USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 832 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 23 MET CE :methyl -121:sc= -0.196 (180deg=-1.34) USER MOD Set 1.2: A 109 CYS SG : rot -17:sc= 0.467 USER MOD Set 2.1: A 104 SER OG : rot -150:sc= 1.06 USER MOD Set 2.2: A 107 SER OG : rot 52:sc= 1.52 USER MOD Set 3.1: A 83 HIS : no HD1:sc= 0 K(o=-0.16,f=-1.3) USER MOD Set 3.2: A 91 CYS SG : rot -53:sc= -0.163 USER MOD Set 4.1: A 49 TYR OH : rot -1:sc= 1.31 USER MOD Set 4.2: A 81 HIS : no HD1:sc= 0.401 K(o=1.7,f=-7.3!) USER MOD Set 5.1: A 36 GLN : amide:sc= 0.369 K(o=1.4,f=-6.2!) USER MOD Set 5.2: A 59 LYS NZ :NH3+ -176:sc= 1.08 (180deg=-0.0329) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.323 K(o=0.32,f=-0.34) USER MOD Single : A 17 ASN : amide:sc= -0.0295 K(o=-0.029,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 35 THR OG1 : rot -29:sc= 0.0833 USER MOD Single : A 41 MET CE :methyl 178:sc= -0.132 (180deg=-0.156) USER MOD Single : A 47 THR OG1 : rot -72:sc= 1.49 USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0.698 (180deg=0.697) USER MOD Single : A 55 GLN : amide:sc= 0.975 K(o=0.98,f=-1.1) USER MOD Single : A 61 SER OG : rot -120:sc= 0.773 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -179:sc= 1.05 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 72 MET CE :methyl 173:sc= 0 (180deg=-0.0597) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.182 K(o=0.18,f=-2.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00977 K(o=-0.0098,f=-0.78) USER MOD Single : A 89 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-0.74) USER MOD Single : A 93 SER OG : rot 136:sc= 1.18 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.443 USER MOD Single : A 100 SER OG : rot 180:sc= -0.255 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 111 SER OG : rot 65:sc= 1.25 USER MOD Single : A 114 SER OG : rot 73:sc= 1.18 USER MOD Single : A 115 MET CE :methyl 164:sc= -0.813 (180deg=-1.32) USER MOD Single : A 117 SER OG : rot -31:sc= 0.505 USER MOD Single : A 118 SER OG : rot -79:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.210 -6.808 -19.967 1.00 0.00 N ATOM 42 CA MET A 4 0.015 -6.709 -18.531 1.00 0.00 C ATOM 43 C MET A 4 0.390 -5.317 -18.036 1.00 0.00 C ATOM 44 O MET A 4 -0.225 -4.804 -17.099 1.00 0.00 O ATOM 45 CB MET A 4 0.855 -7.763 -17.821 1.00 0.00 C ATOM 46 CG MET A 4 0.435 -9.210 -18.023 1.00 0.00 C ATOM 47 SD MET A 4 -1.211 -9.546 -17.370 1.00 0.00 S ATOM 48 CE MET A 4 -1.310 -11.319 -17.576 1.00 0.00 C ATOM 0 HA MET A 4 -1.038 -6.882 -18.308 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.888 -7.657 -18.153 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.840 -7.549 -16.752 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.456 -9.446 -19.087 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.157 -9.866 -17.536 1.00 0.00 H new ATOM 0 HE1 MET A 4 -2.275 -11.674 -17.215 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.203 -11.569 -18.631 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.512 -11.796 -17.007 1.00 0.00 H new ATOM 58 N GLN A 5 1.362 -4.692 -18.701 1.00 0.00 N ATOM 59 CA GLN A 5 1.842 -3.375 -18.329 1.00 0.00 C ATOM 60 C GLN A 5 0.846 -2.375 -18.870 1.00 0.00 C ATOM 61 O GLN A 5 0.646 -1.322 -18.271 1.00 0.00 O ATOM 62 CB GLN A 5 3.250 -3.124 -18.866 1.00 0.00 C ATOM 63 CG GLN A 5 4.310 -4.000 -18.220 1.00 0.00 C ATOM 64 CD GLN A 5 5.688 -3.764 -18.807 1.00 0.00 C ATOM 65 OE1 GLN A 5 5.824 -3.228 -19.910 1.00 0.00 O ATOM 66 NE2 GLN A 5 6.722 -4.163 -18.076 1.00 0.00 N ATOM 0 H GLN A 5 1.834 -5.091 -19.512 1.00 0.00 H new ATOM 0 HA GLN A 5 1.919 -3.283 -17.246 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.256 -3.295 -19.943 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.509 -2.077 -18.708 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.336 -3.804 -17.148 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.038 -5.048 -18.346 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.566 -4.602 -17.169 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.672 -4.030 -18.422 1.00 0.00 H new ATOM 75 N LYS A 6 0.248 -2.698 -20.015 1.00 0.00 N ATOM 76 CA LYS A 6 -0.796 -1.859 -20.578 1.00 0.00 C ATOM 77 C LYS A 6 -1.999 -1.848 -19.637 1.00 0.00 C ATOM 78 O LYS A 6 -2.610 -0.795 -19.444 1.00 0.00 O ATOM 79 CB LYS A 6 -1.183 -2.360 -21.966 1.00 0.00 C ATOM 80 CG LYS A 6 -0.092 -2.142 -23.005 1.00 0.00 C ATOM 81 CD LYS A 6 -0.504 -2.658 -24.375 1.00 0.00 C ATOM 82 CE LYS A 6 0.604 -2.441 -25.395 1.00 0.00 C ATOM 83 NZ LYS A 6 0.220 -2.930 -26.749 1.00 0.00 N ATOM 0 H LYS A 6 0.469 -3.529 -20.564 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.429 -0.838 -20.685 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.416 -3.423 -21.910 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.091 -1.851 -22.289 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.139 -1.079 -23.072 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.820 -2.647 -22.686 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.742 -3.720 -24.311 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.410 -2.148 -24.703 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.845 -1.379 -25.448 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.506 -2.957 -25.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.003 -2.763 -27.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.015 -3.949 -26.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.626 -2.420 -27.075 1.00 0.00 H new ATOM 97 N ARG A 7 -2.330 -3.008 -19.058 1.00 0.00 N ATOM 98 CA ARG A 7 -3.405 -3.098 -18.076 1.00 0.00 C ATOM 99 C ARG A 7 -3.064 -2.284 -16.839 1.00 0.00 C ATOM 100 O ARG A 7 -3.946 -1.633 -16.282 1.00 0.00 O ATOM 101 CB ARG A 7 -3.662 -4.541 -17.664 1.00 0.00 C ATOM 102 CG ARG A 7 -4.324 -5.421 -18.709 1.00 0.00 C ATOM 103 CD ARG A 7 -4.448 -6.827 -18.243 1.00 0.00 C ATOM 104 NE ARG A 7 -5.105 -7.664 -19.234 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.253 -9.000 -19.139 1.00 0.00 C ATOM 106 NH1 ARG A 7 -4.789 -9.646 -18.093 1.00 0.00 N ATOM 107 NH2 ARG A 7 -5.870 -9.664 -20.102 1.00 0.00 N ATOM 0 H ARG A 7 -1.866 -3.895 -19.256 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.306 -2.700 -18.544 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.710 -4.994 -17.386 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.287 -4.538 -16.771 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.313 -5.027 -18.944 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.742 -5.393 -19.630 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.458 -7.228 -18.027 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.013 -6.854 -17.311 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.482 -7.205 -20.063 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.314 -9.136 -17.348 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.904 -10.657 -18.026 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.233 -9.165 -20.914 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.983 -10.675 -20.032 1.00 0.00 H new ATOM 121 N LEU A 8 -1.805 -2.351 -16.411 1.00 0.00 N ATOM 122 CA LEU A 8 -1.288 -1.573 -15.296 1.00 0.00 C ATOM 123 C LEU A 8 -1.446 -0.075 -15.554 1.00 0.00 C ATOM 124 O LEU A 8 -1.829 0.656 -14.640 1.00 0.00 O ATOM 125 CB LEU A 8 0.172 -1.945 -15.051 1.00 0.00 C ATOM 126 CG LEU A 8 0.873 -1.223 -13.912 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.175 -1.519 -12.604 1.00 0.00 C ATOM 128 CD2 LEU A 8 2.310 -1.700 -13.889 1.00 0.00 C ATOM 0 H LEU A 8 -1.107 -2.959 -16.839 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.863 -1.806 -14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.224 -3.017 -14.859 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.730 -1.758 -15.968 1.00 0.00 H new ATOM 0 HG LEU A 8 0.844 -0.143 -14.055 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.684 -0.997 -11.794 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.860 -1.181 -12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.197 -2.592 -12.415 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.846 -1.201 -13.081 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.333 -2.778 -13.729 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.787 -1.464 -14.840 1.00 0.00 H new ATOM 140 N GLN A 9 -1.120 0.377 -16.769 1.00 0.00 N ATOM 141 CA GLN A 9 -1.290 1.776 -17.150 1.00 0.00 C ATOM 142 C GLN A 9 -2.747 2.185 -17.056 1.00 0.00 C ATOM 143 O GLN A 9 -3.045 3.271 -16.555 1.00 0.00 O ATOM 144 CB GLN A 9 -0.797 2.030 -18.581 1.00 0.00 C ATOM 145 CG GLN A 9 0.705 1.969 -18.790 1.00 0.00 C ATOM 146 CD GLN A 9 1.107 2.110 -20.243 1.00 0.00 C ATOM 147 OE1 GLN A 9 0.400 1.658 -21.148 1.00 0.00 O ATOM 148 NE2 GLN A 9 2.250 2.746 -20.476 1.00 0.00 N ATOM 0 H GLN A 9 -0.735 -0.213 -17.507 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.695 2.371 -16.457 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.265 1.299 -19.240 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.148 3.013 -18.895 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.179 2.760 -18.209 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.082 1.021 -18.405 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.803 3.103 -19.697 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.575 2.877 -21.434 1.00 0.00 H new ATOM 157 N LYS A 10 -3.639 1.317 -17.531 1.00 0.00 N ATOM 158 CA LYS A 10 -5.064 1.581 -17.450 1.00 0.00 C ATOM 159 C LYS A 10 -5.519 1.658 -16.000 1.00 0.00 C ATOM 160 O LYS A 10 -6.365 2.495 -15.683 1.00 0.00 O ATOM 161 CB LYS A 10 -5.839 0.495 -18.192 1.00 0.00 C ATOM 162 CG LYS A 10 -5.687 0.541 -19.704 1.00 0.00 C ATOM 163 CD LYS A 10 -6.450 -0.595 -20.367 1.00 0.00 C ATOM 164 CE LYS A 10 -6.286 -0.563 -21.879 1.00 0.00 C ATOM 165 NZ LYS A 10 -7.015 -1.682 -22.537 1.00 0.00 N ATOM 0 H LYS A 10 -3.396 0.430 -17.973 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.264 2.544 -17.920 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.508 -0.480 -17.835 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.896 0.584 -17.942 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.052 1.497 -20.080 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.631 0.477 -19.968 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.093 -1.550 -19.981 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.507 -0.523 -20.112 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.654 0.388 -22.265 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.227 -0.621 -22.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.880 -1.627 -23.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.646 -2.590 -22.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.029 -1.613 -22.317 1.00 0.00 H new ATOM 179 N GLU A 11 -4.977 0.784 -15.145 1.00 0.00 N ATOM 180 CA GLU A 11 -5.289 0.789 -13.724 1.00 0.00 C ATOM 181 C GLU A 11 -4.879 2.112 -13.101 1.00 0.00 C ATOM 182 O GLU A 11 -5.660 2.671 -12.332 1.00 0.00 O ATOM 183 CB GLU A 11 -4.624 -0.370 -12.974 1.00 0.00 C ATOM 184 CG GLU A 11 -5.060 -0.381 -11.516 1.00 0.00 C ATOM 185 CD GLU A 11 -4.595 -1.521 -10.648 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.770 -2.329 -11.016 1.00 0.00 O ATOM 187 OE2 GLU A 11 -5.136 -1.569 -9.568 1.00 0.00 O ATOM 0 H GLU A 11 -4.314 0.060 -15.423 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.367 0.658 -13.634 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.889 -1.316 -13.446 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.540 -0.276 -13.035 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.719 0.548 -11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.150 -0.367 -11.493 1.00 0.00 H new ATOM 194 N LEU A 12 -3.669 2.590 -13.408 1.00 0.00 N ATOM 195 CA LEU A 12 -3.214 3.874 -12.889 1.00 0.00 C ATOM 196 C LEU A 12 -4.169 4.978 -13.264 1.00 0.00 C ATOM 197 O LEU A 12 -4.550 5.762 -12.397 1.00 0.00 O ATOM 198 CB LEU A 12 -1.839 4.289 -13.418 1.00 0.00 C ATOM 199 CG LEU A 12 -1.379 5.661 -12.900 1.00 0.00 C ATOM 200 CD1 LEU A 12 -1.291 5.634 -11.379 1.00 0.00 C ATOM 201 CD2 LEU A 12 -0.016 5.990 -13.482 1.00 0.00 C ATOM 0 H LEU A 12 -2.997 2.110 -14.007 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.160 3.734 -11.809 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.105 3.536 -13.133 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.867 4.310 -14.507 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.098 6.421 -13.204 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.965 6.609 -11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.271 5.401 -10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.575 4.873 -11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.311 6.963 -13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.702 5.228 -13.180 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.081 6.016 -14.570 1.00 0.00 H new ATOM 213 N LEU A 13 -4.536 5.035 -14.541 1.00 0.00 N ATOM 214 CA LEU A 13 -5.435 6.063 -15.030 1.00 0.00 C ATOM 215 C LEU A 13 -6.797 5.992 -14.358 1.00 0.00 C ATOM 216 O LEU A 13 -7.382 7.035 -14.066 1.00 0.00 O ATOM 217 CB LEU A 13 -5.586 5.904 -16.542 1.00 0.00 C ATOM 218 CG LEU A 13 -4.324 6.232 -17.346 1.00 0.00 C ATOM 219 CD1 LEU A 13 -4.551 5.852 -18.803 1.00 0.00 C ATOM 220 CD2 LEU A 13 -4.008 7.711 -17.192 1.00 0.00 C ATOM 0 H LEU A 13 -4.221 4.377 -15.254 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.010 7.038 -14.791 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.883 4.878 -16.759 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.396 6.549 -16.883 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.470 5.664 -16.977 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.657 6.082 -19.383 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.763 4.785 -18.872 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.395 6.416 -19.199 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.111 7.953 -17.762 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.844 8.302 -17.564 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.842 7.940 -16.139 1.00 0.00 H new ATOM 232 N ALA A 14 -7.296 4.778 -14.119 1.00 0.00 N ATOM 233 CA ALA A 14 -8.560 4.585 -13.425 1.00 0.00 C ATOM 234 C ALA A 14 -8.476 5.130 -12.008 1.00 0.00 C ATOM 235 O ALA A 14 -9.422 5.763 -11.540 1.00 0.00 O ATOM 236 CB ALA A 14 -8.930 3.111 -13.399 1.00 0.00 C ATOM 0 H ALA A 14 -6.837 3.912 -14.400 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.336 5.130 -13.963 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.878 2.983 -12.876 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.026 2.742 -14.420 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.152 2.550 -12.882 1.00 0.00 H new ATOM 242 N LEU A 15 -7.351 4.879 -11.341 1.00 0.00 N ATOM 243 CA LEU A 15 -7.124 5.354 -9.987 1.00 0.00 C ATOM 244 C LEU A 15 -6.848 6.844 -9.941 1.00 0.00 C ATOM 245 O LEU A 15 -7.078 7.478 -8.918 1.00 0.00 O ATOM 246 CB LEU A 15 -5.983 4.557 -9.366 1.00 0.00 C ATOM 247 CG LEU A 15 -6.377 3.092 -9.161 1.00 0.00 C ATOM 248 CD1 LEU A 15 -5.204 2.276 -8.643 1.00 0.00 C ATOM 249 CD2 LEU A 15 -7.548 3.070 -8.202 1.00 0.00 C ATOM 0 H LEU A 15 -6.575 4.341 -11.727 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.033 5.198 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.105 4.613 -10.009 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.706 4.999 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.665 2.635 -10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.514 1.240 -8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.385 2.319 -9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.871 2.683 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.859 2.039 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.252 3.522 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.378 3.633 -8.629 1.00 0.00 H new ATOM 261 N GLN A 16 -6.317 7.423 -11.009 1.00 0.00 N ATOM 262 CA GLN A 16 -6.180 8.867 -11.024 1.00 0.00 C ATOM 263 C GLN A 16 -7.558 9.496 -11.188 1.00 0.00 C ATOM 264 O GLN A 16 -7.844 10.533 -10.587 1.00 0.00 O ATOM 265 CB GLN A 16 -5.216 9.315 -12.117 1.00 0.00 C ATOM 266 CG GLN A 16 -3.783 8.934 -11.798 1.00 0.00 C ATOM 267 CD GLN A 16 -2.791 9.340 -12.860 1.00 0.00 C ATOM 268 OE1 GLN A 16 -3.051 9.316 -14.066 1.00 0.00 O ATOM 269 NE2 GLN A 16 -1.619 9.736 -12.380 1.00 0.00 N ATOM 0 H GLN A 16 -5.987 6.937 -11.843 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.754 9.202 -10.078 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.509 8.865 -13.066 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.285 10.396 -12.242 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.497 9.395 -10.852 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.727 7.855 -11.656 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.454 9.737 -11.373 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.883 10.039 -13.018 1.00 0.00 H new ATOM 278 N ASN A 17 -8.408 8.880 -12.009 1.00 0.00 N ATOM 279 CA ASN A 17 -9.772 9.354 -12.182 1.00 0.00 C ATOM 280 C ASN A 17 -10.629 9.122 -10.937 1.00 0.00 C ATOM 281 O ASN A 17 -11.540 9.905 -10.661 1.00 0.00 O ATOM 282 CB ASN A 17 -10.399 8.688 -13.389 1.00 0.00 C ATOM 283 CG ASN A 17 -9.842 9.224 -14.677 1.00 0.00 C ATOM 284 OD1 ASN A 17 -9.296 10.332 -14.719 1.00 0.00 O ATOM 285 ND2 ASN A 17 -9.971 8.461 -15.732 1.00 0.00 N ATOM 0 H ASN A 17 -8.173 8.055 -12.561 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.729 10.431 -12.342 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.229 7.613 -13.340 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.478 8.841 -13.368 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.614 8.774 -16.635 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.429 7.553 -15.652 1.00 0.00 H new ATOM 292 N ASP A 18 -10.349 8.055 -10.191 1.00 0.00 N ATOM 293 CA ASP A 18 -11.075 7.770 -8.966 1.00 0.00 C ATOM 294 C ASP A 18 -10.209 6.991 -7.974 1.00 0.00 C ATOM 295 O ASP A 18 -10.306 5.765 -7.909 1.00 0.00 O ATOM 296 CB ASP A 18 -12.336 6.966 -9.292 1.00 0.00 C ATOM 297 CG ASP A 18 -13.248 6.749 -8.094 1.00 0.00 C ATOM 298 OD1 ASP A 18 -12.898 7.169 -7.017 1.00 0.00 O ATOM 299 OD2 ASP A 18 -14.290 6.162 -8.266 1.00 0.00 O ATOM 0 H ASP A 18 -9.623 7.376 -10.418 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.349 8.719 -8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.894 7.482 -10.073 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.044 5.997 -9.696 1.00 0.00 H new ATOM 304 N PRO A 19 -9.357 7.676 -7.203 1.00 0.00 N ATOM 305 CA PRO A 19 -8.492 7.095 -6.202 1.00 0.00 C ATOM 306 C PRO A 19 -9.257 6.712 -4.944 1.00 0.00 C ATOM 307 O PRO A 19 -10.315 7.282 -4.677 1.00 0.00 O ATOM 308 CB PRO A 19 -7.516 8.248 -5.945 1.00 0.00 C ATOM 309 CG PRO A 19 -8.319 9.487 -6.234 1.00 0.00 C ATOM 310 CD PRO A 19 -9.259 9.133 -7.370 1.00 0.00 C ATOM 0 HA PRO A 19 -8.014 6.166 -6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.153 8.240 -4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.642 8.181 -6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.877 9.803 -5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.668 10.316 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.227 9.626 -7.275 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.854 9.411 -8.343 1.00 0.00 H new ATOM 318 N PRO A 20 -8.751 5.764 -4.158 1.00 0.00 N ATOM 319 CA PRO A 20 -9.345 5.364 -2.913 1.00 0.00 C ATOM 320 C PRO A 20 -9.141 6.462 -1.873 1.00 0.00 C ATOM 321 O PRO A 20 -8.175 7.220 -1.997 1.00 0.00 O ATOM 322 CB PRO A 20 -8.563 4.093 -2.599 1.00 0.00 C ATOM 323 CG PRO A 20 -7.241 4.293 -3.289 1.00 0.00 C ATOM 324 CD PRO A 20 -7.535 5.059 -4.563 1.00 0.00 C ATOM 0 HA PRO A 20 -10.422 5.197 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.435 3.959 -1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.077 3.207 -2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.551 4.847 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.770 3.335 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.729 5.740 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.699 4.401 -5.417 1.00 0.00 H new ATOM 332 N PRO A 21 -10.024 6.561 -0.876 1.00 0.00 N ATOM 333 CA PRO A 21 -9.979 7.541 0.191 1.00 0.00 C ATOM 334 C PRO A 21 -8.617 7.761 0.832 1.00 0.00 C ATOM 335 O PRO A 21 -8.028 6.850 1.413 1.00 0.00 O ATOM 336 CB PRO A 21 -10.973 6.909 1.174 1.00 0.00 C ATOM 337 CG PRO A 21 -11.947 6.175 0.294 1.00 0.00 C ATOM 338 CD PRO A 21 -11.134 5.599 -0.837 1.00 0.00 C ATOM 0 HA PRO A 21 -10.210 8.548 -0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.473 6.231 1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.474 7.667 1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.457 5.387 0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.717 6.849 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.797 4.583 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.690 5.567 -1.774 1.00 0.00 H new ATOM 346 N GLY A 22 -8.145 9.002 0.734 1.00 0.00 N ATOM 347 CA GLY A 22 -6.877 9.427 1.313 1.00 0.00 C ATOM 348 C GLY A 22 -5.658 9.187 0.425 1.00 0.00 C ATOM 349 O GLY A 22 -4.541 9.525 0.819 1.00 0.00 O ATOM 0 H GLY A 22 -8.640 9.748 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.937 10.490 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.730 8.903 2.257 1.00 0.00 H new ATOM 353 N MET A 23 -5.830 8.587 -0.755 1.00 0.00 N ATOM 354 CA MET A 23 -4.660 8.311 -1.582 1.00 0.00 C ATOM 355 C MET A 23 -4.544 9.172 -2.845 1.00 0.00 C ATOM 356 O MET A 23 -5.555 9.538 -3.448 1.00 0.00 O ATOM 357 CB MET A 23 -4.709 6.844 -1.977 1.00 0.00 C ATOM 358 CG MET A 23 -4.900 5.923 -0.778 1.00 0.00 C ATOM 359 SD MET A 23 -3.568 5.905 0.430 1.00 0.00 S ATOM 360 CE MET A 23 -2.209 4.986 -0.269 1.00 0.00 C ATOM 0 H MET A 23 -6.726 8.295 -1.144 1.00 0.00 H new ATOM 0 HA MET A 23 -3.783 8.559 -0.984 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.524 6.688 -2.684 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.785 6.579 -2.492 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.820 6.210 -0.269 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.043 4.907 -1.146 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.974 4.138 0.375 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.486 4.624 -1.259 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.336 5.633 -0.350 1.00 0.00 H new ATOM 370 N THR A 24 -3.309 9.493 -3.238 1.00 0.00 N ATOM 371 CA THR A 24 -3.028 10.228 -4.478 1.00 0.00 C ATOM 372 C THR A 24 -2.053 9.414 -5.316 1.00 0.00 C ATOM 373 O THR A 24 -0.937 9.144 -4.879 1.00 0.00 O ATOM 374 CB THR A 24 -2.440 11.628 -4.224 1.00 0.00 C ATOM 375 OG1 THR A 24 -3.361 12.415 -3.457 1.00 0.00 O ATOM 376 CG2 THR A 24 -2.158 12.322 -5.547 1.00 0.00 C ATOM 0 H THR A 24 -2.473 9.251 -2.706 1.00 0.00 H new ATOM 0 HA THR A 24 -3.974 10.371 -5.000 1.00 0.00 H new ATOM 0 HB THR A 24 -1.508 11.521 -3.668 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.979 13.303 -3.298 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.742 13.312 -5.357 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.444 11.733 -6.122 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.085 12.420 -6.111 1.00 0.00 H new ATOM 384 N LEU A 25 -2.413 9.087 -6.557 1.00 0.00 N ATOM 385 CA LEU A 25 -1.547 8.187 -7.317 1.00 0.00 C ATOM 386 C LEU A 25 -0.952 8.733 -8.610 1.00 0.00 C ATOM 387 O LEU A 25 -1.569 9.538 -9.310 1.00 0.00 O ATOM 388 CB LEU A 25 -2.348 6.933 -7.703 1.00 0.00 C ATOM 389 CG LEU A 25 -2.832 6.035 -6.557 1.00 0.00 C ATOM 390 CD1 LEU A 25 -4.206 6.491 -6.084 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.848 4.600 -7.035 1.00 0.00 C ATOM 0 H LEU A 25 -3.252 9.411 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.709 8.004 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.219 7.251 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.732 6.329 -8.369 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.156 6.107 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.542 5.848 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.146 7.521 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.914 6.431 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.191 3.952 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.522 4.508 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.842 4.305 -7.335 1.00 0.00 H new ATOM 403 N ASN A 26 0.258 8.263 -8.918 1.00 0.00 N ATOM 404 CA ASN A 26 0.963 8.663 -10.129 1.00 0.00 C ATOM 405 C ASN A 26 2.186 7.773 -10.375 1.00 0.00 C ATOM 406 O ASN A 26 2.605 7.017 -9.502 1.00 0.00 O ATOM 407 CB ASN A 26 1.364 10.132 -10.023 1.00 0.00 C ATOM 408 CG ASN A 26 1.449 10.864 -11.338 1.00 0.00 C ATOM 409 OD1 ASN A 26 1.694 10.264 -12.391 1.00 0.00 O ATOM 410 ND2 ASN A 26 1.244 12.156 -11.294 1.00 0.00 N ATOM 0 H ASN A 26 0.771 7.599 -8.337 1.00 0.00 H new ATOM 0 HA ASN A 26 0.297 8.539 -10.983 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.645 10.645 -9.384 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.332 10.194 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.283 12.708 -12.151 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.045 12.611 -10.403 1.00 0.00 H new ATOM 542 N THR A 35 5.803 0.561 -14.134 1.00 0.00 N ATOM 543 CA THR A 35 6.075 -0.444 -13.123 1.00 0.00 C ATOM 544 C THR A 35 6.533 0.140 -11.782 1.00 0.00 C ATOM 545 O THR A 35 6.715 -0.603 -10.820 1.00 0.00 O ATOM 546 CB THR A 35 7.127 -1.434 -13.643 1.00 0.00 C ATOM 547 OG1 THR A 35 8.338 -0.736 -13.972 1.00 0.00 O ATOM 548 CG2 THR A 35 6.589 -2.159 -14.867 1.00 0.00 C ATOM 0 HA THR A 35 5.130 -0.953 -12.933 1.00 0.00 H new ATOM 0 HB THR A 35 7.346 -2.166 -12.865 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.124 0.183 -14.237 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.339 -2.861 -15.233 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.683 -2.703 -14.599 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.359 -1.434 -15.648 1.00 0.00 H new ATOM 556 N GLN A 36 6.760 1.452 -11.698 1.00 0.00 N ATOM 557 CA GLN A 36 7.122 2.065 -10.422 1.00 0.00 C ATOM 558 C GLN A 36 6.256 3.287 -10.137 1.00 0.00 C ATOM 559 O GLN A 36 6.403 4.295 -10.830 1.00 0.00 O ATOM 560 CB GLN A 36 8.582 2.502 -10.424 1.00 0.00 C ATOM 561 CG GLN A 36 8.987 3.182 -9.133 1.00 0.00 C ATOM 562 CD GLN A 36 8.984 2.223 -7.964 1.00 0.00 C ATOM 563 OE1 GLN A 36 9.848 1.339 -7.913 1.00 0.00 O ATOM 564 NE2 GLN A 36 8.032 2.379 -7.055 1.00 0.00 N ATOM 0 H GLN A 36 6.701 2.100 -12.484 1.00 0.00 H new ATOM 0 HA GLN A 36 6.962 1.313 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.218 1.632 -10.587 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.753 3.183 -11.258 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.982 3.613 -9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.304 4.007 -8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.349 3.129 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.983 1.749 -6.255 1.00 0.00 H new ATOM 573 N TRP A 37 5.364 3.202 -9.144 1.00 0.00 N ATOM 574 CA TRP A 37 4.499 4.332 -8.808 1.00 0.00 C ATOM 575 C TRP A 37 4.891 4.982 -7.490 1.00 0.00 C ATOM 576 O TRP A 37 5.501 4.358 -6.618 1.00 0.00 O ATOM 577 CB TRP A 37 3.028 3.928 -8.631 1.00 0.00 C ATOM 578 CG TRP A 37 2.347 3.317 -9.811 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.876 3.100 -11.042 1.00 0.00 C ATOM 580 CD2 TRP A 37 0.993 2.802 -9.865 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.967 2.474 -11.841 1.00 0.00 N ATOM 582 CE2 TRP A 37 0.807 2.284 -11.146 1.00 0.00 C ATOM 583 CE3 TRP A 37 -0.058 2.731 -8.943 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -0.381 1.693 -11.535 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -1.254 2.147 -9.347 1.00 0.00 C ATOM 586 CH2 TRP A 37 -1.415 1.638 -10.607 1.00 0.00 C ATOM 0 H TRP A 37 5.225 2.373 -8.567 1.00 0.00 H new ATOM 0 HA TRP A 37 4.621 5.013 -9.650 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.968 3.223 -7.802 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.466 4.814 -8.337 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.873 3.383 -11.345 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.128 2.191 -12.808 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.057 3.120 -7.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.502 1.287 -12.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.076 2.094 -8.649 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.357 1.188 -10.884 1.00 0.00 H new ATOM 597 N ILE A 38 4.475 6.236 -7.352 1.00 0.00 N ATOM 598 CA ILE A 38 4.643 7.010 -6.126 1.00 0.00 C ATOM 599 C ILE A 38 3.259 7.431 -5.666 1.00 0.00 C ATOM 600 O ILE A 38 2.570 8.183 -6.358 1.00 0.00 O ATOM 601 CB ILE A 38 5.525 8.256 -6.277 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.937 7.888 -6.718 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.566 8.987 -4.948 1.00 0.00 C ATOM 604 CD1 ILE A 38 7.765 9.110 -7.025 1.00 0.00 C ATOM 0 H ILE A 38 4.006 6.751 -8.097 1.00 0.00 H new ATOM 0 HA ILE A 38 5.156 6.375 -5.404 1.00 0.00 H new ATOM 0 HB ILE A 38 5.100 8.899 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.423 7.308 -5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.887 7.251 -7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.190 9.876 -5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.556 9.281 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.982 8.330 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.764 8.804 -7.335 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.293 9.677 -7.828 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.837 9.734 -6.134 1.00 0.00 H new ATOM 616 N VAL A 39 2.859 6.956 -4.494 1.00 0.00 N ATOM 617 CA VAL A 39 1.527 7.252 -3.999 1.00 0.00 C ATOM 618 C VAL A 39 1.524 7.947 -2.640 1.00 0.00 C ATOM 619 O VAL A 39 2.160 7.500 -1.690 1.00 0.00 O ATOM 620 CB VAL A 39 0.722 5.947 -3.924 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.658 6.224 -3.369 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.621 5.310 -5.309 1.00 0.00 C ATOM 0 H VAL A 39 3.428 6.374 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 39 1.070 7.952 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 39 1.234 5.251 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.223 5.293 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.569 6.649 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.177 6.929 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.048 4.385 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.122 5.999 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.621 5.091 -5.683 1.00 0.00 H new ATOM 632 N ASP A 40 0.798 9.054 -2.535 1.00 0.00 N ATOM 633 CA ASP A 40 0.760 9.772 -1.267 1.00 0.00 C ATOM 634 C ASP A 40 -0.431 9.337 -0.423 1.00 0.00 C ATOM 635 O ASP A 40 -1.474 8.957 -0.953 1.00 0.00 O ATOM 636 CB ASP A 40 0.737 11.284 -1.484 1.00 0.00 C ATOM 637 CG ASP A 40 2.054 11.817 -2.041 1.00 0.00 C ATOM 638 OD1 ASP A 40 3.016 11.090 -2.002 1.00 0.00 O ATOM 639 OD2 ASP A 40 2.103 12.953 -2.457 1.00 0.00 O ATOM 0 H ASP A 40 0.244 9.464 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 40 1.672 9.522 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.072 11.537 -2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.520 11.780 -0.538 1.00 0.00 H new ATOM 644 N MET A 41 -0.279 9.401 0.899 1.00 0.00 N ATOM 645 CA MET A 41 -1.364 9.014 1.791 1.00 0.00 C ATOM 646 C MET A 41 -1.630 9.919 2.991 1.00 0.00 C ATOM 647 O MET A 41 -0.729 10.332 3.720 1.00 0.00 O ATOM 648 CB MET A 41 -1.109 7.602 2.290 1.00 0.00 C ATOM 649 CG MET A 41 -2.161 7.074 3.255 1.00 0.00 C ATOM 650 SD MET A 41 -1.937 5.321 3.607 1.00 0.00 S ATOM 651 CE MET A 41 -0.466 5.339 4.607 1.00 0.00 C ATOM 0 H MET A 41 0.572 9.712 1.368 1.00 0.00 H new ATOM 0 HA MET A 41 -2.262 9.100 1.180 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.052 6.932 1.432 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.137 7.574 2.782 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.115 7.639 4.186 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.153 7.235 2.833 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.231 4.324 4.926 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.365 5.738 4.025 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.629 5.966 5.483 1.00 0.00 H new ATOM 661 N GLU A 42 -2.905 10.244 3.183 1.00 0.00 N ATOM 662 CA GLU A 42 -3.324 11.040 4.330 1.00 0.00 C ATOM 663 C GLU A 42 -3.720 10.155 5.506 1.00 0.00 C ATOM 664 O GLU A 42 -4.536 9.244 5.353 1.00 0.00 O ATOM 665 CB GLU A 42 -4.501 11.945 3.964 1.00 0.00 C ATOM 666 CG GLU A 42 -4.956 12.849 5.103 1.00 0.00 C ATOM 667 CD GLU A 42 -6.106 13.741 4.725 1.00 0.00 C ATOM 668 OE1 GLU A 42 -6.552 13.660 3.606 1.00 0.00 O ATOM 669 OE2 GLU A 42 -6.537 14.510 5.552 1.00 0.00 O ATOM 0 H GLU A 42 -3.664 9.969 2.560 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.472 11.654 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.221 12.563 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.340 11.325 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.246 12.233 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.117 13.465 5.427 1.00 0.00 H new ATOM 676 N GLY A 43 -3.131 10.415 6.671 1.00 0.00 N ATOM 677 CA GLY A 43 -3.445 9.693 7.893 1.00 0.00 C ATOM 678 C GLY A 43 -4.924 9.795 8.235 1.00 0.00 C ATOM 679 O GLY A 43 -5.434 10.883 8.515 1.00 0.00 O ATOM 0 H GLY A 43 -2.420 11.136 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.168 8.645 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.852 10.092 8.716 1.00 0.00 H new ATOM 683 N ALA A 44 -5.581 8.636 8.245 1.00 0.00 N ATOM 684 CA ALA A 44 -7.012 8.500 8.491 1.00 0.00 C ATOM 685 C ALA A 44 -7.448 9.072 9.850 1.00 0.00 C ATOM 686 O ALA A 44 -6.787 8.828 10.867 1.00 0.00 O ATOM 687 CB ALA A 44 -7.404 7.030 8.417 1.00 0.00 C ATOM 0 H ALA A 44 -5.118 7.743 8.077 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.521 9.078 7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.474 6.929 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.168 6.640 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.852 6.468 9.170 1.00 0.00 H new ATOM 693 N PRO A 45 -8.577 9.793 9.888 1.00 0.00 N ATOM 694 CA PRO A 45 -9.080 10.434 11.073 1.00 0.00 C ATOM 695 C PRO A 45 -9.567 9.443 12.100 1.00 0.00 C ATOM 696 O PRO A 45 -10.217 8.450 11.776 1.00 0.00 O ATOM 697 CB PRO A 45 -10.225 11.276 10.500 1.00 0.00 C ATOM 698 CG PRO A 45 -10.642 10.564 9.242 1.00 0.00 C ATOM 699 CD PRO A 45 -9.385 9.946 8.673 1.00 0.00 C ATOM 0 HA PRO A 45 -8.329 11.011 11.612 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.053 11.348 11.205 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.898 12.294 10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.389 9.800 9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.091 11.258 8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.579 8.992 8.183 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.905 10.590 7.936 1.00 0.00 H new ATOM 707 N GLY A 46 -9.246 9.740 13.353 1.00 0.00 N ATOM 708 CA GLY A 46 -9.603 8.881 14.465 1.00 0.00 C ATOM 709 C GLY A 46 -8.516 7.846 14.741 1.00 0.00 C ATOM 710 O GLY A 46 -8.630 7.091 15.707 1.00 0.00 O ATOM 0 H GLY A 46 -8.733 10.580 13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.766 9.486 15.357 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.543 8.374 14.248 1.00 0.00 H new ATOM 714 N THR A 47 -7.468 7.791 13.911 1.00 0.00 N ATOM 715 CA THR A 47 -6.424 6.809 14.142 1.00 0.00 C ATOM 716 C THR A 47 -5.198 7.475 14.716 1.00 0.00 C ATOM 717 O THR A 47 -5.084 8.699 14.762 1.00 0.00 O ATOM 718 CB THR A 47 -5.958 6.118 12.855 1.00 0.00 C ATOM 719 OG1 THR A 47 -5.215 7.052 12.063 1.00 0.00 O ATOM 720 CG2 THR A 47 -7.172 5.670 12.063 1.00 0.00 C ATOM 0 H THR A 47 -7.329 8.396 13.102 1.00 0.00 H new ATOM 0 HA THR A 47 -6.860 6.076 14.821 1.00 0.00 H new ATOM 0 HB THR A 47 -5.335 5.259 13.106 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.827 7.715 11.679 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.847 5.178 11.146 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.759 4.973 12.661 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.783 6.537 11.812 1.00 0.00 H new ATOM 728 N LEU A 48 -4.232 6.641 15.072 1.00 0.00 N ATOM 729 CA LEU A 48 -2.955 7.074 15.619 1.00 0.00 C ATOM 730 C LEU A 48 -2.077 7.784 14.588 1.00 0.00 C ATOM 731 O LEU A 48 -1.051 8.364 14.945 1.00 0.00 O ATOM 732 CB LEU A 48 -2.194 5.854 16.148 1.00 0.00 C ATOM 733 CG LEU A 48 -2.824 5.131 17.341 1.00 0.00 C ATOM 734 CD1 LEU A 48 -2.016 3.874 17.636 1.00 0.00 C ATOM 735 CD2 LEU A 48 -2.850 6.067 18.539 1.00 0.00 C ATOM 0 H LEU A 48 -4.315 5.628 14.987 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.173 7.785 16.416 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.084 5.139 15.333 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.191 6.172 16.431 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.850 4.840 17.117 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.455 3.350 18.485 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.025 3.222 16.762 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.988 4.149 17.872 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.298 5.555 19.391 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.832 6.366 18.790 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.438 6.952 18.297 1.00 0.00 H new ATOM 747 N TYR A 49 -2.469 7.733 13.312 1.00 0.00 N ATOM 748 CA TYR A 49 -1.703 8.320 12.239 1.00 0.00 C ATOM 749 C TYR A 49 -2.399 9.559 11.682 1.00 0.00 C ATOM 750 O TYR A 49 -1.876 10.158 10.741 1.00 0.00 O ATOM 751 CB TYR A 49 -1.523 7.227 11.188 1.00 0.00 C ATOM 752 CG TYR A 49 -0.835 6.062 11.858 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.539 6.021 12.052 1.00 0.00 C ATOM 754 CD2 TYR A 49 -1.637 5.030 12.317 1.00 0.00 C ATOM 755 CE1 TYR A 49 1.101 4.947 12.720 1.00 0.00 C ATOM 756 CE2 TYR A 49 -1.074 3.964 12.980 1.00 0.00 C ATOM 757 CZ TYR A 49 0.293 3.928 13.185 1.00 0.00 C ATOM 758 OH TYR A 49 0.807 2.858 13.874 1.00 0.00 O ATOM 0 H TYR A 49 -3.330 7.280 13.006 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.730 8.668 12.586 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.488 6.921 10.784 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.928 7.594 10.351 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.165 6.821 11.684 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.704 5.062 12.154 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.169 4.906 12.877 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.697 3.158 13.339 1.00 0.00 H new ATOM 0 HH TYR A 49 1.780 2.953 13.948 1.00 0.00 H new ATOM 768 N GLU A 50 -3.537 9.947 12.279 1.00 0.00 N ATOM 769 CA GLU A 50 -4.339 11.064 11.794 1.00 0.00 C ATOM 770 C GLU A 50 -3.631 12.371 11.512 1.00 0.00 C ATOM 771 O GLU A 50 -2.982 12.958 12.380 1.00 0.00 O ATOM 772 CB GLU A 50 -5.449 11.379 12.794 1.00 0.00 C ATOM 773 CG GLU A 50 -6.292 12.579 12.380 1.00 0.00 C ATOM 774 CD GLU A 50 -7.446 12.864 13.300 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.749 12.034 14.123 1.00 0.00 O ATOM 776 OE2 GLU A 50 -8.034 13.913 13.176 1.00 0.00 O ATOM 0 H GLU A 50 -3.920 9.492 13.108 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.689 10.698 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.094 10.507 12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.007 11.571 13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.652 13.460 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.676 12.410 11.374 1.00 0.00 H new ATOM 783 N GLY A 51 -3.796 12.827 10.272 1.00 0.00 N ATOM 784 CA GLY A 51 -3.237 14.093 9.821 1.00 0.00 C ATOM 785 C GLY A 51 -1.818 13.999 9.273 1.00 0.00 C ATOM 786 O GLY A 51 -1.307 14.983 8.735 1.00 0.00 O ATOM 0 H GLY A 51 -4.321 12.327 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.885 14.507 9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.245 14.796 10.654 1.00 0.00 H new ATOM 790 N GLU A 52 -1.176 12.839 9.392 1.00 0.00 N ATOM 791 CA GLU A 52 0.190 12.706 8.913 1.00 0.00 C ATOM 792 C GLU A 52 0.262 12.411 7.425 1.00 0.00 C ATOM 793 O GLU A 52 -0.650 11.833 6.834 1.00 0.00 O ATOM 794 CB GLU A 52 0.895 11.600 9.690 1.00 0.00 C ATOM 795 CG GLU A 52 1.057 11.855 11.179 1.00 0.00 C ATOM 796 CD GLU A 52 2.025 12.963 11.474 1.00 0.00 C ATOM 797 OE1 GLU A 52 2.980 13.104 10.747 1.00 0.00 O ATOM 798 OE2 GLU A 52 1.817 13.672 12.431 1.00 0.00 O ATOM 0 H GLU A 52 -1.573 11.996 9.807 1.00 0.00 H new ATOM 0 HA GLU A 52 0.686 13.663 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.339 10.672 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.882 11.445 9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.086 12.102 11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.398 10.941 11.665 1.00 0.00 H new ATOM 805 N LYS A 53 1.343 12.845 6.791 1.00 0.00 N ATOM 806 CA LYS A 53 1.477 12.546 5.374 1.00 0.00 C ATOM 807 C LYS A 53 2.465 11.415 5.180 1.00 0.00 C ATOM 808 O LYS A 53 3.591 11.465 5.676 1.00 0.00 O ATOM 809 CB LYS A 53 1.916 13.749 4.547 1.00 0.00 C ATOM 810 CG LYS A 53 1.955 13.373 3.073 1.00 0.00 C ATOM 811 CD LYS A 53 2.320 14.504 2.130 1.00 0.00 C ATOM 812 CE LYS A 53 2.271 13.937 0.722 1.00 0.00 C ATOM 813 NZ LYS A 53 2.593 14.908 -0.356 1.00 0.00 N ATOM 0 H LYS A 53 2.105 13.379 7.210 1.00 0.00 H new ATOM 0 HA LYS A 53 0.488 12.257 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.227 14.580 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.900 14.086 4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.672 12.563 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.978 12.983 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.623 15.335 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.314 14.890 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.968 13.101 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.274 13.535 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.501 14.442 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.935 15.712 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.568 15.250 -0.235 1.00 0.00 H new ATOM 827 N PHE A 54 2.036 10.405 4.440 1.00 0.00 N ATOM 828 CA PHE A 54 2.861 9.248 4.174 1.00 0.00 C ATOM 829 C PHE A 54 3.059 9.133 2.677 1.00 0.00 C ATOM 830 O PHE A 54 2.411 9.832 1.896 1.00 0.00 O ATOM 831 CB PHE A 54 2.175 7.996 4.692 1.00 0.00 C ATOM 832 CG PHE A 54 1.881 8.078 6.155 1.00 0.00 C ATOM 833 CD1 PHE A 54 2.884 7.917 7.087 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.593 8.350 6.591 1.00 0.00 C ATOM 835 CE1 PHE A 54 2.618 8.011 8.436 1.00 0.00 C ATOM 836 CE2 PHE A 54 0.320 8.435 7.939 1.00 0.00 C ATOM 837 CZ PHE A 54 1.334 8.263 8.859 1.00 0.00 C ATOM 0 H PHE A 54 1.111 10.368 4.011 1.00 0.00 H new ATOM 0 HA PHE A 54 3.823 9.356 4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.245 7.840 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.808 7.130 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.892 7.714 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.199 8.496 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.413 7.888 9.156 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.686 8.636 8.275 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.118 8.327 9.915 1.00 0.00 H new ATOM 847 N GLN A 55 3.964 8.259 2.276 1.00 0.00 N ATOM 848 CA GLN A 55 4.219 8.061 0.862 1.00 0.00 C ATOM 849 C GLN A 55 4.686 6.637 0.660 1.00 0.00 C ATOM 850 O GLN A 55 5.459 6.113 1.461 1.00 0.00 O ATOM 851 CB GLN A 55 5.246 9.067 0.348 1.00 0.00 C ATOM 852 CG GLN A 55 5.501 9.007 -1.145 1.00 0.00 C ATOM 853 CD GLN A 55 6.444 10.113 -1.581 1.00 0.00 C ATOM 854 OE1 GLN A 55 7.667 10.013 -1.445 1.00 0.00 O ATOM 855 NE2 GLN A 55 5.872 11.193 -2.101 1.00 0.00 N ATOM 0 H GLN A 55 4.528 7.682 2.900 1.00 0.00 H new ATOM 0 HA GLN A 55 3.306 8.227 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.910 10.072 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.188 8.902 0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.926 8.038 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.557 9.096 -1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.857 11.237 -2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.447 11.979 -2.405 1.00 0.00 H new ATOM 864 N LEU A 56 4.161 6.006 -0.383 1.00 0.00 N ATOM 865 CA LEU A 56 4.489 4.627 -0.673 1.00 0.00 C ATOM 866 C LEU A 56 4.938 4.375 -2.103 1.00 0.00 C ATOM 867 O LEU A 56 4.554 5.053 -3.056 1.00 0.00 O ATOM 868 CB LEU A 56 3.275 3.740 -0.394 1.00 0.00 C ATOM 869 CG LEU A 56 2.800 3.677 1.058 1.00 0.00 C ATOM 870 CD1 LEU A 56 1.684 4.697 1.273 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.339 2.268 1.365 1.00 0.00 C ATOM 0 H LEU A 56 3.507 6.433 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 56 5.332 4.386 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.447 4.091 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.509 2.727 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 56 3.614 3.926 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.345 4.653 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.059 5.697 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.851 4.470 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.998 2.214 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.519 2.000 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.167 1.574 1.219 1.00 0.00 H new ATOM 883 N LEU A 57 5.780 3.365 -2.234 1.00 0.00 N ATOM 884 CA LEU A 57 6.275 2.941 -3.520 1.00 0.00 C ATOM 885 C LEU A 57 5.571 1.662 -3.913 1.00 0.00 C ATOM 886 O LEU A 57 5.451 0.726 -3.123 1.00 0.00 O ATOM 887 CB LEU A 57 7.787 2.746 -3.452 1.00 0.00 C ATOM 888 CG LEU A 57 8.551 4.018 -3.097 1.00 0.00 C ATOM 889 CD1 LEU A 57 10.036 3.711 -2.983 1.00 0.00 C ATOM 890 CD2 LEU A 57 8.272 5.069 -4.167 1.00 0.00 C ATOM 0 H LEU A 57 6.136 2.820 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 57 6.072 3.700 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.013 1.978 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.141 2.376 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 57 8.222 4.407 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.578 4.622 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.195 2.966 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.402 3.325 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.812 5.985 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.602 4.697 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.203 5.277 -4.203 1.00 0.00 H new ATOM 902 N PHE A 58 5.120 1.628 -5.157 1.00 0.00 N ATOM 903 CA PHE A 58 4.434 0.460 -5.689 1.00 0.00 C ATOM 904 C PHE A 58 5.199 -0.098 -6.877 1.00 0.00 C ATOM 905 O PHE A 58 5.333 0.547 -7.916 1.00 0.00 O ATOM 906 CB PHE A 58 2.976 0.787 -6.024 1.00 0.00 C ATOM 907 CG PHE A 58 2.062 1.072 -4.862 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.098 2.251 -4.134 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.108 0.128 -4.515 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.221 2.447 -3.081 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.230 0.328 -3.467 1.00 0.00 C ATOM 912 CZ PHE A 58 0.289 1.495 -2.742 1.00 0.00 C ATOM 0 H PHE A 58 5.217 2.398 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 58 4.407 -0.319 -4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.965 1.653 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.560 -0.049 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.813 3.019 -4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.049 -0.790 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.270 3.365 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.499 -0.429 -3.218 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.388 1.661 -1.917 1.00 0.00 H new ATOM 922 N LYS A 59 5.739 -1.300 -6.703 1.00 0.00 N ATOM 923 CA LYS A 59 6.503 -1.944 -7.753 1.00 0.00 C ATOM 924 C LYS A 59 5.676 -3.018 -8.416 1.00 0.00 C ATOM 925 O LYS A 59 5.035 -3.823 -7.744 1.00 0.00 O ATOM 926 CB LYS A 59 7.761 -2.569 -7.172 1.00 0.00 C ATOM 927 CG LYS A 59 8.745 -1.575 -6.589 1.00 0.00 C ATOM 928 CD LYS A 59 9.972 -2.277 -6.036 1.00 0.00 C ATOM 929 CE LYS A 59 10.929 -1.286 -5.394 1.00 0.00 C ATOM 930 NZ LYS A 59 11.523 -0.357 -6.396 1.00 0.00 N ATOM 0 H LYS A 59 5.659 -1.843 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 59 6.777 -1.192 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.474 -3.276 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.262 -3.141 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.046 -0.863 -7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.262 -1.003 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.668 -3.022 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.481 -2.811 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.400 -0.710 -4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.726 -1.829 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.220 0.258 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.992 -0.907 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.772 0.228 -6.815 1.00 0.00 H new ATOM 944 N PHE A 60 5.718 -3.070 -9.739 1.00 0.00 N ATOM 945 CA PHE A 60 4.944 -4.082 -10.431 1.00 0.00 C ATOM 946 C PHE A 60 5.831 -4.869 -11.371 1.00 0.00 C ATOM 947 O PHE A 60 6.794 -4.335 -11.921 1.00 0.00 O ATOM 948 CB PHE A 60 3.871 -3.386 -11.243 1.00 0.00 C ATOM 949 CG PHE A 60 2.986 -2.551 -10.374 1.00 0.00 C ATOM 950 CD1 PHE A 60 1.926 -3.103 -9.690 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.237 -1.200 -10.221 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.122 -2.338 -8.880 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.437 -0.431 -9.411 1.00 0.00 C ATOM 954 CZ PHE A 60 1.377 -0.993 -8.742 1.00 0.00 C ATOM 0 H PHE A 60 6.261 -2.446 -10.336 1.00 0.00 H new ATOM 0 HA PHE A 60 4.503 -4.764 -9.704 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.337 -2.757 -12.002 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.271 -4.129 -11.769 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.722 -4.159 -9.792 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.067 -0.746 -10.742 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.294 -2.790 -8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.643 0.623 -9.299 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.747 -0.383 -8.111 1.00 0.00 H new ATOM 964 N SER A 61 5.522 -6.146 -11.534 1.00 0.00 N ATOM 965 CA SER A 61 6.291 -6.973 -12.447 1.00 0.00 C ATOM 966 C SER A 61 5.711 -6.838 -13.838 1.00 0.00 C ATOM 967 O SER A 61 4.686 -6.186 -14.043 1.00 0.00 O ATOM 968 CB SER A 61 6.275 -8.438 -12.056 1.00 0.00 C ATOM 969 OG SER A 61 5.040 -9.045 -12.321 1.00 0.00 O ATOM 0 H SER A 61 4.759 -6.624 -11.055 1.00 0.00 H new ATOM 0 HA SER A 61 7.325 -6.629 -12.410 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.060 -8.965 -12.598 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.503 -8.531 -10.994 1.00 0.00 H new ATOM 0 HG SER A 61 4.659 -9.390 -11.487 1.00 0.00 H new ATOM 975 N SER A 62 6.371 -7.491 -14.790 1.00 0.00 N ATOM 976 CA SER A 62 5.915 -7.548 -16.173 1.00 0.00 C ATOM 977 C SER A 62 4.716 -8.487 -16.324 1.00 0.00 C ATOM 978 O SER A 62 4.106 -8.539 -17.393 1.00 0.00 O ATOM 979 CB SER A 62 7.038 -8.012 -17.081 1.00 0.00 C ATOM 980 OG SER A 62 7.376 -9.349 -16.827 1.00 0.00 O ATOM 0 H SER A 62 7.240 -7.997 -14.622 1.00 0.00 H new ATOM 0 HA SER A 62 5.607 -6.543 -16.460 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.736 -7.902 -18.123 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.913 -7.379 -16.934 1.00 0.00 H new ATOM 0 HG SER A 62 8.101 -9.623 -17.427 1.00 0.00 H new ATOM 986 N ARG A 63 4.399 -9.246 -15.272 1.00 0.00 N ATOM 987 CA ARG A 63 3.279 -10.161 -15.253 1.00 0.00 C ATOM 988 C ARG A 63 2.103 -9.586 -14.481 1.00 0.00 C ATOM 989 O ARG A 63 0.973 -9.930 -14.825 1.00 0.00 O ATOM 990 CB ARG A 63 3.693 -11.484 -14.653 1.00 0.00 C ATOM 991 CG ARG A 63 4.648 -12.304 -15.502 1.00 0.00 C ATOM 992 CD ARG A 63 5.034 -13.515 -14.749 1.00 0.00 C ATOM 993 NE ARG A 63 5.892 -14.436 -15.462 1.00 0.00 N ATOM 994 CZ ARG A 63 6.409 -15.534 -14.878 1.00 0.00 C ATOM 995 NH1 ARG A 63 6.140 -15.781 -13.611 1.00 0.00 N ATOM 996 NH2 ARG A 63 7.180 -16.355 -15.572 1.00 0.00 N ATOM 0 H ARG A 63 4.929 -9.234 -14.400 1.00 0.00 H new ATOM 0 HA ARG A 63 2.962 -10.317 -16.284 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.160 -11.297 -13.686 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.798 -12.077 -14.465 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.174 -12.580 -16.444 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.532 -11.716 -15.751 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.539 -13.208 -13.833 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.128 -14.043 -14.452 1.00 0.00 H new ATOM 0 HE ARG A 63 6.113 -14.248 -16.440 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.545 -15.143 -13.082 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.527 -16.610 -13.160 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.384 -16.157 -16.552 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.570 -17.186 -15.127 1.00 0.00 H new ATOM 1010 N TYR A 64 2.363 -8.738 -13.472 1.00 0.00 N ATOM 1011 CA TYR A 64 1.286 -8.089 -12.717 1.00 0.00 C ATOM 1012 C TYR A 64 0.304 -7.480 -13.706 1.00 0.00 C ATOM 1013 O TYR A 64 0.745 -6.734 -14.579 1.00 0.00 O ATOM 1014 CB TYR A 64 1.798 -6.958 -11.814 1.00 0.00 C ATOM 1015 CG TYR A 64 0.633 -6.272 -11.130 1.00 0.00 C ATOM 1016 CD1 TYR A 64 0.141 -6.697 -9.906 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.008 -5.220 -11.781 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -0.956 -6.071 -9.339 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -1.092 -4.601 -11.220 1.00 0.00 C ATOM 1020 CZ TYR A 64 -1.578 -5.017 -10.005 1.00 0.00 C ATOM 1021 OH TYR A 64 -2.683 -4.394 -9.463 1.00 0.00 O ATOM 0 H TYR A 64 3.303 -8.489 -13.164 1.00 0.00 H new ATOM 0 HA TYR A 64 0.824 -8.849 -12.086 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.483 -7.360 -11.067 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.360 -6.235 -12.406 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.615 -7.520 -9.392 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.384 -4.881 -12.735 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.330 -6.400 -8.380 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.572 -3.785 -11.740 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.994 -3.691 -10.071 1.00 0.00 H new ATOM 1031 N PRO A 65 -1.014 -7.670 -13.563 1.00 0.00 N ATOM 1032 CA PRO A 65 -1.815 -8.319 -12.521 1.00 0.00 C ATOM 1033 C PRO A 65 -1.693 -9.806 -12.190 1.00 0.00 C ATOM 1034 O PRO A 65 -2.285 -10.240 -11.203 1.00 0.00 O ATOM 1035 CB PRO A 65 -3.222 -8.039 -13.073 1.00 0.00 C ATOM 1036 CG PRO A 65 -3.059 -7.836 -14.553 1.00 0.00 C ATOM 1037 CD PRO A 65 -1.745 -7.120 -14.703 1.00 0.00 C ATOM 0 HA PRO A 65 -1.489 -7.926 -11.558 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.894 -8.872 -12.866 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.655 -7.155 -12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.053 -8.788 -15.084 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.879 -7.247 -14.964 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.259 -7.340 -15.653 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.853 -6.037 -14.643 1.00 0.00 H new ATOM 1045 N PHE A 66 -0.986 -10.591 -12.991 1.00 0.00 N ATOM 1046 CA PHE A 66 -0.819 -12.020 -12.728 1.00 0.00 C ATOM 1047 C PHE A 66 0.022 -12.311 -11.474 1.00 0.00 C ATOM 1048 O PHE A 66 -0.419 -13.056 -10.598 1.00 0.00 O ATOM 1049 CB PHE A 66 -0.242 -12.703 -13.969 1.00 0.00 C ATOM 1050 CG PHE A 66 -0.006 -14.176 -13.849 1.00 0.00 C ATOM 1051 CD1 PHE A 66 -1.061 -15.071 -13.937 1.00 0.00 C ATOM 1052 CD2 PHE A 66 1.272 -14.670 -13.659 1.00 0.00 C ATOM 1053 CE1 PHE A 66 -0.839 -16.431 -13.831 1.00 0.00 C ATOM 1054 CE2 PHE A 66 1.499 -16.026 -13.553 1.00 0.00 C ATOM 1055 CZ PHE A 66 0.441 -16.909 -13.640 1.00 0.00 C ATOM 0 H PHE A 66 -0.515 -10.263 -13.834 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.804 -12.435 -12.514 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.920 -12.529 -14.805 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.703 -12.222 -14.220 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.065 -14.702 -14.090 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.104 -13.984 -13.593 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.668 -17.120 -13.898 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.502 -16.397 -13.402 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.615 -17.972 -13.559 1.00 0.00 H new ATOM 1065 N ASP A 67 1.235 -11.758 -11.402 1.00 0.00 N ATOM 1066 CA ASP A 67 2.099 -11.911 -10.226 1.00 0.00 C ATOM 1067 C ASP A 67 2.027 -10.725 -9.270 1.00 0.00 C ATOM 1068 O ASP A 67 1.673 -9.619 -9.673 1.00 0.00 O ATOM 1069 CB ASP A 67 3.557 -12.172 -10.606 1.00 0.00 C ATOM 1070 CG ASP A 67 3.785 -13.582 -11.137 1.00 0.00 C ATOM 1071 OD1 ASP A 67 2.960 -14.424 -10.883 1.00 0.00 O ATOM 1072 OD2 ASP A 67 4.795 -13.818 -11.755 1.00 0.00 O ATOM 0 H ASP A 67 1.644 -11.196 -12.149 1.00 0.00 H new ATOM 0 HA ASP A 67 1.709 -12.786 -9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.866 -11.450 -11.362 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.190 -12.010 -9.733 1.00 0.00 H new ATOM 1077 N SER A 68 2.368 -10.980 -8.005 1.00 0.00 N ATOM 1078 CA SER A 68 2.321 -9.991 -6.929 1.00 0.00 C ATOM 1079 C SER A 68 3.237 -8.793 -7.096 1.00 0.00 C ATOM 1080 O SER A 68 4.376 -8.954 -7.538 1.00 0.00 O ATOM 1081 CB SER A 68 2.714 -10.598 -5.594 1.00 0.00 C ATOM 1082 OG SER A 68 2.731 -9.632 -4.568 1.00 0.00 O ATOM 0 H SER A 68 2.690 -11.897 -7.695 1.00 0.00 H new ATOM 0 HA SER A 68 1.284 -9.659 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.014 -11.392 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.699 -11.057 -5.679 1.00 0.00 H new ATOM 0 HG SER A 68 2.986 -10.057 -3.723 1.00 0.00 H new ATOM 1088 N PRO A 69 2.765 -7.591 -6.758 1.00 0.00 N ATOM 1089 CA PRO A 69 3.532 -6.380 -6.725 1.00 0.00 C ATOM 1090 C PRO A 69 4.281 -6.344 -5.394 1.00 0.00 C ATOM 1091 O PRO A 69 4.163 -7.281 -4.594 1.00 0.00 O ATOM 1092 CB PRO A 69 2.434 -5.325 -6.847 1.00 0.00 C ATOM 1093 CG PRO A 69 1.277 -5.941 -6.119 1.00 0.00 C ATOM 1094 CD PRO A 69 1.342 -7.420 -6.442 1.00 0.00 C ATOM 0 HA PRO A 69 4.295 -6.250 -7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.734 -4.379 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.189 -5.119 -7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.352 -5.769 -5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.331 -5.508 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.032 -8.038 -5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.701 -7.684 -7.283 1.00 0.00 H new ATOM 1102 N GLN A 70 5.063 -5.284 -5.193 1.00 0.00 N ATOM 1103 CA GLN A 70 5.801 -5.047 -3.952 1.00 0.00 C ATOM 1104 C GLN A 70 5.510 -3.639 -3.451 1.00 0.00 C ATOM 1105 O GLN A 70 5.679 -2.659 -4.176 1.00 0.00 O ATOM 1106 CB GLN A 70 7.306 -5.237 -4.141 1.00 0.00 C ATOM 1107 CG GLN A 70 8.116 -5.021 -2.874 1.00 0.00 C ATOM 1108 CD GLN A 70 9.595 -5.275 -3.087 1.00 0.00 C ATOM 1109 OE1 GLN A 70 10.059 -5.417 -4.222 1.00 0.00 O ATOM 1110 NE2 GLN A 70 10.347 -5.336 -1.994 1.00 0.00 N ATOM 0 H GLN A 70 5.204 -4.557 -5.895 1.00 0.00 H new ATOM 0 HA GLN A 70 5.470 -5.779 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.492 -6.245 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.657 -4.546 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.972 -3.999 -2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.745 -5.682 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.922 -5.213 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.350 -5.506 -2.074 1.00 0.00 H new ATOM 1119 N VAL A 71 5.054 -3.516 -2.206 1.00 0.00 N ATOM 1120 CA VAL A 71 4.713 -2.181 -1.723 1.00 0.00 C ATOM 1121 C VAL A 71 5.462 -1.803 -0.453 1.00 0.00 C ATOM 1122 O VAL A 71 5.468 -2.565 0.515 1.00 0.00 O ATOM 1123 CB VAL A 71 3.206 -2.074 -1.470 1.00 0.00 C ATOM 1124 CG1 VAL A 71 2.886 -0.669 -0.988 1.00 0.00 C ATOM 1125 CG2 VAL A 71 2.473 -2.449 -2.743 1.00 0.00 C ATOM 0 H VAL A 71 4.917 -4.280 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 71 5.015 -1.484 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 71 2.878 -2.762 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.815 -0.582 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.429 -0.469 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.184 0.053 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.398 -2.378 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.763 -1.769 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.730 -3.471 -3.023 1.00 0.00 H new ATOM 1135 N MET A 72 6.104 -0.633 -0.472 1.00 0.00 N ATOM 1136 CA MET A 72 6.881 -0.164 0.676 1.00 0.00 C ATOM 1137 C MET A 72 6.706 1.320 1.010 1.00 0.00 C ATOM 1138 O MET A 72 6.390 2.140 0.156 1.00 0.00 O ATOM 1139 CB MET A 72 8.369 -0.440 0.434 1.00 0.00 C ATOM 1140 CG MET A 72 8.742 -1.913 0.280 1.00 0.00 C ATOM 1141 SD MET A 72 10.510 -2.188 0.044 1.00 0.00 S ATOM 1142 CE MET A 72 11.153 -1.877 1.685 1.00 0.00 C ATOM 0 H MET A 72 6.101 0.005 -1.268 1.00 0.00 H new ATOM 0 HA MET A 72 6.496 -0.718 1.532 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.679 0.092 -0.465 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.939 -0.023 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.413 -2.457 1.165 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.201 -2.330 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.213 -2.131 1.715 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.025 -0.823 1.932 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.613 -2.488 2.409 1.00 0.00 H new ATOM 1152 N PHE A 73 6.928 1.685 2.266 1.00 0.00 N ATOM 1153 CA PHE A 73 6.875 3.090 2.674 1.00 0.00 C ATOM 1154 C PHE A 73 8.183 3.800 2.346 1.00 0.00 C ATOM 1155 O PHE A 73 9.255 3.196 2.388 1.00 0.00 O ATOM 1156 CB PHE A 73 6.557 3.306 4.159 1.00 0.00 C ATOM 1157 CG PHE A 73 5.134 3.103 4.573 1.00 0.00 C ATOM 1158 CD1 PHE A 73 4.244 4.152 4.425 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.676 1.916 5.112 1.00 0.00 C ATOM 1160 CE1 PHE A 73 2.927 4.015 4.796 1.00 0.00 C ATOM 1161 CE2 PHE A 73 3.350 1.774 5.484 1.00 0.00 C ATOM 1162 CZ PHE A 73 2.473 2.823 5.325 1.00 0.00 C ATOM 0 H PHE A 73 7.146 1.034 3.020 1.00 0.00 H new ATOM 0 HA PHE A 73 6.049 3.514 2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.182 2.631 4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.849 4.322 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.588 5.089 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.360 1.090 5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.245 4.843 4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.003 0.839 5.899 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.437 2.715 5.612 1.00 0.00 H new ATOM 1172 N THR A 74 8.095 5.082 2.011 1.00 0.00 N ATOM 1173 CA THR A 74 9.286 5.864 1.693 1.00 0.00 C ATOM 1174 C THR A 74 9.184 7.306 2.179 1.00 0.00 C ATOM 1175 O THR A 74 8.100 7.880 2.279 1.00 0.00 O ATOM 1176 CB THR A 74 9.536 5.876 0.175 1.00 0.00 C ATOM 1177 OG1 THR A 74 10.782 6.528 -0.115 1.00 0.00 O ATOM 1178 CG2 THR A 74 8.413 6.630 -0.518 1.00 0.00 C ATOM 0 H THR A 74 7.218 5.600 1.952 1.00 0.00 H new ATOM 0 HA THR A 74 10.115 5.383 2.211 1.00 0.00 H new ATOM 0 HB THR A 74 9.573 4.847 -0.184 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.933 6.529 -1.083 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.590 6.639 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.463 6.138 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.380 7.655 -0.148 1.00 0.00 H new ATOM 1186 N GLY A 75 10.340 7.887 2.476 1.00 0.00 N ATOM 1187 CA GLY A 75 10.413 9.255 2.970 1.00 0.00 C ATOM 1188 C GLY A 75 10.755 9.248 4.451 1.00 0.00 C ATOM 1189 O GLY A 75 11.028 8.197 5.027 1.00 0.00 O ATOM 0 H GLY A 75 11.246 7.427 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.168 9.812 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.461 9.761 2.809 1.00 0.00 H new ATOM 1193 N GLU A 76 10.778 10.429 5.058 1.00 0.00 N ATOM 1194 CA GLU A 76 11.083 10.537 6.478 1.00 0.00 C ATOM 1195 C GLU A 76 9.926 10.100 7.370 1.00 0.00 C ATOM 1196 O GLU A 76 10.132 9.487 8.421 1.00 0.00 O ATOM 1197 CB GLU A 76 11.465 11.979 6.819 1.00 0.00 C ATOM 1198 CG GLU A 76 12.786 12.436 6.220 1.00 0.00 C ATOM 1199 CD GLU A 76 13.107 13.870 6.537 1.00 0.00 C ATOM 1200 OE1 GLU A 76 12.259 14.544 7.072 1.00 0.00 O ATOM 1201 OE2 GLU A 76 14.201 14.293 6.246 1.00 0.00 O ATOM 0 H GLU A 76 10.591 11.317 4.593 1.00 0.00 H new ATOM 0 HA GLU A 76 11.917 9.862 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.673 12.644 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.516 12.082 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.588 11.799 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.753 12.307 5.138 1.00 0.00 H new ATOM 1208 N ASN A 77 8.694 10.375 6.948 1.00 0.00 N ATOM 1209 CA ASN A 77 7.558 10.058 7.802 1.00 0.00 C ATOM 1210 C ASN A 77 7.097 8.621 7.604 1.00 0.00 C ATOM 1211 O ASN A 77 6.176 8.340 6.838 1.00 0.00 O ATOM 1212 CB ASN A 77 6.433 11.047 7.549 1.00 0.00 C ATOM 1213 CG ASN A 77 5.316 10.966 8.556 1.00 0.00 C ATOM 1214 OD1 ASN A 77 5.152 9.972 9.273 1.00 0.00 O ATOM 1215 ND2 ASN A 77 4.564 12.035 8.633 1.00 0.00 N ATOM 0 H ASN A 77 8.463 10.802 6.051 1.00 0.00 H new ATOM 0 HA ASN A 77 7.868 10.147 8.843 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.842 12.057 7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.026 10.873 6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.801 12.074 9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.742 12.829 8.018 1.00 0.00 H new ATOM 1222 N ILE A 78 7.782 7.723 8.298 1.00 0.00 N ATOM 1223 CA ILE A 78 7.483 6.297 8.295 1.00 0.00 C ATOM 1224 C ILE A 78 6.632 5.959 9.523 1.00 0.00 C ATOM 1225 O ILE A 78 7.034 6.319 10.630 1.00 0.00 O ATOM 1226 CB ILE A 78 8.773 5.456 8.302 1.00 0.00 C ATOM 1227 CG1 ILE A 78 9.653 5.846 7.112 1.00 0.00 C ATOM 1228 CG2 ILE A 78 8.430 3.976 8.250 1.00 0.00 C ATOM 1229 CD1 ILE A 78 8.980 5.653 5.774 1.00 0.00 C ATOM 0 H ILE A 78 8.576 7.969 8.890 1.00 0.00 H new ATOM 0 HA ILE A 78 6.934 6.058 7.384 1.00 0.00 H new ATOM 0 HB ILE A 78 9.324 5.651 9.222 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.946 6.891 7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.568 5.254 7.138 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.349 3.389 8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.826 3.712 9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.869 3.764 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.662 5.950 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.711 4.604 5.650 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.080 6.266 5.728 1.00 0.00 H new ATOM 1241 N PRO A 79 5.471 5.305 9.380 1.00 0.00 N ATOM 1242 CA PRO A 79 4.617 4.943 10.492 1.00 0.00 C ATOM 1243 C PRO A 79 5.278 4.141 11.601 1.00 0.00 C ATOM 1244 O PRO A 79 5.963 3.152 11.342 1.00 0.00 O ATOM 1245 CB PRO A 79 3.582 4.064 9.788 1.00 0.00 C ATOM 1246 CG PRO A 79 3.545 4.568 8.384 1.00 0.00 C ATOM 1247 CD PRO A 79 4.965 4.969 8.041 1.00 0.00 C ATOM 0 HA PRO A 79 4.255 5.830 11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.867 3.012 9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.605 4.146 10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.183 3.797 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.868 5.417 8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.525 4.158 7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.004 5.817 7.357 1.00 0.00 H new ATOM 1255 N VAL A 80 5.056 4.558 12.843 1.00 0.00 N ATOM 1256 CA VAL A 80 5.542 3.765 13.961 1.00 0.00 C ATOM 1257 C VAL A 80 4.418 2.769 14.133 1.00 0.00 C ATOM 1258 O VAL A 80 3.317 3.154 14.523 1.00 0.00 O ATOM 1259 CB VAL A 80 5.798 4.594 15.229 1.00 0.00 C ATOM 1260 CG1 VAL A 80 6.252 3.677 16.355 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.856 5.646 14.934 1.00 0.00 C ATOM 0 H VAL A 80 4.559 5.412 13.095 1.00 0.00 H new ATOM 0 HA VAL A 80 6.516 3.310 13.779 1.00 0.00 H new ATOM 0 HB VAL A 80 4.880 5.094 15.539 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.433 4.267 17.254 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.477 2.937 16.556 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.171 3.169 16.063 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.041 6.237 15.831 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.780 5.157 14.625 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.506 6.299 14.135 1.00 0.00 H new ATOM 1271 N HIS A 81 4.701 1.506 13.861 1.00 0.00 N ATOM 1272 CA HIS A 81 3.684 0.466 13.841 1.00 0.00 C ATOM 1273 C HIS A 81 4.359 -0.890 13.958 1.00 0.00 C ATOM 1274 O HIS A 81 5.429 -1.058 13.382 1.00 0.00 O ATOM 1275 CB HIS A 81 2.920 0.566 12.509 1.00 0.00 C ATOM 1276 CG HIS A 81 1.697 -0.272 12.318 1.00 0.00 C ATOM 1277 ND1 HIS A 81 1.748 -1.620 12.041 1.00 0.00 N ATOM 1278 CD2 HIS A 81 0.387 0.054 12.339 1.00 0.00 C ATOM 1279 CE1 HIS A 81 0.515 -2.078 11.902 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -0.328 -1.082 12.072 1.00 0.00 N ATOM 0 H HIS A 81 5.641 1.172 13.648 1.00 0.00 H new ATOM 0 HA HIS A 81 2.990 0.587 14.673 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.631 1.608 12.371 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.618 0.320 11.709 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.023 1.034 12.532 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.245 -3.101 11.685 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -1.344 -1.146 12.014 1.00 0.00 H new ATOM 1288 N PRO A 82 3.796 -1.897 14.632 1.00 0.00 N ATOM 1289 CA PRO A 82 4.421 -3.200 14.737 1.00 0.00 C ATOM 1290 C PRO A 82 4.670 -3.910 13.402 1.00 0.00 C ATOM 1291 O PRO A 82 5.484 -4.832 13.348 1.00 0.00 O ATOM 1292 CB PRO A 82 3.391 -3.938 15.608 1.00 0.00 C ATOM 1293 CG PRO A 82 2.108 -3.163 15.470 1.00 0.00 C ATOM 1294 CD PRO A 82 2.540 -1.717 15.370 1.00 0.00 C ATOM 0 HA PRO A 82 5.431 -3.153 15.143 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.264 -4.968 15.275 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.715 -3.977 16.648 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.552 -3.472 14.585 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.455 -3.323 16.328 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.821 -1.100 14.831 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.689 -1.255 16.346 1.00 0.00 H new ATOM 1302 N HIS A 83 3.981 -3.505 12.335 1.00 0.00 N ATOM 1303 CA HIS A 83 4.198 -4.098 11.029 1.00 0.00 C ATOM 1304 C HIS A 83 4.835 -3.120 10.036 1.00 0.00 C ATOM 1305 O HIS A 83 4.944 -3.414 8.847 1.00 0.00 O ATOM 1306 CB HIS A 83 2.858 -4.633 10.537 1.00 0.00 C ATOM 1307 CG HIS A 83 2.400 -5.687 11.495 1.00 0.00 C ATOM 1308 ND1 HIS A 83 2.974 -6.938 11.544 1.00 0.00 N ATOM 1309 CD2 HIS A 83 1.456 -5.670 12.467 1.00 0.00 C ATOM 1310 CE1 HIS A 83 2.397 -7.647 12.498 1.00 0.00 C ATOM 1311 NE2 HIS A 83 1.475 -6.899 13.075 1.00 0.00 N ATOM 0 H HIS A 83 3.272 -2.772 12.356 1.00 0.00 H new ATOM 0 HA HIS A 83 4.916 -4.914 11.112 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.125 -3.828 10.477 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.958 -5.048 9.534 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.809 -4.842 12.717 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.639 -8.666 12.761 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.875 -7.188 13.847 1.00 0.00 H new ATOM 1319 N VAL A 84 5.286 -1.951 10.492 1.00 0.00 N ATOM 1320 CA VAL A 84 5.932 -1.029 9.561 1.00 0.00 C ATOM 1321 C VAL A 84 7.360 -0.784 10.020 1.00 0.00 C ATOM 1322 O VAL A 84 7.613 -0.334 11.137 1.00 0.00 O ATOM 1323 CB VAL A 84 5.193 0.316 9.421 1.00 0.00 C ATOM 1324 CG1 VAL A 84 5.971 1.206 8.466 1.00 0.00 C ATOM 1325 CG2 VAL A 84 3.786 0.091 8.884 1.00 0.00 C ATOM 0 H VAL A 84 5.221 -1.630 11.458 1.00 0.00 H new ATOM 0 HA VAL A 84 5.911 -1.496 8.577 1.00 0.00 H new ATOM 0 HB VAL A 84 5.119 0.793 10.398 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.457 2.161 8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.973 1.375 8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.042 0.721 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.275 1.049 8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.842 -0.388 7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.233 -0.549 9.571 1.00 0.00 H new ATOM 1335 N TYR A 85 8.296 -1.071 9.130 1.00 0.00 N ATOM 1336 CA TYR A 85 9.706 -0.934 9.428 1.00 0.00 C ATOM 1337 C TYR A 85 10.248 0.380 8.910 1.00 0.00 C ATOM 1338 O TYR A 85 9.731 0.927 7.938 1.00 0.00 O ATOM 1339 CB TYR A 85 10.446 -2.112 8.814 1.00 0.00 C ATOM 1340 CG TYR A 85 10.075 -3.418 9.484 1.00 0.00 C ATOM 1341 CD1 TYR A 85 8.933 -4.106 9.096 1.00 0.00 C ATOM 1342 CD2 TYR A 85 10.881 -3.935 10.486 1.00 0.00 C ATOM 1343 CE1 TYR A 85 8.593 -5.296 9.702 1.00 0.00 C ATOM 1344 CE2 TYR A 85 10.545 -5.129 11.093 1.00 0.00 C ATOM 1345 CZ TYR A 85 9.406 -5.808 10.705 1.00 0.00 C ATOM 1346 OH TYR A 85 9.078 -6.998 11.314 1.00 0.00 O ATOM 0 H TYR A 85 8.098 -1.404 8.186 1.00 0.00 H new ATOM 0 HA TYR A 85 9.852 -0.933 10.508 1.00 0.00 H new ATOM 0 HB2 TYR A 85 10.217 -2.171 7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.521 -1.951 8.900 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.306 -3.705 8.313 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.771 -3.405 10.792 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.702 -5.826 9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.174 -5.533 11.873 1.00 0.00 H new ATOM 0 HH TYR A 85 9.751 -7.215 11.992 1.00 0.00 H new ATOM 1356 N SER A 86 11.314 0.864 9.548 1.00 0.00 N ATOM 1357 CA SER A 86 11.961 2.136 9.218 1.00 0.00 C ATOM 1358 C SER A 86 12.602 2.158 7.832 1.00 0.00 C ATOM 1359 O SER A 86 12.913 3.227 7.307 1.00 0.00 O ATOM 1360 CB SER A 86 13.025 2.449 10.249 1.00 0.00 C ATOM 1361 OG SER A 86 14.086 1.537 10.163 1.00 0.00 O ATOM 0 H SER A 86 11.761 0.374 10.323 1.00 0.00 H new ATOM 0 HA SER A 86 11.171 2.887 9.220 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.397 3.462 10.098 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.591 2.415 11.248 1.00 0.00 H new ATOM 0 HG SER A 86 14.763 1.758 10.836 1.00 0.00 H new ATOM 1367 N ASN A 87 12.798 0.979 7.245 1.00 0.00 N ATOM 1368 CA ASN A 87 13.333 0.846 5.903 1.00 0.00 C ATOM 1369 C ASN A 87 12.213 0.756 4.861 1.00 0.00 C ATOM 1370 O ASN A 87 12.492 0.550 3.679 1.00 0.00 O ATOM 1371 CB ASN A 87 14.225 -0.376 5.829 1.00 0.00 C ATOM 1372 CG ASN A 87 15.479 -0.204 6.639 1.00 0.00 C ATOM 1373 OD1 ASN A 87 16.062 0.885 6.683 1.00 0.00 O ATOM 1374 ND2 ASN A 87 15.901 -1.260 7.287 1.00 0.00 N ATOM 0 H ASN A 87 12.587 0.088 7.694 1.00 0.00 H new ATOM 0 HA ASN A 87 13.920 1.736 5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.677 -1.247 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.488 -0.571 4.789 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.744 -1.205 7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.387 -2.138 7.221 1.00 0.00 H new ATOM 1381 N GLY A 88 10.955 0.908 5.289 1.00 0.00 N ATOM 1382 CA GLY A 88 9.808 0.879 4.395 1.00 0.00 C ATOM 1383 C GLY A 88 9.061 -0.450 4.335 1.00 0.00 C ATOM 1384 O GLY A 88 7.978 -0.518 3.756 1.00 0.00 O ATOM 0 H GLY A 88 10.710 1.054 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.109 1.656 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.145 1.133 3.390 1.00 0.00 H new ATOM 1388 N HIS A 89 9.602 -1.505 4.933 1.00 0.00 N ATOM 1389 CA HIS A 89 8.944 -2.803 4.842 1.00 0.00 C ATOM 1390 C HIS A 89 7.582 -2.829 5.524 1.00 0.00 C ATOM 1391 O HIS A 89 7.382 -2.307 6.621 1.00 0.00 O ATOM 1392 CB HIS A 89 9.853 -3.890 5.416 1.00 0.00 C ATOM 1393 CG HIS A 89 9.345 -5.284 5.247 1.00 0.00 C ATOM 1394 ND1 HIS A 89 8.350 -5.813 6.042 1.00 0.00 N ATOM 1395 CD2 HIS A 89 9.698 -6.262 4.382 1.00 0.00 C ATOM 1396 CE1 HIS A 89 8.112 -7.059 5.670 1.00 0.00 C ATOM 1397 NE2 HIS A 89 8.916 -7.354 4.666 1.00 0.00 N ATOM 0 H HIS A 89 10.469 -1.491 5.471 1.00 0.00 H new ATOM 0 HA HIS A 89 8.763 -2.997 3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 89 10.831 -3.814 4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 89 9.999 -3.698 6.479 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.453 -6.196 3.613 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.384 -7.722 6.112 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.951 -8.250 4.179 1.00 0.00 H new ATOM 1405 N ILE A 90 6.621 -3.437 4.836 1.00 0.00 N ATOM 1406 CA ILE A 90 5.266 -3.553 5.353 1.00 0.00 C ATOM 1407 C ILE A 90 4.891 -5.009 5.592 1.00 0.00 C ATOM 1408 O ILE A 90 4.647 -5.755 4.643 1.00 0.00 O ATOM 1409 CB ILE A 90 4.244 -2.952 4.369 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.546 -1.482 4.094 1.00 0.00 C ATOM 1411 CG2 ILE A 90 2.847 -3.098 4.944 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.691 -0.889 2.998 1.00 0.00 C ATOM 0 H ILE A 90 6.758 -3.857 3.917 1.00 0.00 H new ATOM 0 HA ILE A 90 5.242 -3.005 6.295 1.00 0.00 H new ATOM 0 HB ILE A 90 4.311 -3.491 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.397 -0.911 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.596 -1.379 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.122 -2.674 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.626 -4.154 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.789 -2.571 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.958 0.158 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.858 -1.436 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.640 -0.960 3.278 1.00 0.00 H new ATOM 1424 N CYS A 91 4.781 -5.420 6.854 1.00 0.00 N ATOM 1425 CA CYS A 91 4.438 -6.800 7.196 1.00 0.00 C ATOM 1426 C CYS A 91 2.927 -7.032 7.169 1.00 0.00 C ATOM 1427 O CYS A 91 2.295 -7.287 8.194 1.00 0.00 O ATOM 1428 CB CYS A 91 5.013 -7.165 8.564 1.00 0.00 C ATOM 1429 SG CYS A 91 4.694 -8.872 9.069 1.00 0.00 S ATOM 0 H CYS A 91 4.925 -4.813 7.661 1.00 0.00 H new ATOM 0 HA CYS A 91 4.881 -7.449 6.441 1.00 0.00 H new ATOM 0 HB2 CYS A 91 6.090 -6.997 8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.595 -6.492 9.313 1.00 0.00 H new ATOM 0 HG CYS A 91 3.421 -9.120 8.982 1.00 0.00 H new ATOM 1435 N LEU A 92 2.371 -6.937 5.969 1.00 0.00 N ATOM 1436 CA LEU A 92 0.956 -7.106 5.691 1.00 0.00 C ATOM 1437 C LEU A 92 0.793 -8.336 4.820 1.00 0.00 C ATOM 1438 O LEU A 92 1.324 -8.362 3.710 1.00 0.00 O ATOM 1439 CB LEU A 92 0.410 -5.853 4.992 1.00 0.00 C ATOM 1440 CG LEU A 92 -1.055 -5.871 4.561 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -1.946 -5.965 5.788 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -1.362 -4.604 3.776 1.00 0.00 C ATOM 0 H LEU A 92 2.917 -6.732 5.132 1.00 0.00 H new ATOM 0 HA LEU A 92 0.393 -7.240 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.554 -5.004 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.019 -5.668 4.107 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.244 -6.737 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.991 -5.978 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.718 -6.880 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.769 -5.104 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.407 -4.612 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.177 -3.733 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.722 -4.558 2.895 1.00 0.00 H new ATOM 1454 N SER A 93 0.035 -9.333 5.290 1.00 0.00 N ATOM 1455 CA SER A 93 -0.109 -10.577 4.533 1.00 0.00 C ATOM 1456 C SER A 93 -0.743 -10.383 3.175 1.00 0.00 C ATOM 1457 O SER A 93 -0.431 -11.109 2.240 1.00 0.00 O ATOM 1458 CB SER A 93 -0.997 -11.573 5.230 1.00 0.00 C ATOM 1459 OG SER A 93 -2.315 -11.097 5.231 1.00 0.00 O ATOM 0 H SER A 93 -0.477 -9.304 6.172 1.00 0.00 H new ATOM 0 HA SER A 93 0.917 -10.934 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.947 -12.538 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.654 -11.730 6.253 1.00 0.00 H new ATOM 0 HG SER A 93 -2.926 -11.825 4.991 1.00 0.00 H new ATOM 1465 N ILE A 94 -1.570 -9.360 3.034 1.00 0.00 N ATOM 1466 CA ILE A 94 -2.243 -9.014 1.791 1.00 0.00 C ATOM 1467 C ILE A 94 -1.238 -8.772 0.676 1.00 0.00 C ATOM 1468 O ILE A 94 -1.541 -9.020 -0.489 1.00 0.00 O ATOM 1469 CB ILE A 94 -3.168 -7.811 2.005 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -4.302 -8.296 2.915 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -3.668 -7.255 0.681 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -5.181 -7.210 3.478 1.00 0.00 C ATOM 0 H ILE A 94 -1.799 -8.729 3.802 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.862 -9.856 1.481 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.643 -6.980 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.926 -8.991 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.868 -8.856 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.321 -6.403 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.819 -6.936 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.222 -8.027 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.951 -7.655 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.577 -6.525 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.651 -6.663 2.661 1.00 0.00 H new ATOM 1484 N LEU A 95 -0.062 -8.250 1.017 1.00 0.00 N ATOM 1485 CA LEU A 95 0.983 -7.986 0.047 1.00 0.00 C ATOM 1486 C LEU A 95 1.754 -9.247 -0.369 1.00 0.00 C ATOM 1487 O LEU A 95 2.414 -9.238 -1.408 1.00 0.00 O ATOM 1488 CB LEU A 95 1.982 -6.985 0.642 1.00 0.00 C ATOM 1489 CG LEU A 95 1.433 -5.590 0.940 1.00 0.00 C ATOM 1490 CD1 LEU A 95 2.496 -4.746 1.625 1.00 0.00 C ATOM 1491 CD2 LEU A 95 1.015 -4.950 -0.361 1.00 0.00 C ATOM 0 H LEU A 95 0.187 -8.000 1.974 1.00 0.00 H new ATOM 0 HA LEU A 95 0.493 -7.589 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.378 -7.403 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.820 -6.885 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 95 0.574 -5.663 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.095 -3.754 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.791 -5.221 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.365 -4.657 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.620 -3.953 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.877 -4.876 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.245 -5.559 -0.835 1.00 0.00 H new ATOM 1503 N THR A 96 1.683 -10.322 0.427 1.00 0.00 N ATOM 1504 CA THR A 96 2.427 -11.550 0.159 1.00 0.00 C ATOM 1505 C THR A 96 1.547 -12.801 0.245 1.00 0.00 C ATOM 1506 O THR A 96 0.949 -13.228 -0.741 1.00 0.00 O ATOM 1507 CB THR A 96 3.615 -11.729 1.139 1.00 0.00 C ATOM 1508 OG1 THR A 96 3.133 -11.714 2.489 1.00 0.00 O ATOM 1509 CG2 THR A 96 4.644 -10.623 0.967 1.00 0.00 C ATOM 0 H THR A 96 1.110 -10.361 1.270 1.00 0.00 H new ATOM 0 HA THR A 96 2.798 -11.443 -0.860 1.00 0.00 H new ATOM 0 HB THR A 96 4.092 -12.684 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.885 -11.829 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 96 5.464 -10.777 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.030 -10.640 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.177 -9.658 1.162 1.00 0.00 H new ATOM 1517 N GLU A 97 1.430 -13.351 1.457 1.00 0.00 N ATOM 1518 CA GLU A 97 0.745 -14.616 1.737 1.00 0.00 C ATOM 1519 C GLU A 97 -0.728 -14.686 1.348 1.00 0.00 C ATOM 1520 O GLU A 97 -1.197 -15.725 0.880 1.00 0.00 O ATOM 1521 CB GLU A 97 0.849 -14.914 3.236 1.00 0.00 C ATOM 1522 CG GLU A 97 2.246 -15.277 3.724 1.00 0.00 C ATOM 1523 CD GLU A 97 2.324 -15.494 5.216 1.00 0.00 C ATOM 1524 OE1 GLU A 97 1.375 -15.198 5.905 1.00 0.00 O ATOM 1525 OE2 GLU A 97 3.341 -15.961 5.678 1.00 0.00 O ATOM 0 H GLU A 97 1.820 -12.917 2.293 1.00 0.00 H new ATOM 0 HA GLU A 97 1.252 -15.349 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.502 -14.041 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.172 -15.734 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.576 -16.183 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.938 -14.483 3.443 1.00 0.00 H new ATOM 1532 N ASP A 98 -1.446 -13.592 1.542 1.00 0.00 N ATOM 1533 CA ASP A 98 -2.854 -13.481 1.203 1.00 0.00 C ATOM 1534 C ASP A 98 -3.070 -12.695 -0.092 1.00 0.00 C ATOM 1535 O ASP A 98 -4.204 -12.315 -0.388 1.00 0.00 O ATOM 1536 CB ASP A 98 -3.635 -12.847 2.363 1.00 0.00 C ATOM 1537 CG ASP A 98 -3.697 -13.749 3.600 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -3.793 -14.940 3.419 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -3.649 -13.258 4.706 1.00 0.00 O ATOM 0 H ASP A 98 -1.058 -12.740 1.947 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.233 -14.489 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.170 -11.899 2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.649 -12.622 2.032 1.00 0.00 H new ATOM 1544 N TRP A 99 -2.006 -12.431 -0.859 1.00 0.00 N ATOM 1545 CA TRP A 99 -2.174 -11.695 -2.103 1.00 0.00 C ATOM 1546 C TRP A 99 -2.910 -12.544 -3.127 1.00 0.00 C ATOM 1547 O TRP A 99 -2.704 -13.754 -3.229 1.00 0.00 O ATOM 1548 CB TRP A 99 -0.844 -11.227 -2.707 1.00 0.00 C ATOM 1549 CG TRP A 99 -1.087 -10.387 -3.931 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -1.378 -9.056 -3.936 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -1.078 -10.798 -5.323 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -1.562 -8.615 -5.222 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -1.383 -9.666 -6.084 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -0.849 -12.019 -5.970 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -1.463 -9.711 -7.466 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -0.928 -12.064 -7.354 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -1.227 -10.940 -8.075 1.00 0.00 C ATOM 0 H TRP A 99 -1.049 -12.709 -0.644 1.00 0.00 H new ATOM 0 HA TRP A 99 -2.756 -10.808 -1.855 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -0.285 -10.651 -1.969 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -0.232 -12.091 -2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -1.453 -8.437 -3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.794 -7.660 -5.493 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -0.616 -12.908 -5.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -1.698 -8.831 -8.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.751 -12.997 -7.869 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -1.282 -11.009 -9.151 1.00 0.00 H new ATOM 1568 N SER A 100 -3.761 -11.882 -3.894 1.00 0.00 N ATOM 1569 CA SER A 100 -4.561 -12.490 -4.936 1.00 0.00 C ATOM 1570 C SER A 100 -4.633 -11.550 -6.127 1.00 0.00 C ATOM 1571 O SER A 100 -4.721 -10.341 -5.928 1.00 0.00 O ATOM 1572 CB SER A 100 -5.963 -12.774 -4.424 1.00 0.00 C ATOM 1573 OG SER A 100 -6.800 -13.257 -5.442 1.00 0.00 O ATOM 0 H SER A 100 -3.916 -10.878 -3.803 1.00 0.00 H new ATOM 0 HA SER A 100 -4.100 -13.431 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.914 -13.504 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.389 -11.862 -4.005 1.00 0.00 H new ATOM 0 HG SER A 100 -7.693 -13.430 -5.077 1.00 0.00 H new ATOM 1579 N PRO A 101 -4.623 -12.059 -7.367 1.00 0.00 N ATOM 1580 CA PRO A 101 -4.717 -11.278 -8.588 1.00 0.00 C ATOM 1581 C PRO A 101 -6.077 -10.614 -8.758 1.00 0.00 C ATOM 1582 O PRO A 101 -6.250 -9.758 -9.626 1.00 0.00 O ATOM 1583 CB PRO A 101 -4.431 -12.348 -9.649 1.00 0.00 C ATOM 1584 CG PRO A 101 -4.807 -13.651 -9.004 1.00 0.00 C ATOM 1585 CD PRO A 101 -4.434 -13.504 -7.546 1.00 0.00 C ATOM 0 HA PRO A 101 -4.035 -10.429 -8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.015 -12.173 -10.553 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.381 -12.342 -9.942 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.872 -13.852 -9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.274 -14.484 -9.463 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.079 -14.091 -6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.409 -13.816 -7.347 1.00 0.00 H new ATOM 1593 N ALA A 102 -7.047 -11.019 -7.937 1.00 0.00 N ATOM 1594 CA ALA A 102 -8.357 -10.399 -7.899 1.00 0.00 C ATOM 1595 C ALA A 102 -8.297 -9.064 -7.145 1.00 0.00 C ATOM 1596 O ALA A 102 -9.244 -8.279 -7.218 1.00 0.00 O ATOM 1597 CB ALA A 102 -9.357 -11.333 -7.242 1.00 0.00 C ATOM 0 H ALA A 102 -6.938 -11.791 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.680 -10.202 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.338 -10.858 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.417 -12.261 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.036 -11.552 -6.224 1.00 0.00 H new ATOM 1603 N LEU A 103 -7.206 -8.805 -6.416 1.00 0.00 N ATOM 1604 CA LEU A 103 -7.053 -7.566 -5.672 1.00 0.00 C ATOM 1605 C LEU A 103 -6.498 -6.471 -6.565 1.00 0.00 C ATOM 1606 O LEU A 103 -5.665 -6.726 -7.437 1.00 0.00 O ATOM 1607 CB LEU A 103 -6.086 -7.752 -4.495 1.00 0.00 C ATOM 1608 CG LEU A 103 -6.477 -8.787 -3.437 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -5.350 -8.897 -2.416 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -7.782 -8.368 -2.782 1.00 0.00 C ATOM 0 H LEU A 103 -6.417 -9.445 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.040 -7.286 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.111 -8.029 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.965 -6.789 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.628 -9.766 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.617 -9.632 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.434 -9.210 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.192 -7.928 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.063 -9.103 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.656 -7.394 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.565 -8.306 -3.538 1.00 0.00 H new ATOM 1622 N SER A 104 -6.969 -5.253 -6.339 1.00 0.00 N ATOM 1623 CA SER A 104 -6.512 -4.077 -7.062 1.00 0.00 C ATOM 1624 C SER A 104 -5.452 -3.329 -6.270 1.00 0.00 C ATOM 1625 O SER A 104 -5.229 -3.637 -5.098 1.00 0.00 O ATOM 1626 CB SER A 104 -7.682 -3.165 -7.330 1.00 0.00 C ATOM 1627 OG SER A 104 -8.160 -2.623 -6.130 1.00 0.00 O ATOM 0 H SER A 104 -7.686 -5.052 -5.642 1.00 0.00 H new ATOM 0 HA SER A 104 -6.071 -4.401 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.380 -2.364 -8.004 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.477 -3.719 -7.829 1.00 0.00 H new ATOM 0 HG SER A 104 -9.121 -2.451 -6.209 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.803 -2.353 -6.897 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.851 -1.525 -6.169 1.00 0.00 C ATOM 1635 C VAL A 105 -4.586 -0.749 -5.097 1.00 0.00 C ATOM 1636 O VAL A 105 -4.043 -0.580 -4.009 1.00 0.00 O ATOM 1637 CB VAL A 105 -3.083 -0.541 -7.060 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.289 0.408 -6.176 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -2.137 -1.313 -7.953 1.00 0.00 C ATOM 0 H VAL A 105 -4.915 -2.120 -7.884 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.113 -2.202 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.780 0.028 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.739 1.112 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.971 0.956 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.587 -0.163 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.588 -0.618 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.434 -1.875 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.706 -2.003 -8.576 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.782 -0.239 -5.397 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.528 0.456 -4.360 1.00 0.00 C ATOM 1651 C GLN A 106 -7.028 -0.485 -3.268 1.00 0.00 C ATOM 1652 O GLN A 106 -7.274 -0.030 -2.150 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.720 1.205 -4.941 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.844 0.368 -5.503 1.00 0.00 C ATOM 1655 CD GLN A 106 -9.966 1.226 -6.048 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.237 2.318 -5.539 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.629 0.734 -7.088 1.00 0.00 N ATOM 0 H GLN A 106 -6.235 -0.292 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.827 1.163 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.131 1.846 -4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.356 1.860 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.458 -0.273 -6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.233 -0.288 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.370 -0.173 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.398 1.263 -7.499 1.00 0.00 H new ATOM 1666 N SER A 107 -7.168 -1.785 -3.568 1.00 0.00 N ATOM 1667 CA SER A 107 -7.531 -2.760 -2.543 1.00 0.00 C ATOM 1668 C SER A 107 -6.383 -2.772 -1.547 1.00 0.00 C ATOM 1669 O SER A 107 -6.604 -2.764 -0.334 1.00 0.00 O ATOM 1670 CB SER A 107 -7.695 -4.172 -3.096 1.00 0.00 C ATOM 1671 OG SER A 107 -8.734 -4.278 -4.033 1.00 0.00 O ATOM 0 H SER A 107 -7.036 -2.176 -4.501 1.00 0.00 H new ATOM 0 HA SER A 107 -8.488 -2.476 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.760 -4.484 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.886 -4.859 -2.272 1.00 0.00 H new ATOM 0 HG SER A 107 -8.625 -3.590 -4.722 1.00 0.00 H new ATOM 1677 N VAL A 108 -5.165 -2.794 -2.094 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.927 -2.755 -1.333 1.00 0.00 C ATOM 1679 C VAL A 108 -3.728 -1.454 -0.577 1.00 0.00 C ATOM 1680 O VAL A 108 -3.289 -1.489 0.570 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.718 -2.988 -2.247 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.462 -2.717 -1.454 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -2.740 -4.423 -2.754 1.00 0.00 C ATOM 0 H VAL A 108 -5.016 -2.841 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.007 -3.557 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.750 -2.320 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.590 -2.878 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.470 -1.686 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.419 -3.392 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.882 -4.592 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.695 -5.109 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.659 -4.597 -3.314 1.00 0.00 H new ATOM 1693 N CYS A 109 -4.027 -0.326 -1.214 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.895 0.974 -0.578 1.00 0.00 C ATOM 1695 C CYS A 109 -4.765 1.062 0.660 1.00 0.00 C ATOM 1696 O CYS A 109 -4.295 1.480 1.720 1.00 0.00 O ATOM 1697 CB CYS A 109 -4.320 2.083 -1.533 1.00 0.00 C ATOM 1698 SG CYS A 109 -3.213 2.380 -2.930 1.00 0.00 S ATOM 0 H CYS A 109 -4.364 -0.290 -2.176 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.847 1.095 -0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.310 1.843 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.416 3.009 -0.966 1.00 0.00 H new ATOM 0 HG CYS A 109 -2.058 1.833 -2.692 1.00 0.00 H new ATOM 1704 N LEU A 110 -6.023 0.657 0.506 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.981 0.648 1.596 1.00 0.00 C ATOM 1706 C LEU A 110 -6.640 -0.416 2.632 1.00 0.00 C ATOM 1707 O LEU A 110 -6.973 -0.234 3.803 1.00 0.00 O ATOM 1708 CB LEU A 110 -8.383 0.447 1.015 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.873 1.646 0.190 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -10.188 1.313 -0.501 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -9.043 2.834 1.124 1.00 0.00 C ATOM 0 H LEU A 110 -6.402 0.326 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.944 1.604 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.385 -0.443 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.084 0.264 1.829 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.145 1.888 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.522 2.173 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.044 0.461 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.940 1.067 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.391 3.697 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.773 2.589 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.087 3.069 1.591 1.00 0.00 H new ATOM 1723 N SER A 111 -6.028 -1.528 2.211 1.00 0.00 N ATOM 1724 CA SER A 111 -5.573 -2.566 3.129 1.00 0.00 C ATOM 1725 C SER A 111 -4.463 -2.054 4.039 1.00 0.00 C ATOM 1726 O SER A 111 -4.446 -2.385 5.222 1.00 0.00 O ATOM 1727 CB SER A 111 -5.079 -3.769 2.358 1.00 0.00 C ATOM 1728 OG SER A 111 -6.127 -4.386 1.661 1.00 0.00 O ATOM 0 H SER A 111 -5.837 -1.729 1.229 1.00 0.00 H new ATOM 0 HA SER A 111 -6.422 -2.854 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.303 -3.462 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.624 -4.483 3.044 1.00 0.00 H new ATOM 0 HG SER A 111 -6.470 -3.774 0.977 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.535 -1.276 3.482 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.458 -0.648 4.241 1.00 0.00 C ATOM 1736 C ILE A 112 -3.041 0.387 5.195 1.00 0.00 C ATOM 1737 O ILE A 112 -2.586 0.495 6.334 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.400 -0.055 3.302 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.702 -1.228 2.601 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.415 0.811 4.075 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.170 -0.838 1.441 1.00 0.00 C ATOM 0 H ILE A 112 -3.511 -1.064 2.485 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.947 -1.401 4.841 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.861 0.597 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.094 -1.760 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.461 -1.926 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.326 1.221 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.951 1.627 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.086 0.206 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.621 -1.731 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.433 -0.334 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.955 -0.166 1.786 1.00 0.00 H new ATOM 1753 N ILE A 113 -4.006 1.175 4.722 1.00 0.00 N ATOM 1754 CA ILE A 113 -4.698 2.110 5.600 1.00 0.00 C ATOM 1755 C ILE A 113 -5.395 1.372 6.734 1.00 0.00 C ATOM 1756 O ILE A 113 -5.336 1.837 7.872 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.730 2.953 4.836 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -5.010 3.917 3.898 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.618 3.708 5.816 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -5.920 4.583 2.901 1.00 0.00 C ATOM 0 H ILE A 113 -4.321 1.184 3.752 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.941 2.778 6.010 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.365 2.297 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.512 4.684 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.232 3.375 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.346 4.302 5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.141 2.997 6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.004 4.366 6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -5.338 5.254 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.399 3.824 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.683 5.154 3.430 1.00 0.00 H new ATOM 1772 N SER A 114 -6.073 0.264 6.416 1.00 0.00 N ATOM 1773 CA SER A 114 -6.758 -0.572 7.391 1.00 0.00 C ATOM 1774 C SER A 114 -5.766 -1.108 8.418 1.00 0.00 C ATOM 1775 O SER A 114 -6.067 -1.120 9.613 1.00 0.00 O ATOM 1776 CB SER A 114 -7.457 -1.730 6.701 1.00 0.00 C ATOM 1777 OG SER A 114 -8.481 -1.277 5.857 1.00 0.00 O ATOM 0 H SER A 114 -6.159 -0.077 5.458 1.00 0.00 H new ATOM 0 HA SER A 114 -7.504 0.038 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 114 -6.732 -2.302 6.122 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.872 -2.405 7.449 1.00 0.00 H new ATOM 0 HG SER A 114 -8.089 -0.867 5.058 1.00 0.00 H new ATOM 1783 N MET A 115 -4.596 -1.541 7.949 1.00 0.00 N ATOM 1784 CA MET A 115 -3.506 -2.012 8.789 1.00 0.00 C ATOM 1785 C MET A 115 -3.120 -0.954 9.810 1.00 0.00 C ATOM 1786 O MET A 115 -3.006 -1.252 11.003 1.00 0.00 O ATOM 1787 CB MET A 115 -2.291 -2.364 7.932 1.00 0.00 C ATOM 1788 CG MET A 115 -1.081 -2.826 8.717 1.00 0.00 C ATOM 1789 SD MET A 115 0.383 -2.959 7.682 1.00 0.00 S ATOM 1790 CE MET A 115 0.634 -1.203 7.422 1.00 0.00 C ATOM 0 H MET A 115 -4.379 -1.573 6.953 1.00 0.00 H new ATOM 0 HA MET A 115 -3.845 -2.904 9.316 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.573 -3.148 7.229 1.00 0.00 H new ATOM 0 HB3 MET A 115 -2.013 -1.491 7.342 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.888 -2.126 9.530 1.00 0.00 H new ATOM 0 HG3 MET A 115 -1.292 -3.794 9.172 1.00 0.00 H new ATOM 0 HE1 MET A 115 1.642 -1.031 7.045 1.00 0.00 H new ATOM 0 HE2 MET A 115 -0.092 -0.835 6.697 1.00 0.00 H new ATOM 0 HE3 MET A 115 0.505 -0.673 8.366 1.00 0.00 H new ATOM 1800 N LEU A 116 -2.898 0.271 9.332 1.00 0.00 N ATOM 1801 CA LEU A 116 -2.555 1.359 10.229 1.00 0.00 C ATOM 1802 C LEU A 116 -3.710 1.731 11.165 1.00 0.00 C ATOM 1803 O LEU A 116 -3.498 1.913 12.363 1.00 0.00 O ATOM 1804 CB LEU A 116 -2.153 2.602 9.420 1.00 0.00 C ATOM 1805 CG LEU A 116 -0.847 2.542 8.610 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -0.720 3.823 7.805 1.00 0.00 C ATOM 1807 CD2 LEU A 116 0.346 2.371 9.527 1.00 0.00 C ATOM 0 H LEU A 116 -2.950 0.526 8.346 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.721 1.013 10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.965 2.828 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.080 3.442 10.111 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.872 1.684 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.202 3.798 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.572 3.915 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.699 4.677 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.259 2.331 8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.399 3.213 10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.240 1.445 10.093 1.00 0.00 H new ATOM 1819 N SER A 117 -4.951 1.775 10.673 1.00 0.00 N ATOM 1820 CA SER A 117 -6.061 2.167 11.541 1.00 0.00 C ATOM 1821 C SER A 117 -6.381 1.135 12.609 1.00 0.00 C ATOM 1822 O SER A 117 -6.918 1.475 13.664 1.00 0.00 O ATOM 1823 CB SER A 117 -7.321 2.389 10.730 1.00 0.00 C ATOM 1824 OG SER A 117 -7.815 1.176 10.240 1.00 0.00 O ATOM 0 H SER A 117 -5.207 1.552 9.711 1.00 0.00 H new ATOM 0 HA SER A 117 -5.736 3.086 12.030 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.077 2.872 11.349 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.111 3.063 9.900 1.00 0.00 H new ATOM 0 HG SER A 117 -7.070 0.559 10.083 1.00 0.00 H new ATOM 1830 N SER A 118 -6.056 -0.122 12.328 1.00 0.00 N ATOM 1831 CA SER A 118 -6.237 -1.215 13.264 1.00 0.00 C ATOM 1832 C SER A 118 -5.018 -1.483 14.141 1.00 0.00 C ATOM 1833 O SER A 118 -5.026 -2.494 14.843 1.00 0.00 O ATOM 1834 CB SER A 118 -6.604 -2.481 12.514 1.00 0.00 C ATOM 1835 OG SER A 118 -5.569 -2.892 11.666 1.00 0.00 O ATOM 0 H SER A 118 -5.656 -0.409 11.435 1.00 0.00 H new ATOM 0 HA SER A 118 -7.043 -0.911 13.932 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.830 -3.275 13.226 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.508 -2.310 11.930 1.00 0.00 H new ATOM 0 HG SER A 118 -5.585 -2.355 10.846 1.00 0.00 H new