO A 67 2.928 -14.057 14.318 1.00 0.02 C ATOM 1043 CD PRO A 67 2.382 -13.183 13.172 1.00 0.01 C ATOM 0 HA PRO A 67 0.569 -12.259 15.805 1.00 0.02 H new ATOM 0 HB2 PRO A 67 3.266 -13.229 16.302 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.834 -14.232 16.190 1.00 0.02 H new ATOM 0 HG2 PRO A 67 4.018 -14.069 14.298 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.596 -15.088 14.198 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.184 -12.686 12.627 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.822 -13.773 12.447 1.00 0.01 H new ATOM 1051 N GLU A 68 2.717 -10.057 15.236 1.00 0.01 N ATOM 1052 CA GLU A 68 3.303 -8.832 15.860 1.00 0.01 C ATOM 1053 C GLU A 68 3.357 -7.729 14.800 1.00 0.03 C ATOM 1054 O GLU A 68 3.341 -7.979 13.613 1.00 0.02 O ATOM 1055 CB GLU A 68 4.728 -9.118 16.345 1.00 0.69 C ATOM 1056 CG GLU A 68 4.700 -10.038 17.571 1.00 1.09 C ATOM 1057 CD GLU A 68 6.057 -9.991 18.276 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.561 -8.898 18.471 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.567 -11.048 18.608 1.00 1.55 O ATOM 0 H GLU A 68 2.772 -10.101 14.218 1.00 0.01 H new ATOM 0 HA GLU A 68 2.690 -8.527 16.708 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.304 -9.584 15.546 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.228 -8.183 16.595 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.912 -9.725 18.256 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.471 -11.060 17.267 1.00 1.09 H new ATOM 1066 N TYR A 69 3.369 -6.501 15.239 1.00 0.02 N ATOM 1067 CA TYR A 69 3.354 -5.360 14.278 1.00 0.02 C ATOM 1068 C TYR A 69 4.562 -5.374 13.338 1.00 0.01 C ATOM 1069 O TYR A 69 4.456 -5.036 12.172 1.00 0.01 O ATOM 1070 CB TYR A 69 3.279 -4.037 15.051 1.00 0.02 C ATOM 1071 CG TYR A 69 4.616 -3.729 15.688 1.00 0.02 C ATOM 1072 CD1 TYR A 69 5.013 -4.401 16.849 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.454 -2.760 15.118 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.247 -4.107 17.441 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.687 -2.467 15.709 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.085 -3.140 16.872 1.00 0.02 C ATOM 1077 OH TYR A 69 8.300 -2.849 17.455 1.00 0.01 O ATOM 0 H TYR A 69 3.389 -6.237 16.224 1.00 0.02 H new ATOM 0 HA TYR A 69 2.470 -5.464 13.649 1.00 0.02 H new ATOM 0 HB2 TYR A 69 2.994 -3.229 14.377 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.508 -4.099 15.819 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.367 -5.147 17.289 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.147 -2.240 14.223 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.553 -4.626 18.337 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.333 -1.722 15.269 1.00 0.02 H new ATOM 0 HH TYR A 69 8.756 -2.156 16.933 1.00 0.01 H new ATOM 1087 N GLN A 70 5.709 -5.751 13.828 1.00 0.01 N ATOM 1088 CA GLN A 70 6.920 -5.785 12.962 1.00 0.02 C ATOM 1089 C GLN A 70 6.698 -6.746 11.788 1.00 0.01 C ATOM 1090 O GLN A 70 7.350 -6.663 10.768 1.00 0.02 O ATOM 1091 CB GLN A 70 8.113 -6.274 13.784 1.00 0.01 C ATOM 1092 CG GLN A 70 8.185 -5.494 15.098 1.00 0.01 C ATOM 1093 CD GLN A 70 9.446 -5.899 15.865 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.308 -6.563 15.328 1.00 0.01 O ATOM 1095 NE2 GLN A 70 9.588 -5.526 17.108 1.00 0.02 N ATOM 0 H GLN A 70 5.861 -6.038 14.795 1.00 0.01 H new ATOM 0 HA GLN A 70 7.113 -4.783 12.579 1.00 0.02 H new ATOM 0 HB2 GLN A 70 8.015 -7.340 13.987 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.036 -6.141 13.219 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.197 -4.423 14.897 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.300 -5.695 15.701 1.00 0.01 H new ATOM 0 HE21 GLN A 70 8.863 -4.968 17.559 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.424 -5.793 17.628 1.00 0.02 H new ATOM 1104 N ARG A 71 5.780 -7.662 11.940 1.00 0.01 N ATOM 1105 CA ARG A 71 5.513 -8.644 10.850 1.00 0.02 C ATOM 1106 C ARG A 71 4.881 -7.939 9.641 1.00 0.01 C ATOM 1107 O ARG A 71 4.951 -8.430 8.531 1.00 0.02 O ATOM 1108 CB ARG A 71 4.586 -9.750 11.366 1.00 0.34 C ATOM 1109 CG ARG A 71 4.597 -10.943 10.392 1.00 0.72 C ATOM 1110 CD ARG A 71 5.847 -11.828 10.622 1.00 1.04 C ATOM 1111 NE ARG A 71 6.496 -12.153 9.309 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.792 -12.566 8.285 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.514 -12.793 8.410 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.377 -12.778 7.137 1.00 3.42 N ATOM 0 H ARG A 71 5.202 -7.773 12.773 1.00 0.01 H new ATOM 0 HA ARG A 71 6.456 -9.090 10.534 1.00 0.02 H new ATOM 0 HB2 ARG A 71 4.909 -10.074 12.355 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.572 -9.366 11.472 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.694 -11.538 10.528 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.587 -10.580 9.364 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.555 -11.310 11.268 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.562 -12.747 11.133 1.00 1.04 H new ATOM 0 HE ARG A 71 7.506 -12.050 9.212 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.056 -12.649 9.310 1.00 2.54 H new ATOM 0 HH12 ARG A 71 3.972 -13.115 7.608 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.380 -12.622 7.039 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.831 -13.100 6.338 1.00 3.42 H new ATOM 1128 N TRP A 72 4.299 -6.772 9.837 1.00 0.02 N ATOM 1129 CA TRP A 72 3.702 -6.018 8.678 1.00 0.01 C ATOM 1130 C TRP A 72 4.564 -4.793 8.397 1.00 0.01 C ATOM 1131 O TRP A 72 4.175 -3.886 7.691 1.00 0.02 O ATOM 1132 CB TRP A 72 2.226 -5.638 8.940 1.00 0.02 C ATOM 1133 CG TRP A 72 2.032 -4.675 10.078 1.00 0.01 C ATOM 1134 CD1 TRP A 72 2.468 -3.392 10.127 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.283 -4.891 11.312 1.00 0.02 C ATOM 1136 NE1 TRP A 72 2.041 -2.819 11.312 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.314 -3.704 12.077 1.00 0.02 C ATOM 1138 CE3 TRP A 72 0.595 -5.998 11.838 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.678 -3.612 13.317 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -0.043 -5.911 13.085 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -0.003 -4.720 13.824 1.00 0.02 C ATOM 0 H TRP A 72 4.212 -6.312 10.743 1.00 0.02 H new ATOM 0 HA TRP A 72 3.693 -6.659 7.797 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.808 -5.201 8.033 1.00 0.02 H new ATOM 0 HB3 TRP A 72 1.659 -6.546 9.146 1.00 0.02 H new ATOM 0 HD1 TRP A 72 3.053 -2.898 9.365 1.00 0.01 H new ATOM 0 HE1 TRP A 72 2.241 -1.857 11.586 1.00 0.02 H new ATOM 0 HE3 TRP A 72 0.557 -6.921 11.279 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.713 -2.691 13.879 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -0.569 -6.768 13.479 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -0.497 -4.660 14.782 1.00 0.02 H new ATOM 1152 N MET A 73 5.758 -4.793 8.935 1.00 0.02 N ATOM 1153 CA MET A 73 6.711 -3.663 8.732 1.00 0.02 C ATOM 1154 C MET A 73 6.169 -2.375 9.362 1.00 0.01 C ATOM 1155 O MET A 73 6.538 -1.281 8.981 1.00 0.02 O ATOM 1156 CB MET A 73 6.953 -3.438 7.233 1.00 0.02 C ATOM 1157 CG MET A 73 7.228 -4.776 6.544 1.00 0.01 C ATOM 1158 SD MET A 73 7.561 -4.490 4.788 1.00 0.01 S ATOM 1159 CE MET A 73 8.564 -5.968 4.505 1.00 0.01 C ATOM 0 H MET A 73 6.118 -5.547 9.519 1.00 0.02 H new ATOM 0 HA MET A 73 7.652 -3.922 9.216 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.083 -2.959 6.783 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.798 -2.764 7.089 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.080 -5.270 7.011 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.371 -5.440 6.660 1.00 0.01 H new ATOM 0 HE1 MET A 73 8.885 -5.996 3.464 1.00 0.01 H new ATOM 0 HE2 MET A 73 9.440 -5.943 5.154 1.00 0.01 H new ATOM 0 HE3 MET A 73 7.973 -6.857 4.727 1.00 0.01 H new ATOM 1169 N GLY A 74 5.301 -2.498 10.335 1.00 0.02 N ATOM 1170 CA GLY A 74 4.745 -1.286 10.998 1.00 0.02 C ATOM 1171 C GLY A 74 5.871 -0.529 11.693 1.00 0.01 C ATOM 1172 O GLY A 74 6.795 -1.117 12.218 1.00 0.01 O ATOM 0 H GLY A 74 4.955 -3.387 10.697 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.261 -0.645 10.262 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.982 -1.572 11.722 1.00 0.02 H new ATOM 1176 N LEU A 75 5.782 0.771 11.735 1.00 0.02 N ATOM 1177 CA LEU A 75 6.833 1.560 12.438 1.00 0.02 C ATOM 1178 C LEU A 75 6.536 1.522 13.946 1.00 0.01 C ATOM 1179 O LEU A 75 7.429 1.581 14.768 1.00 0.02 O ATOM 1180 CB LEU A 75 6.829 3.008 11.925 1.00 0.55 C ATOM 1181 CG LEU A 75 7.581 3.102 10.581 1.00 0.58 C ATOM 1182 CD1 LEU A 75 7.093 4.326 9.800 1.00 0.98 C ATOM 1183 CD2 LEU A 75 9.092 3.241 10.821 1.00 0.42 C ATOM 0 H LEU A 75 5.031 1.320 11.315 1.00 0.02 H new ATOM 0 HA LEU A 75 7.818 1.135 12.246 1.00 0.02 H new ATOM 0 HB2 LEU A 75 5.803 3.354 11.800 1.00 0.55 H new ATOM 0 HB3 LEU A 75 7.299 3.662 12.659 1.00 0.55 H new ATOM 0 HG LEU A 75 7.386 2.192 10.013 1.00 0.58 H new ATOM 0 HD11 LEU A 75 7.626 4.389 8.852 1.00 0.98 H new ATOM 0 HD12 LEU A 75 6.024 4.233 9.609 1.00 0.98 H new ATOM 0 HD13 LEU A 75 7.281 5.228 10.382 1.00 0.98 H new ATOM 0 HD21 LEU A 75 9.608 3.306 9.863 1.00 0.42 H new ATOM 0 HD22 LEU A 75 9.287 4.144 11.400 1.00 0.42 H new ATOM 0 HD23 LEU A 75 9.455 2.372 11.370 1.00 0.42 H new ATOM 1195 N ASN A 76 5.282 1.390 14.307 1.00 0.01 N ATOM 1196 CA ASN A 76 4.885 1.307 15.739 1.00 0.02 C ATOM 1197 C ASN A 76 3.529 0.592 15.788 1.00 0.02 C ATOM 1198 O ASN A 76 3.079 0.058 14.794 1.00 0.02 O ATOM 1199 CB ASN A 76 4.767 2.714 16.330 1.00 0.02 C ATOM 1200 CG ASN A 76 6.153 3.355 16.404 1.00 0.02 C ATOM 1201 OD1 ASN A 76 6.454 4.269 15.662 1.00 0.01 O ATOM 1202 ND2 ASN A 76 7.016 2.914 17.278 1.00 0.02 N ATOM 0 H ASN A 76 4.503 1.336 13.650 1.00 0.01 H new ATOM 0 HA ASN A 76 5.628 0.762 16.321 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.105 3.324 15.715 1.00 0.02 H new ATOM 0 HB3 ASN A 76 4.323 2.666 17.325 1.00 0.02 H new ATOM 0 HD21 ASN A 76 7.942 3.337 17.338 1.00 0.02 H new ATOM 0 HD22 ASN A 76 6.764 2.147 17.901 1.00 0.02 H new ATOM 1209 N ASP A 77 2.874 0.557 16.922 1.00 0.01 N ATOM 1210 CA ASP A 77 1.552 -0.148 17.003 1.00 0.01 C ATOM 1211 C ASP A 77 0.406 0.859 16.885 1.00 0.01 C ATOM 1212 O ASP A 77 -0.665 0.651 17.428 1.00 0.01 O ATOM 1213 CB ASP A 77 1.442 -0.863 18.352 1.00 0.01 C ATOM 1214 CG ASP A 77 1.723 0.133 19.480 1.00 0.01 C ATOM 1215 OD1 ASP A 77 1.959 1.290 19.176 1.00 0.01 O ATOM 1216 OD2 ASP A 77 1.696 -0.280 20.628 1.00 0.02 O ATOM 0 H ASP A 77 3.193 0.983 17.792 1.00 0.01 H new ATOM 0 HA ASP A 77 1.486 -0.867 16.187 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.446 -1.291 18.469 1.00 0.01 H new ATOM 0 HB3 ASP A 77 2.151 -1.690 18.397 1.00 0.01 H new ATOM 1221 N ARG A 78 0.623 1.958 16.205 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.453 2.993 16.081 1.00 0.01 C ATOM 1223 C ARG A 78 -1.218 2.843 14.763 1.00 0.02 C ATOM 1224 O ARG A 78 -0.651 2.913 13.692 1.00 0.02 O ATOM 1225 CB ARG A 78 0.178 4.385 16.151 1.00 0.43 C ATOM 1226 CG ARG A 78 1.196 4.430 17.291 1.00 0.80 C ATOM 1227 CD ARG A 78 1.742 5.853 17.425 1.00 1.00 C ATOM 1228 NE ARG A 78 2.031 6.401 16.070 1.00 1.30 N ATOM 1229 CZ ARG A 78 2.218 7.682 15.911 1.00 2.30 C ATOM 1230 NH1 ARG A 78 2.149 8.483 16.939 1.00 2.72 N ATOM 1231 NH2 ARG A 78 2.473 8.162 14.723 1.00 3.20 N ATOM 0 H ARG A 78 1.497 2.184 15.731 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.159 2.858 16.900 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.665 4.622 15.205 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.594 5.138 16.310 1.00 0.43 H new ATOM 0 HG2 ARG A 78 0.728 4.118 18.225 1.00 0.80 H new ATOM 0 HG3 ARG A 78 2.010 3.733 17.095 1.00 0.80 H new ATOM 0 HD2 ARG A 78 1.018 6.485 17.938 1.00 1.00 H new ATOM 0 HD3 ARG A 78 2.649 5.851 18.030 1.00 1.00 H new ATOM 0 HE ARG A 78 2.083 5.774 15.267 1.00 1.30 H new ATOM 0 HH11 ARG A 78 1.949 8.107 17.866 1.00 2.72 H new ATOM 0 HH12 ARG A 78 2.295 9.485 16.816 1.00 2.72 H new ATOM 0 HH21 ARG A 78 2.526 7.535 13.920 1.00 3.20 H new ATOM 0 HH22 ARG A 78 2.619 9.164 14.598 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.513 2.685 14.840 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.355 2.583 13.610 1.00 0.01 C ATOM 1247 C LEU A 79 -4.679 3.291 13.913 1.00 0.01 C ATOM 1248 O LEU A 79 -5.368 2.947 14.853 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.615 1.111 13.262 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.341 0.456 12.688 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.592 -1.050 12.420 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.912 1.165 11.378 1.00 2.61 C ATOM 0 H LEU A 79 -3.031 2.621 15.716 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.851 3.042 12.759 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.938 0.572 14.153 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.425 1.041 12.536 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.538 0.557 13.418 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.687 -1.503 12.015 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.860 -1.546 13.353 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.406 -1.161 11.703 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.012 0.691 10.986 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.713 1.087 10.643 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.709 2.216 11.583 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.013 4.311 13.161 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.269 5.087 13.440 1.00 0.02 C ATOM 1266 C GLY A 80 -7.366 4.800 12.411 1.00 0.02 C ATOM 1267 O GLY A 80 -8.521 5.100 12.639 1.00 0.01 O ATOM 0 H GLY A 80 -4.471 4.643 12.363 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.634 4.839 14.437 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.043 6.153 13.440 1.00 0.02 H new ATOM 1271 N SER A 81 -7.040 4.229 11.284 1.00 0.01 N ATOM 1272 CA SER A 81 -8.104 3.945 10.274 1.00 0.01 C ATOM 1273 C SER A 81 -7.657 2.805 9.363 1.00 0.02 C ATOM 1274 O SER A 81 -6.481 2.548 9.195 1.00 0.01 O ATOM 1275 CB SER A 81 -8.362 5.200 9.442 1.00 0.01 C ATOM 1276 OG SER A 81 -9.289 4.896 8.410 1.00 0.01 O ATOM 0 H SER A 81 -6.096 3.949 11.019 1.00 0.01 H new ATOM 0 HA SER A 81 -9.022 3.654 10.785 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.753 5.996 10.075 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.429 5.564 9.013 1.00 0.01 H new ATOM 0 HG SER A 81 -9.192 5.545 7.682 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.602 2.113 8.771 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.248 0.980 7.863 1.00 0.01 C ATOM 1284 C CYS A 82 -9.249 0.908 6.705 1.00 0.01 C ATOM 1285 O CYS A 82 -10.414 1.223 6.855 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.275 -0.339 8.641 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.187 -0.210 10.082 1.00 0.02 S ATOM 0 H CYS A 82 -9.602 2.285 8.878 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.246 1.146 7.466 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.293 -0.565 8.959 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.952 -1.159 8.000 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.398 0.814 9.940 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.803 0.476 5.552 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.721 0.358 4.375 1.00 0.01 C ATOM 1295 C ARG A 83 -9.490 -0.992 3.703 1.00 0.01 C ATOM 1296 O ARG A 83 -8.373 -1.446 3.556 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.401 1.455 3.350 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.207 2.798 4.053 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.853 3.864 3.011 1.00 0.01 C ATOM 1300 NE ARG A 83 -7.760 3.363 2.131 1.00 0.01 N ATOM 1301 CZ ARG A 83 -7.518 3.954 0.994 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.228 4.986 0.631 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -6.561 3.515 0.222 1.00 0.01 N ATOM 0 H ARG A 83 -7.838 0.198 5.373 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.752 0.455 4.716 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.499 1.193 2.797 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -10.210 1.531 2.624 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.116 3.079 4.584 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -8.414 2.722 4.797 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.731 4.108 2.413 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -8.541 4.782 3.508 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.202 2.559 2.418 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.973 5.331 1.236 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.038 5.448 -0.258 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.003 2.710 0.508 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -6.371 3.977 -0.668 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.542 -1.636 3.279 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.379 -2.946 2.604 1.00 0.01 C ATOM 1319 C ALA A 84 -9.909 -2.685 1.180 1.00 0.01 C ATOM 1320 O ALA A 84 -10.475 -1.886 0.462 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.719 -3.684 2.558 1.00 0.43 C ATOM 0 H ALA A 84 -11.504 -1.310 3.372 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.658 -3.556 3.148 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.588 -4.645 2.060 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.079 -3.847 3.574 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.445 -3.086 2.007 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.888 -3.371 0.762 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.385 -3.191 -0.625 1.00 0.01 C ATOM 1329 C VAL A 85 -9.098 -4.199 -1.532 1.00 0.01 C ATOM 1330 O VAL A 85 -9.068 -5.391 -1.294 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.874 -3.417 -0.657 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.335 -3.099 -2.050 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.199 -2.501 0.367 1.00 1.12 C ATOM 0 H VAL A 85 -8.377 -4.052 1.323 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.587 -2.179 -0.975 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.661 -4.458 -0.415 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.257 -3.261 -2.069 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.813 -3.750 -2.782 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.550 -2.059 -2.294 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.121 -2.662 0.344 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.416 -1.461 0.123 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.579 -2.727 1.363 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.740 -3.734 -2.567 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.457 -4.665 -3.489 1.00 0.01 C ATOM 1345 C HIS A 86 -9.500 -5.073 -4.603 1.00 0.01 C ATOM 1346 O HIS A 86 -8.804 -4.257 -5.169 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.673 -3.951 -4.086 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.365 -3.164 -3.006 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -13.486 -3.642 -2.347 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.101 -1.934 -2.456 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.852 -2.712 -1.445 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.042 -1.651 -1.471 1.00 1.71 N ATOM 0 H HIS A 86 -9.800 -2.747 -2.817 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.794 -5.549 -2.948 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.360 -3.288 -4.892 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.360 -4.678 -4.520 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -11.287 -1.285 -2.744 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -14.698 -2.812 -0.781 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -13.100 -0.813 -0.893 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.467 -6.343 -4.922 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.561 -6.839 -5.999 1.00 0.01 C ATOM 1362 C LEU A 87 -9.359 -6.979 -7.293 1.00 0.01 C ATOM 1363 O LEU A 87 -10.468 -7.476 -7.298 1.00 0.01 O ATOM 1364 CB LEU A 87 -8.004 -8.214 -5.590 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.715 -8.236 -4.086 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.064 -9.570 -3.713 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.765 -7.091 -3.730 1.00 1.34 C ATOM 0 H LEU A 87 -10.036 -7.063 -4.477 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.738 -6.140 -6.149 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.721 -8.996 -5.842 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.092 -8.426 -6.147 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.648 -8.118 -3.536 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.858 -9.587 -2.643 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.739 -10.388 -3.966 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.131 -9.686 -4.264 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.560 -7.108 -2.660 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.831 -7.209 -4.280 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.226 -6.140 -3.996 1.00 1.34 H new ATOM 1379 N SER A 88 -8.786 -6.573 -8.397 1.00 0.01 N ATOM 1380 CA SER A 88 -9.471 -6.699 -9.715 1.00 0.01 C ATOM 1381 C SER A 88 -8.728 -7.741 -10.549 1.00 0.01 C ATOM 1382 O SER A 88 -7.544 -7.601 -10.779 1.00 0.01 O ATOM 1383 CB SER A 88 -9.440 -5.354 -10.444 1.00 0.81 C ATOM 1384 OG SER A 88 -10.150 -4.389 -9.679 1.00 1.08 O ATOM 0 H SER A 88 -7.857 -6.153 -8.439 1.00 0.01 H new ATOM 0 HA SER A 88 -10.508 -7.001 -9.567 1.00 0.01 H new ATOM 0 HB2 SER A 88 -8.409 -5.031 -10.592 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.888 -5.453 -11.433 1.00 0.81 H new ATOM 0 HG SER A 88 -10.131 -3.526 -10.142 1.00 1.08 H new ATOM 1390 N SER A 89 -9.389 -8.750 -11.056 1.00 0.01 N ATOM 1391 CA SER A 89 -8.681 -9.739 -11.928 1.00 0.01 C ATOM 1392 C SER A 89 -9.072 -9.400 -13.360 1.00 0.01 C ATOM 1393 O SER A 89 -9.464 -8.280 -13.625 1.00 0.01 O ATOM 1394 CB SER A 89 -9.137 -11.159 -11.590 1.00 0.43 C ATOM 1395 OG SER A 89 -8.944 -11.394 -10.201 1.00 1.26 O ATOM 0 H SER A 89 -10.381 -8.932 -10.906 1.00 0.01 H new ATOM 0 HA SER A 89 -7.602 -9.692 -11.784 1.00 0.01 H new ATOM 0 HB2 SER A 89 -10.188 -11.288 -11.850 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.572 -11.884 -12.176 1.00 0.43 H new ATOM 0 HG SER A 89 -9.237 -12.303 -9.979 1.00 1.26 H new ATOM 1401 N GLY A 90 -9.024 -10.324 -14.288 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.453 -9.995 -15.685 1.00 0.00 C ATOM 1403 C GLY A 90 -8.500 -10.568 -16.735 1.00 0.00 C ATOM 1404 O GLY A 90 -8.934 -11.193 -17.683 1.00 0.01 O ATOM 0 H GLY A 90 -8.710 -11.283 -14.142 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.456 -10.386 -15.856 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.509 -8.913 -15.800 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.211 -10.383 -16.600 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.300 -10.954 -17.629 1.00 0.00 C ATOM 1410 C GLY A 91 -4.826 -10.639 -17.338 1.00 0.00 C ATOM 1411 O GLY A 91 -4.196 -11.308 -16.541 1.00 0.01 O ATOM 0 H GLY A 91 -6.761 -9.873 -15.840 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.437 -12.034 -17.674 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.568 -10.558 -18.609 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.264 -9.644 -17.987 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.813 -9.302 -17.763 1.00 2.31 C ATOM 1417 C GLN A 92 -2.661 -7.848 -17.298 1.00 1.91 C ATOM 1418 O GLN A 92 -3.047 -6.914 -17.975 1.00 2.31 O ATOM 1419 CB GLN A 92 -2.048 -9.530 -19.070 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.542 -9.397 -18.821 1.00 2.86 C ATOM 1421 CD GLN A 92 -0.059 -10.565 -17.960 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -0.779 -11.520 -17.750 1.00 3.99 O ATOM 1423 NE2 GLN A 92 1.142 -10.527 -17.448 1.00 4.43 N ATOM 0 H GLN A 92 -4.745 -9.051 -18.664 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.406 -9.942 -16.981 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.274 -10.520 -19.466 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.367 -8.806 -19.820 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.006 -9.386 -19.770 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.328 -8.452 -18.323 1.00 2.86 H new ATOM 0 HE21 GLN A 92 1.747 -9.725 -17.625 1.00 4.43 H new ATOM 0 HE22 GLN A 92 1.475 -11.300 -16.872 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.092 -7.669 -16.131 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.901 -6.288 -15.596 1.00 0.01 C ATOM 1434 C ALA A 93 -0.701 -5.639 -16.297 1.00 0.01 C ATOM 1435 O ALA A 93 0.351 -6.233 -16.423 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.642 -6.344 -14.086 1.00 2.99 C ATOM 0 H ALA A 93 -1.753 -8.419 -15.528 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.800 -5.700 -15.781 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.504 -5.333 -13.703 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.493 -6.808 -13.588 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.744 -6.931 -13.892 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.861 -4.426 -16.759 1.00 0.00 N ATOM 1443 CA LYS A 94 0.252 -3.714 -17.466 1.00 0.01 C ATOM 1444 C LYS A 94 0.425 -2.321 -16.854 1.00 0.01 C ATOM 1445 O LYS A 94 -0.539 -1.661 -16.517 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.134 -3.591 -18.941 1.00 2.49 C ATOM 1447 CG LYS A 94 1.076 -3.103 -19.744 1.00 3.43 C ATOM 1448 CD LYS A 94 0.718 -3.012 -21.236 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.019 -1.698 -21.527 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.194 -1.545 -22.998 1.00 6.36 N ATOM 0 H LYS A 94 -1.725 -3.890 -16.677 1.00 0.00 H new ATOM 0 HA LYS A 94 1.189 -4.261 -17.367 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.472 -4.555 -19.321 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -0.965 -2.894 -19.054 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.395 -2.127 -19.378 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.914 -3.785 -19.604 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.624 -3.070 -21.839 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.092 -3.858 -21.519 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.990 -1.695 -21.032 1.00 5.23 H new ATOM 0 HE3 LYS A 94 0.545 -0.855 -21.127 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -0.693 -0.655 -23.197 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 0.738 -1.530 -23.459 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -0.749 -2.343 -23.366 1.00 6.36 H new ATOM 1464 N ILE A 95 1.652 -1.874 -16.694 1.00 0.00 N ATOM 1465 CA ILE A 95 1.905 -0.525 -16.088 1.00 0.01 C ATOM 1466 C ILE A 95 2.779 0.305 -17.033 1.00 0.01 C ATOM 1467 O ILE A 95 3.714 -0.185 -17.641 1.00 0.01 O ATOM 1468 CB ILE A 95 2.621 -0.713 -14.742 1.00 0.34 C ATOM 1469 CG1 ILE A 95 3.217 0.627 -14.262 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.740 -1.745 -14.903 1.00 0.36 C ATOM 1471 CD1 ILE A 95 3.449 0.598 -12.743 1.00 1.09 C ATOM 0 H ILE A 95 2.492 -2.389 -16.959 1.00 0.00 H new ATOM 0 HA ILE A 95 0.961 -0.003 -15.931 1.00 0.01 H new ATOM 0 HB ILE A 95 1.902 -1.063 -14.001 1.00 0.34 H new ATOM 0 HG12 ILE A 95 4.159 0.818 -14.776 1.00 0.30 H new ATOM 0 HG13 ILE A 95 2.543 1.444 -14.518 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.250 -1.880 -13.949 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.315 -2.695 -15.225 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.453 -1.395 -15.649 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.870 1.551 -12.421 1.00 1.09 H new ATOM 0 HD12 ILE A 95 2.500 0.429 -12.233 1.00 1.09 H new ATOM 0 HD13 ILE A 95 4.142 -0.207 -12.496 1.00 1.09 H new ATOM 1483 N GLN A 96 2.494 1.582 -17.118 1.00 0.01 N ATOM 1484 CA GLN A 96 3.302 2.514 -17.961 1.00 0.01 C ATOM 1485 C GLN A 96 3.782 3.655 -17.057 1.00 0.01 C ATOM 1486 O GLN A 96 2.997 4.235 -16.331 1.00 0.00 O ATOM 1487 CB GLN A 96 2.449 3.066 -19.111 1.00 0.53 C ATOM 1488 CG GLN A 96 1.029 3.323 -18.617 1.00 0.82 C ATOM 1489 CD GLN A 96 0.204 3.961 -19.737 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.751 4.478 -20.692 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -1.100 3.947 -19.662 1.00 2.05 N ATOM 0 H GLN A 96 1.718 2.025 -16.627 1.00 0.01 H new ATOM 0 HA GLN A 96 4.153 1.993 -18.400 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.886 3.990 -19.490 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.434 2.357 -19.939 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.568 2.387 -18.300 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.049 3.979 -17.747 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -1.560 3.514 -18.861 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -1.658 4.369 -20.404 1.00 2.05 H new ATOM 1500 N VAL A 97 5.047 3.994 -17.090 1.00 0.01 N ATOM 1501 CA VAL A 97 5.559 5.108 -16.219 1.00 0.01 C ATOM 1502 C VAL A 97 6.239 6.171 -17.083 1.00 0.01 C ATOM 1503 O VAL A 97 6.834 5.875 -18.102 1.00 0.01 O ATOM 1504 CB VAL A 97 6.573 4.544 -15.222 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.899 3.485 -14.348 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.735 3.907 -15.987 1.00 1.03 C ATOM 0 H VAL A 97 5.750 3.550 -17.681 1.00 0.01 H new ATOM 0 HA VAL A 97 4.724 5.559 -15.683 1.00 0.01 H new ATOM 0 HB VAL A 97 6.948 5.350 -14.590 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.623 3.084 -13.638 1.00 1.10 H new ATOM 0 HG12 VAL A 97 5.069 3.936 -13.804 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.524 2.678 -14.978 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.459 3.504 -15.279 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.358 3.102 -16.618 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.217 4.660 -16.610 1.00 1.03 H new ATOM 1516 N PHE A 98 6.134 7.419 -16.683 1.00 0.01 N ATOM 1517 CA PHE A 98 6.745 8.536 -17.473 1.00 0.01 C ATOM 1518 C PHE A 98 7.821 9.254 -16.655 1.00 0.01 C ATOM 1519 O PHE A 98 7.703 9.442 -15.460 1.00 0.01 O ATOM 1520 CB PHE A 98 5.653 9.539 -17.845 1.00 0.25 C ATOM 1521 CG PHE A 98 4.707 8.910 -18.841 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.699 8.045 -18.398 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.831 9.200 -20.206 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.816 7.468 -19.320 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.947 8.624 -21.127 1.00 0.73 C ATOM 1526 CZ PHE A 98 2.940 7.759 -20.683 1.00 0.69 C ATOM 0 H PHE A 98 5.647 7.712 -15.836 1.00 0.01 H new ATOM 0 HA PHE A 98 7.204 8.120 -18.370 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.107 9.845 -16.953 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.100 10.438 -18.270 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.602 7.823 -17.346 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.608 9.868 -20.548 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.040 6.799 -18.979 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.042 8.847 -22.179 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.258 7.316 -21.393 1.00 0.69 H new ATOM 1536 N GLU A 99 8.889 9.617 -17.309 1.00 0.01 N ATOM 1537 CA GLU A 99 10.018 10.288 -16.606 1.00 0.01 C ATOM 1538 C GLU A 99 9.615 11.674 -16.080 1.00 0.01 C ATOM 1539 O GLU A 99 10.145 12.129 -15.087 1.00 0.01 O ATOM 1540 CB GLU A 99 11.197 10.440 -17.568 1.00 0.01 C ATOM 1541 CG GLU A 99 12.340 11.174 -16.864 1.00 0.01 C ATOM 1542 CD GLU A 99 13.627 11.011 -17.673 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.530 10.691 -18.846 1.00 0.01 O ATOM 1544 OE2 GLU A 99 14.690 11.208 -17.106 1.00 0.02 O ATOM 0 H GLU A 99 9.029 9.476 -18.309 1.00 0.01 H new ATOM 0 HA GLU A 99 10.298 9.669 -15.754 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.534 9.460 -17.905 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.887 10.993 -18.455 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.096 12.231 -16.758 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.477 10.776 -15.859 1.00 0.01 H new ATOM 1551 N LYS A 100 8.694 12.356 -16.733 1.00 0.01 N ATOM 1552 CA LYS A 100 8.280 13.724 -16.256 1.00 0.01 C ATOM 1553 C LYS A 100 6.802 13.728 -15.847 1.00 0.01 C ATOM 1554 O LYS A 100 6.060 12.802 -16.118 1.00 0.01 O ATOM 1555 CB LYS A 100 8.498 14.749 -17.372 1.00 0.94 C ATOM 1556 CG LYS A 100 9.985 14.818 -17.719 1.00 1.63 C ATOM 1557 CD LYS A 100 10.220 15.939 -18.734 1.00 2.19 C ATOM 1558 CE LYS A 100 11.712 16.033 -19.055 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.116 14.865 -19.887 1.00 3.18 N ATOM 0 H LYS A 100 8.214 12.027 -17.571 1.00 0.01 H new ATOM 0 HA LYS A 100 8.888 13.986 -15.390 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.921 14.471 -18.254 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.142 15.729 -17.054 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.572 14.999 -16.818 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.318 13.865 -18.130 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.653 15.744 -19.644 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.863 16.888 -18.333 1.00 2.19 H new ATOM 0 HE2 LYS A 100 11.923 16.961 -19.586 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.293 16.054 -18.133 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 12.940 14.400 -19.455 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.327 14.190 -19.944 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 12.363 15.189 -20.844 1.00 3.18 H new ATOM 1573 N GLY A 101 6.386 14.779 -15.192 1.00 0.01 N ATOM 1574 CA GLY A 101 4.971 14.891 -14.726 1.00 0.01 C ATOM 1575 C GLY A 101 4.009 15.014 -15.911 1.00 0.00 C ATOM 1576 O GLY A 101 4.396 15.297 -17.027 1.00 0.01 O ATOM 0 H GLY A 101 6.975 15.577 -14.956 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.710 14.016 -14.131 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.866 15.760 -14.077 1.00 0.01 H new ATOM 1580 N ASP A 102 2.743 14.814 -15.649 1.00 0.01 N ATOM 1581 CA ASP A 102 1.708 14.927 -16.715 1.00 0.00 C ATOM 1582 C ASP A 102 2.022 13.987 -17.878 1.00 0.00 C ATOM 1583 O ASP A 102 1.797 14.300 -19.029 1.00 0.01 O ATOM 1584 CB ASP A 102 1.650 16.370 -17.218 1.00 0.01 C ATOM 1585 CG ASP A 102 1.628 17.328 -16.026 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.576 17.470 -15.424 1.00 0.01 O ATOM 1587 OD2 ASP A 102 2.663 17.903 -15.734 1.00 0.01 O ATOM 0 H ASP A 102 2.379 14.574 -14.727 1.00 0.01 H new ATOM 0 HA ASP A 102 0.743 14.644 -16.295 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.512 16.580 -17.851 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.761 16.516 -17.832 1.00 0.01 H new ATOM 1592 N PHE A 103 2.503 12.816 -17.567 1.00 0.01 N ATOM 1593 CA PHE A 103 2.796 11.807 -18.622 1.00 0.01 C ATOM 1594 C PHE A 103 3.688 12.402 -19.717 1.00 0.00 C ATOM 1595 O PHE A 103 3.359 12.356 -20.884 1.00 0.01 O ATOM 1596 CB PHE A 103 1.469 11.318 -19.233 1.00 0.01 C ATOM 1597 CG PHE A 103 0.384 11.365 -18.180 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.278 10.338 -17.235 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.511 12.442 -18.147 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.724 10.387 -16.258 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.510 12.492 -17.169 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.617 11.465 -16.225 1.00 0.01 C ATOM 0 H PHE A 103 2.708 12.512 -16.615 1.00 0.01 H new ATOM 0 HA PHE A 103 3.329 10.969 -18.172 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.194 11.944 -20.082 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.582 10.301 -19.610 1.00 0.01 H new ATOM 0 HD1 PHE A 103 0.969 9.508 -17.259 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.430 13.234 -18.877 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.808 9.594 -15.530 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.199 13.323 -17.143 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.389 11.504 -15.470 1.00 0.01 H new ATOM 1612 N ASN A 104 4.826 12.938 -19.350 1.00 0.00 N ATOM 1613 CA ASN A 104 5.763 13.517 -20.369 1.00 0.01 C ATOM 1614 C ASN A 104 7.152 12.920 -20.145 1.00 0.01 C ATOM 1615 O ASN A 104 7.415 12.315 -19.124 1.00 0.01 O ATOM 1616 CB ASN A 104 5.833 15.036 -20.204 1.00 1.68 C ATOM 1617 CG ASN A 104 4.540 15.668 -20.727 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.735 16.156 -19.958 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.306 15.679 -22.011 1.00 2.38 N ATOM 0 H ASN A 104 5.150 13.001 -18.385 1.00 0.00 H new ATOM 0 HA ASN A 104 5.408 13.284 -21.373 1.00 0.01 H new ATOM 0 HB2 ASN A 104 5.976 15.292 -19.154 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.690 15.432 -20.749 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.447 16.097 -22.369 1.00 2.38 H new ATOM 0 HD22 ASN A 104 4.982 15.269 -22.656 1.00 2.38 H new ATOM 1626 N GLY A 105 8.050 13.070 -21.085 1.00 0.01 N ATOM 1627 CA GLY A 105 9.419 12.500 -20.911 1.00 0.01 C ATOM 1628 C GLY A 105 9.473 11.110 -21.543 1.00 0.01 C ATOM 1629 O GLY A 105 8.599 10.729 -22.294 1.00 0.01 O ATOM 0 H GLY A 105 7.894 13.562 -21.965 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.158 13.152 -21.376 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.668 12.440 -19.852 1.00 0.01 H new ATOM 1633 N GLN A 106 10.478 10.338 -21.234 1.00 0.01 N ATOM 1634 CA GLN A 106 10.560 8.969 -21.809 1.00 0.01 C ATOM 1635 C GLN A 106 9.541 8.086 -21.090 1.00 0.01 C ATOM 1636 O GLN A 106 9.282 8.247 -19.913 1.00 0.01 O ATOM 1637 CB GLN A 106 11.973 8.413 -21.596 1.00 0.01 C ATOM 1638 CG GLN A 106 12.112 7.059 -22.298 1.00 0.01 C ATOM 1639 CD GLN A 106 12.013 7.252 -23.813 1.00 0.01 C ATOM 1640 OE1 GLN A 106 12.981 7.606 -24.456 1.00 0.01 O ATOM 1641 NE2 GLN A 106 10.876 7.033 -24.413 1.00 0.01 N ATOM 0 H GLN A 106 11.243 10.596 -20.610 1.00 0.01 H new ATOM 0 HA GLN A 106 10.346 8.990 -22.878 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.711 9.113 -21.987 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.173 8.302 -20.530 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.068 6.602 -22.041 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.331 6.379 -21.956 1.00 0.01 H new ATOM 0 HE21 GLN A 106 10.063 6.736 -23.873 1.00 0.01 H new ATOM 0 HE22 GLN A 106 10.799 7.159 -25.422 1.00 0.01 H new ATOM 1650 N MET A 107 8.947 7.165 -21.807 1.00 0.01 N ATOM 1651 CA MET A 107 7.921 6.260 -21.201 1.00 0.01 C ATOM 1652 C MET A 107 8.420 4.818 -21.242 1.00 0.01 C ATOM 1653 O MET A 107 9.032 4.382 -22.196 1.00 0.01 O ATOM 1654 CB MET A 107 6.621 6.359 -22.008 1.00 0.00 C ATOM 1655 CG MET A 107 5.483 5.640 -21.271 1.00 0.01 C ATOM 1656 SD MET A 107 5.656 3.845 -21.478 1.00 0.01 S ATOM 1657 CE MET A 107 4.381 3.616 -22.742 1.00 0.01 C ATOM 0 H MET A 107 9.131 7.000 -22.797 1.00 0.01 H new ATOM 0 HA MET A 107 7.743 6.557 -20.167 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.359 7.406 -22.163 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.762 5.916 -22.994 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.503 5.897 -20.212 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.520 5.969 -21.660 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.420 2.593 -23.117 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.400 3.806 -22.308 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.555 4.310 -23.564 1.00 0.01 H new ATOM 1667 N TYR A 108 8.131 4.069 -20.212 1.00 0.01 N ATOM 1668 CA TYR A 108 8.538 2.633 -20.152 1.00 0.00 C ATOM 1669 C TYR A 108 7.311 1.809 -19.743 1.00 0.01 C ATOM 1670 O TYR A 108 6.564 2.180 -18.858 1.00 0.01 O ATOM 1671 CB TYR A 108 9.646 2.453 -19.113 1.00 0.54 C ATOM 1672 CG TYR A 108 10.929 3.059 -19.631 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.774 2.309 -20.459 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.276 4.370 -19.283 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.964 2.871 -20.939 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.466 4.932 -19.762 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.309 4.182 -20.590 1.00 1.82 C ATOM 1678 OH TYR A 108 14.481 4.735 -21.064 1.00 2.48 O ATOM 0 H TYR A 108 7.620 4.398 -19.393 1.00 0.01 H new ATOM 0 HA TYR A 108 8.911 2.305 -21.122 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.360 2.929 -18.175 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.792 1.394 -18.902 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.508 1.297 -20.727 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.625 4.949 -18.644 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.615 2.293 -21.578 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.733 5.943 -19.493 1.00 1.51 H new ATOM 0 HH TYR A 108 14.569 5.652 -20.729 1.00 2.48 H new ATOM 1688 N GLU A 109 7.093 0.704 -20.410 1.00 0.01 N ATOM 1689 CA GLU A 109 5.905 -0.161 -20.118 1.00 0.01 C ATOM 1690 C GLU A 109 6.372 -1.555 -19.705 1.00 0.01 C ATOM 1691 O GLU A 109 7.237 -2.138 -20.330 1.00 0.01 O ATOM 1692 CB GLU A 109 5.058 -0.251 -21.391 1.00 0.01 C ATOM 1693 CG GLU A 109 3.802 -1.096 -21.130 1.00 0.01 C ATOM 1694 CD GLU A 109 4.150 -2.585 -21.203 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.429 -3.054 -22.294 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.135 -3.229 -20.168 1.00 0.00 O ATOM 0 H GLU A 109 7.696 0.358 -21.156 1.00 0.01 H new ATOM 0 HA GLU A 109 5.317 0.264 -19.304 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.772 0.749 -21.718 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.644 -0.695 -22.196 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.390 -0.858 -20.149 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.033 -0.857 -21.865 1.00 0.01 H new ATOM 1703 N THR A 110 5.810 -2.101 -18.654 1.00 0.01 N ATOM 1704 CA THR A 110 6.235 -3.462 -18.212 1.00 0.00 C ATOM 1705 C THR A 110 5.070 -4.199 -17.545 1.00 0.01 C ATOM 1706 O THR A 110 4.166 -3.607 -16.988 1.00 0.01 O ATOM 1707 CB THR A 110 7.406 -3.353 -17.230 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.674 -4.633 -16.677 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.062 -2.376 -16.106 1.00 1.69 C ATOM 0 H THR A 110 5.081 -1.666 -18.088 1.00 0.01 H new ATOM 0 HA THR A 110 6.551 -4.026 -19.089 1.00 0.00 H new ATOM 0 HB THR A 110 8.285 -2.987 -17.761 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.258 -5.135 -17.283 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.902 -2.307 -15.414 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.858 -1.392 -16.529 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.181 -2.731 -15.572 1.00 1.69 H new ATOM 1717 N THR A 111 5.100 -5.501 -17.626 1.00 0.00 N ATOM 1718 CA THR A 111 4.020 -6.349 -17.028 1.00 0.01 C ATOM 1719 C THR A 111 4.558 -7.094 -15.804 1.00 0.01 C ATOM 1720 O THR A 111 3.920 -7.996 -15.299 1.00 0.01 O ATOM 1721 CB THR A 111 3.544 -7.363 -18.069 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.660 -8.089 -18.564 1.00 0.01 O ATOM 1723 CG2 THR A 111 2.856 -6.632 -19.223 1.00 0.01 C ATOM 0 H THR A 111 5.841 -6.026 -18.090 1.00 0.00 H new ATOM 0 HA THR A 111 3.190 -5.712 -16.722 1.00 0.01 H new ATOM 0 HB THR A 111 2.836 -8.052 -17.607 1.00 0.01 H new ATOM 0 HG1 THR A 111 5.417 -7.983 -17.951 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.518 -7.357 -19.963 1.00 0.01 H new ATOM 0 HG22 THR A 111 1.999 -6.076 -18.842 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.560 -5.941 -19.687 1.00 0.01 H new ATOM 1731 N GLU A 112 5.738 -6.748 -15.342 1.00 0.01 N ATOM 1732 CA GLU A 112 6.341 -7.465 -14.167 1.00 0.01 C ATOM 1733 C GLU A 112 6.617 -6.499 -13.005 1.00 0.01 C ATOM 1734 O GLU A 112 6.677 -5.296 -13.175 1.00 0.01 O ATOM 1735 CB GLU A 112 7.662 -8.113 -14.608 1.00 0.85 C ATOM 1736 CG GLU A 112 7.527 -8.641 -16.042 1.00 1.61 C ATOM 1737 CD GLU A 112 7.669 -7.483 -17.035 1.00 2.51 C ATOM 1738 OE1 GLU A 112 8.654 -6.770 -16.944 1.00 3.21 O ATOM 1739 OE2 GLU A 112 6.791 -7.329 -17.867 1.00 3.07 O ATOM 0 H GLU A 112 6.312 -5.998 -15.728 1.00 0.01 H new ATOM 0 HA GLU A 112 5.636 -8.221 -13.822 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.471 -7.385 -14.553 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.921 -8.929 -13.933 1.00 0.85 H new ATOM 0 HG2 GLU A 112 8.291 -9.394 -16.236 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.560 -9.127 -16.171 1.00 1.61 H new ATOM 1746 N ASP A 113 6.814 -7.035 -11.829 1.00 0.01 N ATOM 1747 CA ASP A 113 7.122 -6.183 -10.643 1.00 0.01 C ATOM 1748 C ASP A 113 8.490 -5.532 -10.870 1.00 0.00 C ATOM 1749 O ASP A 113 9.320 -6.058 -11.584 1.00 0.01 O ATOM 1750 CB ASP A 113 7.177 -7.063 -9.389 1.00 0.01 C ATOM 1751 CG ASP A 113 7.770 -8.425 -9.749 1.00 0.01 C ATOM 1752 OD1 ASP A 113 8.706 -8.454 -10.530 1.00 0.00 O ATOM 1753 OD2 ASP A 113 7.276 -9.418 -9.240 1.00 0.00 O ATOM 0 H ASP A 113 6.774 -8.036 -11.638 1.00 0.01 H new ATOM 0 HA ASP A 113 6.356 -5.419 -10.511 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.782 -6.582 -8.620 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.176 -7.188 -8.975 1.00 0.01 H new ATOM 1758 N CYS A 114 8.739 -4.405 -10.242 1.00 0.01 N ATOM 1759 CA CYS A 114 10.065 -3.723 -10.385 1.00 0.01 C ATOM 1760 C CYS A 114 10.697 -3.556 -8.984 1.00 0.01 C ATOM 1761 O CYS A 114 10.208 -2.760 -8.199 1.00 0.01 O ATOM 1762 CB CYS A 114 9.842 -2.334 -10.981 1.00 0.01 C ATOM 1763 SG CYS A 114 11.439 -1.518 -11.227 1.00 0.01 S ATOM 0 H CYS A 114 8.075 -3.926 -9.633 1.00 0.01 H new ATOM 0 HA CYS A 114 10.719 -4.313 -11.027 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.313 -2.415 -11.931 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.216 -1.738 -10.317 1.00 0.01 H new ATOM 0 HG CYS A 114 11.257 -0.382 -11.832 1.00 0.01 H new ATOM 1769 N PRO A 115 11.772 -4.261 -8.653 1.00 0.01 N ATOM 1770 CA PRO A 115 12.404 -4.096 -7.312 1.00 0.01 C ATOM 1771 C PRO A 115 13.234 -2.808 -7.231 1.00 0.01 C ATOM 1772 O PRO A 115 13.308 -2.177 -6.195 1.00 0.01 O ATOM 1773 CB PRO A 115 13.292 -5.348 -7.212 1.00 0.01 C ATOM 1774 CG PRO A 115 13.492 -5.897 -8.637 1.00 0.01 C ATOM 1775 CD PRO A 115 12.422 -5.265 -9.551 1.00 0.01 C ATOM 0 HA PRO A 115 11.682 -4.008 -6.500 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.252 -5.100 -6.760 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.824 -6.099 -6.575 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.492 -5.658 -9.000 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.403 -6.983 -8.642 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.866 -4.795 -10.429 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.709 -6.006 -9.912 1.00 0.01 H new ATOM 1783 N SER A 116 13.860 -2.417 -8.311 1.00 0.01 N ATOM 1784 CA SER A 116 14.689 -1.174 -8.299 1.00 0.02 C ATOM 1785 C SER A 116 14.478 -0.433 -9.616 1.00 0.01 C ATOM 1786 O SER A 116 14.917 -0.858 -10.668 1.00 0.00 O ATOM 1787 CB SER A 116 16.165 -1.546 -8.143 1.00 0.01 C ATOM 1788 OG SER A 116 16.382 -2.067 -6.839 1.00 0.01 O ATOM 0 H SER A 116 13.833 -2.907 -9.205 1.00 0.01 H new ATOM 0 HA SER A 116 14.395 -0.536 -7.466 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.447 -2.284 -8.894 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.792 -0.670 -8.306 1.00 0.01 H new ATOM 0 HG SER A 116 17.326 -2.308 -6.736 1.00 0.01 H new ATOM 1794 N ILE A 117 13.773 0.659 -9.557 1.00 0.01 N ATOM 1795 CA ILE A 117 13.475 1.442 -10.786 1.00 0.01 C ATOM 1796 C ILE A 117 14.765 1.993 -11.398 1.00 0.01 C ATOM 1797 O ILE A 117 14.905 2.038 -12.603 1.00 0.00 O ATOM 1798 CB ILE A 117 12.519 2.591 -10.416 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.089 2.047 -10.332 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.571 3.708 -11.467 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.190 3.078 -9.656 1.00 1.83 C ATOM 0 H ILE A 117 13.385 1.048 -8.698 1.00 0.01 H new ATOM 0 HA ILE A 117 13.005 0.797 -11.528 1.00 0.01 H new ATOM 0 HB ILE A 117 12.827 3.003 -9.455 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.715 1.822 -11.331 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.076 1.113 -9.769 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.887 4.507 -11.182 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.585 4.103 -11.528 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.278 3.308 -12.438 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.173 2.691 -9.597 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.560 3.281 -8.651 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.194 4.000 -10.237 1.00 1.83 H new ATOM 1813 N MET A 118 15.690 2.442 -10.594 1.00 0.02 N ATOM 1814 CA MET A 118 16.933 3.015 -11.175 1.00 0.01 C ATOM 1815 C MET A 118 17.728 1.923 -11.882 1.00 0.01 C ATOM 1816 O MET A 118 18.310 2.149 -12.918 1.00 0.02 O ATOM 1817 CB MET A 118 17.791 3.658 -10.081 1.00 0.24 C ATOM 1818 CG MET A 118 19.026 4.318 -10.707 1.00 0.63 C ATOM 1819 SD MET A 118 19.691 5.556 -9.564 1.00 1.20 S ATOM 1820 CE MET A 118 19.694 4.526 -8.075 1.00 1.34 C ATOM 0 H MET A 118 15.640 2.437 -9.575 1.00 0.02 H new ATOM 0 HA MET A 118 16.656 3.783 -11.897 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.207 4.401 -9.538 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.099 2.903 -9.357 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.783 3.565 -10.925 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.760 4.787 -11.654 1.00 0.63 H new ATOM 0 HE1 MET A 118 20.430 4.910 -7.369 1.00 1.34 H new ATOM 0 HE2 MET A 118 18.706 4.547 -7.616 1.00 1.34 H new ATOM 0 HE3 MET A 118 19.948 3.500 -8.343 1.00 1.34 H new ATOM 1830 N GLU A 119 17.761 0.738 -11.356 1.00 0.01 N ATOM 1831 CA GLU A 119 18.530 -0.332 -12.040 1.00 0.02 C ATOM 1832 C GLU A 119 17.813 -0.734 -13.331 1.00 0.02 C ATOM 1833 O GLU A 119 18.436 -1.036 -14.328 1.00 0.01 O ATOM 1834 CB GLU A 119 18.640 -1.548 -11.118 1.00 0.30 C ATOM 1835 CG GLU A 119 19.629 -2.553 -11.711 1.00 0.99 C ATOM 1836 CD GLU A 119 19.664 -3.811 -10.842 1.00 1.69 C ATOM 1837 OE1 GLU A 119 18.607 -4.240 -10.410 1.00 2.07 O ATOM 1838 OE2 GLU A 119 20.749 -4.326 -10.623 1.00 2.11 O ATOM 0 H GLU A 119 17.295 0.463 -10.491 1.00 0.01 H new ATOM 0 HA GLU A 119 19.528 0.035 -12.280 1.00 0.02 H new ATOM 0 HB2 GLU A 119 18.972 -1.237 -10.127 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.662 -2.014 -10.995 1.00 0.30 H new ATOM 0 HG2 GLU A 119 19.336 -2.810 -12.729 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.623 -2.110 -11.768 1.00 0.99 H new ATOM 1845 N GLN A 120 16.508 -0.795 -13.301 1.00 0.00 N ATOM 1846 CA GLN A 120 15.751 -1.241 -14.507 1.00 0.01 C ATOM 1847 C GLN A 120 15.588 -0.123 -15.541 1.00 0.01 C ATOM 1848 O GLN A 120 15.757 -0.342 -16.724 1.00 0.01 O ATOM 1849 CB GLN A 120 14.363 -1.717 -14.072 1.00 0.52 C ATOM 1850 CG GLN A 120 13.700 -2.482 -15.218 1.00 1.07 C ATOM 1851 CD GLN A 120 12.267 -2.851 -14.823 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.419 -3.035 -15.672 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.960 -2.966 -13.558 1.00 2.08 N ATOM 0 H GLN A 120 15.933 -0.555 -12.493 1.00 0.00 H new ATOM 0 HA GLN A 120 16.318 -2.046 -14.975 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.446 -2.357 -13.194 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.748 -0.864 -13.787 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.694 -1.872 -16.121 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.269 -3.383 -15.446 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.672 -2.812 -12.844 1.00 2.08 H new ATOM 0 HE22 GLN A 120 11.008 -3.210 -13.284 1.00 2.08 H new ATOM 1862 N PHE A 121 15.185 1.051 -15.113 1.00 0.02 N ATOM 1863 CA PHE A 121 14.916 2.165 -16.085 1.00 0.01 C ATOM 1864 C PHE A 121 15.933 3.303 -15.972 1.00 0.01 C ATOM 1865 O PHE A 121 15.866 4.269 -16.705 1.00 0.01 O ATOM 1866 CB PHE A 121 13.511 2.708 -15.816 1.00 0.01 C ATOM 1867 CG PHE A 121 12.510 1.586 -15.980 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.290 1.031 -17.247 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.804 1.100 -14.872 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.367 -0.009 -17.404 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.881 0.059 -15.030 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.662 -0.495 -16.296 1.00 0.01 C ATOM 0 H PHE A 121 15.030 1.288 -14.133 1.00 0.02 H new ATOM 0 HA PHE A 121 15.000 1.763 -17.095 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.453 3.120 -14.809 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.283 3.520 -16.506 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.833 1.406 -18.102 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.972 1.529 -13.895 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.198 -0.437 -18.381 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.338 -0.316 -14.175 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.949 -1.297 -16.419 1.00 0.01 H new ATOM 1882 N HIS A 122 16.872 3.214 -15.072 1.00 0.01 N ATOM 1883 CA HIS A 122 17.874 4.310 -14.930 1.00 0.01 C ATOM 1884 C HIS A 122 17.166 5.611 -14.544 1.00 0.01 C ATOM 1885 O HIS A 122 17.571 6.687 -14.941 1.00 0.02 O ATOM 1886 CB HIS A 122 18.628 4.481 -16.254 1.00 0.01 C ATOM 1887 CG HIS A 122 18.854 3.132 -16.876 1.00 0.01 C ATOM 1888 ND1 HIS A 122 19.855 2.276 -16.445 1.00 0.01 N ATOM 1889 CD2 HIS A 122 18.213 2.476 -17.897 1.00 0.01 C ATOM 1890 CE1 HIS A 122 19.787 1.162 -17.196 1.00 0.00 C ATOM 1891 NE2 HIS A 122 18.803 1.232 -18.097 1.00 0.01 N ATOM 0 H HIS A 122 16.990 2.431 -14.429 1.00 0.01 H new ATOM 0 HA HIS A 122 18.587 4.058 -14.145 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.056 5.115 -16.932 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.582 4.978 -16.080 1.00 0.01 H new ATOM 0 HD2 HIS A 122 17.378 2.866 -18.460 1.00 0.01 H new ATOM 0 HE1 HIS A 122 20.447 0.315 -17.084 1.00 0.00 H new ATOM 0 HE2 HIS A 122 18.541 0.525 -18.784 1.00 0.01 H new ATOM 1899 N LEU A 123 16.110 5.519 -13.765 1.00 0.01 N ATOM 1900 CA LEU A 123 15.361 6.748 -13.333 1.00 0.01 C ATOM 1901 C LEU A 123 15.493 6.912 -11.816 1.00 0.02 C ATOM 1902 O LEU A 123 15.374 5.963 -11.067 1.00 0.01 O ATOM 1903 CB LEU A 123 13.883 6.601 -13.705 1.00 0.01 C ATOM 1904 CG LEU A 123 13.758 6.195 -15.175 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.278 6.040 -15.533 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.394 7.270 -16.070 1.00 0.01 C ATOM 0 H LEU A 123 15.733 4.641 -13.408 1.00 0.01 H new ATOM 0 HA LEU A 123 15.774 7.624 -13.833 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.411 5.852 -13.070 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.359 7.541 -13.532 1.00 0.01 H new ATOM 0 HG LEU A 123 14.275 5.248 -15.333 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.185 5.751 -16.580 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.830 5.272 -14.903 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.763 6.987 -15.371 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.302 6.975 -17.115 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.884 8.221 -15.915 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.448 7.378 -15.815 1.00 0.01 H new ATOM 1918 N ARG A 124 15.756 8.108 -11.359 1.00 0.01 N ATOM 1919 CA ARG A 124 15.916 8.335 -9.890 1.00 0.00 C ATOM 1920 C ARG A 124 14.568 8.672 -9.242 1.00 0.01 C ATOM 1921 O ARG A 124 14.398 8.539 -8.046 1.00 0.01 O ATOM 1922 CB ARG A 124 16.889 9.494 -9.661 1.00 1.67 C ATOM 1923 CG ARG A 124 16.459 10.697 -10.503 1.00 1.98 C ATOM 1924 CD ARG A 124 17.258 11.931 -10.078 1.00 2.92 C ATOM 1925 NE ARG A 124 18.705 11.586 -10.015 1.00 3.54 N ATOM 1926 CZ ARG A 124 19.600 12.534 -9.968 1.00 4.57 C ATOM 1927 NH1 ARG A 124 19.225 13.785 -9.973 1.00 5.25 N ATOM 1928 NH2 ARG A 124 20.868 12.233 -9.916 1.00 5.32 N ATOM 0 H ARG A 124 15.867 8.939 -11.939 1.00 0.01 H new ATOM 0 HA ARG A 124 16.303 7.423 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.907 9.764 -8.605 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.901 9.192 -9.930 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.623 10.491 -11.561 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.392 10.880 -10.376 1.00 1.98 H new ATOM 0 HD2 ARG A 124 17.097 12.744 -10.786 1.00 2.92 H new ATOM 0 HD3 ARG A 124 16.914 12.283 -9.105 1.00 2.92 H new ATOM 0 HE ARG A 124 18.997 10.609 -10.009 1.00 3.54 H new ATOM 0 HH11 ARG A 124 18.233 14.020 -10.014 1.00 5.25 H new ATOM 0 HH12 ARG A 124 19.924 14.527 -9.936 1.00 5.25 H new ATOM 0 HH21 ARG A 124 21.160 11.256 -9.912 1.00 5.32 H new ATOM 0 HH22 ARG A 124 21.567 12.975 -9.879 1.00 5.32 H new ATOM 1942 N GLU A 125 13.612 9.128 -10.010 1.00 0.01 N ATOM 1943 CA GLU A 125 12.286 9.495 -9.423 1.00 0.01 C ATOM 1944 C GLU A 125 11.174 9.239 -10.443 1.00 0.01 C ATOM 1945 O GLU A 125 11.426 9.101 -11.622 1.00 0.01 O ATOM 1946 CB GLU A 125 12.286 10.982 -9.064 1.00 0.01 C ATOM 1947 CG GLU A 125 13.236 11.228 -7.888 1.00 0.01 C ATOM 1948 CD GLU A 125 13.008 12.636 -7.338 1.00 0.02 C ATOM 1949 OE1 GLU A 125 13.083 13.575 -8.114 1.00 0.02 O ATOM 1950 OE2 GLU A 125 12.766 12.754 -6.147 1.00 0.01 O ATOM 0 H GLU A 125 13.691 9.262 -11.018 1.00 0.01 H new ATOM 0 HA GLU A 125 12.113 8.891 -8.533 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.596 11.574 -9.925 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.278 11.303 -8.803 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.064 10.488 -7.106 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.271 11.115 -8.212 1.00 0.01 H new ATOM 1957 N ILE A 126 9.939 9.207 -9.999 1.00 0.01 N ATOM 1958 CA ILE A 126 8.787 8.997 -10.934 1.00 0.01 C ATOM 1959 C ILE A 126 7.778 10.113 -10.664 1.00 0.01 C ATOM 1960 O ILE A 126 7.379 10.322 -9.535 1.00 0.01 O ATOM 1961 CB ILE A 126 8.121 7.642 -10.640 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.152 6.506 -10.763 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.964 7.396 -11.617 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.764 6.446 -12.176 1.00 1.70 C ATOM 0 H ILE A 126 9.678 9.319 -9.019 1.00 0.01 H new ATOM 0 HA ILE A 126 9.126 9.008 -11.970 1.00 0.01 H new ATOM 0 HB ILE A 126 7.730 7.662 -9.623 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.944 6.652 -10.029 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.674 5.554 -10.532 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.501 6.434 -11.398 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.223 8.188 -11.510 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.345 7.391 -12.638 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.487 5.632 -12.225 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.974 6.274 -12.908 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.264 7.389 -12.396 1.00 1.70 H new ATOM 1976 N HIS A 127 7.398 10.864 -11.673 1.00 0.01 N ATOM 1977 CA HIS A 127 6.454 12.007 -11.443 1.00 0.01 C ATOM 1978 C HIS A 127 5.065 11.739 -12.024 1.00 0.01 C ATOM 1979 O HIS A 127 4.114 12.427 -11.706 1.00 0.01 O ATOM 1980 CB HIS A 127 7.031 13.277 -12.073 1.00 0.02 C ATOM 1981 CG HIS A 127 8.492 13.383 -11.730 1.00 0.01 C ATOM 1982 ND1 HIS A 127 8.980 14.349 -10.864 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.585 12.651 -12.128 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.310 14.174 -10.769 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.731 13.152 -11.520 1.00 0.02 N ATOM 0 H HIS A 127 7.698 10.736 -12.639 1.00 0.01 H new ATOM 0 HA HIS A 127 6.342 12.129 -10.366 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.901 13.252 -13.155 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.495 14.153 -11.708 1.00 0.02 H new ATOM 0 HD2 HIS A 127 9.558 11.814 -12.810 1.00 0.01 H new ATOM 0 HE1 HIS A 127 10.959 14.785 -10.160 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.687 12.812 -11.625 1.00 0.02 H new ATOM 1993 N SER A 128 4.920 10.736 -12.846 1.00 0.01 N ATOM 1994 CA SER A 128 3.575 10.424 -13.405 1.00 0.01 C ATOM 1995 C SER A 128 3.564 8.978 -13.902 1.00 0.01 C ATOM 1996 O SER A 128 4.585 8.430 -14.272 1.00 0.01 O ATOM 1997 CB SER A 128 3.276 11.366 -14.571 1.00 0.01 C ATOM 1998 OG SER A 128 2.307 10.766 -15.421 1.00 0.01 O ATOM 0 H SER A 128 5.673 10.121 -13.154 1.00 0.01 H new ATOM 0 HA SER A 128 2.817 10.554 -12.633 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.907 12.321 -14.197 1.00 0.01 H new ATOM 0 HB3 SER A 128 4.189 11.573 -15.130 1.00 0.01 H new ATOM 0 HG SER A 128 1.525 11.352 -15.490 1.00 0.01 H new ATOM 2004 N CYS A 129 2.420 8.354 -13.904 1.00 0.01 N ATOM 2005 CA CYS A 129 2.329 6.944 -14.368 1.00 0.01 C ATOM 2006 C CYS A 129 0.852 6.598 -14.553 1.00 0.00 C ATOM 2007 O CYS A 129 0.013 7.076 -13.816 1.00 0.01 O ATOM 2008 CB CYS A 129 2.952 6.014 -13.325 1.00 0.69 C ATOM 2009 SG CYS A 129 1.951 6.036 -11.818 1.00 1.22 S ATOM 0 H CYS A 129 1.537 8.765 -13.601 1.00 0.01 H new ATOM 0 HA CYS A 129 2.866 6.821 -15.309 1.00 0.01 H new ATOM 0 HB2 CYS A 129 3.013 4.999 -13.718 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.971 6.332 -13.102 1.00 0.69 H new ATOM 0 HG CYS A 129 0.783 6.542 -12.080 1.00 1.22 H new ATOM 2015 N LYS A 130 0.519 5.785 -15.530 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.921 5.429 -15.755 1.00 0.01 C ATOM 2017 C LYS A 130 -1.096 3.913 -15.660 1.00 0.01 C ATOM 2018 O LYS A 130 -0.760 3.166 -16.554 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.348 5.916 -17.147 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.738 5.374 -17.493 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.263 6.078 -18.747 1.00 0.29 C ATOM 2022 CE LYS A 130 -4.523 5.368 -19.244 1.00 0.33 C ATOM 2023 NZ LYS A 130 -4.993 6.019 -20.498 1.00 1.41 N ATOM 0 H LYS A 130 1.178 5.354 -16.178 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.541 5.906 -14.996 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.358 7.006 -17.172 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.625 5.587 -17.893 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -2.689 4.298 -17.661 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.421 5.536 -16.659 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -3.485 7.122 -18.524 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.500 6.074 -19.525 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -4.313 4.314 -19.425 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -5.303 5.412 -18.484 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -5.850 5.538 -20.839 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -5.208 7.019 -20.310 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -4.249 5.955 -21.222 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.649 3.476 -14.566 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.909 2.025 -14.330 1.00 0.01 C ATOM 2039 C VAL A 131 -3.415 1.799 -14.444 1.00 0.01 C ATOM 2040 O VAL A 131 -4.186 2.498 -13.816 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.430 1.627 -12.914 1.00 0.01 C ATOM 2042 CG1 VAL A 131 0.016 1.134 -12.958 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.507 2.842 -11.987 1.00 0.01 C ATOM 0 H VAL A 131 -1.942 4.082 -13.800 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.372 1.419 -15.060 1.00 0.01 H new ATOM 0 HB VAL A 131 -2.072 0.828 -12.543 1.00 0.01 H new ATOM 0 HG11 VAL A 131 0.337 0.858 -11.954 1.00 0.01 H new ATOM 0 HG12 VAL A 131 0.084 0.265 -13.612 1.00 0.01 H new ATOM 0 HG13 VAL A 131 0.659 1.927 -13.340 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.169 2.561 -10.990 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -0.870 3.637 -12.375 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -2.537 3.195 -11.935 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.338 -1.438 -7.289 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.865 -1.357 -7.571 1.00 0.01 C ATOM 2107 C TRP A 136 -0.196 -0.733 -6.337 1.00 0.01 C ATOM 2108 O TRP A 136 -0.746 0.171 -5.742 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.618 -0.468 -8.802 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.761 -1.266 -10.061 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.891 -1.357 -10.800 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.241 -2.071 -10.744 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.645 -2.167 -11.894 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.345 -2.632 -11.904 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.589 -2.367 -10.474 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.379 -3.455 -12.765 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.321 -3.197 -11.339 1.00 0.01 C ATOM 2118 CH2 TRP A 136 1.718 -3.738 -12.482 1.00 0.01 C ATOM 0 HA TRP A 136 -0.456 -2.347 -7.774 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.326 0.361 -8.807 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.381 -0.034 -8.751 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.831 -0.876 -10.573 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.339 -2.393 -12.606 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.064 -1.954 -9.597 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -0.091 -3.871 -13.644 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.355 -3.420 -11.122 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.288 -4.373 -13.144 1.00 0.01 H new ATOM 2129 N ILE A 137 0.987 -1.172 -5.942 1.00 0.01 N ATOM 2130 CA ILE A 137 1.656 -0.555 -4.742 1.00 0.00 C ATOM 2131 C ILE A 137 2.981 0.081 -5.159 1.00 0.01 C ATOM 2132 O ILE A 137 3.786 -0.524 -5.836 1.00 0.01 O ATOM 2133 CB ILE A 137 1.988 -1.632 -3.699 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.770 -2.509 -3.395 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.455 -0.957 -2.407 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.250 -3.788 -2.692 1.00 1.69 C ATOM 0 H ILE A 137 1.511 -1.922 -6.394 1.00 0.01 H new ATOM 0 HA ILE A 137 0.974 0.186 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 137 2.776 -2.267 -4.104 1.00 0.60 H new ATOM 0 HG12 ILE A 137 0.065 -1.971 -2.761 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.244 -2.758 -4.317 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.692 -1.718 -1.664 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.343 -0.359 -2.610 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.663 -0.312 -2.026 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.393 -4.424 -2.469 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.940 -4.324 -3.344 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.758 -3.525 -1.764 1.00 1.69 H new ATOM 2148 N PHE A 138 3.221 1.286 -4.717 1.00 0.01 N ATOM 2149 CA PHE A 138 4.506 1.989 -5.026 1.00 0.01 C ATOM 2150 C PHE A 138 5.281 2.076 -3.703 1.00 0.01 C ATOM 2151 O PHE A 138 4.693 2.305 -2.666 1.00 0.00 O ATOM 2152 CB PHE A 138 4.200 3.409 -5.553 1.00 1.11 C ATOM 2153 CG PHE A 138 4.094 3.437 -7.070 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.630 2.327 -7.792 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.463 4.601 -7.754 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.540 2.385 -9.188 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.371 4.659 -9.150 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.911 3.550 -9.867 1.00 2.49 C ATOM 0 H PHE A 138 2.571 1.825 -4.145 1.00 0.01 H new ATOM 0 HA PHE A 138 5.082 1.460 -5.785 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.267 3.766 -5.117 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.985 4.093 -5.231 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.342 1.426 -7.270 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.820 5.458 -7.203 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.184 1.529 -9.741 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.655 5.560 -9.673 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.842 3.593 -10.944 1.00 2.49 H new ATOM 2168 N TYR A 139 6.586 1.903 -3.719 1.00 0.01 N ATOM 2169 CA TYR A 139 7.385 1.984 -2.448 1.00 0.01 C ATOM 2170 C TYR A 139 8.467 3.055 -2.591 1.00 0.01 C ATOM 2171 O TYR A 139 9.027 3.253 -3.656 1.00 0.01 O ATOM 2172 CB TYR A 139 8.043 0.633 -2.162 1.00 0.01 C ATOM 2173 CG TYR A 139 7.015 -0.466 -2.294 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.757 -1.031 -3.545 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.327 -0.921 -1.165 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.810 -2.053 -3.670 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.378 -1.942 -1.288 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.119 -2.509 -2.542 1.00 0.02 C ATOM 2179 OH TYR A 139 4.185 -3.517 -2.664 1.00 0.00 O ATOM 0 H TYR A 139 7.132 1.709 -4.558 1.00 0.01 H new ATOM 0 HA TYR A 139 6.720 2.243 -1.624 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.865 0.462 -2.857 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.469 0.629 -1.159 1.00 0.01 H new ATOM 0 HD1 TYR A 139 7.289 -0.679 -4.416 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.528 -0.484 -0.198 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.612 -2.490 -4.638 1.00 0.01 H new ATOM 0 HE2 TYR A 139 4.846 -2.293 -0.416 1.00 0.02 H new ATOM 0 HH TYR A 139 3.976 -3.878 -1.777 1.00 0.00 H new ATOM 2189 N GLU A 140 8.729 3.778 -1.532 1.00 0.01 N ATOM 2190 CA GLU A 140 9.721 4.889 -1.591 1.00 0.02 C ATOM 2191 C GLU A 140 11.159 4.363 -1.640 1.00 0.01 C ATOM 2192 O GLU A 140 12.018 5.003 -2.212 1.00 0.01 O ATOM 2193 CB GLU A 140 9.545 5.739 -0.331 1.00 0.01 C ATOM 2194 CG GLU A 140 10.262 7.078 -0.513 1.00 0.02 C ATOM 2195 CD GLU A 140 10.074 7.933 0.743 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.943 8.291 1.026 1.00 0.01 O ATOM 2197 OE2 GLU A 140 11.063 8.215 1.398 1.00 0.02 O ATOM 0 H GLU A 140 8.292 3.643 -0.620 1.00 0.01 H new ATOM 0 HA GLU A 140 9.549 5.470 -2.497 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.485 5.905 -0.137 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.949 5.213 0.534 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.323 6.912 -0.697 1.00 0.02 H new ATOM 0 HG3 GLU A 140 9.865 7.600 -1.384 1.00 0.02 H new ATOM 2204 N LEU A 141 11.451 3.224 -1.046 1.00 0.01 N ATOM 2205 CA LEU A 141 12.858 2.698 -1.067 1.00 0.02 C ATOM 2206 C LEU A 141 12.883 1.368 -1.851 1.00 0.01 C ATOM 2207 O LEU A 141 11.879 0.683 -1.936 1.00 0.01 O ATOM 2208 CB LEU A 141 13.307 2.456 0.390 1.00 0.57 C ATOM 2209 CG LEU A 141 13.848 3.762 1.009 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.759 3.686 2.537 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.316 3.981 0.608 1.00 1.24 C ATOM 0 H LEU A 141 10.778 2.639 -0.550 1.00 0.01 H new ATOM 0 HA LEU A 141 13.529 3.410 -1.547 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.468 2.087 0.980 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.078 1.686 0.417 1.00 0.57 H new ATOM 0 HG LEU A 141 13.246 4.592 0.640 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.142 4.610 2.970 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.719 3.549 2.835 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.352 2.844 2.895 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.681 4.907 1.054 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.919 3.145 0.963 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.391 4.047 -0.477 1.00 1.24 H new ATOM 2223 N PRO A 142 14.018 0.998 -2.420 1.00 0.01 N ATOM 2224 CA PRO A 142 14.116 -0.270 -3.201 1.00 0.01 C ATOM 2225 C PRO A 142 13.701 -1.506 -2.391 1.00 0.01 C ATOM 2226 O PRO A 142 13.575 -1.481 -1.184 1.00 0.01 O ATOM 2227 CB PRO A 142 15.613 -0.325 -3.582 1.00 0.01 C ATOM 2228 CG PRO A 142 16.335 0.836 -2.872 1.00 0.02 C ATOM 2229 CD PRO A 142 15.272 1.806 -2.337 1.00 0.01 C ATOM 0 HA PRO A 142 13.442 -0.279 -4.058 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.046 -1.280 -3.284 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.733 -0.243 -4.662 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.950 0.458 -2.055 1.00 0.02 H new ATOM 0 HG3 PRO A 142 17.003 1.348 -3.564 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.486 2.117 -1.315 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.211 2.712 -2.940 1.00 0.01 H new ATOM 2237 N ASN A 143 13.519 -2.591 -3.090 1.00 0.01 N ATOM 2238 CA ASN A 143 13.144 -3.879 -2.447 1.00 0.01 C ATOM 2239 C ASN A 143 11.828 -3.758 -1.676 1.00 0.01 C ATOM 2240 O ASN A 143 11.595 -4.450 -0.705 1.00 0.01 O ATOM 2241 CB ASN A 143 14.254 -4.306 -1.484 1.00 0.23 C ATOM 2242 CG ASN A 143 14.023 -5.755 -1.052 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.753 -6.609 -1.873 1.00 0.75 O ATOM 2244 ND2 ASN A 143 14.117 -6.072 0.210 1.00 0.56 N ATOM 0 H ASN A 143 13.617 -2.639 -4.104 1.00 0.01 H new ATOM 0 HA ASN A 143 13.013 -4.624 -3.232 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.226 -4.210 -1.967 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.265 -3.652 -0.612 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.964 -7.036 0.506 1.00 0.56 H new ATOM 0 HD22 ASN A 143 14.344 -5.356 0.900 1.00 0.56 H new ATOM 2251 N TYR A 144 10.949 -2.908 -2.135 1.00 0.01 N ATOM 2252 CA TYR A 144 9.621 -2.757 -1.478 1.00 0.02 C ATOM 2253 C TYR A 144 9.771 -2.373 -0.001 1.00 0.01 C ATOM 2254 O TYR A 144 9.200 -3.000 0.870 1.00 0.01 O ATOM 2255 CB TYR A 144 8.849 -4.081 -1.600 1.00 0.01 C ATOM 2256 CG TYR A 144 9.224 -4.753 -2.906 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.080 -4.057 -4.114 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.726 -6.062 -2.909 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.434 -4.670 -5.322 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.082 -6.674 -4.117 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.936 -5.977 -5.324 1.00 0.01 C ATOM 2262 OH TYR A 144 10.286 -6.580 -6.516 1.00 0.01 O ATOM 0 H TYR A 144 11.097 -2.306 -2.945 1.00 0.01 H new ATOM 0 HA TYR A 144 9.073 -1.957 -1.976 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.086 -4.733 -0.759 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.775 -3.895 -1.567 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.696 -3.048 -4.113 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.838 -6.599 -1.979 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.320 -4.134 -6.253 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.469 -7.682 -4.119 1.00 0.01 H new ATOM 0 HH TYR A 144 10.617 -7.485 -6.340 1.00 0.01 H new ATOM 2272 N ARG A 145 10.534 -1.342 0.283 1.00 0.02 N ATOM 2273 CA ARG A 145 10.723 -0.901 1.709 1.00 0.01 C ATOM 2274 C ARG A 145 10.392 0.591 1.837 1.00 0.01 C ATOM 2275 O ARG A 145 10.285 1.299 0.855 1.00 0.01 O ATOM 2276 CB ARG A 145 12.189 -1.137 2.124 1.00 0.01 C ATOM 2277 CG ARG A 145 12.386 -2.599 2.581 1.00 0.02 C ATOM 2278 CD ARG A 145 12.099 -2.729 4.089 1.00 0.01 C ATOM 2279 NE ARG A 145 11.091 -1.713 4.501 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.475 -1.831 5.646 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.748 -2.840 6.430 1.00 0.02 N ATOM 2282 NH2 ARG A 145 9.590 -0.943 6.007 1.00 0.01 N ATOM 0 H ARG A 145 11.035 -0.785 -0.409 1.00 0.02 H new ATOM 0 HA ARG A 145 10.060 -1.474 2.357 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.851 -0.918 1.286 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.460 -0.456 2.931 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.722 -3.256 2.019 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.406 -2.920 2.369 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.732 -3.730 4.313 1.00 0.01 H new ATOM 0 HD3 ARG A 145 13.019 -2.592 4.657 1.00 0.01 H new ATOM 0 HE ARG A 145 10.882 -0.925 3.888 1.00 0.01 H new ATOM 0 HH11 ARG A 145 11.441 -3.533 6.147 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.268 -2.935 7.325 1.00 0.02 H new ATOM 0 HH21 ARG A 145 9.379 -0.155 5.394 1.00 0.01 H new ATOM 0 HH22 ARG A 145 9.109 -1.036 6.902 1.00 0.01 H new ATOM 2296 N GLY A 146 10.214 1.070 3.044 1.00 0.01 N ATOM 2297 CA GLY A 146 9.886 2.513 3.247 1.00 0.02 C ATOM 2298 C GLY A 146 8.371 2.722 3.188 1.00 0.01 C ATOM 2299 O GLY A 146 7.597 1.788 3.256 1.00 0.02 O ATOM 0 H GLY A 146 10.282 0.520 3.900 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.270 2.849 4.210 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.374 3.116 2.481 1.00 0.02 H new ATOM 2303 N ARG A 147 7.949 3.950 3.057 1.00 0.01 N ATOM 2304 CA ARG A 147 6.488 4.237 2.990 1.00 0.01 C ATOM 2305 C ARG A 147 5.941 3.706 1.668 1.00 0.01 C ATOM 2306 O ARG A 147 6.591 3.755 0.640 1.00 0.01 O ATOM 2307 CB ARG A 147 6.261 5.749 3.068 1.00 0.01 C ATOM 2308 CG ARG A 147 4.776 6.052 2.850 1.00 0.01 C ATOM 2309 CD ARG A 147 4.469 7.482 3.299 1.00 0.01 C ATOM 2310 NE ARG A 147 3.087 7.843 2.875 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.492 8.879 3.397 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.108 9.604 4.289 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.279 9.188 3.025 1.00 0.02 N ATOM 0 H ARG A 147 8.554 4.768 2.993 1.00 0.01 H new ATOM 0 HA ARG A 147 5.976 3.754 3.822 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.582 6.126 4.039 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.862 6.257 2.314 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.521 5.929 1.798 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.165 5.345 3.411 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.563 7.564 4.382 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.189 8.175 2.863 1.00 0.01 H new ATOM 0 HE ARG A 147 2.606 7.279 2.175 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.055 9.361 4.578 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.642 10.415 4.697 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.799 8.619 2.327 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.811 9.998 3.432 1.00 0.02 H new ATOM 2327 N GLN A 148 4.748 3.166 1.707 1.00 0.01 N ATOM 2328 CA GLN A 148 4.123 2.579 0.484 1.00 0.01 C ATOM 2329 C GLN A 148 2.895 3.406 0.091 1.00 0.01 C ATOM 2330 O GLN A 148 2.215 3.961 0.932 1.00 0.01 O ATOM 2331 CB GLN A 148 3.683 1.142 0.825 1.00 0.00 C ATOM 2332 CG GLN A 148 4.660 0.522 1.832 1.00 0.02 C ATOM 2333 CD GLN A 148 4.500 -1.000 1.833 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.417 -1.508 1.620 1.00 0.02 O ATOM 2335 NE2 GLN A 148 5.541 -1.752 2.066 1.00 0.01 N ATOM 0 H GLN A 148 4.173 3.107 2.548 1.00 0.01 H new ATOM 0 HA GLN A 148 4.831 2.579 -0.345 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.675 1.150 1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.649 0.538 -0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.684 0.790 1.572 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.470 0.918 2.829 1.00 0.02 H new ATOM 0 HE21 GLN A 148 6.450 -1.324 2.245 1.00 0.01 H new ATOM 0 HE22 GLN A 148 5.446 -2.768 2.069 1.00 0.01 H new ATOM 2344 N TYR A 149 2.602 3.473 -1.181 1.00 0.01 N ATOM 2345 CA TYR A 149 1.411 4.240 -1.663 1.00 0.01 C ATOM 2346 C TYR A 149 0.513 3.300 -2.467 1.00 0.01 C ATOM 2347 O TYR A 149 0.989 2.545 -3.292 1.00 0.01 O ATOM 2348 CB TYR A 149 1.868 5.404 -2.543 1.00 0.01 C ATOM 2349 CG TYR A 149 3.022 6.116 -1.877 1.00 0.01 C ATOM 2350 CD1 TYR A 149 4.324 5.621 -2.016 1.00 0.01 C ATOM 2351 CD2 TYR A 149 2.789 7.271 -1.123 1.00 0.01 C ATOM 2352 CE1 TYR A 149 5.394 6.282 -1.400 1.00 0.01 C ATOM 2353 CE2 TYR A 149 3.858 7.932 -0.507 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.160 7.438 -0.645 1.00 0.01 C ATOM 2355 OH TYR A 149 6.213 8.092 -0.037 1.00 0.01 O ATOM 0 H TYR A 149 3.144 3.023 -1.918 1.00 0.01 H new ATOM 0 HA TYR A 149 0.858 4.639 -0.813 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.171 5.036 -3.523 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.043 6.098 -2.704 1.00 0.01 H new ATOM 0 HD1 TYR A 149 4.503 4.729 -2.598 1.00 0.01 H new ATOM 0 HD2 TYR A 149 1.784 7.653 -1.016 1.00 0.01 H new ATOM 0 HE1 TYR A 149 6.399 5.901 -1.507 1.00 0.01 H new ATOM 0 HE2 TYR A 149 3.678 8.824 0.075 1.00 0.01 H new ATOM 0 HH TYR A 149 6.974 7.480 0.047 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.773 3.313 -2.233 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.675 2.391 -2.987 1.00 0.01 C ATOM 2367 C LEU A 150 -2.258 3.131 -4.190 1.00 0.01 C ATOM 2368 O LEU A 150 -2.939 4.128 -4.051 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.803 1.944 -2.045 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.667 0.857 -2.721 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.025 -0.524 -2.532 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.066 0.841 -2.095 1.00 0.01 C ATOM 0 H LEU A 150 -1.237 3.919 -1.556 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.125 1.520 -3.342 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.380 1.557 -1.118 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.425 2.799 -1.779 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.738 1.084 -3.785 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.644 -1.282 -3.013 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.032 -0.528 -2.981 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.943 -0.745 -1.468 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.671 0.072 -2.576 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.985 0.626 -1.030 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.538 1.814 -2.234 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.007 2.632 -5.371 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.552 3.275 -6.603 1.00 0.01 C ATOM 2386 C LEU A 151 -3.809 2.510 -7.029 1.00 0.01 C ATOM 2387 O LEU A 151 -3.853 1.293 -6.978 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.495 3.218 -7.719 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.529 4.399 -7.582 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.071 4.409 -6.174 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.595 4.260 -8.612 1.00 0.01 C ATOM 0 H LEU A 151 -1.443 1.799 -5.537 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.802 4.318 -6.411 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -0.945 2.279 -7.663 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.981 3.246 -8.694 1.00 0.01 H new ATOM 0 HG LEU A 151 -1.069 5.330 -7.754 1.00 0.01 H new ATOM 0 HD11 LEU A 151 0.758 5.250 -6.077 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.728 4.507 -5.439 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.610 3.478 -6.002 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.283 5.100 -8.515 1.00 0.01 H new ATOM 0 HD22 LEU A 151 1.133 3.328 -8.439 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.170 4.253 -9.616 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.834 3.215 -7.441 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.106 2.548 -7.865 1.00 0.01 C ATOM 2405 C ASP A 152 -6.256 2.646 -9.385 1.00 0.00 C ATOM 2406 O ASP A 152 -5.368 3.098 -10.080 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.286 3.251 -7.193 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.180 3.087 -5.676 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.303 3.703 -5.093 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -7.976 2.347 -5.121 1.00 1.57 O ATOM 0 H ASP A 152 -4.844 4.233 -7.502 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.084 1.498 -7.572 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.291 4.309 -7.456 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.226 2.830 -7.550 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.376 2.222 -9.905 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.588 2.287 -11.380 1.00 0.01 C ATOM 2417 C LYS A 153 -7.784 3.743 -11.806 1.00 0.01 C ATOM 2418 O LYS A 153 -8.616 4.047 -12.639 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.832 1.478 -11.757 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.995 1.877 -10.847 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.279 1.193 -11.326 1.00 0.72 C ATOM 2422 CE LYS A 153 -12.481 1.783 -10.584 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.700 3.189 -11.025 1.00 1.84 N ATOM 0 H LYS A 153 -8.154 1.833 -9.372 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.716 1.872 -11.887 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.094 1.658 -12.800 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.629 0.412 -11.659 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.780 1.590 -9.818 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.122 2.960 -10.856 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.398 1.332 -12.401 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.220 0.119 -11.148 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -13.372 1.186 -10.782 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -12.308 1.751 -9.508 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.688 3.459 -10.847 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -12.067 3.822 -10.495 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.497 3.269 -12.042 1.00 1.84 H new ATOM 2437 N LYS A 154 -7.022 4.646 -11.240 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.148 6.095 -11.599 1.00 0.01 C ATOM 2439 C LYS A 154 -5.887 6.546 -12.335 1.00 0.01 C ATOM 2440 O LYS A 154 -4.888 5.854 -12.350 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.302 6.921 -10.319 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.587 6.516 -9.596 1.00 0.48 C ATOM 2443 CD LYS A 154 -8.736 7.346 -8.318 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.026 6.952 -7.596 1.00 1.44 C ATOM 2445 NZ LYS A 154 -9.841 5.628 -6.937 1.00 2.28 N ATOM 0 H LYS A 154 -6.311 4.440 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.019 6.238 -12.239 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.442 6.764 -9.668 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.329 7.983 -10.561 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.448 6.672 -10.246 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.560 5.454 -9.352 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.878 7.184 -7.665 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -8.754 8.408 -8.562 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.285 7.707 -6.854 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -10.853 6.905 -8.305 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -10.648 5.436 -6.310 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -9.782 4.885 -7.662 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -8.964 5.638 -6.379 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.923 7.708 -12.937 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.725 8.225 -13.672 1.00 0.01 C ATOM 2461 C GLU A 155 -4.076 9.326 -12.830 1.00 0.01 C ATOM 2462 O GLU A 155 -4.717 10.284 -12.447 1.00 0.01 O ATOM 2463 CB GLU A 155 -5.171 8.795 -15.027 1.00 0.01 C ATOM 2464 CG GLU A 155 -3.969 8.873 -15.972 1.00 0.01 C ATOM 2465 CD GLU A 155 -4.315 9.756 -17.172 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -4.292 10.966 -17.018 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -4.596 9.209 -18.226 1.00 0.01 O ATOM 0 H GLU A 155 -6.735 8.325 -12.952 1.00 0.01 H new ATOM 0 HA GLU A 155 -4.008 7.422 -13.843 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -5.947 8.164 -15.461 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -5.605 9.786 -14.891 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -3.106 9.280 -15.445 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -3.694 7.874 -16.310 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.810 9.185 -12.518 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.120 10.212 -11.675 1.00 0.01 C ATOM 2476 C TYR A 156 -1.306 11.164 -12.552 1.00 0.01 C ATOM 2477 O TYR A 156 -0.360 10.763 -13.201 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.193 9.500 -10.684 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.992 8.507 -9.877 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.612 8.908 -8.687 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.116 7.185 -10.319 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -3.355 7.987 -7.941 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -2.859 6.265 -9.573 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.478 6.666 -8.384 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.211 5.757 -7.647 1.00 0.01 O ATOM 0 H TYR A 156 -2.225 8.403 -12.811 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.866 10.794 -11.135 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.392 8.990 -11.220 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.721 10.227 -10.023 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -2.517 9.928 -8.345 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -1.638 6.875 -11.236 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.833 8.296 -7.023 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -2.955 5.245 -9.915 1.00 0.01 H new ATOM 0 HH TYR A 156 -5.137 6.069 -7.570 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.679 12.415 -12.606 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.941 13.377 -13.476 1.00 0.01 C ATOM 2497 C ARG A 157 0.157 14.085 -12.685 1.00 0.00 C ATOM 2498 O ARG A 157 1.148 14.508 -13.246 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.921 14.422 -14.017 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.744 15.009 -12.864 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.374 16.331 -13.309 1.00 0.00 C ATOM 2502 NE ARG A 157 -2.296 17.320 -13.596 1.00 0.01 N ATOM 2503 CZ ARG A 157 -2.567 18.404 -14.270 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -3.781 18.625 -14.693 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -1.622 19.267 -14.522 1.00 0.01 N ATOM 0 H ARG A 157 -2.462 12.812 -12.086 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.484 12.826 -14.298 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.375 15.216 -14.527 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.583 13.966 -14.753 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.521 14.306 -12.563 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -2.107 15.172 -11.994 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -3.985 16.174 -14.198 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.035 16.712 -12.530 1.00 0.00 H new ATOM 0 HE ARG A 157 -1.346 17.149 -13.265 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.520 17.950 -14.497 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -3.991 19.473 -15.220 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -0.672 19.094 -14.192 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -1.833 20.115 -15.049 1.00 0.01 H new ATOM 2519 N LYS A 158 0.006 14.208 -11.386 1.00 0.01 N ATOM 2520 CA LYS A 158 1.053 14.877 -10.551 1.00 0.01 C ATOM 2521 C LYS A 158 1.491 13.889 -9.457 1.00 0.01 C ATOM 2522 O LYS A 158 0.726 13.029 -9.068 1.00 0.01 O ATOM 2523 CB LYS A 158 0.440 16.129 -9.899 1.00 0.58 C ATOM 2524 CG LYS A 158 0.502 17.310 -10.876 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.101 18.553 -10.214 1.00 1.44 C ATOM 2526 CE LYS A 158 -0.029 19.736 -11.184 1.00 2.13 C ATOM 2527 NZ LYS A 158 1.397 20.090 -11.433 1.00 2.54 N ATOM 0 H LYS A 158 -0.804 13.871 -10.866 1.00 0.01 H new ATOM 0 HA LYS A 158 1.910 15.168 -11.159 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.594 15.933 -9.617 1.00 0.58 H new ATOM 0 HB3 LYS A 158 0.979 16.374 -8.984 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.535 17.503 -11.164 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -0.044 17.070 -11.788 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.137 18.362 -9.933 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.440 18.788 -9.297 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -0.520 19.480 -12.123 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -0.560 20.593 -10.769 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 1.455 21.063 -11.796 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 1.932 20.020 -10.544 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 1.800 19.435 -12.133 1.00 2.54 H new ATOM 2541 N PRO A 159 2.687 14.002 -8.934 1.00 0.01 N ATOM 2542 CA PRO A 159 3.123 13.073 -7.855 1.00 0.02 C ATOM 2543 C PRO A 159 2.224 13.213 -6.619 1.00 0.01 C ATOM 2544 O PRO A 159 1.867 12.236 -5.996 1.00 0.01 O ATOM 2545 CB PRO A 159 4.569 13.535 -7.584 1.00 0.41 C ATOM 2546 CG PRO A 159 4.778 14.883 -8.301 1.00 0.70 C ATOM 2547 CD PRO A 159 3.674 15.036 -9.357 1.00 0.28 C ATOM 0 HA PRO A 159 3.061 12.018 -8.122 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.741 13.642 -6.513 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.281 12.794 -7.949 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.738 15.705 -7.586 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.761 14.916 -8.770 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.242 16.037 -9.352 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.047 14.854 -10.365 1.00 0.28 H new ATOM 2555 N VAL A 160 1.858 14.403 -6.253 1.00 0.01 N ATOM 2556 CA VAL A 160 0.989 14.570 -5.053 1.00 0.02 C ATOM 2557 C VAL A 160 -0.337 13.835 -5.281 1.00 0.02 C ATOM 2558 O VAL A 160 -1.064 13.548 -4.352 1.00 0.02 O ATOM 2559 CB VAL A 160 0.721 16.059 -4.830 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.049 16.247 -3.522 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.053 16.808 -4.746 1.00 0.74 C ATOM 0 H VAL A 160 2.119 15.267 -6.727 1.00 0.01 H new ATOM 0 HA VAL A 160 1.486 14.155 -4.176 1.00 0.02 H new ATOM 0 HB VAL A 160 0.133 16.451 -5.660 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.241 17.308 -3.362 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.997 15.711 -3.577 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.541 15.856 -2.693 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.864 17.870 -4.587 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.639 16.415 -3.915 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.606 16.673 -5.676 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.668 13.541 -6.506 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.958 12.844 -6.771 1.00 0.01 C ATOM 2573 C ASP A 161 -1.978 11.425 -6.174 1.00 0.01 C ATOM 2574 O ASP A 161 -3.039 10.867 -5.976 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.182 12.744 -8.280 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.625 12.318 -8.557 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.329 12.029 -7.603 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -4.001 12.289 -9.716 1.00 0.00 O ATOM 0 H ASP A 161 -0.106 13.751 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.749 13.426 -6.299 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.979 13.705 -8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.489 12.023 -8.714 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.833 10.840 -5.852 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.852 9.459 -5.235 1.00 0.01 C ATOM 2585 C TRP A 162 -0.633 9.554 -3.717 1.00 0.01 C ATOM 2586 O TRP A 162 -0.397 8.565 -3.053 1.00 0.01 O ATOM 2587 CB TRP A 162 0.173 8.504 -5.880 1.00 0.01 C ATOM 2588 CG TRP A 162 1.515 9.132 -6.080 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.215 9.811 -5.147 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.349 9.103 -7.275 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.420 10.213 -5.700 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.549 9.799 -7.007 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.180 8.550 -8.557 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.547 9.940 -7.970 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.182 8.690 -9.531 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.363 9.385 -9.236 1.00 0.01 C ATOM 0 H TRP A 162 0.092 11.248 -5.986 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.836 9.032 -5.429 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.282 7.620 -5.252 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.210 8.166 -6.843 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.890 10.008 -4.136 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.127 10.751 -5.199 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.273 8.014 -8.794 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.456 10.475 -7.737 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.042 8.260 -10.512 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.130 9.491 -9.989 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.778 10.730 -3.155 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.655 10.886 -1.670 1.00 0.01 C ATOM 2609 C GLY A 163 0.793 11.082 -1.203 1.00 0.01 C ATOM 2610 O GLY A 163 1.073 11.024 -0.021 1.00 0.01 O ATOM 0 H GLY A 163 -0.977 11.592 -3.663 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.252 11.740 -1.350 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.071 10.005 -1.182 1.00 0.01 H new ATOM 2614 N ALA A 164 1.718 11.301 -2.101 1.00 0.01 N ATOM 2615 CA ALA A 164 3.147 11.487 -1.679 1.00 0.02 C ATOM 2616 C ALA A 164 3.509 12.972 -1.679 1.00 0.01 C ATOM 2617 O ALA A 164 3.108 13.727 -2.541 1.00 0.02 O ATOM 2618 CB ALA A 164 4.060 10.787 -2.681 1.00 0.01 C ATOM 0 H ALA A 164 1.551 11.360 -3.106 1.00 0.01 H new ATOM 0 HA ALA A 164 3.271 11.072 -0.679 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.099 10.919 -2.380 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.822 9.724 -2.709 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.912 11.218 -3.671 1.00 0.01 H new ATOM 2624 N ALA A 165 4.281 13.384 -0.711 1.00 0.02 N ATOM 2625 CA ALA A 165 4.701 14.813 -0.631 1.00 0.01 C ATOM 2626 C ALA A 165 5.930 15.038 -1.514 1.00 0.02 C ATOM 2627 O ALA A 165 6.371 16.156 -1.694 1.00 0.01 O ATOM 2628 CB ALA A 165 5.052 15.171 0.815 1.00 0.59 C ATOM 0 H ALA A 165 4.642 12.788 0.034 1.00 0.02 H new ATOM 0 HA ALA A 165 3.881 15.443 -0.974 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.358 16.216 0.867 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.180 15.016 1.450 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.869 14.536 1.159 1.00 0.59 H new ATOM 2634 N SER A 166 6.488 13.991 -2.074 1.00 0.01 N ATOM 2635 CA SER A 166 7.691 14.150 -2.954 1.00 0.01 C ATOM 2636 C SER A 166 7.591 13.163 -4.139 1.00 0.02 C ATOM 2637 O SER A 166 7.015 12.102 -3.998 1.00 0.01 O ATOM 2638 CB SER A 166 8.947 13.838 -2.138 1.00 0.72 C ATOM 2639 OG SER A 166 8.833 14.438 -0.855 1.00 0.87 O ATOM 0 H SER A 166 6.162 13.031 -1.960 1.00 0.01 H new ATOM 0 HA SER A 166 7.741 15.170 -3.334 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.072 12.760 -2.038 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.831 14.215 -2.651 1.00 0.72 H new ATOM 0 HG SER A 166 9.635 14.239 -0.328 1.00 0.87 H new ATOM 2645 N PRO A 167 8.152 13.479 -5.296 1.00 0.02 N ATOM 2646 CA PRO A 167 8.094 12.538 -6.458 1.00 0.01 C ATOM 2647 C PRO A 167 9.060 11.355 -6.290 1.00 0.01 C ATOM 2648 O PRO A 167 9.396 10.677 -7.246 1.00 0.01 O ATOM 2649 CB PRO A 167 8.550 13.438 -7.616 1.00 0.38 C ATOM 2650 CG PRO A 167 9.339 14.604 -7.004 1.00 0.35 C ATOM 2651 CD PRO A 167 8.867 14.770 -5.550 1.00 0.22 C ATOM 0 HA PRO A 167 7.112 12.085 -6.592 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.171 12.879 -8.316 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.691 13.807 -8.177 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.410 14.402 -7.039 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.169 15.520 -7.569 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.703 14.913 -4.865 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.208 15.630 -5.432 1.00 0.22 H new ATOM 2659 N ALA A 168 9.536 11.120 -5.097 1.00 0.01 N ATOM 2660 CA ALA A 168 10.506 10.005 -4.908 1.00 0.01 C ATOM 2661 C ALA A 168 9.778 8.669 -4.784 1.00 0.01 C ATOM 2662 O ALA A 168 8.982 8.446 -3.896 1.00 0.02 O ATOM 2663 CB ALA A 168 11.317 10.252 -3.634 1.00 0.18 C ATOM 0 H ALA A 168 9.299 11.645 -4.255 1.00 0.01 H new ATOM 0 HA ALA A 168 11.165 9.967 -5.775 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.028 9.438 -3.492 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.857 11.194 -3.724 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.644 10.299 -2.778 1.00 0.18 H new ATOM 2669 N ILE A 169 10.102 7.782 -5.683 1.00 0.01 N ATOM 2670 CA ILE A 169 9.514 6.411 -5.712 1.00 0.01 C ATOM 2671 C ILE A 169 10.605 5.503 -6.295 1.00 0.01 C ATOM 2672 O ILE A 169 11.129 5.773 -7.358 1.00 0.01 O ATOM 2673 CB ILE A 169 8.252 6.436 -6.613 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.986 6.780 -5.772 1.00 2.75 C ATOM 2675 CG2 ILE A 169 8.056 5.078 -7.306 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.038 7.679 -6.582 1.00 3.99 C ATOM 0 H ILE A 169 10.776 7.958 -6.428 1.00 0.01 H new ATOM 0 HA ILE A 169 9.210 6.052 -4.729 1.00 0.01 H new ATOM 0 HB ILE A 169 8.395 7.205 -7.372 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.472 5.863 -5.484 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.278 7.284 -4.851 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.166 5.115 -7.934 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.926 4.856 -7.923 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.937 4.299 -6.553 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.157 7.912 -5.983 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.551 8.603 -6.848 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.732 7.160 -7.490 1.00 3.99 H new ATOM 2688 N GLN A 170 10.989 4.459 -5.592 1.00 0.01 N ATOM 2689 CA GLN A 170 12.093 3.570 -6.091 1.00 0.01 C ATOM 2690 C GLN A 170 11.605 2.171 -6.484 1.00 0.02 C ATOM 2691 O GLN A 170 12.338 1.444 -7.125 1.00 0.01 O ATOM 2692 CB GLN A 170 13.152 3.433 -4.993 1.00 2.62 C ATOM 2693 CG GLN A 170 13.907 4.754 -4.844 1.00 3.39 C ATOM 2694 CD GLN A 170 14.873 4.925 -6.019 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.020 4.530 -5.938 1.00 4.83 O ATOM 2696 NE2 GLN A 170 14.456 5.498 -7.115 1.00 5.17 N ATOM 0 H GLN A 170 10.586 4.185 -4.696 1.00 0.01 H new ATOM 0 HA GLN A 170 12.502 4.035 -6.988 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.679 3.164 -4.049 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.847 2.631 -5.241 1.00 2.62 H new ATOM 0 HG2 GLN A 170 13.203 5.586 -4.814 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.456 4.767 -3.903 1.00 3.39 H new ATOM 0 HE21 GLN A 170 13.494 5.829 -7.183 1.00 5.17 H new ATOM 0 HE22 GLN A 170 15.092 5.614 -7.904 1.00 5.17 H new ATOM 2705 N SER A 171 10.418 1.741 -6.138 1.00 0.01 N ATOM 2706 CA SER A 171 10.019 0.358 -6.555 1.00 0.01 C ATOM 2707 C SER A 171 8.493 0.241 -6.581 1.00 0.01 C ATOM 2708 O SER A 171 7.791 1.009 -5.958 1.00 0.01 O ATOM 2709 CB SER A 171 10.588 -0.654 -5.562 1.00 0.01 C ATOM 2710 OG SER A 171 10.213 -1.966 -5.964 1.00 0.02 O ATOM 0 H SER A 171 9.726 2.266 -5.603 1.00 0.01 H new ATOM 0 HA SER A 171 10.411 0.157 -7.552 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.674 -0.570 -5.521 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.214 -0.447 -4.559 1.00 0.01 H new ATOM 0 HG SER A 171 10.295 -2.046 -6.937 1.00 0.02 H new ATOM 2716 N PHE A 172 7.977 -0.731 -7.292 1.00 0.01 N ATOM 2717 CA PHE A 172 6.492 -0.908 -7.344 1.00 0.01 C ATOM 2718 C PHE A 172 6.140 -2.376 -7.601 1.00 0.01 C ATOM 2719 O PHE A 172 6.916 -3.122 -8.168 1.00 0.01 O ATOM 2720 CB PHE A 172 5.891 -0.024 -8.443 1.00 1.06 C ATOM 2721 CG PHE A 172 6.273 -0.540 -9.813 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.596 -1.635 -10.370 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.293 0.089 -10.537 1.00 1.29 C ATOM 2724 CE1 PHE A 172 5.944 -2.099 -11.644 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.638 -0.373 -11.811 1.00 2.02 C ATOM 2726 CZ PHE A 172 6.964 -1.468 -12.364 1.00 1.92 C ATOM 0 H PHE A 172 8.515 -1.406 -7.835 1.00 0.01 H new ATOM 0 HA PHE A 172 6.073 -0.610 -6.383 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.805 -0.003 -8.347 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.242 1.001 -8.324 1.00 1.06 H new ATOM 0 HD1 PHE A 172 4.806 -2.120 -9.816 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.815 0.933 -10.111 1.00 1.29 H new ATOM 0 HE1 PHE A 172 5.425 -2.944 -12.071 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.424 0.115 -12.368 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.232 -1.826 -13.347 1.00 1.92 H new ATOM 2736 N ARG A 173 4.980 -2.804 -7.165 1.00 0.01 N ATOM 2737 CA ARG A 173 4.578 -4.233 -7.362 1.00 0.01 C ATOM 2738 C ARG A 173 3.077 -4.326 -7.638 1.00 0.01 C ATOM 2739 O ARG A 173 2.284 -3.534 -7.162 1.00 0.01 O ATOM 2740 CB ARG A 173 4.863 -5.029 -6.083 1.00 0.01 C ATOM 2741 CG ARG A 173 6.368 -5.216 -5.880 1.00 0.01 C ATOM 2742 CD ARG A 173 6.597 -6.308 -4.825 1.00 0.01 C ATOM 2743 NE ARG A 173 5.498 -6.269 -3.818 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.306 -7.285 -3.024 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.071 -8.338 -3.116 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.348 -7.249 -2.140 1.00 0.01 N ATOM 0 H ARG A 173 4.294 -2.225 -6.681 1.00 0.01 H new ATOM 0 HA ARG A 173 5.143 -4.634 -8.203 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.438 -4.509 -5.224 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.376 -6.002 -6.140 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.843 -5.495 -6.820 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.824 -4.280 -5.558 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.632 -7.287 -5.302 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.559 -6.158 -4.335 1.00 0.01 H new ATOM 0 HE ARG A 173 4.897 -5.448 -3.750 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.819 -8.366 -3.809 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.921 -9.133 -2.495 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.749 -6.426 -2.070 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.197 -8.044 -1.519 1.00 0.01 H new ATOM 2760 N ARG A 174 2.686 -5.318 -8.390 1.00 0.01 N ATOM 2761 CA ARG A 174 1.245 -5.522 -8.695 1.00 0.01 C ATOM 2762 C ARG A 174 0.631 -6.367 -7.581 1.00 0.01 C ATOM 2763 O ARG A 174 1.245 -7.298 -7.098 1.00 0.01 O ATOM 2764 CB ARG A 174 1.103 -6.278 -10.019 1.00 0.01 C ATOM 2765 CG ARG A 174 1.765 -7.656 -9.890 1.00 0.01 C ATOM 2766 CD ARG A 174 2.006 -8.249 -11.279 1.00 0.01 C ATOM 2767 NE ARG A 174 0.697 -8.517 -11.937 1.00 0.01 N ATOM 2768 CZ ARG A 174 0.649 -8.754 -13.220 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.747 -8.755 -13.926 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -0.499 -8.991 -13.797 1.00 0.01 N ATOM 0 H ARG A 174 3.313 -6.004 -8.811 1.00 0.01 H new ATOM 0 HA ARG A 174 0.742 -4.558 -8.769 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.050 -6.391 -10.275 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.569 -5.712 -10.826 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.710 -7.567 -9.354 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.129 -8.321 -9.306 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.595 -7.559 -11.884 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.580 -9.172 -11.198 1.00 0.01 H new ATOM 0 HE ARG A 174 -0.161 -8.515 -11.386 1.00 0.01 H new ATOM 0 HH11 ARG A 174 2.643 -8.571 -13.475 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.709 -8.940 -14.928 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -1.357 -8.991 -13.245 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -0.537 -9.176 -14.799 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.576 -6.072 -7.180 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.215 -6.895 -6.105 1.00 0.01 C ATOM 2786 C ILE A 175 -2.078 -7.984 -6.745 1.00 0.00 C ATOM 2787 O ILE A 175 -2.890 -7.715 -7.607 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.089 -6.026 -5.203 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.331 -4.740 -4.838 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.415 -6.804 -3.929 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.179 -3.829 -3.921 1.00 3.04 C ATOM 0 H ILE A 175 -1.144 -5.307 -7.543 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.428 -7.346 -5.500 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.011 -5.765 -5.723 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.397 -4.996 -4.337 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.068 -4.200 -5.747 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.039 -6.191 -3.278 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.949 -7.719 -4.188 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.490 -7.058 -3.411 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.615 -2.928 -3.681 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.101 -3.554 -4.433 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.420 -4.362 -3.001 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.904 -9.214 -6.331 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.708 -10.336 -6.912 1.00 0.00 C ATOM 2805 C VAL A 176 -3.183 -11.260 -5.790 1.00 0.01 C ATOM 2806 O VAL A 176 -2.515 -11.436 -4.791 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.840 -11.141 -7.880 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.604 -10.330 -9.154 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.496 -11.451 -7.218 1.00 1.89 C ATOM 0 H VAL A 176 -1.236 -9.492 -5.612 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.567 -9.923 -7.441 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.347 -12.072 -8.133 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -0.985 -10.906 -9.842 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.561 -10.107 -9.626 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.097 -9.398 -8.903 1.00 1.88 H new ATOM 0 HG21 VAL A 176 0.125 -12.025 -7.906 1.00 1.89 H new ATOM 0 HG22 VAL A 176 0.009 -10.519 -6.965 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.663 -12.031 -6.310 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.335 -11.853 -5.947 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.859 -12.768 -4.894 1.00 0.01 C ATOM 2821 C GLU A 177 -4.149 -14.120 -4.995 1.00 0.01 C ATOM 2822 O GLU A 177 -3.025 -14.210 -5.446 1.00 0.01 O ATOM 2823 CB GLU A 177 -6.363 -12.966 -5.090 1.00 2.15 C ATOM 2824 CG GLU A 177 -6.923 -13.803 -3.938 1.00 3.19 C ATOM 2825 CD GLU A 177 -8.448 -13.688 -3.918 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -9.066 -14.095 -4.888 1.00 4.77 O ATOM 2827 OE2 GLU A 177 -8.972 -13.195 -2.932 1.00 4.89 O ATOM 0 H GLU A 177 -4.938 -11.743 -6.762 1.00 0.01 H new ATOM 0 HA GLU A 177 -4.676 -12.333 -3.911 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -6.866 -12.000 -5.129 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.554 -13.463 -6.041 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -6.628 -14.846 -4.055 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -6.509 -13.459 -2.990 1.00 3.19 H new