USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 952 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 82 CYS SG : rot -6:sc= 0.85 USER MOD Set 1.2: A 100 GLN : amide:sc= -0.688! C(o=0.16!,f=-1.7!) USER MOD Set 2.1: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 TYR OH : rot 63:sc= 0.17 USER MOD Set 3.1: A 13 CYS SG : rot -59:sc= 0.231 USER MOD Set 3.2: A 16 GLN : amide:sc= 0.52 K(o=4.2,f=-0.44!) USER MOD Set 3.3: A 34 SER OG : rot -99:sc= 2 USER MOD Set 3.4: A 61 THR OG1 : rot -163:sc= 1.41 USER MOD Set 4.1: A 23 LYS NZ :NH3+ 170:sc= 1.93 (180deg=0.424) USER MOD Set 4.2: A 60 GLN : amide:sc= 0.0572 K(o=2,f=-7.6!) USER MOD Set 5.1: A 11 ASN : amide:sc= -0.235! X(o=0.17!,f=-0.27) USER MOD Set 5.2: A 43 HIS : no HD1:sc= -0.255! K(o=0.17!,f=-1.6) USER MOD Set 5.3: A 45 THR OG1 : rot 109:sc= 0.665 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.138 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.17) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.18) USER MOD Single : A 8 CYS SG : rot 86:sc= -0.506 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 15 SER OG : rot -120:sc= -0.268 USER MOD Single : A 17 MET CE :methyl 174:sc= -1.51 (180deg=-1.52) USER MOD Single : A 24 THR OG1 : rot 106:sc= 0.514 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.16) USER MOD Single : A 33 THR OG1 : rot 64:sc= 0.857 USER MOD Single : A 35 CYS SG : rot -98:sc= -0.0285 USER MOD Single : A 49 MET CE :methyl 157:sc= -0.733 (180deg=-2.57!) USER MOD Single : A 50 MET CE :methyl -102:sc= -0.124 (180deg=-2.78) USER MOD Single : A 58 SER OG : rot -71:sc= 1.3 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0721 X(o=-0.072,f=-0.51) USER MOD Single : A 69 ASN : amide:sc= 0.0452 X(o=0.045,f=-0.027) USER MOD Single : A 78 SER OG : rot 101:sc= 1.17 USER MOD Single : A 80 CYS SG : rot -56:sc= -0.186 USER MOD Single : A 85 ASN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 93 GLN : amide:sc= 0.599 K(o=0.6,f=-2) USER MOD Single : A 107 GLN : amide:sc= 0.0344 X(o=0.034,f=-0.19) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 67:sc= 1.27 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 2.49 (180deg=2.49) USER MOD Single : A 125 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.2) USER MOD Single : A 131 SER OG : rot 84:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.926 -2.307 1.455 1.00 0.00 N ATOM 2 CA MET A 1 1.709 -1.394 0.560 1.00 0.00 C ATOM 3 C MET A 1 2.979 -2.119 0.052 1.00 0.00 C ATOM 4 O MET A 1 3.282 -3.198 0.559 1.00 0.00 O ATOM 5 CB MET A 1 2.001 -0.052 1.291 1.00 0.00 C ATOM 6 CG MET A 1 2.089 1.165 0.354 1.00 0.00 C ATOM 7 SD MET A 1 0.597 1.487 -0.634 1.00 0.00 S ATOM 8 CE MET A 1 1.093 3.012 -1.484 1.00 0.00 C ATOM 0 H1 MET A 1 -0.039 -2.414 1.083 1.00 0.00 H new ATOM 0 H2 MET A 1 1.388 -3.238 1.491 1.00 0.00 H new ATOM 0 H3 MET A 1 0.885 -1.903 2.413 1.00 0.00 H new ATOM 0 HA MET A 1 1.127 -1.137 -0.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.218 0.126 2.028 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.939 -0.145 1.838 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.308 2.050 0.952 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.931 1.022 -0.324 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.284 3.346 -2.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.309 3.786 -0.747 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.984 2.822 -2.082 1.00 0.00 H new ATOM 18 N LYS A 2 3.733 -1.586 -0.933 1.00 0.00 N ATOM 19 CA LYS A 2 4.885 -2.307 -1.523 1.00 0.00 C ATOM 20 C LYS A 2 5.900 -2.570 -0.435 1.00 0.00 C ATOM 21 O LYS A 2 6.357 -1.607 0.175 1.00 0.00 O ATOM 22 CB LYS A 2 5.582 -1.551 -2.681 1.00 0.00 C ATOM 23 CG LYS A 2 4.644 -1.092 -3.798 1.00 0.00 C ATOM 24 CD LYS A 2 4.080 0.333 -3.579 1.00 0.00 C ATOM 25 CE LYS A 2 4.973 1.478 -4.102 1.00 0.00 C ATOM 26 NZ LYS A 2 4.618 1.857 -5.503 1.00 0.00 N ATOM 0 H LYS A 2 3.567 -0.664 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 2 4.489 -3.229 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.093 -0.679 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.348 -2.197 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.179 -1.121 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.815 -1.795 -3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.107 0.401 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.914 0.481 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.869 2.347 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.018 1.172 -4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.339 2.504 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.576 1.002 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.691 2.329 -5.511 1.00 0.00 H new ATOM 40 N LYS A 3 6.224 -3.823 -0.140 1.00 0.00 N ATOM 41 CA LYS A 3 7.066 -4.124 1.011 1.00 0.00 C ATOM 42 C LYS A 3 8.502 -4.120 0.542 1.00 0.00 C ATOM 43 O LYS A 3 8.802 -4.688 -0.509 1.00 0.00 O ATOM 44 CB LYS A 3 6.690 -5.451 1.685 1.00 0.00 C ATOM 45 CG LYS A 3 5.176 -5.692 1.808 1.00 0.00 C ATOM 46 CD LYS A 3 4.804 -7.017 2.490 1.00 0.00 C ATOM 47 CE LYS A 3 5.477 -7.221 3.855 1.00 0.00 C ATOM 48 NZ LYS A 3 4.861 -8.334 4.622 1.00 0.00 N ATOM 0 H LYS A 3 5.921 -4.638 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 3 6.918 -3.364 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.132 -6.271 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.132 -5.477 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.733 -4.870 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.734 -5.672 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.722 -7.058 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.078 -7.843 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.538 -7.426 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.407 -6.300 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.399 -8.491 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.878 -8.090 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.874 -9.201 4.047 1.00 0.00 H new ATOM 62 N VAL A 4 9.373 -3.536 1.347 1.00 0.00 N ATOM 63 CA VAL A 4 10.806 -3.536 1.127 1.00 0.00 C ATOM 64 C VAL A 4 11.468 -4.290 2.273 1.00 0.00 C ATOM 65 O VAL A 4 10.952 -4.314 3.395 1.00 0.00 O ATOM 66 CB VAL A 4 11.366 -2.109 0.975 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.828 -2.182 0.502 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.543 -1.235 0.010 1.00 0.00 C ATOM 0 H VAL A 4 9.095 -3.037 2.192 1.00 0.00 H new ATOM 0 HA VAL A 4 11.028 -4.040 0.186 1.00 0.00 H new ATOM 0 HB VAL A 4 11.304 -1.633 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.226 -1.173 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.421 -2.729 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.874 -2.695 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.990 -0.243 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.536 -1.693 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.521 -1.150 0.378 1.00 0.00 H new ATOM 78 N MET A 5 12.637 -4.851 1.999 1.00 0.00 N ATOM 79 CA MET A 5 13.478 -5.539 2.947 1.00 0.00 C ATOM 80 C MET A 5 14.862 -4.947 2.811 1.00 0.00 C ATOM 81 O MET A 5 15.314 -4.719 1.685 1.00 0.00 O ATOM 82 CB MET A 5 13.561 -7.028 2.592 1.00 0.00 C ATOM 83 CG MET A 5 12.797 -7.926 3.548 1.00 0.00 C ATOM 84 SD MET A 5 13.348 -7.766 5.263 1.00 0.00 S ATOM 85 CE MET A 5 12.285 -9.047 5.951 1.00 0.00 C ATOM 0 H MET A 5 13.037 -4.834 1.061 1.00 0.00 H new ATOM 0 HA MET A 5 13.080 -5.433 3.956 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.175 -7.174 1.583 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.608 -7.332 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.735 -7.688 3.490 1.00 0.00 H new ATOM 0 HG3 MET A 5 12.909 -8.963 3.232 1.00 0.00 H new ATOM 0 HE1 MET A 5 12.459 -9.126 7.024 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.241 -8.790 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.511 -10.001 5.475 1.00 0.00 H new ATOM 95 N PHE A 6 15.545 -4.798 3.941 1.00 0.00 N ATOM 96 CA PHE A 6 16.931 -4.380 4.017 1.00 0.00 C ATOM 97 C PHE A 6 17.685 -5.499 4.743 1.00 0.00 C ATOM 98 O PHE A 6 17.527 -5.682 5.951 1.00 0.00 O ATOM 99 CB PHE A 6 17.047 -3.018 4.692 1.00 0.00 C ATOM 100 CG PHE A 6 16.352 -1.938 3.889 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.998 -1.664 4.131 1.00 0.00 C ATOM 102 CD2 PHE A 6 16.998 -1.333 2.798 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.277 -0.839 3.264 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.284 -0.457 1.964 1.00 0.00 C ATOM 105 CZ PHE A 6 14.924 -0.203 2.195 1.00 0.00 C ATOM 0 H PHE A 6 15.131 -4.972 4.857 1.00 0.00 H new ATOM 0 HA PHE A 6 17.374 -4.237 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.612 -3.067 5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.099 -2.761 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.509 -2.094 4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.039 -1.541 2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.218 -0.691 3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.786 0.025 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.380 0.476 1.555 1.00 0.00 H new ATOM 115 N VAL A 7 18.439 -6.313 4.009 1.00 0.00 N ATOM 116 CA VAL A 7 19.028 -7.551 4.544 1.00 0.00 C ATOM 117 C VAL A 7 20.398 -7.219 5.135 1.00 0.00 C ATOM 118 O VAL A 7 21.170 -6.488 4.511 1.00 0.00 O ATOM 119 CB VAL A 7 19.111 -8.635 3.448 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.392 -10.032 4.014 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.825 -8.696 2.599 1.00 0.00 C ATOM 0 H VAL A 7 18.662 -6.140 3.029 1.00 0.00 H new ATOM 0 HA VAL A 7 18.397 -7.960 5.333 1.00 0.00 H new ATOM 0 HB VAL A 7 19.950 -8.339 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.439 -10.753 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.343 -10.024 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.594 -10.314 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.926 -9.472 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.975 -8.926 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.663 -7.733 2.114 1.00 0.00 H new ATOM 131 N CYS A 8 20.704 -7.724 6.333 1.00 0.00 N ATOM 132 CA CYS A 8 21.880 -7.303 7.087 1.00 0.00 C ATOM 133 C CYS A 8 23.139 -8.153 6.833 1.00 0.00 C ATOM 134 O CYS A 8 23.083 -9.243 6.266 1.00 0.00 O ATOM 135 CB CYS A 8 21.543 -7.326 8.590 1.00 0.00 C ATOM 136 SG CYS A 8 20.165 -6.205 8.998 1.00 0.00 S ATOM 0 H CYS A 8 20.143 -8.434 6.804 1.00 0.00 H new ATOM 0 HA CYS A 8 22.124 -6.298 6.742 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.284 -8.342 8.888 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.425 -7.040 9.164 1.00 0.00 H new ATOM 0 HG CYS A 8 19.035 -6.823 8.819 1.00 0.00 H new ATOM 142 N LYS A 9 24.270 -7.644 7.337 1.00 0.00 N ATOM 143 CA LYS A 9 25.583 -8.298 7.468 1.00 0.00 C ATOM 144 C LYS A 9 26.214 -7.702 8.741 1.00 0.00 C ATOM 145 O LYS A 9 25.472 -7.156 9.560 1.00 0.00 O ATOM 146 CB LYS A 9 26.402 -8.110 6.161 1.00 0.00 C ATOM 147 CG LYS A 9 26.727 -9.440 5.452 1.00 0.00 C ATOM 148 CD LYS A 9 27.672 -10.382 6.225 1.00 0.00 C ATOM 149 CE LYS A 9 27.924 -11.658 5.398 1.00 0.00 C ATOM 150 NZ LYS A 9 28.810 -12.629 6.099 1.00 0.00 N ATOM 0 H LYS A 9 24.295 -6.688 7.693 1.00 0.00 H new ATOM 0 HA LYS A 9 25.532 -9.380 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.844 -7.469 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.333 -7.593 6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.793 -9.967 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 9 27.175 -9.217 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.616 -9.878 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.234 -10.642 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.970 -12.137 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.374 -11.385 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.947 -13.468 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.731 -12.184 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.371 -12.913 6.998 1.00 0.00 H new ATOM 164 N ARG A 10 27.542 -7.783 8.932 1.00 0.00 N ATOM 165 CA ARG A 10 28.233 -7.220 10.110 1.00 0.00 C ATOM 166 C ARG A 10 27.763 -5.798 10.408 1.00 0.00 C ATOM 167 O ARG A 10 27.626 -5.004 9.476 1.00 0.00 O ATOM 168 CB ARG A 10 29.773 -7.284 9.921 1.00 0.00 C ATOM 169 CG ARG A 10 30.556 -6.562 11.040 1.00 0.00 C ATOM 170 CD ARG A 10 32.081 -6.539 10.886 1.00 0.00 C ATOM 171 NE ARG A 10 32.662 -7.877 10.663 1.00 0.00 N ATOM 172 CZ ARG A 10 33.091 -8.382 9.498 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.004 -7.681 8.372 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.597 -9.613 9.463 1.00 0.00 N ATOM 0 H ARG A 10 28.171 -8.242 8.273 1.00 0.00 H new ATOM 0 HA ARG A 10 27.974 -7.829 10.976 1.00 0.00 H new ATOM 0 HB2 ARG A 10 30.085 -8.328 9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 10 30.033 -6.840 8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.201 -5.533 11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.314 -7.037 11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 10 32.346 -5.891 10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 10 32.524 -6.102 11.781 1.00 0.00 H new ATOM 0 HE ARG A 10 32.746 -8.481 11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.606 -6.742 8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.336 -8.082 7.495 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.656 -10.165 10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.926 -10.004 8.580 1.00 0.00 H new ATOM 188 N ASN A 11 27.634 -5.491 11.699 1.00 0.00 N ATOM 189 CA ASN A 11 27.064 -4.281 12.281 1.00 0.00 C ATOM 190 C ASN A 11 25.776 -3.924 11.560 1.00 0.00 C ATOM 191 O ASN A 11 25.696 -2.955 10.811 1.00 0.00 O ATOM 192 CB ASN A 11 28.090 -3.143 12.387 1.00 0.00 C ATOM 193 CG ASN A 11 27.663 -2.149 13.466 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.541 -1.651 13.480 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.529 -1.884 14.427 1.00 0.00 N ATOM 0 H ASN A 11 27.952 -6.137 12.422 1.00 0.00 H new ATOM 0 HA ASN A 11 26.792 -4.470 13.319 1.00 0.00 H new ATOM 0 HB2 ASN A 11 29.073 -3.550 12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.180 -2.634 11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 11 28.268 -1.260 15.191 1.00 0.00 H new ATOM 0 HD22 ASN A 11 29.459 -2.303 14.406 1.00 0.00 H new ATOM 202 N SER A 12 24.770 -4.777 11.743 1.00 0.00 N ATOM 203 CA SER A 12 23.491 -4.774 11.042 1.00 0.00 C ATOM 204 C SER A 12 22.770 -3.433 11.039 1.00 0.00 C ATOM 205 O SER A 12 21.934 -3.187 10.174 1.00 0.00 O ATOM 206 CB SER A 12 22.611 -5.858 11.673 1.00 0.00 C ATOM 207 OG SER A 12 22.852 -6.021 13.066 1.00 0.00 O ATOM 0 H SER A 12 24.831 -5.533 12.425 1.00 0.00 H new ATOM 0 HA SER A 12 23.693 -4.976 9.990 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.562 -5.605 11.517 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.789 -6.806 11.165 1.00 0.00 H new ATOM 0 HG SER A 12 22.265 -6.722 13.420 1.00 0.00 H new ATOM 213 N CYS A 13 23.090 -2.527 11.964 1.00 0.00 N ATOM 214 CA CYS A 13 22.474 -1.210 11.994 1.00 0.00 C ATOM 215 C CYS A 13 22.730 -0.382 10.729 1.00 0.00 C ATOM 216 O CYS A 13 21.942 0.515 10.493 1.00 0.00 O ATOM 217 CB CYS A 13 22.826 -0.480 13.285 1.00 0.00 C ATOM 218 SG CYS A 13 22.124 -1.401 14.687 1.00 0.00 S ATOM 0 H CYS A 13 23.775 -2.687 12.703 1.00 0.00 H new ATOM 0 HA CYS A 13 21.394 -1.359 11.992 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.908 -0.399 13.390 1.00 0.00 H new ATOM 0 HB3 CYS A 13 22.431 0.536 13.264 1.00 0.00 H new ATOM 0 HG CYS A 13 20.834 -1.488 14.547 1.00 0.00 H new ATOM 224 N ARG A 14 23.710 -0.666 9.855 1.00 0.00 N ATOM 225 CA ARG A 14 23.748 0.024 8.540 1.00 0.00 C ATOM 226 C ARG A 14 22.541 -0.356 7.676 1.00 0.00 C ATOM 227 O ARG A 14 21.973 0.478 6.982 1.00 0.00 O ATOM 228 CB ARG A 14 25.069 -0.200 7.767 1.00 0.00 C ATOM 229 CG ARG A 14 25.600 -1.641 7.826 1.00 0.00 C ATOM 230 CD ARG A 14 26.620 -1.984 6.738 1.00 0.00 C ATOM 231 NE ARG A 14 27.265 -3.278 7.055 1.00 0.00 N ATOM 232 CZ ARG A 14 28.206 -3.889 6.323 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.531 -3.427 5.128 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.845 -4.936 6.826 1.00 0.00 N ATOM 0 H ARG A 14 24.460 -1.338 10.017 1.00 0.00 H new ATOM 0 HA ARG A 14 23.697 1.090 8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.917 0.076 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.829 0.471 8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.058 -1.807 8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.758 -2.329 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.127 -2.040 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.372 -1.198 6.669 1.00 0.00 H new ATOM 0 HE ARG A 14 26.965 -3.748 7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.064 -2.599 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.249 -3.898 4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 14 28.619 -5.270 7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 14 29.563 -5.408 6.276 1.00 0.00 H new ATOM 248 N SER A 15 22.113 -1.605 7.741 1.00 0.00 N ATOM 249 CA SER A 15 21.050 -2.126 6.895 1.00 0.00 C ATOM 250 C SER A 15 19.699 -1.840 7.562 1.00 0.00 C ATOM 251 O SER A 15 18.763 -1.381 6.913 1.00 0.00 O ATOM 252 CB SER A 15 21.317 -3.616 6.661 1.00 0.00 C ATOM 253 OG SER A 15 22.646 -3.990 7.038 1.00 0.00 O ATOM 0 H SER A 15 22.497 -2.294 8.388 1.00 0.00 H new ATOM 0 HA SER A 15 21.023 -1.642 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.599 -4.206 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.159 -3.851 5.608 1.00 0.00 H new ATOM 0 HG SER A 15 23.118 -4.351 6.259 1.00 0.00 H new ATOM 259 N GLN A 16 19.609 -1.986 8.883 1.00 0.00 N ATOM 260 CA GLN A 16 18.447 -1.536 9.642 1.00 0.00 C ATOM 261 C GLN A 16 18.338 0.007 9.620 1.00 0.00 C ATOM 262 O GLN A 16 17.235 0.538 9.711 1.00 0.00 O ATOM 263 CB GLN A 16 18.541 -2.179 11.033 1.00 0.00 C ATOM 264 CG GLN A 16 17.493 -1.708 12.044 1.00 0.00 C ATOM 265 CD GLN A 16 17.940 -2.011 13.469 1.00 0.00 C ATOM 266 OE1 GLN A 16 18.887 -1.405 13.963 1.00 0.00 O ATOM 267 NE2 GLN A 16 17.299 -2.959 14.132 1.00 0.00 N ATOM 0 H GLN A 16 20.336 -2.417 9.453 1.00 0.00 H new ATOM 0 HA GLN A 16 17.506 -1.859 9.198 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.455 -3.260 10.922 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.532 -1.979 11.441 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.327 -0.637 11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.541 -2.201 11.844 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.516 -3.446 13.696 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.588 -3.203 15.079 1.00 0.00 H new ATOM 276 N MET A 17 19.429 0.762 9.431 1.00 0.00 N ATOM 277 CA MET A 17 19.357 2.208 9.180 1.00 0.00 C ATOM 278 C MET A 17 18.711 2.446 7.836 1.00 0.00 C ATOM 279 O MET A 17 17.946 3.391 7.688 1.00 0.00 O ATOM 280 CB MET A 17 20.740 2.870 9.146 1.00 0.00 C ATOM 281 CG MET A 17 20.727 4.347 8.708 1.00 0.00 C ATOM 282 SD MET A 17 20.039 5.565 9.858 1.00 0.00 S ATOM 283 CE MET A 17 18.233 5.522 9.787 1.00 0.00 C ATOM 0 H MET A 17 20.379 0.391 9.448 1.00 0.00 H new ATOM 0 HA MET A 17 18.781 2.643 9.997 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.187 2.802 10.138 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.382 2.308 8.468 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.753 4.639 8.486 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.167 4.414 7.775 1.00 0.00 H new ATOM 0 HE1 MET A 17 17.823 6.178 10.555 1.00 0.00 H new ATOM 0 HE2 MET A 17 17.899 5.859 8.805 1.00 0.00 H new ATOM 0 HE3 MET A 17 17.886 4.503 9.958 1.00 0.00 H new ATOM 293 N ALA A 18 19.004 1.607 6.850 1.00 0.00 N ATOM 294 CA ALA A 18 18.391 1.748 5.549 1.00 0.00 C ATOM 295 C ALA A 18 16.878 1.599 5.701 1.00 0.00 C ATOM 296 O ALA A 18 16.143 2.416 5.163 1.00 0.00 O ATOM 297 CB ALA A 18 19.046 0.749 4.600 1.00 0.00 C ATOM 0 H ALA A 18 19.659 0.829 6.932 1.00 0.00 H new ATOM 0 HA ALA A 18 18.550 2.733 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.597 0.839 3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.114 0.956 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.895 -0.263 4.976 1.00 0.00 H new ATOM 303 N GLU A 19 16.415 0.674 6.548 1.00 0.00 N ATOM 304 CA GLU A 19 15.014 0.598 6.939 1.00 0.00 C ATOM 305 C GLU A 19 14.587 1.882 7.665 1.00 0.00 C ATOM 306 O GLU A 19 13.492 2.364 7.404 1.00 0.00 O ATOM 307 CB GLU A 19 14.762 -0.651 7.803 1.00 0.00 C ATOM 308 CG GLU A 19 13.292 -0.826 8.232 1.00 0.00 C ATOM 309 CD GLU A 19 13.081 -1.824 9.388 1.00 0.00 C ATOM 310 OE1 GLU A 19 14.072 -2.389 9.906 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.918 -2.002 9.815 1.00 0.00 O ATOM 0 H GLU A 19 17.004 -0.039 6.978 1.00 0.00 H new ATOM 0 HA GLU A 19 14.404 0.508 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.076 -1.535 7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.387 -0.596 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.895 0.145 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.712 -1.158 7.371 1.00 0.00 H new ATOM 318 N GLY A 20 15.405 2.481 8.544 1.00 0.00 N ATOM 319 CA GLY A 20 14.996 3.642 9.332 1.00 0.00 C ATOM 320 C GLY A 20 14.867 4.909 8.490 1.00 0.00 C ATOM 321 O GLY A 20 13.962 5.707 8.713 1.00 0.00 O ATOM 0 H GLY A 20 16.361 2.173 8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.041 3.431 9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.723 3.811 10.127 1.00 0.00 H new ATOM 325 N PHE A 21 15.726 5.092 7.486 1.00 0.00 N ATOM 326 CA PHE A 21 15.543 6.148 6.496 1.00 0.00 C ATOM 327 C PHE A 21 14.378 5.774 5.593 1.00 0.00 C ATOM 328 O PHE A 21 13.597 6.641 5.234 1.00 0.00 O ATOM 329 CB PHE A 21 16.826 6.368 5.680 1.00 0.00 C ATOM 330 CG PHE A 21 17.899 7.201 6.352 1.00 0.00 C ATOM 331 CD1 PHE A 21 17.608 8.508 6.788 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.208 6.707 6.486 1.00 0.00 C ATOM 333 CE1 PHE A 21 18.604 9.300 7.382 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.202 7.496 7.075 1.00 0.00 C ATOM 335 CZ PHE A 21 19.903 8.793 7.529 1.00 0.00 C ATOM 0 H PHE A 21 16.557 4.519 7.339 1.00 0.00 H new ATOM 0 HA PHE A 21 15.322 7.087 7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.249 5.394 5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.558 6.846 4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.611 8.904 6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.447 5.715 6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.370 10.297 7.725 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.204 7.107 7.182 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.671 9.396 7.989 1.00 0.00 H new ATOM 345 N ALA A 22 14.196 4.505 5.229 1.00 0.00 N ATOM 346 CA ALA A 22 13.160 4.137 4.274 1.00 0.00 C ATOM 347 C ALA A 22 11.763 4.265 4.892 1.00 0.00 C ATOM 348 O ALA A 22 10.871 4.785 4.233 1.00 0.00 O ATOM 349 CB ALA A 22 13.460 2.740 3.725 1.00 0.00 C ATOM 0 H ALA A 22 14.749 3.723 5.579 1.00 0.00 H new ATOM 0 HA ALA A 22 13.165 4.830 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.688 2.457 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.431 2.745 3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.475 2.022 4.545 1.00 0.00 H new ATOM 355 N LYS A 23 11.556 3.898 6.160 1.00 0.00 N ATOM 356 CA LYS A 23 10.277 4.099 6.857 1.00 0.00 C ATOM 357 C LYS A 23 9.928 5.590 7.001 1.00 0.00 C ATOM 358 O LYS A 23 8.765 5.938 7.157 1.00 0.00 O ATOM 359 CB LYS A 23 10.285 3.354 8.216 1.00 0.00 C ATOM 360 CG LYS A 23 11.020 4.133 9.318 1.00 0.00 C ATOM 361 CD LYS A 23 11.187 3.386 10.649 1.00 0.00 C ATOM 362 CE LYS A 23 11.853 4.345 11.661 1.00 0.00 C ATOM 363 NZ LYS A 23 12.196 3.689 12.957 1.00 0.00 N ATOM 0 H LYS A 23 12.270 3.452 6.735 1.00 0.00 H new ATOM 0 HA LYS A 23 9.482 3.667 6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.258 3.171 8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.758 2.380 8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.008 4.408 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.480 5.061 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.218 3.053 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.799 2.495 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.760 4.756 11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.183 5.183 11.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.787 4.330 13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.322 3.471 13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.718 2.809 12.773 1.00 0.00 H new ATOM 377 N THR A 24 10.946 6.445 6.965 1.00 0.00 N ATOM 378 CA THR A 24 10.884 7.891 7.109 1.00 0.00 C ATOM 379 C THR A 24 10.572 8.530 5.750 1.00 0.00 C ATOM 380 O THR A 24 9.648 9.333 5.623 1.00 0.00 O ATOM 381 CB THR A 24 12.260 8.292 7.693 1.00 0.00 C ATOM 382 OG1 THR A 24 12.270 8.049 9.088 1.00 0.00 O ATOM 383 CG2 THR A 24 12.765 9.698 7.397 1.00 0.00 C ATOM 0 H THR A 24 11.902 6.120 6.824 1.00 0.00 H new ATOM 0 HA THR A 24 10.091 8.238 7.771 1.00 0.00 H new ATOM 0 HB THR A 24 12.969 7.658 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.807 7.252 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.738 9.842 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.859 9.831 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.060 10.429 7.793 1.00 0.00 H new ATOM 391 N LEU A 25 11.330 8.145 4.724 1.00 0.00 N ATOM 392 CA LEU A 25 11.349 8.770 3.408 1.00 0.00 C ATOM 393 C LEU A 25 10.298 8.163 2.467 1.00 0.00 C ATOM 394 O LEU A 25 9.842 8.823 1.536 1.00 0.00 O ATOM 395 CB LEU A 25 12.747 8.577 2.804 1.00 0.00 C ATOM 396 CG LEU A 25 13.877 9.426 3.407 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.213 9.005 2.778 1.00 0.00 C ATOM 398 CD2 LEU A 25 13.674 10.925 3.163 1.00 0.00 C ATOM 0 H LEU A 25 11.973 7.356 4.793 1.00 0.00 H new ATOM 0 HA LEU A 25 11.112 9.828 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.019 7.526 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.690 8.792 1.737 1.00 0.00 H new ATOM 0 HG LEU A 25 13.875 9.256 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.019 9.604 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.397 7.951 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.173 9.161 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.499 11.481 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.643 11.118 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.735 11.244 3.616 1.00 0.00 H new ATOM 410 N GLY A 26 9.908 6.911 2.722 1.00 0.00 N ATOM 411 CA GLY A 26 8.945 6.122 1.955 1.00 0.00 C ATOM 412 C GLY A 26 7.613 5.981 2.693 1.00 0.00 C ATOM 413 O GLY A 26 6.814 5.096 2.377 1.00 0.00 O ATOM 0 H GLY A 26 10.279 6.392 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.776 6.594 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.359 5.133 1.759 1.00 0.00 H new ATOM 417 N ALA A 27 7.385 6.813 3.710 1.00 0.00 N ATOM 418 CA ALA A 27 6.219 6.759 4.574 1.00 0.00 C ATOM 419 C ALA A 27 4.958 6.983 3.741 1.00 0.00 C ATOM 420 O ALA A 27 4.840 7.997 3.051 1.00 0.00 O ATOM 421 CB ALA A 27 6.369 7.818 5.674 1.00 0.00 C ATOM 0 H ALA A 27 8.030 7.564 3.958 1.00 0.00 H new ATOM 0 HA ALA A 27 6.135 5.781 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.499 7.787 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.269 7.614 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.446 8.806 5.220 1.00 0.00 H new ATOM 427 N GLY A 28 4.028 6.026 3.794 1.00 0.00 N ATOM 428 CA GLY A 28 2.760 6.103 3.066 1.00 0.00 C ATOM 429 C GLY A 28 2.881 5.767 1.580 1.00 0.00 C ATOM 430 O GLY A 28 1.917 5.930 0.831 1.00 0.00 O ATOM 0 H GLY A 28 4.134 5.174 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.045 5.421 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.353 7.109 3.170 1.00 0.00 H new ATOM 434 N LYS A 29 4.047 5.284 1.145 1.00 0.00 N ATOM 435 CA LYS A 29 4.367 4.927 -0.223 1.00 0.00 C ATOM 436 C LYS A 29 4.750 3.465 -0.281 1.00 0.00 C ATOM 437 O LYS A 29 4.432 2.780 -1.245 1.00 0.00 O ATOM 438 CB LYS A 29 5.544 5.785 -0.685 1.00 0.00 C ATOM 439 CG LYS A 29 5.173 7.269 -0.804 1.00 0.00 C ATOM 440 CD LYS A 29 4.230 7.507 -1.996 1.00 0.00 C ATOM 441 CE LYS A 29 4.253 8.970 -2.463 1.00 0.00 C ATOM 442 NZ LYS A 29 3.699 9.107 -3.835 1.00 0.00 N ATOM 0 H LYS A 29 4.830 5.126 1.779 1.00 0.00 H new ATOM 0 HA LYS A 29 3.506 5.097 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.369 5.675 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.898 5.423 -1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.693 7.603 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.077 7.865 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.519 6.858 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.213 7.232 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.675 9.584 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.276 9.345 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.911 10.057 -4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.129 8.392 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.669 8.968 -3.809 1.00 0.00 H new ATOM 456 N ILE A 30 5.408 2.978 0.766 1.00 0.00 N ATOM 457 CA ILE A 30 5.886 1.617 0.884 1.00 0.00 C ATOM 458 C ILE A 30 5.716 1.145 2.328 1.00 0.00 C ATOM 459 O ILE A 30 5.380 1.919 3.224 1.00 0.00 O ATOM 460 CB ILE A 30 7.363 1.542 0.421 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.299 2.483 1.212 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.435 1.838 -1.085 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.762 2.036 1.249 1.00 0.00 C ATOM 0 H ILE A 30 5.628 3.547 1.583 1.00 0.00 H new ATOM 0 HA ILE A 30 5.305 0.954 0.243 1.00 0.00 H new ATOM 0 HB ILE A 30 7.720 0.532 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.247 3.479 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.931 2.566 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.472 1.787 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.843 1.102 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.041 2.836 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.347 2.753 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.831 1.054 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.152 1.982 0.232 1.00 0.00 H new ATOM 475 N ALA A 31 5.982 -0.140 2.519 1.00 0.00 N ATOM 476 CA ALA A 31 6.124 -0.795 3.808 1.00 0.00 C ATOM 477 C ALA A 31 7.595 -1.186 3.868 1.00 0.00 C ATOM 478 O ALA A 31 8.189 -1.500 2.837 1.00 0.00 O ATOM 479 CB ALA A 31 5.188 -2.004 3.901 1.00 0.00 C ATOM 0 H ALA A 31 6.111 -0.784 1.739 1.00 0.00 H new ATOM 0 HA ALA A 31 5.849 -0.159 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.307 -2.483 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.156 -1.675 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.434 -2.716 3.113 1.00 0.00 H new ATOM 485 N VAL A 32 8.196 -1.157 5.048 1.00 0.00 N ATOM 486 CA VAL A 32 9.634 -1.262 5.209 1.00 0.00 C ATOM 487 C VAL A 32 9.987 -2.248 6.339 1.00 0.00 C ATOM 488 O VAL A 32 9.304 -2.274 7.367 1.00 0.00 O ATOM 489 CB VAL A 32 10.140 0.173 5.489 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.602 0.314 5.117 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.378 1.294 4.744 1.00 0.00 C ATOM 0 H VAL A 32 7.691 -1.059 5.929 1.00 0.00 H new ATOM 0 HA VAL A 32 10.117 -1.662 4.317 1.00 0.00 H new ATOM 0 HB VAL A 32 9.969 0.302 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.933 1.332 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.196 -0.387 5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.730 0.099 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.807 2.261 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.463 1.139 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.327 1.273 5.032 1.00 0.00 H new ATOM 501 N THR A 33 11.047 -3.047 6.148 1.00 0.00 N ATOM 502 CA THR A 33 11.441 -4.126 7.063 1.00 0.00 C ATOM 503 C THR A 33 12.955 -4.392 6.937 1.00 0.00 C ATOM 504 O THR A 33 13.538 -4.049 5.909 1.00 0.00 O ATOM 505 CB THR A 33 10.638 -5.407 6.730 1.00 0.00 C ATOM 506 OG1 THR A 33 9.619 -5.206 5.757 1.00 0.00 O ATOM 507 CG2 THR A 33 9.965 -6.000 7.971 1.00 0.00 C ATOM 0 H THR A 33 11.664 -2.959 5.340 1.00 0.00 H new ATOM 0 HA THR A 33 11.224 -3.830 8.089 1.00 0.00 H new ATOM 0 HB THR A 33 11.386 -6.090 6.328 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.027 -4.942 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.413 -6.897 7.692 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.725 -6.257 8.709 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.278 -5.269 8.397 1.00 0.00 H new ATOM 515 N SER A 34 13.608 -5.032 7.914 1.00 0.00 N ATOM 516 CA SER A 34 14.989 -5.522 7.788 1.00 0.00 C ATOM 517 C SER A 34 15.081 -6.943 8.360 1.00 0.00 C ATOM 518 O SER A 34 14.134 -7.413 8.997 1.00 0.00 O ATOM 519 CB SER A 34 16.013 -4.540 8.391 1.00 0.00 C ATOM 520 OG SER A 34 15.785 -4.256 9.752 1.00 0.00 O ATOM 0 H SER A 34 13.190 -5.227 8.824 1.00 0.00 H new ATOM 0 HA SER A 34 15.256 -5.577 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.014 -4.956 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.989 -3.609 7.825 1.00 0.00 H new ATOM 0 HG SER A 34 15.308 -3.404 9.833 1.00 0.00 H new ATOM 526 N CYS A 35 16.188 -7.654 8.124 1.00 0.00 N ATOM 527 CA CYS A 35 16.356 -9.019 8.626 1.00 0.00 C ATOM 528 C CYS A 35 17.829 -9.383 8.814 1.00 0.00 C ATOM 529 O CYS A 35 18.701 -8.796 8.173 1.00 0.00 O ATOM 530 CB CYS A 35 15.660 -9.993 7.660 1.00 0.00 C ATOM 531 SG CYS A 35 16.224 -9.786 5.945 1.00 0.00 S ATOM 0 H CYS A 35 16.982 -7.305 7.587 1.00 0.00 H new ATOM 0 HA CYS A 35 15.896 -9.090 9.611 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.850 -11.017 7.981 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.582 -9.839 7.707 1.00 0.00 H new ATOM 0 HG CYS A 35 15.375 -9.046 5.295 1.00 0.00 H new ATOM 537 N GLY A 36 18.105 -10.365 9.676 1.00 0.00 N ATOM 538 CA GLY A 36 19.425 -10.951 9.908 1.00 0.00 C ATOM 539 C GLY A 36 19.978 -10.512 11.262 1.00 0.00 C ATOM 540 O GLY A 36 20.307 -11.347 12.101 1.00 0.00 O ATOM 0 H GLY A 36 17.382 -10.791 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.357 -12.038 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.108 -10.648 9.115 1.00 0.00 H new ATOM 624 N VAL A 42 20.768 -5.374 18.707 1.00 0.00 N ATOM 625 CA VAL A 42 21.017 -4.106 18.028 1.00 0.00 C ATOM 626 C VAL A 42 22.271 -3.427 18.606 1.00 0.00 C ATOM 627 O VAL A 42 22.770 -3.802 19.672 1.00 0.00 O ATOM 628 CB VAL A 42 19.710 -3.278 18.107 1.00 0.00 C ATOM 629 CG1 VAL A 42 19.506 -2.571 19.457 1.00 0.00 C ATOM 630 CG2 VAL A 42 19.587 -2.266 16.968 1.00 0.00 C ATOM 0 HA VAL A 42 21.253 -4.233 16.971 1.00 0.00 H new ATOM 0 HB VAL A 42 18.916 -4.018 18.004 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.571 -2.012 19.437 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.468 -3.313 20.254 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.335 -1.886 19.638 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.653 -1.713 17.072 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.426 -1.571 17.006 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.594 -2.791 16.013 1.00 0.00 H new ATOM 640 N HIS A 43 22.763 -2.403 17.904 1.00 0.00 N ATOM 641 CA HIS A 43 24.055 -1.777 18.159 1.00 0.00 C ATOM 642 C HIS A 43 23.873 -0.273 18.415 1.00 0.00 C ATOM 643 O HIS A 43 23.542 0.470 17.488 1.00 0.00 O ATOM 644 CB HIS A 43 24.954 -2.097 16.962 1.00 0.00 C ATOM 645 CG HIS A 43 26.346 -1.556 17.123 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.369 -2.124 17.844 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.815 -0.382 16.604 1.00 0.00 C ATOM 648 CE1 HIS A 43 28.440 -1.319 17.750 1.00 0.00 C ATOM 649 NE2 HIS A 43 28.153 -0.243 16.993 1.00 0.00 N ATOM 0 H HIS A 43 22.259 -1.979 17.125 1.00 0.00 H new ATOM 0 HA HIS A 43 24.531 -2.165 19.060 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.002 -3.178 16.827 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.509 -1.682 16.057 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.253 0.315 16.000 1.00 0.00 H new ATOM 0 HE1 HIS A 43 29.396 -1.508 18.216 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.784 0.521 16.751 1.00 0.00 H new ATOM 657 N PRO A 44 24.091 0.212 19.652 1.00 0.00 N ATOM 658 CA PRO A 44 23.730 1.567 20.059 1.00 0.00 C ATOM 659 C PRO A 44 24.534 2.684 19.386 1.00 0.00 C ATOM 660 O PRO A 44 24.003 3.786 19.258 1.00 0.00 O ATOM 661 CB PRO A 44 23.881 1.597 21.586 1.00 0.00 C ATOM 662 CG PRO A 44 24.922 0.517 21.862 1.00 0.00 C ATOM 663 CD PRO A 44 24.607 -0.529 20.797 1.00 0.00 C ATOM 0 HA PRO A 44 22.711 1.777 19.735 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.213 2.574 21.937 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.937 1.382 22.087 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.938 0.900 21.766 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.828 0.111 22.869 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.500 -1.093 20.527 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.873 -1.248 21.160 1.00 0.00 H new ATOM 671 N THR A 45 25.762 2.446 18.910 1.00 0.00 N ATOM 672 CA THR A 45 26.551 3.495 18.245 1.00 0.00 C ATOM 673 C THR A 45 25.817 4.026 17.009 1.00 0.00 C ATOM 674 O THR A 45 25.811 5.230 16.757 1.00 0.00 O ATOM 675 CB THR A 45 27.954 2.969 17.871 1.00 0.00 C ATOM 676 OG1 THR A 45 28.450 2.092 18.870 1.00 0.00 O ATOM 677 CG2 THR A 45 28.939 4.126 17.682 1.00 0.00 C ATOM 0 H THR A 45 26.231 1.542 18.971 1.00 0.00 H new ATOM 0 HA THR A 45 26.676 4.322 18.943 1.00 0.00 H new ATOM 0 HB THR A 45 27.858 2.424 16.932 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.455 1.174 18.527 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.920 3.730 17.419 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.585 4.778 16.883 1.00 0.00 H new ATOM 0 HG23 THR A 45 29.014 4.695 18.609 1.00 0.00 H new ATOM 685 N ALA A 46 25.135 3.144 16.268 1.00 0.00 N ATOM 686 CA ALA A 46 24.360 3.560 15.115 1.00 0.00 C ATOM 687 C ALA A 46 23.150 4.356 15.575 1.00 0.00 C ATOM 688 O ALA A 46 22.904 5.427 15.039 1.00 0.00 O ATOM 689 CB ALA A 46 23.940 2.330 14.313 1.00 0.00 C ATOM 0 H ALA A 46 25.110 2.141 16.454 1.00 0.00 H new ATOM 0 HA ALA A 46 24.964 4.199 14.471 1.00 0.00 H new ATOM 0 HB1 ALA A 46 23.357 2.642 13.446 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.828 1.793 13.979 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.335 1.676 14.940 1.00 0.00 H new ATOM 695 N ILE A 47 22.449 3.889 16.608 1.00 0.00 N ATOM 696 CA ILE A 47 21.284 4.593 17.137 1.00 0.00 C ATOM 697 C ILE A 47 21.689 6.014 17.519 1.00 0.00 C ATOM 698 O ILE A 47 20.977 6.944 17.159 1.00 0.00 O ATOM 699 CB ILE A 47 20.649 3.850 18.325 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.724 2.708 17.881 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.800 4.761 19.239 1.00 0.00 C ATOM 702 CD1 ILE A 47 20.378 1.472 17.270 1.00 0.00 C ATOM 0 H ILE A 47 22.670 3.021 17.096 1.00 0.00 H new ATOM 0 HA ILE A 47 20.520 4.633 16.361 1.00 0.00 H new ATOM 0 HB ILE A 47 21.510 3.467 18.872 1.00 0.00 H new ATOM 0 HG12 ILE A 47 19.143 2.389 18.747 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.018 3.110 17.154 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.383 4.171 20.055 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.428 5.553 19.648 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.989 5.203 18.660 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.609 0.748 17.003 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.933 1.758 16.377 1.00 0.00 H new ATOM 0 HD13 ILE A 47 21.060 1.026 17.994 1.00 0.00 H new ATOM 714 N ALA A 48 22.833 6.198 18.183 1.00 0.00 N ATOM 715 CA ALA A 48 23.317 7.527 18.529 1.00 0.00 C ATOM 716 C ALA A 48 23.470 8.394 17.283 1.00 0.00 C ATOM 717 O ALA A 48 23.067 9.557 17.292 1.00 0.00 O ATOM 718 CB ALA A 48 24.642 7.437 19.285 1.00 0.00 C ATOM 0 H ALA A 48 23.439 5.438 18.490 1.00 0.00 H new ATOM 0 HA ALA A 48 22.579 7.996 19.180 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.987 8.440 19.535 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.500 6.864 20.201 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.385 6.943 18.659 1.00 0.00 H new ATOM 724 N MET A 49 24.014 7.832 16.200 1.00 0.00 N ATOM 725 CA MET A 49 24.164 8.574 14.959 1.00 0.00 C ATOM 726 C MET A 49 22.826 8.914 14.325 1.00 0.00 C ATOM 727 O MET A 49 22.774 9.831 13.510 1.00 0.00 O ATOM 728 CB MET A 49 25.008 7.851 13.919 1.00 0.00 C ATOM 729 CG MET A 49 26.458 7.713 14.354 1.00 0.00 C ATOM 730 SD MET A 49 27.313 9.166 15.029 1.00 0.00 S ATOM 731 CE MET A 49 27.153 8.791 16.792 1.00 0.00 C ATOM 0 H MET A 49 24.354 6.871 16.164 1.00 0.00 H new ATOM 0 HA MET A 49 24.679 9.488 15.255 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.589 6.861 13.737 1.00 0.00 H new ATOM 0 HB3 MET A 49 24.963 8.394 12.975 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.503 6.925 15.106 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.029 7.365 13.493 1.00 0.00 H new ATOM 0 HE1 MET A 49 27.933 9.313 17.347 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.175 9.117 17.146 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.255 7.717 16.946 1.00 0.00 H new ATOM 741 N MET A 50 21.764 8.184 14.636 1.00 0.00 N ATOM 742 CA MET A 50 20.471 8.441 14.027 1.00 0.00 C ATOM 743 C MET A 50 19.737 9.447 14.913 1.00 0.00 C ATOM 744 O MET A 50 19.093 10.368 14.418 1.00 0.00 O ATOM 745 CB MET A 50 19.697 7.126 13.814 1.00 0.00 C ATOM 746 CG MET A 50 20.519 6.008 13.156 1.00 0.00 C ATOM 747 SD MET A 50 21.975 6.509 12.162 1.00 0.00 S ATOM 748 CE MET A 50 22.826 4.926 11.975 1.00 0.00 C ATOM 0 H MET A 50 21.774 7.413 15.304 1.00 0.00 H new ATOM 0 HA MET A 50 20.578 8.872 13.031 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.332 6.773 14.778 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.822 7.329 13.197 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.862 5.335 13.941 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.853 5.433 12.512 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.666 4.880 12.668 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.133 4.113 12.191 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.193 4.829 10.953 1.00 0.00 H new ATOM 758 N GLU A 51 19.913 9.340 16.225 1.00 0.00 N ATOM 759 CA GLU A 51 19.334 10.238 17.204 1.00 0.00 C ATOM 760 C GLU A 51 19.916 11.642 17.044 1.00 0.00 C ATOM 761 O GLU A 51 19.191 12.629 17.178 1.00 0.00 O ATOM 762 CB GLU A 51 19.586 9.650 18.602 1.00 0.00 C ATOM 763 CG GLU A 51 18.939 10.483 19.714 1.00 0.00 C ATOM 764 CD GLU A 51 19.103 9.811 21.088 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.184 9.953 21.711 1.00 0.00 O ATOM 766 OE2 GLU A 51 18.150 9.150 21.565 1.00 0.00 O ATOM 0 H GLU A 51 20.480 8.603 16.644 1.00 0.00 H new ATOM 0 HA GLU A 51 18.258 10.333 17.057 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.196 8.633 18.641 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.660 9.587 18.778 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.390 11.475 19.737 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.879 10.620 19.498 1.00 0.00 H new ATOM 773 N GLU A 52 21.197 11.735 16.677 1.00 0.00 N ATOM 774 CA GLU A 52 21.883 13.001 16.491 1.00 0.00 C ATOM 775 C GLU A 52 21.494 13.688 15.166 1.00 0.00 C ATOM 776 O GLU A 52 22.035 14.752 14.858 1.00 0.00 O ATOM 777 CB GLU A 52 23.391 12.865 16.792 1.00 0.00 C ATOM 778 CG GLU A 52 24.287 12.216 15.720 1.00 0.00 C ATOM 779 CD GLU A 52 25.030 13.212 14.811 1.00 0.00 C ATOM 780 OE1 GLU A 52 25.600 14.210 15.314 1.00 0.00 O ATOM 781 OE2 GLU A 52 25.206 12.917 13.605 1.00 0.00 O ATOM 0 H GLU A 52 21.786 10.921 16.501 1.00 0.00 H new ATOM 0 HA GLU A 52 21.533 13.716 17.236 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.782 13.862 16.995 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.497 12.288 17.710 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.021 11.581 16.216 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.672 11.566 15.097 1.00 0.00 H new ATOM 788 N VAL A 53 20.529 13.133 14.410 1.00 0.00 N ATOM 789 CA VAL A 53 19.902 13.772 13.258 1.00 0.00 C ATOM 790 C VAL A 53 18.362 13.746 13.328 1.00 0.00 C ATOM 791 O VAL A 53 17.731 14.617 12.723 1.00 0.00 O ATOM 792 CB VAL A 53 20.428 13.173 11.941 1.00 0.00 C ATOM 793 CG1 VAL A 53 21.882 13.591 11.678 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.303 11.648 11.813 1.00 0.00 C ATOM 0 H VAL A 53 20.159 12.201 14.596 1.00 0.00 H new ATOM 0 HA VAL A 53 20.185 14.824 13.284 1.00 0.00 H new ATOM 0 HB VAL A 53 19.767 13.592 11.182 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.223 13.151 10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.942 14.677 11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.514 13.241 12.494 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.702 11.330 10.850 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.864 11.168 12.615 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.254 11.362 11.883 1.00 0.00 H new ATOM 804 N GLY A 54 17.746 12.820 14.076 1.00 0.00 N ATOM 805 CA GLY A 54 16.312 12.824 14.373 1.00 0.00 C ATOM 806 C GLY A 54 15.582 11.533 13.989 1.00 0.00 C ATOM 807 O GLY A 54 14.408 11.601 13.618 1.00 0.00 O ATOM 0 H GLY A 54 18.242 12.035 14.498 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.175 13.001 15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.847 13.659 13.849 1.00 0.00 H new ATOM 811 N ILE A 55 16.247 10.371 14.038 1.00 0.00 N ATOM 812 CA ILE A 55 15.685 9.055 13.727 1.00 0.00 C ATOM 813 C ILE A 55 16.050 8.118 14.896 1.00 0.00 C ATOM 814 O ILE A 55 16.981 8.391 15.653 1.00 0.00 O ATOM 815 CB ILE A 55 16.150 8.550 12.336 1.00 0.00 C ATOM 816 CG1 ILE A 55 15.813 9.619 11.276 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.507 7.181 11.982 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.087 9.139 9.860 1.00 0.00 C ATOM 0 H ILE A 55 17.230 10.323 14.306 1.00 0.00 H new ATOM 0 HA ILE A 55 14.599 9.096 13.640 1.00 0.00 H new ATOM 0 HB ILE A 55 17.228 8.391 12.357 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.763 9.897 11.366 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.398 10.518 11.472 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.855 6.858 11.001 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.792 6.441 12.730 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.422 7.282 11.966 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.833 9.929 9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.143 8.887 9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.482 8.257 9.651 1.00 0.00 H new ATOM 830 N ASP A 56 15.351 6.992 15.030 1.00 0.00 N ATOM 831 CA ASP A 56 15.703 5.903 15.943 1.00 0.00 C ATOM 832 C ASP A 56 15.423 4.597 15.214 1.00 0.00 C ATOM 833 O ASP A 56 14.505 4.537 14.391 1.00 0.00 O ATOM 834 CB ASP A 56 14.901 5.995 17.248 1.00 0.00 C ATOM 835 CG ASP A 56 15.017 4.709 18.089 1.00 0.00 C ATOM 836 OD1 ASP A 56 16.136 4.153 18.219 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.974 4.231 18.588 1.00 0.00 O ATOM 0 H ASP A 56 14.503 6.806 14.494 1.00 0.00 H new ATOM 0 HA ASP A 56 16.755 5.963 16.223 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.256 6.844 17.833 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.853 6.184 17.017 1.00 0.00 H new ATOM 842 N ILE A 57 16.227 3.570 15.489 1.00 0.00 N ATOM 843 CA ILE A 57 16.202 2.265 14.862 1.00 0.00 C ATOM 844 C ILE A 57 16.396 1.155 15.912 1.00 0.00 C ATOM 845 O ILE A 57 16.492 -0.014 15.547 1.00 0.00 O ATOM 846 CB ILE A 57 17.215 2.223 13.685 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.698 2.393 14.095 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.869 3.275 12.611 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.686 2.309 12.926 1.00 0.00 C ATOM 0 H ILE A 57 16.955 3.640 16.200 1.00 0.00 H new ATOM 0 HA ILE A 57 15.223 2.076 14.422 1.00 0.00 H new ATOM 0 HB ILE A 57 17.114 1.215 13.283 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.819 3.357 14.590 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.952 1.626 14.826 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.596 3.221 11.801 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.872 3.079 12.217 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.894 4.270 13.055 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.702 2.438 13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.597 1.336 12.444 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.462 3.094 12.203 1.00 0.00 H new ATOM 861 N SER A 58 16.440 1.482 17.211 1.00 0.00 N ATOM 862 CA SER A 58 16.489 0.473 18.260 1.00 0.00 C ATOM 863 C SER A 58 15.205 -0.359 18.251 1.00 0.00 C ATOM 864 O SER A 58 14.118 0.144 17.949 1.00 0.00 O ATOM 865 CB SER A 58 16.758 1.086 19.644 1.00 0.00 C ATOM 866 OG SER A 58 15.970 2.219 19.962 1.00 0.00 O ATOM 0 H SER A 58 16.442 2.443 17.554 1.00 0.00 H new ATOM 0 HA SER A 58 17.330 -0.187 18.050 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.590 0.321 20.402 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.810 1.366 19.702 1.00 0.00 H new ATOM 0 HG SER A 58 16.256 2.980 19.415 1.00 0.00 H new ATOM 872 N GLY A 59 15.341 -1.651 18.567 1.00 0.00 N ATOM 873 CA GLY A 59 14.223 -2.585 18.646 1.00 0.00 C ATOM 874 C GLY A 59 13.515 -2.815 17.310 1.00 0.00 C ATOM 875 O GLY A 59 12.486 -3.495 17.304 1.00 0.00 O ATOM 0 H GLY A 59 16.243 -2.078 18.777 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.586 -3.541 19.023 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.499 -2.211 19.370 1.00 0.00 H new ATOM 879 N GLN A 60 14.022 -2.270 16.188 1.00 0.00 N ATOM 880 CA GLN A 60 13.323 -2.377 14.909 1.00 0.00 C ATOM 881 C GLN A 60 13.052 -3.816 14.492 1.00 0.00 C ATOM 882 O GLN A 60 11.939 -4.140 14.066 1.00 0.00 O ATOM 883 CB GLN A 60 14.138 -1.698 13.790 1.00 0.00 C ATOM 884 CG GLN A 60 13.483 -0.351 13.465 1.00 0.00 C ATOM 885 CD GLN A 60 14.132 0.463 12.350 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.053 1.682 12.380 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.744 -0.123 11.341 1.00 0.00 N ATOM 0 H GLN A 60 14.903 -1.758 16.148 1.00 0.00 H new ATOM 0 HA GLN A 60 12.365 -1.878 15.053 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.170 -1.551 14.108 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.165 -2.331 12.903 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.443 -0.532 13.195 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.477 0.254 14.372 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.814 -1.140 11.308 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.147 0.440 10.593 1.00 0.00 H new ATOM 896 N THR A 61 14.068 -4.657 14.642 1.00 0.00 N ATOM 897 CA THR A 61 14.095 -5.993 14.078 1.00 0.00 C ATOM 898 C THR A 61 14.919 -6.934 14.960 1.00 0.00 C ATOM 899 O THR A 61 15.679 -6.464 15.812 1.00 0.00 O ATOM 900 CB THR A 61 14.595 -5.870 12.619 1.00 0.00 C ATOM 901 OG1 THR A 61 15.543 -4.815 12.492 1.00 0.00 O ATOM 902 CG2 THR A 61 13.438 -5.542 11.672 1.00 0.00 C ATOM 0 H THR A 61 14.909 -4.422 15.169 1.00 0.00 H new ATOM 0 HA THR A 61 13.104 -6.446 14.052 1.00 0.00 H new ATOM 0 HB THR A 61 15.047 -6.828 12.362 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.645 -4.579 11.546 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.814 -5.461 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.692 -6.335 11.721 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.983 -4.597 11.967 1.00 0.00 H new ATOM 910 N SER A 62 14.742 -8.253 14.783 1.00 0.00 N ATOM 911 CA SER A 62 15.294 -9.274 15.676 1.00 0.00 C ATOM 912 C SER A 62 15.129 -10.700 15.098 1.00 0.00 C ATOM 913 O SER A 62 15.040 -11.668 15.861 1.00 0.00 O ATOM 914 CB SER A 62 14.629 -9.121 17.066 1.00 0.00 C ATOM 915 OG SER A 62 13.221 -8.902 16.976 1.00 0.00 O ATOM 0 H SER A 62 14.206 -8.640 14.007 1.00 0.00 H new ATOM 0 HA SER A 62 16.369 -9.126 15.777 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.817 -10.018 17.656 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.090 -8.288 17.596 1.00 0.00 H new ATOM 0 HG SER A 62 12.845 -8.813 17.877 1.00 0.00 H new ATOM 921 N ASP A 63 15.069 -10.871 13.764 1.00 0.00 N ATOM 922 CA ASP A 63 14.694 -12.155 13.142 1.00 0.00 C ATOM 923 C ASP A 63 15.563 -12.464 11.915 1.00 0.00 C ATOM 924 O ASP A 63 15.966 -11.530 11.214 1.00 0.00 O ATOM 925 CB ASP A 63 13.210 -12.132 12.743 1.00 0.00 C ATOM 926 CG ASP A 63 12.303 -12.728 13.833 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.375 -13.954 14.087 1.00 0.00 O ATOM 928 OD2 ASP A 63 11.487 -11.975 14.421 1.00 0.00 O ATOM 0 H ASP A 63 15.277 -10.131 13.093 1.00 0.00 H new ATOM 0 HA ASP A 63 14.861 -12.943 13.876 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.906 -11.105 12.542 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.076 -12.691 11.817 1.00 0.00 H new ATOM 933 N PRO A 64 15.863 -13.750 11.630 1.00 0.00 N ATOM 934 CA PRO A 64 16.773 -14.157 10.559 1.00 0.00 C ATOM 935 C PRO A 64 16.083 -14.210 9.188 1.00 0.00 C ATOM 936 O PRO A 64 14.859 -14.336 9.094 1.00 0.00 O ATOM 937 CB PRO A 64 17.272 -15.546 10.979 1.00 0.00 C ATOM 938 CG PRO A 64 16.076 -16.136 11.719 1.00 0.00 C ATOM 939 CD PRO A 64 15.471 -14.918 12.416 1.00 0.00 C ATOM 0 HA PRO A 64 17.583 -13.438 10.436 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.551 -16.152 10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 64 18.151 -15.481 11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.368 -16.603 11.035 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.380 -16.901 12.434 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.386 -15.002 12.470 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.836 -14.836 13.440 1.00 0.00 H new ATOM 947 N ILE A 65 16.886 -14.196 8.119 1.00 0.00 N ATOM 948 CA ILE A 65 16.422 -14.188 6.726 1.00 0.00 C ATOM 949 C ILE A 65 15.574 -15.419 6.410 1.00 0.00 C ATOM 950 O ILE A 65 14.579 -15.327 5.700 1.00 0.00 O ATOM 951 CB ILE A 65 17.633 -14.027 5.764 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.157 -13.770 4.316 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.623 -15.214 5.835 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.289 -13.592 3.293 1.00 0.00 C ATOM 0 H ILE A 65 17.903 -14.190 8.200 1.00 0.00 H new ATOM 0 HA ILE A 65 15.767 -13.330 6.576 1.00 0.00 H new ATOM 0 HB ILE A 65 18.188 -13.152 6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.528 -14.603 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.532 -12.877 4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.446 -15.043 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.015 -15.301 6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.106 -16.135 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.863 -13.416 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.907 -12.740 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.902 -14.493 3.269 1.00 0.00 H new ATOM 966 N GLU A 66 15.950 -16.563 6.976 1.00 0.00 N ATOM 967 CA GLU A 66 15.339 -17.846 6.665 1.00 0.00 C ATOM 968 C GLU A 66 13.911 -17.953 7.211 1.00 0.00 C ATOM 969 O GLU A 66 13.124 -18.758 6.708 1.00 0.00 O ATOM 970 CB GLU A 66 16.237 -18.964 7.217 1.00 0.00 C ATOM 971 CG GLU A 66 17.478 -19.194 6.345 1.00 0.00 C ATOM 972 CD GLU A 66 18.325 -20.368 6.874 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.232 -20.138 7.711 1.00 0.00 O ATOM 974 OE2 GLU A 66 18.106 -21.527 6.442 1.00 0.00 O ATOM 0 H GLU A 66 16.695 -16.623 7.670 1.00 0.00 H new ATOM 0 HA GLU A 66 15.254 -17.944 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.549 -18.710 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.664 -19.889 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.171 -19.397 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.083 -18.287 6.323 1.00 0.00 H new ATOM 981 N ASN A 67 13.550 -17.133 8.210 1.00 0.00 N ATOM 982 CA ASN A 67 12.178 -17.032 8.682 1.00 0.00 C ATOM 983 C ASN A 67 11.309 -16.219 7.707 1.00 0.00 C ATOM 984 O ASN A 67 10.083 -16.337 7.762 1.00 0.00 O ATOM 985 CB ASN A 67 12.121 -16.484 10.126 1.00 0.00 C ATOM 986 CG ASN A 67 11.395 -15.147 10.242 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.235 -15.067 10.637 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.081 -14.080 9.891 1.00 0.00 N ATOM 0 H ASN A 67 14.205 -16.528 8.705 1.00 0.00 H new ATOM 0 HA ASN A 67 11.756 -18.037 8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.624 -17.215 10.764 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.137 -16.370 10.503 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.650 -13.157 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.043 -14.176 9.567 1.00 0.00 H new ATOM 995 N PHE A 68 11.911 -15.409 6.824 1.00 0.00 N ATOM 996 CA PHE A 68 11.196 -14.537 5.906 1.00 0.00 C ATOM 997 C PHE A 68 11.075 -15.190 4.524 1.00 0.00 C ATOM 998 O PHE A 68 11.718 -16.199 4.220 1.00 0.00 O ATOM 999 CB PHE A 68 11.872 -13.156 5.849 1.00 0.00 C ATOM 1000 CG PHE A 68 11.804 -12.365 7.146 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.561 -11.917 7.635 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.972 -12.071 7.871 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.491 -11.155 8.815 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.904 -11.307 9.054 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.665 -10.837 9.520 1.00 0.00 C ATOM 0 H PHE A 68 12.925 -15.347 6.733 1.00 0.00 H new ATOM 0 HA PHE A 68 10.181 -14.384 6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.918 -13.289 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.406 -12.570 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.655 -12.161 7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.927 -12.433 7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.534 -10.814 9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.807 -11.083 9.603 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.615 -10.235 10.415 1.00 0.00 H new ATOM 1015 N ASN A 69 10.219 -14.609 3.678 1.00 0.00 N ATOM 1016 CA ASN A 69 9.819 -15.123 2.385 1.00 0.00 C ATOM 1017 C ASN A 69 9.731 -13.886 1.505 1.00 0.00 C ATOM 1018 O ASN A 69 8.699 -13.214 1.534 1.00 0.00 O ATOM 1019 CB ASN A 69 8.478 -15.852 2.582 1.00 0.00 C ATOM 1020 CG ASN A 69 7.787 -16.260 1.292 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.755 -17.422 0.888 1.00 0.00 O ATOM 1022 ND2 ASN A 69 7.115 -15.295 0.713 1.00 0.00 N ATOM 0 H ASN A 69 9.768 -13.721 3.898 1.00 0.00 H new ATOM 0 HA ASN A 69 10.496 -15.844 1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.649 -16.744 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.808 -15.206 3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.538 -15.494 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.169 -14.345 1.080 1.00 0.00 H new ATOM 1029 N ALA A 70 10.832 -13.494 0.843 1.00 0.00 N ATOM 1030 CA ALA A 70 10.867 -12.304 0.010 1.00 0.00 C ATOM 1031 C ALA A 70 9.723 -12.258 -0.998 1.00 0.00 C ATOM 1032 O ALA A 70 9.271 -11.173 -1.337 1.00 0.00 O ATOM 1033 CB ALA A 70 12.177 -12.226 -0.762 1.00 0.00 C ATOM 0 H ALA A 70 11.717 -14.000 0.877 1.00 0.00 H new ATOM 0 HA ALA A 70 10.768 -11.459 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.183 -11.328 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 70 13.011 -12.190 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.277 -13.105 -1.399 1.00 0.00 H new ATOM 1039 N ASP A 71 9.246 -13.407 -1.466 1.00 0.00 N ATOM 1040 CA ASP A 71 8.083 -13.515 -2.349 1.00 0.00 C ATOM 1041 C ASP A 71 6.862 -12.742 -1.812 1.00 0.00 C ATOM 1042 O ASP A 71 6.064 -12.239 -2.606 1.00 0.00 O ATOM 1043 CB ASP A 71 7.739 -14.994 -2.596 1.00 0.00 C ATOM 1044 CG ASP A 71 6.231 -15.250 -2.733 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.585 -15.517 -1.692 1.00 0.00 O ATOM 1046 OD2 ASP A 71 5.710 -15.230 -3.875 1.00 0.00 O ATOM 0 H ASP A 71 9.664 -14.309 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 71 8.349 -13.051 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.242 -15.331 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.129 -15.593 -1.774 1.00 0.00 H new ATOM 1051 N ASP A 72 6.732 -12.605 -0.490 1.00 0.00 N ATOM 1052 CA ASP A 72 5.649 -11.845 0.133 1.00 0.00 C ATOM 1053 C ASP A 72 5.800 -10.322 -0.061 1.00 0.00 C ATOM 1054 O ASP A 72 4.827 -9.575 0.063 1.00 0.00 O ATOM 1055 CB ASP A 72 5.576 -12.186 1.628 1.00 0.00 C ATOM 1056 CG ASP A 72 4.370 -11.512 2.297 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.214 -11.886 1.981 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.578 -10.656 3.189 1.00 0.00 O ATOM 0 H ASP A 72 7.379 -13.021 0.180 1.00 0.00 H new ATOM 0 HA ASP A 72 4.722 -12.133 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.507 -13.267 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.494 -11.866 2.121 1.00 0.00 H new ATOM 1063 N TYR A 73 7.008 -9.867 -0.396 1.00 0.00 N ATOM 1064 CA TYR A 73 7.456 -8.490 -0.500 1.00 0.00 C ATOM 1065 C TYR A 73 7.632 -8.139 -1.989 1.00 0.00 C ATOM 1066 O TYR A 73 7.562 -9.023 -2.852 1.00 0.00 O ATOM 1067 CB TYR A 73 8.799 -8.284 0.256 1.00 0.00 C ATOM 1068 CG TYR A 73 8.830 -8.695 1.721 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.714 -10.052 2.068 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.996 -7.739 2.741 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.649 -10.455 3.409 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.927 -8.134 4.091 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.723 -9.487 4.433 1.00 0.00 C ATOM 1074 OH TYR A 73 8.584 -9.835 5.744 1.00 0.00 O ATOM 0 H TYR A 73 7.761 -10.517 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 73 6.712 -7.836 -0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.574 -8.841 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.066 -7.229 0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.674 -10.798 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.176 -6.704 2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.543 -11.501 3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.031 -7.394 4.871 1.00 0.00 H new ATOM 0 HH TYR A 73 9.315 -10.435 6.003 1.00 0.00 H new ATOM 1084 N ASP A 74 7.864 -6.855 -2.303 1.00 0.00 N ATOM 1085 CA ASP A 74 8.091 -6.428 -3.685 1.00 0.00 C ATOM 1086 C ASP A 74 9.519 -5.964 -3.945 1.00 0.00 C ATOM 1087 O ASP A 74 9.928 -5.994 -5.099 1.00 0.00 O ATOM 1088 CB ASP A 74 7.143 -5.284 -4.067 1.00 0.00 C ATOM 1089 CG ASP A 74 5.669 -5.711 -4.066 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.173 -6.205 -5.108 1.00 0.00 O ATOM 1091 OD2 ASP A 74 5.003 -5.534 -3.018 1.00 0.00 O ATOM 0 H ASP A 74 7.899 -6.100 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 74 7.900 -7.311 -4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.278 -4.457 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.409 -4.912 -5.057 1.00 0.00 H new ATOM 1096 N VAL A 75 10.306 -5.539 -2.955 1.00 0.00 N ATOM 1097 CA VAL A 75 11.658 -5.050 -3.207 1.00 0.00 C ATOM 1098 C VAL A 75 12.585 -5.615 -2.140 1.00 0.00 C ATOM 1099 O VAL A 75 12.304 -5.557 -0.941 1.00 0.00 O ATOM 1100 CB VAL A 75 11.651 -3.523 -3.291 1.00 0.00 C ATOM 1101 CG1 VAL A 75 13.049 -2.890 -3.206 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.848 -2.993 -4.492 1.00 0.00 C ATOM 0 H VAL A 75 10.029 -5.524 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 75 12.036 -5.394 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 75 11.125 -3.198 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.962 -1.806 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.513 -3.159 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.665 -3.256 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.880 -1.903 -4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.282 -3.374 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.813 -3.326 -4.413 1.00 0.00 H new ATOM 1112 N VAL A 76 13.733 -6.119 -2.575 1.00 0.00 N ATOM 1113 CA VAL A 76 14.791 -6.566 -1.712 1.00 0.00 C ATOM 1114 C VAL A 76 15.963 -5.662 -2.001 1.00 0.00 C ATOM 1115 O VAL A 76 16.376 -5.496 -3.151 1.00 0.00 O ATOM 1116 CB VAL A 76 15.119 -8.036 -2.032 1.00 0.00 C ATOM 1117 CG1 VAL A 76 16.522 -8.465 -1.569 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.055 -8.940 -1.388 1.00 0.00 C ATOM 0 H VAL A 76 13.948 -6.226 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 76 14.523 -6.519 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 76 15.111 -8.139 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.686 -9.511 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.273 -7.848 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.603 -8.340 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.281 -9.983 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.056 -8.791 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.073 -8.688 -1.788 1.00 0.00 H new ATOM 1128 N ILE A 77 16.521 -5.131 -0.927 1.00 0.00 N ATOM 1129 CA ILE A 77 17.766 -4.428 -0.931 1.00 0.00 C ATOM 1130 C ILE A 77 18.570 -5.220 0.073 1.00 0.00 C ATOM 1131 O ILE A 77 18.378 -5.079 1.280 1.00 0.00 O ATOM 1132 CB ILE A 77 17.555 -2.976 -0.499 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.606 -2.167 -1.404 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.917 -2.295 -0.407 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.936 -2.140 -2.904 1.00 0.00 C ATOM 0 H ILE A 77 16.095 -5.186 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 77 18.254 -4.360 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 77 17.058 -3.003 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.599 -2.567 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.585 -1.139 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.785 -1.258 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.535 -2.815 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.406 -2.326 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.194 -1.538 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.925 -1.706 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.924 -3.156 -3.298 1.00 0.00 H new ATOM 1147 N SER A 78 19.394 -6.148 -0.382 1.00 0.00 N ATOM 1148 CA SER A 78 20.320 -6.736 0.552 1.00 0.00 C ATOM 1149 C SER A 78 21.433 -5.709 0.840 1.00 0.00 C ATOM 1150 O SER A 78 21.538 -4.673 0.179 1.00 0.00 O ATOM 1151 CB SER A 78 20.682 -8.142 0.060 1.00 0.00 C ATOM 1152 OG SER A 78 21.085 -8.174 -1.281 1.00 0.00 O ATOM 0 H SER A 78 19.439 -6.492 -1.341 1.00 0.00 H new ATOM 0 HA SER A 78 19.919 -6.936 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 78 21.483 -8.542 0.682 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.821 -8.797 0.189 1.00 0.00 H new ATOM 0 HG SER A 78 22.062 -8.228 -1.328 1.00 0.00 H new ATOM 1158 N LEU A 79 22.241 -5.921 1.870 1.00 0.00 N ATOM 1159 CA LEU A 79 23.448 -5.139 2.139 1.00 0.00 C ATOM 1160 C LEU A 79 24.524 -6.150 2.520 1.00 0.00 C ATOM 1161 O LEU A 79 25.317 -5.948 3.439 1.00 0.00 O ATOM 1162 CB LEU A 79 23.229 -4.040 3.205 1.00 0.00 C ATOM 1163 CG LEU A 79 22.381 -2.845 2.725 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.863 -2.962 2.932 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.834 -1.547 3.409 1.00 0.00 C ATOM 0 H LEU A 79 22.075 -6.656 2.558 1.00 0.00 H new ATOM 0 HA LEU A 79 23.752 -4.572 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.746 -4.486 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.201 -3.671 3.534 1.00 0.00 H new ATOM 0 HG LEU A 79 22.554 -2.838 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.374 -2.063 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.488 -3.832 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.648 -3.074 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.222 -0.717 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.722 -1.646 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.880 -1.355 3.169 1.00 0.00 H new ATOM 1177 N CYS A 80 24.489 -7.291 1.832 1.00 0.00 N ATOM 1178 CA CYS A 80 25.236 -8.495 2.112 1.00 0.00 C ATOM 1179 C CYS A 80 26.521 -8.551 1.273 1.00 0.00 C ATOM 1180 O CYS A 80 27.206 -9.574 1.289 1.00 0.00 O ATOM 1181 CB CYS A 80 24.293 -9.689 1.862 1.00 0.00 C ATOM 1182 SG CYS A 80 22.801 -9.537 2.897 1.00 0.00 S ATOM 0 H CYS A 80 23.894 -7.395 1.010 1.00 0.00 H new ATOM 0 HA CYS A 80 25.572 -8.521 3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.012 -9.726 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 80 24.808 -10.623 2.088 1.00 0.00 H new ATOM 0 HG CYS A 80 23.148 -9.439 4.146 1.00 0.00 H new ATOM 1188 N GLY A 81 26.862 -7.474 0.549 1.00 0.00 N ATOM 1189 CA GLY A 81 28.138 -7.361 -0.146 1.00 0.00 C ATOM 1190 C GLY A 81 28.030 -7.750 -1.618 1.00 0.00 C ATOM 1191 O GLY A 81 28.986 -8.298 -2.167 1.00 0.00 O ATOM 0 H GLY A 81 26.256 -6.662 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.502 -6.337 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.874 -7.999 0.343 1.00 0.00 H new ATOM 1195 N CYS A 82 26.864 -7.499 -2.229 1.00 0.00 N ATOM 1196 CA CYS A 82 26.531 -7.705 -3.641 1.00 0.00 C ATOM 1197 C CYS A 82 27.077 -8.996 -4.284 1.00 0.00 C ATOM 1198 O CYS A 82 27.448 -9.002 -5.462 1.00 0.00 O ATOM 1199 CB CYS A 82 26.800 -6.405 -4.423 1.00 0.00 C ATOM 1200 SG CYS A 82 28.558 -5.926 -4.438 1.00 0.00 S ATOM 0 H CYS A 82 26.073 -7.119 -1.709 1.00 0.00 H new ATOM 0 HA CYS A 82 25.462 -7.913 -3.696 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.455 -6.528 -5.450 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.214 -5.597 -3.985 1.00 0.00 H new ATOM 0 HG CYS A 82 29.232 -6.723 -3.663 1.00 0.00 H new ATOM 1206 N GLY A 83 27.087 -10.102 -3.529 1.00 0.00 N ATOM 1207 CA GLY A 83 27.494 -11.421 -4.018 1.00 0.00 C ATOM 1208 C GLY A 83 26.902 -12.563 -3.189 1.00 0.00 C ATOM 1209 O GLY A 83 27.479 -13.649 -3.126 1.00 0.00 O ATOM 0 H GLY A 83 26.808 -10.103 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.183 -11.531 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.582 -11.491 -4.002 1.00 0.00 H new ATOM 1213 N VAL A 84 25.771 -12.313 -2.517 1.00 0.00 N ATOM 1214 CA VAL A 84 25.043 -13.295 -1.733 1.00 0.00 C ATOM 1215 C VAL A 84 24.238 -14.187 -2.680 1.00 0.00 C ATOM 1216 O VAL A 84 23.692 -13.731 -3.687 1.00 0.00 O ATOM 1217 CB VAL A 84 24.199 -12.573 -0.651 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.345 -11.416 -1.209 1.00 0.00 C ATOM 1219 CG2 VAL A 84 23.343 -13.542 0.183 1.00 0.00 C ATOM 0 H VAL A 84 25.332 -11.392 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 84 25.716 -13.956 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 84 24.932 -12.125 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.781 -10.956 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 84 23.996 -10.671 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 84 22.654 -11.802 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 84 22.774 -12.980 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.656 -14.077 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 84 23.992 -14.257 0.689 1.00 0.00 H new ATOM 1229 N ASN A 85 24.145 -15.470 -2.328 1.00 0.00 N ATOM 1230 CA ASN A 85 23.438 -16.487 -3.096 1.00 0.00 C ATOM 1231 C ASN A 85 21.999 -16.602 -2.578 1.00 0.00 C ATOM 1232 O ASN A 85 21.597 -17.635 -2.036 1.00 0.00 O ATOM 1233 CB ASN A 85 24.220 -17.808 -3.043 1.00 0.00 C ATOM 1234 CG ASN A 85 23.783 -18.729 -4.176 1.00 0.00 C ATOM 1235 OD1 ASN A 85 23.072 -19.714 -3.984 1.00 0.00 O ATOM 1236 ND2 ASN A 85 24.207 -18.413 -5.392 1.00 0.00 N ATOM 0 H ASN A 85 24.572 -15.837 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 85 23.373 -16.210 -4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 85 25.289 -17.609 -3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 85 24.055 -18.298 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.944 -18.991 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.796 -17.592 -5.529 1.00 0.00 H new ATOM 1243 N LEU A 86 21.256 -15.487 -2.630 1.00 0.00 N ATOM 1244 CA LEU A 86 19.895 -15.417 -2.091 1.00 0.00 C ATOM 1245 C LEU A 86 18.996 -16.429 -2.840 1.00 0.00 C ATOM 1246 O LEU A 86 19.207 -16.641 -4.040 1.00 0.00 O ATOM 1247 CB LEU A 86 19.289 -14.006 -2.247 1.00 0.00 C ATOM 1248 CG LEU A 86 20.033 -12.868 -1.528 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.535 -11.499 -1.997 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.901 -12.929 -0.001 1.00 0.00 C ATOM 0 H LEU A 86 21.582 -14.614 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 86 19.945 -15.654 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.242 -13.768 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.263 -14.031 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 86 21.083 -13.003 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.079 -10.714 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.701 -11.399 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.470 -11.407 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.449 -12.099 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.849 -12.861 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.312 -13.871 0.362 1.00 0.00 H new ATOM 1262 N PRO A 87 17.983 -17.030 -2.182 1.00 0.00 N ATOM 1263 CA PRO A 87 16.970 -17.843 -2.855 1.00 0.00 C ATOM 1264 C PRO A 87 16.251 -17.059 -3.967 1.00 0.00 C ATOM 1265 O PRO A 87 16.156 -15.835 -3.874 1.00 0.00 O ATOM 1266 CB PRO A 87 15.978 -18.285 -1.778 1.00 0.00 C ATOM 1267 CG PRO A 87 16.704 -18.059 -0.451 1.00 0.00 C ATOM 1268 CD PRO A 87 17.752 -16.989 -0.747 1.00 0.00 C ATOM 0 HA PRO A 87 17.437 -18.699 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.057 -17.704 -1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.701 -19.332 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.013 -17.730 0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.169 -18.978 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.401 -16.005 -0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.674 -17.185 -0.199 1.00 0.00 H new ATOM 1276 N PRO A 88 15.642 -17.722 -4.964 1.00 0.00 N ATOM 1277 CA PRO A 88 15.142 -17.037 -6.152 1.00 0.00 C ATOM 1278 C PRO A 88 14.006 -16.037 -5.891 1.00 0.00 C ATOM 1279 O PRO A 88 13.860 -15.062 -6.625 1.00 0.00 O ATOM 1280 CB PRO A 88 14.744 -18.142 -7.139 1.00 0.00 C ATOM 1281 CG PRO A 88 14.521 -19.367 -6.253 1.00 0.00 C ATOM 1282 CD PRO A 88 15.521 -19.164 -5.118 1.00 0.00 C ATOM 0 HA PRO A 88 15.924 -16.395 -6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.841 -17.879 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.527 -18.320 -7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.497 -19.415 -5.883 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.709 -20.295 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 88 15.170 -19.630 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 88 16.484 -19.616 -5.357 1.00 0.00 H new ATOM 1290 N GLU A 89 13.226 -16.202 -4.822 1.00 0.00 N ATOM 1291 CA GLU A 89 12.132 -15.297 -4.496 1.00 0.00 C ATOM 1292 C GLU A 89 12.643 -13.897 -4.145 1.00 0.00 C ATOM 1293 O GLU A 89 11.939 -12.899 -4.304 1.00 0.00 O ATOM 1294 CB GLU A 89 11.305 -15.895 -3.360 1.00 0.00 C ATOM 1295 CG GLU A 89 12.110 -16.289 -2.115 1.00 0.00 C ATOM 1296 CD GLU A 89 11.184 -16.816 -1.013 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.370 -16.009 -0.514 1.00 0.00 O ATOM 1298 OE2 GLU A 89 11.296 -18.010 -0.638 1.00 0.00 O ATOM 0 H GLU A 89 13.338 -16.969 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 89 11.496 -15.182 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.541 -15.175 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.785 -16.777 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.843 -17.052 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.666 -15.426 -1.748 1.00 0.00 H new ATOM 1305 N TRP A 90 13.895 -13.820 -3.692 1.00 0.00 N ATOM 1306 CA TRP A 90 14.577 -12.580 -3.392 1.00 0.00 C ATOM 1307 C TRP A 90 14.968 -11.800 -4.653 1.00 0.00 C ATOM 1308 O TRP A 90 15.352 -10.639 -4.515 1.00 0.00 O ATOM 1309 CB TRP A 90 15.794 -12.871 -2.504 1.00 0.00 C ATOM 1310 CG TRP A 90 15.483 -13.385 -1.120 1.00 0.00 C ATOM 1311 CD1 TRP A 90 15.133 -14.644 -0.774 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.407 -12.634 0.124 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.808 -14.697 0.573 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.886 -13.454 1.160 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.628 -11.290 0.441 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.545 -12.939 2.422 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.302 -10.742 1.690 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.742 -11.568 2.683 1.00 0.00 C ATOM 0 H TRP A 90 14.470 -14.645 -3.522 1.00 0.00 H new ATOM 0 HA TRP A 90 13.885 -11.934 -2.851 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.424 -13.602 -3.010 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.379 -11.956 -2.409 1.00 0.00 H new ATOM 0 HD1 TRP A 90 15.110 -15.487 -1.449 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.544 -15.550 1.067 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.068 -10.647 -0.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.136 -13.587 3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.479 -9.695 1.888 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.465 -11.153 3.641 1.00 0.00 H new ATOM 1329 N VAL A 91 14.839 -12.371 -5.860 1.00 0.00 N ATOM 1330 CA VAL A 91 15.216 -11.712 -7.103 1.00 0.00 C ATOM 1331 C VAL A 91 14.032 -11.493 -8.053 1.00 0.00 C ATOM 1332 O VAL A 91 14.130 -10.660 -8.954 1.00 0.00 O ATOM 1333 CB VAL A 91 16.416 -12.409 -7.774 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.625 -12.475 -6.823 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.157 -13.822 -8.305 1.00 0.00 C ATOM 0 H VAL A 91 14.466 -13.311 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 91 15.548 -10.708 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 91 16.615 -11.779 -8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.456 -12.972 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.923 -11.465 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.354 -13.035 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.069 -14.214 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.851 -14.469 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.367 -13.790 -9.055 1.00 0.00 H new ATOM 1345 N THR A 92 12.899 -12.171 -7.848 1.00 0.00 N ATOM 1346 CA THR A 92 11.698 -12.015 -8.680 1.00 0.00 C ATOM 1347 C THR A 92 10.932 -10.714 -8.366 1.00 0.00 C ATOM 1348 O THR A 92 10.027 -10.309 -9.100 1.00 0.00 O ATOM 1349 CB THR A 92 10.840 -13.275 -8.524 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.669 -13.577 -7.149 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.573 -14.442 -9.194 1.00 0.00 C ATOM 0 H THR A 92 12.787 -12.849 -7.095 1.00 0.00 H new ATOM 0 HA THR A 92 11.985 -11.913 -9.727 1.00 0.00 H new ATOM 0 HB THR A 92 9.864 -13.113 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.118 -14.382 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.979 -15.350 -9.094 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.722 -14.220 -10.251 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.541 -14.587 -8.714 1.00 0.00 H new ATOM 1359 N GLN A 93 11.324 -10.069 -7.266 1.00 0.00 N ATOM 1360 CA GLN A 93 10.997 -8.752 -6.785 1.00 0.00 C ATOM 1361 C GLN A 93 11.029 -7.707 -7.913 1.00 0.00 C ATOM 1362 O GLN A 93 11.749 -7.848 -8.905 1.00 0.00 O ATOM 1363 CB GLN A 93 12.097 -8.450 -5.750 1.00 0.00 C ATOM 1364 CG GLN A 93 12.238 -9.445 -4.592 1.00 0.00 C ATOM 1365 CD GLN A 93 10.999 -9.491 -3.722 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.732 -8.575 -2.953 1.00 0.00 O ATOM 1367 NE2 GLN A 93 10.246 -10.566 -3.818 1.00 0.00 N ATOM 0 H GLN A 93 11.961 -10.531 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 93 9.990 -8.711 -6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.052 -8.397 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.908 -7.462 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.436 -10.439 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.098 -9.170 -3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.499 -11.309 -4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.410 -10.656 -3.241 1.00 0.00 H new ATOM 1376 N GLU A 94 10.296 -6.611 -7.720 1.00 0.00 N ATOM 1377 CA GLU A 94 10.309 -5.429 -8.553 1.00 0.00 C ATOM 1378 C GLU A 94 11.708 -4.796 -8.533 1.00 0.00 C ATOM 1379 O GLU A 94 12.188 -4.333 -9.569 1.00 0.00 O ATOM 1380 CB GLU A 94 9.201 -4.495 -8.030 1.00 0.00 C ATOM 1381 CG GLU A 94 9.397 -3.007 -8.306 1.00 0.00 C ATOM 1382 CD GLU A 94 9.435 -2.616 -9.801 1.00 0.00 C ATOM 1383 OE1 GLU A 94 8.849 -3.331 -10.653 1.00 0.00 O ATOM 1384 OE2 GLU A 94 10.021 -1.556 -10.126 1.00 0.00 O ATOM 0 H GLU A 94 9.648 -6.529 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 94 10.103 -5.656 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.254 -4.805 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.112 -4.636 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.591 -2.455 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.328 -2.686 -7.839 1.00 0.00 H new ATOM 1391 N ILE A 95 12.386 -4.844 -7.379 1.00 0.00 N ATOM 1392 CA ILE A 95 13.785 -4.457 -7.254 1.00 0.00 C ATOM 1393 C ILE A 95 14.524 -5.545 -6.488 1.00 0.00 C ATOM 1394 O ILE A 95 14.051 -6.027 -5.456 1.00 0.00 O ATOM 1395 CB ILE A 95 13.950 -3.143 -6.457 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.403 -1.865 -7.095 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.405 -2.865 -6.024 1.00 0.00 C ATOM 1398 CD1 ILE A 95 14.159 -1.343 -8.320 1.00 0.00 C ATOM 0 H ILE A 95 11.969 -5.156 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 95 14.182 -4.317 -8.260 1.00 0.00 H new ATOM 0 HB ILE A 95 13.318 -3.362 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.367 -2.042 -7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.395 -1.081 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.447 -1.927 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.757 -3.678 -5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.040 -2.793 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.679 -0.435 -8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 95 15.190 -1.123 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.146 -2.099 -9.105 1.00 0.00 H new ATOM 1410 N PHE A 96 15.712 -5.867 -6.984 1.00 0.00 N ATOM 1411 CA PHE A 96 16.693 -6.659 -6.280 1.00 0.00 C ATOM 1412 C PHE A 96 17.975 -5.883 -6.541 1.00 0.00 C ATOM 1413 O PHE A 96 18.430 -5.760 -7.683 1.00 0.00 O ATOM 1414 CB PHE A 96 16.802 -8.135 -6.674 1.00 0.00 C ATOM 1415 CG PHE A 96 18.151 -8.713 -6.254 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.624 -8.550 -4.932 1.00 0.00 C ATOM 1417 CD2 PHE A 96 19.003 -9.284 -7.221 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.935 -8.926 -4.592 1.00 0.00 C ATOM 1419 CE2 PHE A 96 20.298 -9.701 -6.867 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.770 -9.514 -5.557 1.00 0.00 C ATOM 0 H PHE A 96 16.021 -5.574 -7.911 1.00 0.00 H new ATOM 0 HA PHE A 96 16.424 -6.768 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.997 -8.701 -6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.678 -8.238 -7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.973 -8.133 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.659 -9.402 -8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.301 -8.763 -3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.933 -10.167 -7.606 1.00 0.00 H new ATOM 0 HZ PHE A 96 21.771 -9.821 -5.293 1.00 0.00 H new ATOM 1430 N GLU A 97 18.501 -5.314 -5.472 1.00 0.00 N ATOM 1431 CA GLU A 97 19.759 -4.603 -5.420 1.00 0.00 C ATOM 1432 C GLU A 97 20.453 -5.078 -4.144 1.00 0.00 C ATOM 1433 O GLU A 97 19.840 -5.713 -3.277 1.00 0.00 O ATOM 1434 CB GLU A 97 19.505 -3.086 -5.374 1.00 0.00 C ATOM 1435 CG GLU A 97 19.281 -2.433 -6.739 1.00 0.00 C ATOM 1436 CD GLU A 97 18.928 -0.942 -6.597 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.704 -0.181 -5.971 1.00 0.00 O ATOM 1438 OE2 GLU A 97 17.887 -0.514 -7.154 1.00 0.00 O ATOM 0 H GLU A 97 18.032 -5.339 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 97 20.375 -4.797 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.633 -2.896 -4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.355 -2.604 -4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.180 -2.539 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.478 -2.950 -7.264 1.00 0.00 H new ATOM 1445 N ASP A 98 21.728 -4.735 -4.015 1.00 0.00 N ATOM 1446 CA ASP A 98 22.473 -4.939 -2.789 1.00 0.00 C ATOM 1447 C ASP A 98 23.394 -3.747 -2.590 1.00 0.00 C ATOM 1448 O ASP A 98 24.226 -3.441 -3.450 1.00 0.00 O ATOM 1449 CB ASP A 98 23.242 -6.255 -2.792 1.00 0.00 C ATOM 1450 CG ASP A 98 23.948 -6.508 -1.454 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.915 -5.806 -1.086 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.579 -7.502 -0.796 1.00 0.00 O ATOM 0 H ASP A 98 22.273 -4.306 -4.763 1.00 0.00 H new ATOM 0 HA ASP A 98 21.777 -5.011 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.556 -7.076 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.979 -6.243 -3.595 1.00 0.00 H new ATOM 1457 N TRP A 99 23.191 -3.031 -1.489 1.00 0.00 N ATOM 1458 CA TRP A 99 23.927 -1.828 -1.152 1.00 0.00 C ATOM 1459 C TRP A 99 25.069 -2.241 -0.226 1.00 0.00 C ATOM 1460 O TRP A 99 24.980 -2.116 0.990 1.00 0.00 O ATOM 1461 CB TRP A 99 22.965 -0.770 -0.582 1.00 0.00 C ATOM 1462 CG TRP A 99 21.827 -0.348 -1.468 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.697 -0.536 -2.806 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.607 0.332 -1.059 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.467 -0.077 -3.230 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.728 0.418 -2.181 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.152 0.858 0.168 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.421 0.916 -2.063 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.851 1.381 0.286 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.984 1.381 -0.816 1.00 0.00 C ATOM 0 H TRP A 99 22.491 -3.282 -0.791 1.00 0.00 H new ATOM 0 HA TRP A 99 24.376 -1.346 -2.021 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.548 -1.155 0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.546 0.117 -0.328 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.446 -0.980 -3.445 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.147 -0.102 -4.198 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.809 0.859 1.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.763 0.940 -2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.518 1.785 1.231 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.972 1.742 -0.703 1.00 0.00 H new ATOM 1481 N GLN A 100 26.137 -2.770 -0.823 1.00 0.00 N ATOM 1482 CA GLN A 100 27.388 -3.259 -0.221 1.00 0.00 C ATOM 1483 C GLN A 100 28.175 -2.246 0.657 1.00 0.00 C ATOM 1484 O GLN A 100 29.379 -2.409 0.851 1.00 0.00 O ATOM 1485 CB GLN A 100 28.293 -3.764 -1.359 1.00 0.00 C ATOM 1486 CG GLN A 100 28.804 -2.709 -2.357 1.00 0.00 C ATOM 1487 CD GLN A 100 27.721 -2.143 -3.278 1.00 0.00 C ATOM 1488 OE1 GLN A 100 27.234 -1.033 -3.086 1.00 0.00 O ATOM 1489 NE2 GLN A 100 27.283 -2.911 -4.260 1.00 0.00 N ATOM 0 H GLN A 100 26.155 -2.880 -1.837 1.00 0.00 H new ATOM 0 HA GLN A 100 27.096 -4.043 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 100 29.157 -4.257 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.746 -4.523 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 100 29.258 -1.889 -1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.590 -3.153 -2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 100 27.695 -3.832 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.533 -2.583 -4.868 1.00 0.00 H new ATOM 1498 N LEU A 101 27.550 -1.169 1.134 1.00 0.00 N ATOM 1499 CA LEU A 101 28.226 -0.034 1.752 1.00 0.00 C ATOM 1500 C LEU A 101 29.002 -0.392 3.021 1.00 0.00 C ATOM 1501 O LEU A 101 28.413 -0.903 3.976 1.00 0.00 O ATOM 1502 CB LEU A 101 27.218 1.090 2.098 1.00 0.00 C ATOM 1503 CG LEU A 101 26.826 2.080 0.981 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.980 3.030 0.652 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.376 1.390 -0.307 1.00 0.00 C ATOM 0 H LEU A 101 26.536 -1.062 1.099 1.00 0.00 H new ATOM 0 HA LEU A 101 28.945 0.305 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.305 0.619 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.632 1.667 2.925 1.00 0.00 H new ATOM 0 HG LEU A 101 25.979 2.640 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.673 3.715 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.248 3.599 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.842 2.453 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.115 2.143 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.186 0.768 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.506 0.766 -0.101 1.00 0.00 H new ATOM 1517 N GLU A 102 30.273 0.024 3.047 1.00 0.00 N ATOM 1518 CA GLU A 102 31.202 0.031 4.173 1.00 0.00 C ATOM 1519 C GLU A 102 31.238 -1.286 4.968 1.00 0.00 C ATOM 1520 O GLU A 102 30.961 -2.359 4.431 1.00 0.00 O ATOM 1521 CB GLU A 102 30.959 1.328 4.987 1.00 0.00 C ATOM 1522 CG GLU A 102 32.250 2.150 5.156 1.00 0.00 C ATOM 1523 CD GLU A 102 33.347 1.432 5.967 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.130 1.166 7.174 1.00 0.00 O ATOM 1525 OE2 GLU A 102 34.412 1.112 5.388 1.00 0.00 O ATOM 0 H GLU A 102 30.712 0.396 2.205 1.00 0.00 H new ATOM 0 HA GLU A 102 32.230 0.063 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.205 1.935 4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.561 1.071 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.644 2.396 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 102 32.007 3.092 5.647 1.00 0.00 H new ATOM 1532 N ASP A 103 31.681 -1.213 6.220 1.00 0.00 N ATOM 1533 CA ASP A 103 31.823 -2.301 7.187 1.00 0.00 C ATOM 1534 C ASP A 103 31.968 -1.678 8.589 1.00 0.00 C ATOM 1535 O ASP A 103 33.077 -1.598 9.121 1.00 0.00 O ATOM 1536 CB ASP A 103 33.031 -3.172 6.812 1.00 0.00 C ATOM 1537 CG ASP A 103 33.124 -4.393 7.730 1.00 0.00 C ATOM 1538 OD1 ASP A 103 32.089 -5.081 7.905 1.00 0.00 O ATOM 1539 OD2 ASP A 103 34.227 -4.714 8.228 1.00 0.00 O ATOM 0 H ASP A 103 31.974 -0.321 6.618 1.00 0.00 H new ATOM 0 HA ASP A 103 30.947 -2.950 7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.944 -3.496 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.946 -2.585 6.886 1.00 0.00 H new ATOM 1544 N PRO A 104 30.867 -1.158 9.179 1.00 0.00 N ATOM 1545 CA PRO A 104 30.913 -0.350 10.395 1.00 0.00 C ATOM 1546 C PRO A 104 31.454 -1.056 11.648 1.00 0.00 C ATOM 1547 O PRO A 104 31.723 -0.351 12.610 1.00 0.00 O ATOM 1548 CB PRO A 104 29.495 0.176 10.658 1.00 0.00 C ATOM 1549 CG PRO A 104 28.786 -0.008 9.323 1.00 0.00 C ATOM 1550 CD PRO A 104 29.502 -1.204 8.689 1.00 0.00 C ATOM 0 HA PRO A 104 31.632 0.448 10.211 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.002 -0.383 11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.507 1.222 10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.723 -0.205 9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.868 0.883 8.701 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.019 -2.141 8.967 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.476 -1.143 7.601 1.00 0.00 H new ATOM 1558 N ASP A 105 31.592 -2.392 11.650 1.00 0.00 N ATOM 1559 CA ASP A 105 32.224 -3.239 12.681 1.00 0.00 C ATOM 1560 C ASP A 105 32.204 -2.628 14.093 1.00 0.00 C ATOM 1561 O ASP A 105 31.201 -2.765 14.799 1.00 0.00 O ATOM 1562 CB ASP A 105 33.650 -3.599 12.230 1.00 0.00 C ATOM 1563 CG ASP A 105 34.409 -4.422 13.291 1.00 0.00 C ATOM 1564 OD1 ASP A 105 33.840 -5.397 13.836 1.00 0.00 O ATOM 1565 OD2 ASP A 105 35.582 -4.086 13.581 1.00 0.00 O ATOM 0 H ASP A 105 31.239 -2.952 10.874 1.00 0.00 H new ATOM 0 HA ASP A 105 31.626 -4.146 12.772 1.00 0.00 H new ATOM 0 HB2 ASP A 105 33.602 -4.165 11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 105 34.204 -2.684 12.018 1.00 0.00 H new ATOM 1570 N GLY A 106 33.264 -1.904 14.457 1.00 0.00 N ATOM 1571 CA GLY A 106 33.397 -1.089 15.661 1.00 0.00 C ATOM 1572 C GLY A 106 34.122 0.220 15.324 1.00 0.00 C ATOM 1573 O GLY A 106 35.092 0.592 15.991 1.00 0.00 O ATOM 0 H GLY A 106 34.105 -1.871 13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.412 -0.874 16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.951 -1.637 16.423 1.00 0.00 H new ATOM 1577 N GLN A 107 33.713 0.851 14.218 1.00 0.00 N ATOM 1578 CA GLN A 107 34.335 2.018 13.598 1.00 0.00 C ATOM 1579 C GLN A 107 34.256 3.294 14.444 1.00 0.00 C ATOM 1580 O GLN A 107 33.611 3.366 15.494 1.00 0.00 O ATOM 1581 CB GLN A 107 33.668 2.264 12.227 1.00 0.00 C ATOM 1582 CG GLN A 107 34.285 1.388 11.130 1.00 0.00 C ATOM 1583 CD GLN A 107 35.399 2.086 10.352 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.311 2.671 10.933 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.342 2.052 9.028 1.00 0.00 N ATOM 0 H GLN A 107 32.889 0.539 13.704 1.00 0.00 H new ATOM 0 HA GLN A 107 35.397 1.793 13.495 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.600 2.058 12.300 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.772 3.314 11.955 1.00 0.00 H new ATOM 0 HG2 GLN A 107 34.682 0.479 11.582 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.502 1.083 10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.578 1.562 8.563 1.00 0.00 H new ATOM 0 HE22 GLN A 107 36.062 2.516 8.474 1.00 0.00 H new ATOM 1594 N SER A 108 34.918 4.319 13.911 1.00 0.00 N ATOM 1595 CA SER A 108 34.828 5.691 14.392 1.00 0.00 C ATOM 1596 C SER A 108 33.414 6.230 14.151 1.00 0.00 C ATOM 1597 O SER A 108 32.762 5.842 13.176 1.00 0.00 O ATOM 1598 CB SER A 108 35.874 6.558 13.672 1.00 0.00 C ATOM 1599 OG SER A 108 37.166 5.969 13.783 1.00 0.00 O ATOM 0 H SER A 108 35.546 4.213 13.114 1.00 0.00 H new ATOM 0 HA SER A 108 35.030 5.720 15.463 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.605 6.666 12.621 1.00 0.00 H new ATOM 0 HB3 SER A 108 35.885 7.559 14.103 1.00 0.00 H new ATOM 0 HG SER A 108 37.822 6.530 13.319 1.00 0.00 H new ATOM 1605 N LEU A 109 32.958 7.181 14.980 1.00 0.00 N ATOM 1606 CA LEU A 109 31.624 7.783 14.859 1.00 0.00 C ATOM 1607 C LEU A 109 31.426 8.403 13.483 1.00 0.00 C ATOM 1608 O LEU A 109 30.334 8.343 12.933 1.00 0.00 O ATOM 1609 CB LEU A 109 31.381 8.882 15.918 1.00 0.00 C ATOM 1610 CG LEU A 109 31.385 8.460 17.400 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.901 9.643 18.252 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.513 7.232 17.668 1.00 0.00 C ATOM 0 H LEU A 109 33.506 7.554 15.755 1.00 0.00 H new ATOM 0 HA LEU A 109 30.913 6.972 15.015 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.143 9.650 15.786 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.419 9.347 15.704 1.00 0.00 H new ATOM 0 HG LEU A 109 32.405 8.183 17.666 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.899 9.357 19.304 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.569 10.492 18.108 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.891 9.920 17.950 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.554 6.981 18.728 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.483 7.449 17.386 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.880 6.390 17.081 1.00 0.00 H new ATOM 1624 N GLU A 110 32.487 8.972 12.912 1.00 0.00 N ATOM 1625 CA GLU A 110 32.429 9.628 11.607 1.00 0.00 C ATOM 1626 C GLU A 110 32.026 8.647 10.531 1.00 0.00 C ATOM 1627 O GLU A 110 31.271 9.011 9.631 1.00 0.00 O ATOM 1628 CB GLU A 110 33.783 10.253 11.245 1.00 0.00 C ATOM 1629 CG GLU A 110 34.142 11.351 12.239 1.00 0.00 C ATOM 1630 CD GLU A 110 35.406 12.120 11.814 1.00 0.00 C ATOM 1631 OE1 GLU A 110 36.534 11.665 12.135 1.00 0.00 O ATOM 1632 OE2 GLU A 110 35.287 13.190 11.168 1.00 0.00 O ATOM 0 H GLU A 110 33.412 8.991 13.342 1.00 0.00 H new ATOM 0 HA GLU A 110 31.680 10.418 11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 110 34.557 9.486 11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 110 33.743 10.665 10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.307 12.046 12.329 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.299 10.912 13.224 1.00 0.00 H new ATOM 1639 N VAL A 111 32.470 7.393 10.618 1.00 0.00 N ATOM 1640 CA VAL A 111 32.082 6.426 9.620 1.00 0.00 C ATOM 1641 C VAL A 111 30.635 6.021 9.867 1.00 0.00 C ATOM 1642 O VAL A 111 29.875 6.002 8.908 1.00 0.00 O ATOM 1643 CB VAL A 111 33.071 5.252 9.553 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.717 4.352 8.365 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.520 5.743 9.384 1.00 0.00 C ATOM 0 H VAL A 111 33.082 7.040 11.353 1.00 0.00 H new ATOM 0 HA VAL A 111 32.128 6.868 8.625 1.00 0.00 H new ATOM 0 HB VAL A 111 32.997 4.700 10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.419 3.519 8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.705 3.967 8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.775 4.928 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.192 4.886 9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.604 6.317 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 111 34.791 6.374 10.230 1.00 0.00 H new ATOM 1655 N PHE A 112 30.190 5.823 11.113 1.00 0.00 N ATOM 1656 CA PHE A 112 28.764 5.596 11.360 1.00 0.00 C ATOM 1657 C PHE A 112 27.918 6.739 10.765 1.00 0.00 C ATOM 1658 O PHE A 112 26.931 6.462 10.088 1.00 0.00 O ATOM 1659 CB PHE A 112 28.477 5.376 12.856 1.00 0.00 C ATOM 1660 CG PHE A 112 28.857 4.003 13.367 1.00 0.00 C ATOM 1661 CD1 PHE A 112 27.960 2.931 13.196 1.00 0.00 C ATOM 1662 CD2 PHE A 112 30.074 3.801 14.041 1.00 0.00 C ATOM 1663 CE1 PHE A 112 28.283 1.660 13.697 1.00 0.00 C ATOM 1664 CE2 PHE A 112 30.394 2.526 14.535 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.504 1.456 14.363 1.00 0.00 C ATOM 0 H PHE A 112 30.780 5.815 11.945 1.00 0.00 H new ATOM 0 HA PHE A 112 28.474 4.677 10.851 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.017 6.128 13.432 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.414 5.537 13.038 1.00 0.00 H new ATOM 0 HD1 PHE A 112 27.024 3.087 12.680 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.760 4.623 14.178 1.00 0.00 H new ATOM 0 HE1 PHE A 112 27.593 0.839 13.571 1.00 0.00 H new ATOM 0 HE2 PHE A 112 31.330 2.369 15.050 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.756 0.477 14.742 1.00 0.00 H new ATOM 1675 N ARG A 113 28.333 8.009 10.914 1.00 0.00 N ATOM 1676 CA ARG A 113 27.650 9.153 10.279 1.00 0.00 C ATOM 1677 C ARG A 113 27.683 9.057 8.758 1.00 0.00 C ATOM 1678 O ARG A 113 26.675 9.300 8.098 1.00 0.00 O ATOM 1679 CB ARG A 113 28.303 10.499 10.662 1.00 0.00 C ATOM 1680 CG ARG A 113 28.091 10.925 12.119 1.00 0.00 C ATOM 1681 CD ARG A 113 28.559 12.370 12.328 1.00 0.00 C ATOM 1682 NE ARG A 113 28.111 12.892 13.630 1.00 0.00 N ATOM 1683 CZ ARG A 113 28.858 13.192 14.702 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.169 12.951 14.730 1.00 0.00 N ATOM 1685 NH2 ARG A 113 28.273 13.749 15.753 1.00 0.00 N ATOM 0 H ARG A 113 29.145 8.272 11.473 1.00 0.00 H new ATOM 0 HA ARG A 113 26.623 9.115 10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.374 10.435 10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 113 27.907 11.277 10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.037 10.836 12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 113 28.641 10.258 12.783 1.00 0.00 H new ATOM 0 HD2 ARG A 113 29.647 12.415 12.270 1.00 0.00 H new ATOM 0 HD3 ARG A 113 28.171 13.000 11.528 1.00 0.00 H new ATOM 0 HE ARG A 113 27.107 13.044 13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 113 30.627 12.528 13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 113 30.714 13.189 15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 113 27.272 13.942 15.737 1.00 0.00 H new ATOM 0 HH22 ARG A 113 28.824 13.985 16.578 1.00 0.00 H new ATOM 1699 N THR A 114 28.842 8.745 8.193 1.00 0.00 N ATOM 1700 CA THR A 114 29.038 8.786 6.754 1.00 0.00 C ATOM 1701 C THR A 114 28.248 7.658 6.098 1.00 0.00 C ATOM 1702 O THR A 114 27.561 7.889 5.109 1.00 0.00 O ATOM 1703 CB THR A 114 30.544 8.701 6.445 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.228 9.796 7.032 1.00 0.00 O ATOM 1705 CG2 THR A 114 30.847 8.705 4.943 1.00 0.00 C ATOM 0 H THR A 114 29.668 8.458 8.718 1.00 0.00 H new ATOM 0 HA THR A 114 28.667 9.725 6.344 1.00 0.00 H new ATOM 0 HB THR A 114 30.884 7.753 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.192 9.719 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 114 31.924 8.643 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.363 7.849 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 114 30.469 9.625 4.498 1.00 0.00 H new ATOM 1713 N VAL A 115 28.283 6.453 6.662 1.00 0.00 N ATOM 1714 CA VAL A 115 27.680 5.265 6.053 1.00 0.00 C ATOM 1715 C VAL A 115 26.176 5.489 6.030 1.00 0.00 C ATOM 1716 O VAL A 115 25.545 5.338 4.994 1.00 0.00 O ATOM 1717 CB VAL A 115 28.100 4.007 6.836 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.393 2.736 6.335 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.601 3.820 6.633 1.00 0.00 C ATOM 0 H VAL A 115 28.732 6.270 7.559 1.00 0.00 H new ATOM 0 HA VAL A 115 28.023 5.106 5.031 1.00 0.00 H new ATOM 0 HB VAL A 115 27.828 4.150 7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.726 1.879 6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.315 2.853 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.637 2.574 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.934 2.935 7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.812 3.695 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.131 4.696 7.008 1.00 0.00 H new ATOM 1729 N ARG A 116 25.624 5.960 7.148 1.00 0.00 N ATOM 1730 CA ARG A 116 24.250 6.439 7.266 1.00 0.00 C ATOM 1731 C ARG A 116 23.914 7.396 6.120 1.00 0.00 C ATOM 1732 O ARG A 116 22.945 7.150 5.413 1.00 0.00 O ATOM 1733 CB ARG A 116 24.172 7.079 8.663 1.00 0.00 C ATOM 1734 CG ARG A 116 22.998 8.014 8.958 1.00 0.00 C ATOM 1735 CD ARG A 116 23.393 8.935 10.110 1.00 0.00 C ATOM 1736 NE ARG A 116 24.089 10.154 9.632 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.498 11.183 10.388 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.288 11.190 11.691 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.145 12.205 9.841 1.00 0.00 N ATOM 0 H ARG A 116 26.140 6.020 8.026 1.00 0.00 H new ATOM 0 HA ARG A 116 23.506 5.648 7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.152 6.275 9.398 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.094 7.638 8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 116 22.748 8.599 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.111 7.438 9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.501 9.222 10.667 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.041 8.395 10.801 1.00 0.00 H new ATOM 0 HE ARG A 116 24.275 10.216 8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 116 23.809 10.406 12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 116 24.604 11.979 12.254 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.334 12.211 8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.453 12.984 10.423 1.00 0.00 H new ATOM 1753 N GLY A 117 24.701 8.448 5.896 1.00 0.00 N ATOM 1754 CA GLY A 117 24.399 9.416 4.842 1.00 0.00 C ATOM 1755 C GLY A 117 24.402 8.774 3.459 1.00 0.00 C ATOM 1756 O GLY A 117 23.495 8.990 2.656 1.00 0.00 O ATOM 0 H GLY A 117 25.548 8.651 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 117 23.424 9.865 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.132 10.222 4.869 1.00 0.00 H new ATOM 1760 N GLN A 118 25.372 7.904 3.192 1.00 0.00 N ATOM 1761 CA GLN A 118 25.480 7.212 1.916 1.00 0.00 C ATOM 1762 C GLN A 118 24.291 6.285 1.707 1.00 0.00 C ATOM 1763 O GLN A 118 23.727 6.243 0.614 1.00 0.00 O ATOM 1764 CB GLN A 118 26.818 6.461 1.852 1.00 0.00 C ATOM 1765 CG GLN A 118 27.970 7.473 1.897 1.00 0.00 C ATOM 1766 CD GLN A 118 29.354 6.817 1.950 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.548 5.776 2.576 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.351 7.413 1.312 1.00 0.00 N ATOM 0 H GLN A 118 26.106 7.660 3.857 1.00 0.00 H new ATOM 0 HA GLN A 118 25.461 7.938 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.898 5.765 2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.873 5.870 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.914 8.116 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.846 8.115 2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.182 8.276 0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.287 7.009 1.338 1.00 0.00 H new ATOM 1777 N VAL A 119 23.860 5.610 2.770 1.00 0.00 N ATOM 1778 CA VAL A 119 22.671 4.771 2.766 1.00 0.00 C ATOM 1779 C VAL A 119 21.460 5.654 2.481 1.00 0.00 C ATOM 1780 O VAL A 119 20.624 5.253 1.685 1.00 0.00 O ATOM 1781 CB VAL A 119 22.549 4.011 4.108 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.187 3.346 4.297 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.606 2.897 4.202 1.00 0.00 C ATOM 0 H VAL A 119 24.337 5.633 3.671 1.00 0.00 H new ATOM 0 HA VAL A 119 22.734 4.013 1.986 1.00 0.00 H new ATOM 0 HB VAL A 119 22.691 4.767 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.164 2.829 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.405 4.105 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.018 2.628 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.502 2.376 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.464 2.191 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.602 3.334 4.135 1.00 0.00 H new ATOM 1793 N LYS A 120 21.348 6.850 3.069 1.00 0.00 N ATOM 1794 CA LYS A 120 20.150 7.669 2.904 1.00 0.00 C ATOM 1795 C LYS A 120 19.915 8.024 1.444 1.00 0.00 C ATOM 1796 O LYS A 120 18.772 8.029 0.996 1.00 0.00 O ATOM 1797 CB LYS A 120 20.166 8.889 3.846 1.00 0.00 C ATOM 1798 CG LYS A 120 20.786 10.222 3.359 1.00 0.00 C ATOM 1799 CD LYS A 120 19.899 11.417 3.753 1.00 0.00 C ATOM 1800 CE LYS A 120 18.592 11.488 2.929 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.735 12.267 1.673 1.00 0.00 N ATOM 0 H LYS A 120 22.068 7.267 3.658 1.00 0.00 H new ATOM 0 HA LYS A 120 19.286 7.076 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.134 9.094 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.695 8.595 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.780 10.344 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.909 10.196 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 120 19.652 11.347 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.460 12.341 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.267 10.476 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 120 17.809 11.936 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.827 12.278 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 19.017 13.242 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 19.461 11.827 1.073 1.00 0.00 H new ATOM 1815 N GLU A 121 20.986 8.266 0.693 1.00 0.00 N ATOM 1816 CA GLU A 121 20.875 8.536 -0.728 1.00 0.00 C ATOM 1817 C GLU A 121 20.430 7.277 -1.461 1.00 0.00 C ATOM 1818 O GLU A 121 19.567 7.374 -2.328 1.00 0.00 O ATOM 1819 CB GLU A 121 22.205 9.041 -1.311 1.00 0.00 C ATOM 1820 CG GLU A 121 22.631 10.414 -0.778 1.00 0.00 C ATOM 1821 CD GLU A 121 21.572 11.504 -1.027 1.00 0.00 C ATOM 1822 OE1 GLU A 121 21.568 12.104 -2.129 1.00 0.00 O ATOM 1823 OE2 GLU A 121 20.745 11.764 -0.119 1.00 0.00 O ATOM 0 H GLU A 121 21.941 8.279 1.051 1.00 0.00 H new ATOM 0 HA GLU A 121 20.130 9.320 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.988 8.316 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.119 9.093 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 121 22.825 10.339 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.567 10.708 -1.252 1.00 0.00 H new ATOM 1830 N ARG A 122 20.968 6.093 -1.139 1.00 0.00 N ATOM 1831 CA ARG A 122 20.512 4.865 -1.789 1.00 0.00 C ATOM 1832 C ARG A 122 19.044 4.603 -1.462 1.00 0.00 C ATOM 1833 O ARG A 122 18.274 4.294 -2.367 1.00 0.00 O ATOM 1834 CB ARG A 122 21.363 3.657 -1.390 1.00 0.00 C ATOM 1835 CG ARG A 122 22.655 3.480 -2.193 1.00 0.00 C ATOM 1836 CD ARG A 122 23.759 4.462 -1.814 1.00 0.00 C ATOM 1837 NE ARG A 122 24.954 4.289 -2.663 1.00 0.00 N ATOM 1838 CZ ARG A 122 25.988 5.141 -2.740 1.00 0.00 C ATOM 1839 NH1 ARG A 122 26.006 6.249 -1.999 1.00 0.00 N ATOM 1840 NH2 ARG A 122 27.000 4.877 -3.559 1.00 0.00 N ATOM 0 H ARG A 122 21.705 5.963 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 122 20.622 5.007 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.619 3.745 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.760 2.755 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.022 2.464 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 122 22.430 3.593 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.388 5.482 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 122 24.031 4.319 -0.768 1.00 0.00 H new ATOM 0 HE ARG A 122 24.998 3.450 -3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.231 6.454 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 122 26.795 6.892 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 122 26.989 4.029 -4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 122 27.788 5.522 -3.621 1.00 0.00 H new ATOM 1854 N VAL A 123 18.635 4.801 -0.207 1.00 0.00 N ATOM 1855 CA VAL A 123 17.247 4.706 0.207 1.00 0.00 C ATOM 1856 C VAL A 123 16.403 5.633 -0.660 1.00 0.00 C ATOM 1857 O VAL A 123 15.446 5.193 -1.291 1.00 0.00 O ATOM 1858 CB VAL A 123 17.148 5.010 1.709 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.709 5.152 2.178 1.00 0.00 C ATOM 1860 CG2 VAL A 123 17.803 3.933 2.584 1.00 0.00 C ATOM 0 H VAL A 123 19.272 5.034 0.555 1.00 0.00 H new ATOM 0 HA VAL A 123 16.856 3.699 0.064 1.00 0.00 H new ATOM 0 HB VAL A 123 17.681 5.954 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.694 5.366 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.229 5.968 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.171 4.224 1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.700 4.205 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.315 2.975 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 123 18.860 3.853 2.332 1.00 0.00 H new ATOM 1870 N GLU A 124 16.780 6.898 -0.748 1.00 0.00 N ATOM 1871 CA GLU A 124 16.004 7.890 -1.455 1.00 0.00 C ATOM 1872 C GLU A 124 15.967 7.605 -2.958 1.00 0.00 C ATOM 1873 O GLU A 124 14.940 7.827 -3.594 1.00 0.00 O ATOM 1874 CB GLU A 124 16.570 9.248 -1.080 1.00 0.00 C ATOM 1875 CG GLU A 124 15.700 10.378 -1.614 1.00 0.00 C ATOM 1876 CD GLU A 124 16.220 11.765 -1.186 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.534 11.969 0.014 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.318 12.668 -2.053 1.00 0.00 O ATOM 0 H GLU A 124 17.636 7.262 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 124 14.954 7.865 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.645 9.326 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.580 9.345 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.666 10.325 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.679 10.248 -1.256 1.00 0.00 H new ATOM 1885 N ASN A 125 17.037 7.040 -3.519 1.00 0.00 N ATOM 1886 CA ASN A 125 17.073 6.553 -4.890 1.00 0.00 C ATOM 1887 C ASN A 125 16.066 5.433 -5.096 1.00 0.00 C ATOM 1888 O ASN A 125 15.304 5.478 -6.056 1.00 0.00 O ATOM 1889 CB ASN A 125 18.468 6.054 -5.282 1.00 0.00 C ATOM 1890 CG ASN A 125 19.325 7.160 -5.884 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.398 7.309 -7.101 1.00 0.00 O ATOM 1892 ND2 ASN A 125 19.972 7.966 -5.055 1.00 0.00 N ATOM 0 H ASN A 125 17.917 6.908 -3.020 1.00 0.00 H new ATOM 0 HA ASN A 125 16.814 7.397 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.967 5.647 -4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.372 5.239 -6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.543 8.726 -5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 125 19.899 7.826 -4.047 1.00 0.00 H new ATOM 1899 N LEU A 126 16.026 4.438 -4.207 1.00 0.00 N ATOM 1900 CA LEU A 126 15.046 3.350 -4.282 1.00 0.00 C ATOM 1901 C LEU A 126 13.650 3.939 -4.256 1.00 0.00 C ATOM 1902 O LEU A 126 12.840 3.619 -5.118 1.00 0.00 O ATOM 1903 CB LEU A 126 15.299 2.303 -3.173 1.00 0.00 C ATOM 1904 CG LEU A 126 14.081 1.672 -2.456 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.187 0.159 -2.361 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.884 2.185 -1.025 1.00 0.00 C ATOM 0 H LEU A 126 16.668 4.363 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 126 15.153 2.808 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.882 1.492 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.924 2.771 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 126 13.234 1.967 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.309 -0.236 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.245 -0.265 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.083 -0.109 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.013 1.702 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.768 1.955 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.730 3.264 -1.043 1.00 0.00 H new ATOM 1918 N ILE A 127 13.406 4.843 -3.319 1.00 0.00 N ATOM 1919 CA ILE A 127 12.137 5.537 -3.155 1.00 0.00 C ATOM 1920 C ILE A 127 11.779 6.270 -4.445 1.00 0.00 C ATOM 1921 O ILE A 127 10.637 6.196 -4.877 1.00 0.00 O ATOM 1922 CB ILE A 127 12.291 6.465 -1.939 1.00 0.00 C ATOM 1923 CG1 ILE A 127 11.907 5.648 -0.690 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.506 7.778 -1.979 1.00 0.00 C ATOM 1925 CD1 ILE A 127 12.856 5.944 0.461 1.00 0.00 C ATOM 0 H ILE A 127 14.106 5.122 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 127 11.308 4.855 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 127 13.329 6.797 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.885 5.885 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.933 4.584 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.697 8.344 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.821 8.364 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.440 7.563 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.566 5.356 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.874 5.683 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.810 7.005 0.707 1.00 0.00 H new ATOM 1937 N ALA A 128 12.739 6.924 -5.097 1.00 0.00 N ATOM 1938 CA ALA A 128 12.488 7.637 -6.337 1.00 0.00 C ATOM 1939 C ALA A 128 11.980 6.705 -7.449 1.00 0.00 C ATOM 1940 O ALA A 128 11.243 7.154 -8.331 1.00 0.00 O ATOM 1941 CB ALA A 128 13.741 8.406 -6.769 1.00 0.00 C ATOM 0 H ALA A 128 13.707 6.971 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 128 11.690 8.357 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.540 8.936 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.013 9.123 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.563 7.706 -6.920 1.00 0.00 H new ATOM 1947 N LYS A 129 12.342 5.415 -7.417 1.00 0.00 N ATOM 1948 CA LYS A 129 11.835 4.427 -8.357 1.00 0.00 C ATOM 1949 C LYS A 129 10.409 3.990 -8.014 1.00 0.00 C ATOM 1950 O LYS A 129 9.595 3.836 -8.928 1.00 0.00 O ATOM 1951 CB LYS A 129 12.744 3.190 -8.390 1.00 0.00 C ATOM 1952 CG LYS A 129 14.206 3.533 -8.704 1.00 0.00 C ATOM 1953 CD LYS A 129 15.089 2.306 -8.496 1.00 0.00 C ATOM 1954 CE LYS A 129 16.558 2.723 -8.644 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.468 1.569 -8.884 1.00 0.00 N ATOM 0 H LYS A 129 12.997 5.034 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 129 11.825 4.903 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.694 2.682 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.371 2.491 -9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.293 3.883 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.543 4.346 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.916 1.879 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.841 1.534 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.648 3.428 -9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.874 3.247 -7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.435 1.917 -9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.458 0.941 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.147 1.042 -9.722 1.00 0.00 H new ATOM 1969 N ILE A 130 10.105 3.774 -6.727 1.00 0.00 N ATOM 1970 CA ILE A 130 8.870 3.136 -6.295 1.00 0.00 C ATOM 1971 C ILE A 130 7.753 4.066 -5.821 1.00 0.00 C ATOM 1972 O ILE A 130 6.584 3.767 -6.087 1.00 0.00 O ATOM 1973 CB ILE A 130 9.177 2.053 -5.237 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.930 2.515 -3.974 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.798 0.829 -5.934 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.509 1.362 -3.137 1.00 0.00 C ATOM 0 H ILE A 130 10.718 4.042 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 130 8.460 2.688 -7.200 1.00 0.00 H new ATOM 0 HB ILE A 130 8.221 1.769 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.742 3.180 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.251 3.098 -3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.017 0.061 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.097 0.434 -6.669 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.720 1.124 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.024 1.767 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.700 0.709 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.214 0.792 -3.742 1.00 0.00 H new ATOM 1988 N SER A 131 8.065 5.120 -5.084 1.00 0.00 N ATOM 1989 CA SER A 131 7.082 5.997 -4.485 1.00 0.00 C ATOM 1990 C SER A 131 6.418 6.883 -5.549 1.00 0.00 C ATOM 1991 O SER A 131 7.050 7.186 -6.590 1.00 0.00 O ATOM 1992 CB SER A 131 7.757 6.834 -3.407 1.00 0.00 C ATOM 1993 OG SER A 131 8.366 5.969 -2.447 1.00 0.00 O ATOM 1994 OXT SER A 131 5.262 7.315 -5.325 1.00 0.00 O ATOM 0 H SER A 131 9.028 5.392 -4.884 1.00 0.00 H new ATOM 0 HA SER A 131 6.292 5.401 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.508 7.486 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.025 7.478 -2.920 1.00 0.00 H new ATOM 0 HG SER A 131 9.251 5.696 -2.768 1.00 0.00 H new