USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ -170:sc= 2.3 (180deg=1.17) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.616 K(o=2.9,f=-5.7!) USER MOD Set 2.1: A 43 HIS : no HE2:sc= 0.255 K(o=0.73,f=-0.19) USER MOD Set 2.2: A 45 THR OG1 : rot 104:sc= 0.474 USER MOD Set 3.1: A 16 GLN : amide:sc= 1.1 K(o=3.1,f=-1.1) USER MOD Set 3.2: A 34 SER OG : rot -58:sc= 2.04 USER MOD Set 4.1: A 15 SER OG : rot -159:sc= 0.137 USER MOD Set 4.2: A 40 SER OG : rot 178:sc= 0.902 USER MOD Set 4.3: A 62 SER OG : rot 160:sc= 0.806 USER MOD Set 5.1: A 8 CYS SG : rot -135:sc= 0.975 USER MOD Set 5.2: A 12 SER OG : rot -80:sc= 1.09 USER MOD Set 5.3: A 80 CYS SG : rot 20:sc= -0.588 USER MOD Set 6.1: A 2 LYS NZ :NH3+ 173:sc= 0.417 (180deg=0) USER MOD Set 6.2: A 131 SER OG : rot -165:sc= 0.629 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.00891 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.19) USER MOD Single : A 5 MET CE :methyl -163:sc= 0 (180deg=-0.726) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 13 CYS SG : rot 180:sc= 0.101 USER MOD Single : A 17 MET CE :methyl 171:sc= -1.28 (180deg=-1.37) USER MOD Single : A 24 THR OG1 : rot 81:sc= 0.796 USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.937) USER MOD Single : A 33 THR OG1 : rot -160:sc= -0.0102 USER MOD Single : A 35 CYS SG : rot 45:sc= -0.996 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 49 MET CE :methyl 167:sc= -0.0101 (180deg=-0.0491) USER MOD Single : A 50 MET CE :methyl -171:sc= 0 (180deg=-0.00964) USER MOD Single : A 58 SER OG : rot -90:sc= 1.27 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 67 ASN : amide:sc= 2.39 K(o=2.4,f=0.0026) USER MOD Single : A 69 ASN : amide:sc= 0.961 K(o=0.96,f=-0.11) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -152:sc= 0.33 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0023 K(o=-0.0023,f=-1.2) USER MOD Single : A 92 THR OG1 : rot -42:sc= 0.105 USER MOD Single : A 93 GLN : amide:sc= -0.645 X(o=-0.65,f=-0.52) USER MOD Single : A 100 GLN : amide:sc= 0.565 K(o=0.56,f=-0.37) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 118 GLN : amide:sc= 0.641 K(o=0.64,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.18) USER MOD Single : A 125 ASN : amide:sc= 0.532 K(o=0.53,f=-0.01) USER MOD Single : A 129 LYS NZ :NH3+ 168:sc= 1.3 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.016 2.264 1.504 1.00 0.00 N ATOM 2 CA MET A 1 4.052 2.010 0.024 1.00 0.00 C ATOM 3 C MET A 1 4.975 0.822 -0.316 1.00 0.00 C ATOM 4 O MET A 1 6.027 0.673 0.301 1.00 0.00 O ATOM 5 CB MET A 1 4.447 3.297 -0.754 1.00 0.00 C ATOM 6 CG MET A 1 4.487 3.133 -2.285 1.00 0.00 C ATOM 7 SD MET A 1 4.779 4.660 -3.225 1.00 0.00 S ATOM 8 CE MET A 1 3.111 5.377 -3.220 1.00 0.00 C ATOM 0 H1 MET A 1 3.969 3.288 1.679 1.00 0.00 H new ATOM 0 H2 MET A 1 3.179 1.804 1.915 1.00 0.00 H new ATOM 0 H3 MET A 1 4.875 1.876 1.944 1.00 0.00 H new ATOM 0 HA MET A 1 3.047 1.735 -0.297 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.740 4.088 -0.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.428 3.627 -0.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.269 2.417 -2.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.541 2.700 -2.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.120 6.324 -3.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.418 4.689 -3.705 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.792 5.549 -2.192 1.00 0.00 H new ATOM 18 N LYS A 2 4.611 -0.010 -1.313 1.00 0.00 N ATOM 19 CA LYS A 2 5.409 -1.173 -1.766 1.00 0.00 C ATOM 20 C LYS A 2 6.667 -0.725 -2.509 1.00 0.00 C ATOM 21 O LYS A 2 6.597 0.198 -3.324 1.00 0.00 O ATOM 22 CB LYS A 2 4.589 -2.126 -2.663 1.00 0.00 C ATOM 23 CG LYS A 2 3.220 -2.576 -2.114 1.00 0.00 C ATOM 24 CD LYS A 2 2.354 -3.237 -3.209 1.00 0.00 C ATOM 25 CE LYS A 2 1.751 -2.248 -4.237 1.00 0.00 C ATOM 26 NZ LYS A 2 0.485 -1.602 -3.774 1.00 0.00 N ATOM 0 H LYS A 2 3.742 0.107 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 2 5.700 -1.717 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.428 -1.637 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.189 -3.015 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.370 -3.279 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.692 -1.715 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.961 -3.969 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.542 -3.784 -2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.485 -1.473 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.558 -2.779 -5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.201 -0.869 -4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.265 -2.319 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.638 -1.168 -2.841 1.00 0.00 H new ATOM 40 N LYS A 3 7.785 -1.421 -2.301 1.00 0.00 N ATOM 41 CA LYS A 3 9.046 -1.193 -3.027 1.00 0.00 C ATOM 42 C LYS A 3 9.378 -2.353 -3.964 1.00 0.00 C ATOM 43 O LYS A 3 9.391 -3.511 -3.549 1.00 0.00 O ATOM 44 CB LYS A 3 10.157 -0.906 -2.009 1.00 0.00 C ATOM 45 CG LYS A 3 11.399 -0.242 -2.622 1.00 0.00 C ATOM 46 CD LYS A 3 12.429 0.164 -1.553 1.00 0.00 C ATOM 47 CE LYS A 3 11.853 1.166 -0.539 1.00 0.00 C ATOM 48 NZ LYS A 3 12.895 1.656 0.405 1.00 0.00 N ATOM 0 H LYS A 3 7.846 -2.172 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 3 8.944 -0.324 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.761 -0.261 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.453 -1.841 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.864 -0.928 -3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.096 0.640 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.772 -0.726 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.300 0.603 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.417 2.012 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.047 0.693 0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.462 2.303 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.317 0.848 0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.635 2.159 -0.125 1.00 0.00 H new ATOM 62 N VAL A 4 9.655 -2.020 -5.225 1.00 0.00 N ATOM 63 CA VAL A 4 9.985 -2.959 -6.305 1.00 0.00 C ATOM 64 C VAL A 4 11.501 -3.008 -6.517 1.00 0.00 C ATOM 65 O VAL A 4 12.076 -2.041 -7.015 1.00 0.00 O ATOM 66 CB VAL A 4 9.265 -2.583 -7.618 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.496 -3.651 -8.695 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.749 -2.435 -7.433 1.00 0.00 C ATOM 0 H VAL A 4 9.656 -1.049 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 4 9.637 -3.949 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 4 9.686 -1.625 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.979 -3.363 -9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.564 -3.741 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.110 -4.609 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.290 -2.170 -8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.332 -3.378 -7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.546 -1.652 -6.703 1.00 0.00 H new ATOM 78 N MET A 5 12.151 -4.122 -6.169 1.00 0.00 N ATOM 79 CA MET A 5 13.555 -4.361 -6.530 1.00 0.00 C ATOM 80 C MET A 5 13.646 -5.089 -7.874 1.00 0.00 C ATOM 81 O MET A 5 13.116 -6.191 -8.017 1.00 0.00 O ATOM 82 CB MET A 5 14.282 -5.166 -5.439 1.00 0.00 C ATOM 83 CG MET A 5 15.781 -5.330 -5.731 1.00 0.00 C ATOM 84 SD MET A 5 16.737 -3.792 -5.691 1.00 0.00 S ATOM 85 CE MET A 5 17.365 -3.871 -3.991 1.00 0.00 C ATOM 0 H MET A 5 11.725 -4.879 -5.634 1.00 0.00 H new ATOM 0 HA MET A 5 14.046 -3.392 -6.619 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.155 -4.667 -4.478 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.822 -6.150 -5.351 1.00 0.00 H new ATOM 0 HG2 MET A 5 16.204 -6.023 -5.004 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.897 -5.788 -6.713 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.717 -2.885 -3.687 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.567 -4.194 -3.323 1.00 0.00 H new ATOM 0 HE3 MET A 5 18.190 -4.582 -3.940 1.00 0.00 H new ATOM 95 N PHE A 6 14.370 -4.516 -8.832 1.00 0.00 N ATOM 96 CA PHE A 6 14.736 -5.180 -10.085 1.00 0.00 C ATOM 97 C PHE A 6 16.144 -5.780 -9.967 1.00 0.00 C ATOM 98 O PHE A 6 17.086 -5.045 -9.679 1.00 0.00 O ATOM 99 CB PHE A 6 14.618 -4.162 -11.229 1.00 0.00 C ATOM 100 CG PHE A 6 13.191 -3.705 -11.481 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.304 -4.565 -12.146 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.735 -2.452 -11.030 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.979 -4.172 -12.382 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.408 -2.051 -11.283 1.00 0.00 C ATOM 105 CZ PHE A 6 10.535 -2.900 -11.991 1.00 0.00 C ATOM 0 H PHE A 6 14.725 -3.563 -8.761 1.00 0.00 H new ATOM 0 HA PHE A 6 14.061 -6.009 -10.299 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.235 -3.294 -10.999 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.017 -4.604 -12.142 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.644 -5.535 -12.478 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.403 -1.797 -10.490 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.296 -4.853 -12.868 1.00 0.00 H new ATOM 0 HE2 PHE A 6 11.059 -1.090 -10.933 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.533 -2.575 -12.231 1.00 0.00 H new ATOM 115 N VAL A 7 16.315 -7.089 -10.194 1.00 0.00 N ATOM 116 CA VAL A 7 17.611 -7.792 -10.036 1.00 0.00 C ATOM 117 C VAL A 7 18.104 -8.418 -11.342 1.00 0.00 C ATOM 118 O VAL A 7 17.342 -9.060 -12.063 1.00 0.00 O ATOM 119 CB VAL A 7 17.620 -8.804 -8.862 1.00 0.00 C ATOM 120 CG1 VAL A 7 17.191 -8.130 -7.554 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.720 -10.027 -9.054 1.00 0.00 C ATOM 0 H VAL A 7 15.557 -7.701 -10.495 1.00 0.00 H new ATOM 0 HA VAL A 7 18.330 -7.018 -9.769 1.00 0.00 H new ATOM 0 HB VAL A 7 18.653 -9.151 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.206 -8.861 -6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.879 -7.318 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.183 -7.731 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.795 -10.675 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.687 -9.703 -9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.036 -10.576 -9.941 1.00 0.00 H new ATOM 131 N CYS A 8 19.389 -8.232 -11.650 1.00 0.00 N ATOM 132 CA CYS A 8 20.084 -8.845 -12.798 1.00 0.00 C ATOM 133 C CYS A 8 21.515 -9.281 -12.394 1.00 0.00 C ATOM 134 O CYS A 8 21.762 -9.535 -11.216 1.00 0.00 O ATOM 135 CB CYS A 8 20.033 -7.825 -13.951 1.00 0.00 C ATOM 136 SG CYS A 8 20.410 -8.648 -15.529 1.00 0.00 S ATOM 0 H CYS A 8 19.999 -7.633 -11.094 1.00 0.00 H new ATOM 0 HA CYS A 8 19.601 -9.763 -13.133 1.00 0.00 H new ATOM 0 HB2 CYS A 8 19.045 -7.366 -13.998 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.749 -7.023 -13.770 1.00 0.00 H new ATOM 0 HG CYS A 8 21.238 -7.916 -16.213 1.00 0.00 H new ATOM 142 N LYS A 9 22.490 -9.345 -13.313 1.00 0.00 N ATOM 143 CA LYS A 9 23.913 -9.568 -12.965 1.00 0.00 C ATOM 144 C LYS A 9 24.935 -8.893 -13.900 1.00 0.00 C ATOM 145 O LYS A 9 24.669 -8.645 -15.075 1.00 0.00 O ATOM 146 CB LYS A 9 24.175 -11.090 -12.840 1.00 0.00 C ATOM 147 CG LYS A 9 24.098 -11.855 -14.173 1.00 0.00 C ATOM 148 CD LYS A 9 24.312 -13.361 -13.966 1.00 0.00 C ATOM 149 CE LYS A 9 24.278 -14.091 -15.318 1.00 0.00 C ATOM 150 NZ LYS A 9 24.547 -15.550 -15.168 1.00 0.00 N ATOM 0 H LYS A 9 22.322 -9.245 -14.314 1.00 0.00 H new ATOM 0 HA LYS A 9 24.074 -9.073 -12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.162 -11.243 -12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 9 23.450 -11.516 -12.147 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.127 -11.684 -14.637 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.852 -11.470 -14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.269 -13.536 -13.474 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.538 -13.759 -13.310 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.303 -13.947 -15.784 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.019 -13.652 -15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.515 -16.007 -16.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.488 -15.688 -14.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.826 -15.974 -14.551 1.00 0.00 H new ATOM 164 N ARG A 10 26.129 -8.668 -13.336 1.00 0.00 N ATOM 165 CA ARG A 10 27.396 -8.250 -13.970 1.00 0.00 C ATOM 166 C ARG A 10 27.301 -7.102 -14.993 1.00 0.00 C ATOM 167 O ARG A 10 27.088 -5.957 -14.605 1.00 0.00 O ATOM 168 CB ARG A 10 28.156 -9.510 -14.458 1.00 0.00 C ATOM 169 CG ARG A 10 28.760 -10.332 -13.306 1.00 0.00 C ATOM 170 CD ARG A 10 30.017 -9.647 -12.745 1.00 0.00 C ATOM 171 NE ARG A 10 30.744 -10.520 -11.804 1.00 0.00 N ATOM 172 CZ ARG A 10 31.965 -10.351 -11.329 1.00 0.00 C ATOM 173 NH1 ARG A 10 32.733 -9.367 -11.703 1.00 0.00 N ATOM 174 NH2 ARG A 10 32.439 -11.180 -10.448 1.00 0.00 N ATOM 0 H ARG A 10 26.248 -8.784 -12.330 1.00 0.00 H new ATOM 0 HA ARG A 10 27.995 -7.760 -13.202 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.474 -10.141 -15.028 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.953 -9.207 -15.137 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.022 -10.452 -12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 10 29.013 -11.331 -13.660 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.677 -9.369 -13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.733 -8.724 -12.239 1.00 0.00 H new ATOM 0 HE ARG A 10 30.246 -11.350 -11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.397 -8.690 -12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.670 -9.274 -11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 10 31.868 -11.961 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.382 -11.050 -10.081 1.00 0.00 H new ATOM 188 N ASN A 11 27.507 -7.384 -16.282 1.00 0.00 N ATOM 189 CA ASN A 11 27.683 -6.371 -17.331 1.00 0.00 C ATOM 190 C ASN A 11 26.398 -5.802 -17.958 1.00 0.00 C ATOM 191 O ASN A 11 26.462 -4.719 -18.543 1.00 0.00 O ATOM 192 CB ASN A 11 28.657 -6.919 -18.396 1.00 0.00 C ATOM 193 CG ASN A 11 28.132 -8.074 -19.244 1.00 0.00 C ATOM 194 OD1 ASN A 11 27.108 -8.685 -18.974 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.839 -8.430 -20.293 1.00 0.00 N ATOM 0 H ASN A 11 27.557 -8.340 -16.634 1.00 0.00 H new ATOM 0 HA ASN A 11 28.103 -5.496 -16.834 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.935 -6.102 -19.061 1.00 0.00 H new ATOM 0 HB3 ASN A 11 29.568 -7.246 -17.894 1.00 0.00 H new ATOM 0 HD21 ASN A 11 28.532 -9.210 -20.874 1.00 0.00 H new ATOM 0 HD22 ASN A 11 29.695 -7.926 -20.526 1.00 0.00 H new ATOM 202 N SER A 12 25.244 -6.475 -17.849 1.00 0.00 N ATOM 203 CA SER A 12 24.003 -5.992 -18.486 1.00 0.00 C ATOM 204 C SER A 12 23.285 -4.928 -17.644 1.00 0.00 C ATOM 205 O SER A 12 23.341 -4.934 -16.415 1.00 0.00 O ATOM 206 CB SER A 12 23.094 -7.149 -18.922 1.00 0.00 C ATOM 207 OG SER A 12 22.281 -7.628 -17.860 1.00 0.00 O ATOM 0 H SER A 12 25.140 -7.348 -17.332 1.00 0.00 H new ATOM 0 HA SER A 12 24.292 -5.480 -19.404 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.457 -6.818 -19.743 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.707 -7.965 -19.303 1.00 0.00 H new ATOM 0 HG SER A 12 22.807 -8.227 -17.290 1.00 0.00 H new ATOM 213 N CYS A 13 22.574 -4.007 -18.308 1.00 0.00 N ATOM 214 CA CYS A 13 21.869 -2.880 -17.670 1.00 0.00 C ATOM 215 C CYS A 13 20.385 -3.141 -17.372 1.00 0.00 C ATOM 216 O CYS A 13 19.685 -2.234 -16.939 1.00 0.00 O ATOM 217 CB CYS A 13 22.086 -1.628 -18.542 1.00 0.00 C ATOM 218 SG CYS A 13 21.414 -1.887 -20.215 1.00 0.00 S ATOM 0 H CYS A 13 22.469 -4.022 -19.322 1.00 0.00 H new ATOM 0 HA CYS A 13 22.297 -2.730 -16.679 1.00 0.00 H new ATOM 0 HB2 CYS A 13 21.602 -0.768 -18.079 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.150 -1.401 -18.603 1.00 0.00 H new ATOM 0 HG CYS A 13 21.606 -0.819 -20.930 1.00 0.00 H new ATOM 224 N ARG A 14 19.882 -4.362 -17.581 1.00 0.00 N ATOM 225 CA ARG A 14 18.451 -4.730 -17.559 1.00 0.00 C ATOM 226 C ARG A 14 17.745 -4.380 -16.251 1.00 0.00 C ATOM 227 O ARG A 14 16.637 -3.876 -16.306 1.00 0.00 O ATOM 228 CB ARG A 14 18.307 -6.228 -17.917 1.00 0.00 C ATOM 229 CG ARG A 14 18.661 -6.524 -19.387 1.00 0.00 C ATOM 230 CD ARG A 14 18.641 -8.031 -19.678 1.00 0.00 C ATOM 231 NE ARG A 14 19.816 -8.721 -19.099 1.00 0.00 N ATOM 232 CZ ARG A 14 20.067 -10.021 -19.137 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.238 -10.873 -19.665 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.187 -10.472 -18.649 1.00 0.00 N ATOM 0 H ARG A 14 20.484 -5.161 -17.780 1.00 0.00 H new ATOM 0 HA ARG A 14 17.942 -4.126 -18.311 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.953 -6.817 -17.266 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.283 -6.547 -17.723 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.953 -6.016 -20.042 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.649 -6.122 -19.613 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.728 -8.467 -19.273 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.620 -8.192 -20.756 1.00 0.00 H new ATOM 0 HE ARG A 14 20.502 -8.136 -18.622 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.360 -10.547 -20.068 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.466 -11.867 -19.676 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.863 -9.826 -18.242 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.388 -11.472 -18.674 1.00 0.00 H new ATOM 248 N SER A 15 18.372 -4.549 -15.086 1.00 0.00 N ATOM 249 CA SER A 15 17.770 -4.140 -13.799 1.00 0.00 C ATOM 250 C SER A 15 17.702 -2.623 -13.653 1.00 0.00 C ATOM 251 O SER A 15 16.664 -2.090 -13.274 1.00 0.00 O ATOM 252 CB SER A 15 18.526 -4.778 -12.632 1.00 0.00 C ATOM 253 OG SER A 15 19.920 -4.609 -12.816 1.00 0.00 O ATOM 0 H SER A 15 19.299 -4.966 -14.999 1.00 0.00 H new ATOM 0 HA SER A 15 16.742 -4.501 -13.785 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.216 -4.321 -11.692 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.284 -5.839 -12.566 1.00 0.00 H new ATOM 0 HG SER A 15 20.403 -5.274 -12.283 1.00 0.00 H new ATOM 259 N GLN A 16 18.771 -1.912 -14.016 1.00 0.00 N ATOM 260 CA GLN A 16 18.834 -0.440 -13.937 1.00 0.00 C ATOM 261 C GLN A 16 17.907 0.224 -14.971 1.00 0.00 C ATOM 262 O GLN A 16 17.259 1.227 -14.679 1.00 0.00 O ATOM 263 CB GLN A 16 20.305 0.016 -14.056 1.00 0.00 C ATOM 264 CG GLN A 16 21.258 -0.662 -13.038 1.00 0.00 C ATOM 265 CD GLN A 16 21.949 0.319 -12.093 1.00 0.00 C ATOM 266 OE1 GLN A 16 23.082 0.737 -12.287 1.00 0.00 O ATOM 267 NE2 GLN A 16 21.291 0.705 -11.025 1.00 0.00 N ATOM 0 H GLN A 16 19.625 -2.338 -14.376 1.00 0.00 H new ATOM 0 HA GLN A 16 18.462 -0.112 -12.966 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.659 -0.193 -15.065 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.352 1.096 -13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.691 -1.382 -12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.017 -1.223 -13.583 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.346 0.361 -10.856 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.725 1.349 -10.364 1.00 0.00 H new ATOM 276 N MET A 17 17.757 -0.393 -16.146 1.00 0.00 N ATOM 277 CA MET A 17 16.826 0.032 -17.196 1.00 0.00 C ATOM 278 C MET A 17 15.372 -0.317 -16.853 1.00 0.00 C ATOM 279 O MET A 17 14.491 0.514 -17.062 1.00 0.00 O ATOM 280 CB MET A 17 17.278 -0.550 -18.551 1.00 0.00 C ATOM 281 CG MET A 17 16.678 0.199 -19.744 1.00 0.00 C ATOM 282 SD MET A 17 17.251 1.916 -19.893 1.00 0.00 S ATOM 283 CE MET A 17 15.834 2.844 -19.232 1.00 0.00 C ATOM 0 H MET A 17 18.293 -1.223 -16.400 1.00 0.00 H new ATOM 0 HA MET A 17 16.850 1.119 -17.270 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.366 -0.513 -18.613 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.991 -1.600 -18.605 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.925 -0.338 -20.660 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.592 0.194 -19.655 1.00 0.00 H new ATOM 0 HE1 MET A 17 16.108 3.892 -19.115 1.00 0.00 H new ATOM 0 HE2 MET A 17 14.993 2.763 -19.921 1.00 0.00 H new ATOM 0 HE3 MET A 17 15.550 2.433 -18.263 1.00 0.00 H new ATOM 293 N ALA A 18 15.123 -1.483 -16.244 1.00 0.00 N ATOM 294 CA ALA A 18 13.805 -1.819 -15.674 1.00 0.00 C ATOM 295 C ALA A 18 13.375 -0.797 -14.607 1.00 0.00 C ATOM 296 O ALA A 18 12.278 -0.252 -14.693 1.00 0.00 O ATOM 297 CB ALA A 18 13.832 -3.249 -15.126 1.00 0.00 C ATOM 0 H ALA A 18 15.821 -2.218 -16.131 1.00 0.00 H new ATOM 0 HA ALA A 18 13.055 -1.770 -16.463 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.857 -3.496 -14.705 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.065 -3.944 -15.933 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.593 -3.327 -14.349 1.00 0.00 H new ATOM 303 N GLU A 19 14.267 -0.425 -13.680 1.00 0.00 N ATOM 304 CA GLU A 19 14.015 0.681 -12.741 1.00 0.00 C ATOM 305 C GLU A 19 13.750 2.006 -13.476 1.00 0.00 C ATOM 306 O GLU A 19 12.837 2.723 -13.091 1.00 0.00 O ATOM 307 CB GLU A 19 15.183 0.829 -11.753 1.00 0.00 C ATOM 308 CG GLU A 19 14.985 1.989 -10.757 1.00 0.00 C ATOM 309 CD GLU A 19 16.212 2.251 -9.864 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.308 1.719 -10.156 1.00 0.00 O ATOM 311 OE2 GLU A 19 16.089 3.016 -8.880 1.00 0.00 O ATOM 0 H GLU A 19 15.174 -0.875 -13.558 1.00 0.00 H new ATOM 0 HA GLU A 19 13.114 0.436 -12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.303 -0.102 -11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.106 0.990 -12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.749 2.897 -11.312 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.125 1.770 -10.124 1.00 0.00 H new ATOM 318 N GLY A 20 14.485 2.321 -14.551 1.00 0.00 N ATOM 319 CA GLY A 20 14.297 3.551 -15.342 1.00 0.00 C ATOM 320 C GLY A 20 12.897 3.692 -15.939 1.00 0.00 C ATOM 321 O GLY A 20 12.238 4.716 -15.746 1.00 0.00 O ATOM 0 H GLY A 20 15.235 1.725 -14.902 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.500 4.414 -14.708 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.030 3.569 -16.149 1.00 0.00 H new ATOM 325 N PHE A 21 12.376 2.649 -16.595 1.00 0.00 N ATOM 326 CA PHE A 21 10.975 2.651 -17.054 1.00 0.00 C ATOM 327 C PHE A 21 9.998 2.649 -15.869 1.00 0.00 C ATOM 328 O PHE A 21 9.013 3.384 -15.878 1.00 0.00 O ATOM 329 CB PHE A 21 10.725 1.479 -18.024 1.00 0.00 C ATOM 330 CG PHE A 21 11.181 1.736 -19.442 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.310 2.393 -20.330 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.447 1.314 -19.888 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.713 2.664 -21.644 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.853 1.587 -21.205 1.00 0.00 C ATOM 335 CZ PHE A 21 11.996 2.289 -22.071 1.00 0.00 C ATOM 0 H PHE A 21 12.894 1.799 -16.820 1.00 0.00 H new ATOM 0 HA PHE A 21 10.791 3.574 -17.603 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.236 0.594 -17.645 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.659 1.252 -18.033 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.326 2.690 -19.997 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.106 0.781 -19.219 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.038 3.160 -22.326 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.822 1.258 -21.552 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.326 2.540 -23.068 1.00 0.00 H new ATOM 345 N ALA A 22 10.287 1.891 -14.807 1.00 0.00 N ATOM 346 CA ALA A 22 9.406 1.784 -13.641 1.00 0.00 C ATOM 347 C ALA A 22 9.286 3.089 -12.834 1.00 0.00 C ATOM 348 O ALA A 22 8.181 3.426 -12.425 1.00 0.00 O ATOM 349 CB ALA A 22 9.889 0.613 -12.785 1.00 0.00 C ATOM 0 H ALA A 22 11.138 1.334 -14.732 1.00 0.00 H new ATOM 0 HA ALA A 22 8.391 1.596 -13.990 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.247 0.513 -11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.850 -0.306 -13.370 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.915 0.795 -12.464 1.00 0.00 H new ATOM 355 N LYS A 23 10.360 3.876 -12.660 1.00 0.00 N ATOM 356 CA LYS A 23 10.293 5.192 -11.983 1.00 0.00 C ATOM 357 C LYS A 23 9.523 6.237 -12.799 1.00 0.00 C ATOM 358 O LYS A 23 8.897 7.122 -12.223 1.00 0.00 O ATOM 359 CB LYS A 23 11.694 5.704 -11.569 1.00 0.00 C ATOM 360 CG LYS A 23 12.597 6.166 -12.720 1.00 0.00 C ATOM 361 CD LYS A 23 13.930 6.732 -12.212 1.00 0.00 C ATOM 362 CE LYS A 23 14.604 7.539 -13.331 1.00 0.00 C ATOM 363 NZ LYS A 23 16.008 7.894 -12.985 1.00 0.00 N ATOM 0 H LYS A 23 11.295 3.625 -12.980 1.00 0.00 H new ATOM 0 HA LYS A 23 9.724 5.035 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.567 6.534 -10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.206 4.910 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.790 5.327 -13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.079 6.927 -13.304 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.760 7.367 -11.343 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.583 5.920 -11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.592 6.961 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.034 8.449 -13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.375 8.576 -13.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.035 8.318 -12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.596 7.036 -12.998 1.00 0.00 H new ATOM 377 N THR A 24 9.534 6.112 -14.130 1.00 0.00 N ATOM 378 CA THR A 24 8.826 7.030 -15.045 1.00 0.00 C ATOM 379 C THR A 24 7.323 6.725 -15.107 1.00 0.00 C ATOM 380 O THR A 24 6.501 7.637 -15.036 1.00 0.00 O ATOM 381 CB THR A 24 9.434 6.989 -16.460 1.00 0.00 C ATOM 382 OG1 THR A 24 10.838 7.146 -16.418 1.00 0.00 O ATOM 383 CG2 THR A 24 8.916 8.128 -17.339 1.00 0.00 C ATOM 0 H THR A 24 10.037 5.367 -14.612 1.00 0.00 H new ATOM 0 HA THR A 24 8.951 8.035 -14.642 1.00 0.00 H new ATOM 0 HB THR A 24 9.149 6.020 -16.870 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.257 6.287 -16.200 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.371 8.060 -18.327 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.833 8.052 -17.432 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.175 9.085 -16.885 1.00 0.00 H new ATOM 391 N LEU A 25 6.955 5.439 -15.211 1.00 0.00 N ATOM 392 CA LEU A 25 5.569 4.995 -15.457 1.00 0.00 C ATOM 393 C LEU A 25 4.821 4.603 -14.172 1.00 0.00 C ATOM 394 O LEU A 25 3.616 4.822 -14.052 1.00 0.00 O ATOM 395 CB LEU A 25 5.588 3.838 -16.474 1.00 0.00 C ATOM 396 CG LEU A 25 6.303 4.178 -17.794 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.350 2.941 -18.680 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.621 5.298 -18.577 1.00 0.00 C ATOM 0 H LEU A 25 7.617 4.667 -15.126 1.00 0.00 H new ATOM 0 HA LEU A 25 5.013 5.838 -15.866 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.076 2.976 -16.019 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.562 3.544 -16.694 1.00 0.00 H new ATOM 0 HG LEU A 25 7.303 4.519 -17.525 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.856 3.182 -19.615 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.893 2.147 -18.168 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.334 2.607 -18.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.175 5.489 -19.496 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.601 5.002 -18.822 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.600 6.204 -17.972 1.00 0.00 H new ATOM 410 N GLY A 26 5.556 4.080 -13.189 1.00 0.00 N ATOM 411 CA GLY A 26 5.104 3.837 -11.816 1.00 0.00 C ATOM 412 C GLY A 26 5.207 5.064 -10.912 1.00 0.00 C ATOM 413 O GLY A 26 4.974 4.935 -9.708 1.00 0.00 O ATOM 0 H GLY A 26 6.526 3.801 -13.334 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.068 3.498 -11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.695 3.028 -11.386 1.00 0.00 H new ATOM 417 N ALA A 27 5.544 6.238 -11.463 1.00 0.00 N ATOM 418 CA ALA A 27 5.535 7.502 -10.719 1.00 0.00 C ATOM 419 C ALA A 27 4.229 7.690 -9.910 1.00 0.00 C ATOM 420 O ALA A 27 3.133 7.728 -10.474 1.00 0.00 O ATOM 421 CB ALA A 27 5.755 8.660 -11.701 1.00 0.00 C ATOM 0 H ALA A 27 5.830 6.337 -12.437 1.00 0.00 H new ATOM 0 HA ALA A 27 6.345 7.485 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.750 9.604 -11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.715 8.535 -12.202 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.957 8.664 -12.443 1.00 0.00 H new ATOM 427 N GLY A 28 4.352 7.789 -8.579 1.00 0.00 N ATOM 428 CA GLY A 28 3.222 7.951 -7.653 1.00 0.00 C ATOM 429 C GLY A 28 2.416 6.682 -7.327 1.00 0.00 C ATOM 430 O GLY A 28 1.341 6.805 -6.736 1.00 0.00 O ATOM 0 H GLY A 28 5.256 7.758 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.603 8.363 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.540 8.690 -8.073 1.00 0.00 H new ATOM 434 N LYS A 29 2.894 5.476 -7.689 1.00 0.00 N ATOM 435 CA LYS A 29 2.187 4.197 -7.454 1.00 0.00 C ATOM 436 C LYS A 29 2.958 3.271 -6.523 1.00 0.00 C ATOM 437 O LYS A 29 2.366 2.591 -5.690 1.00 0.00 O ATOM 438 CB LYS A 29 1.952 3.494 -8.801 1.00 0.00 C ATOM 439 CG LYS A 29 0.852 4.177 -9.625 1.00 0.00 C ATOM 440 CD LYS A 29 0.621 3.407 -10.932 1.00 0.00 C ATOM 441 CE LYS A 29 -0.660 3.815 -11.677 1.00 0.00 C ATOM 442 NZ LYS A 29 -1.895 3.400 -10.946 1.00 0.00 N ATOM 0 H LYS A 29 3.792 5.358 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 29 1.238 4.427 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.880 3.487 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.678 2.454 -8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.073 4.218 -9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.137 5.206 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.477 3.561 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.577 2.341 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.668 4.896 -11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.659 3.366 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.705 3.412 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.769 2.439 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.072 4.060 -10.162 1.00 0.00 H new ATOM 456 N ILE A 30 4.276 3.227 -6.711 1.00 0.00 N ATOM 457 CA ILE A 30 5.215 2.368 -5.989 1.00 0.00 C ATOM 458 C ILE A 30 6.603 3.011 -5.883 1.00 0.00 C ATOM 459 O ILE A 30 6.943 3.928 -6.631 1.00 0.00 O ATOM 460 CB ILE A 30 5.311 0.959 -6.638 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.118 0.848 -8.166 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.316 -0.002 -5.968 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.243 1.505 -8.966 1.00 0.00 C ATOM 0 H ILE A 30 4.740 3.816 -7.402 1.00 0.00 H new ATOM 0 HA ILE A 30 4.825 2.248 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 30 6.355 0.697 -6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.052 -0.205 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.169 1.309 -8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.392 -0.986 -6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.547 -0.082 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.302 0.379 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.046 1.391 -10.032 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.295 2.565 -8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.191 1.028 -8.719 1.00 0.00 H new ATOM 475 N ALA A 31 7.412 2.494 -4.957 1.00 0.00 N ATOM 476 CA ALA A 31 8.835 2.822 -4.859 1.00 0.00 C ATOM 477 C ALA A 31 9.628 1.817 -5.709 1.00 0.00 C ATOM 478 O ALA A 31 9.201 0.672 -5.860 1.00 0.00 O ATOM 479 CB ALA A 31 9.257 2.839 -3.383 1.00 0.00 C ATOM 0 H ALA A 31 7.096 1.831 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 31 9.043 3.818 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.317 3.083 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.674 3.588 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.080 1.858 -2.943 1.00 0.00 H new ATOM 485 N VAL A 32 10.774 2.204 -6.267 1.00 0.00 N ATOM 486 CA VAL A 32 11.584 1.337 -7.144 1.00 0.00 C ATOM 487 C VAL A 32 13.082 1.435 -6.848 1.00 0.00 C ATOM 488 O VAL A 32 13.577 2.494 -6.458 1.00 0.00 O ATOM 489 CB VAL A 32 11.326 1.597 -8.639 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.853 1.419 -9.011 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.719 2.995 -9.114 1.00 0.00 C ATOM 0 H VAL A 32 11.175 3.131 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 32 11.259 0.322 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 32 11.958 0.857 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.721 1.613 -10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.542 0.399 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.246 2.118 -8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.503 3.092 -10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.150 3.741 -8.559 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.784 3.151 -8.944 1.00 0.00 H new ATOM 501 N THR A 33 13.793 0.327 -7.060 1.00 0.00 N ATOM 502 CA THR A 33 15.250 0.203 -6.886 1.00 0.00 C ATOM 503 C THR A 33 15.784 -0.859 -7.848 1.00 0.00 C ATOM 504 O THR A 33 15.046 -1.770 -8.232 1.00 0.00 O ATOM 505 CB THR A 33 15.591 -0.189 -5.437 1.00 0.00 C ATOM 506 OG1 THR A 33 14.908 0.637 -4.513 1.00 0.00 O ATOM 507 CG2 THR A 33 17.074 -0.080 -5.087 1.00 0.00 C ATOM 0 H THR A 33 13.359 -0.543 -7.369 1.00 0.00 H new ATOM 0 HA THR A 33 15.716 1.165 -7.102 1.00 0.00 H new ATOM 0 HB THR A 33 15.285 -1.233 -5.369 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.359 0.598 -3.644 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.225 -0.374 -4.048 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.651 -0.737 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.406 0.949 -5.224 1.00 0.00 H new ATOM 515 N SER A 34 17.057 -0.786 -8.240 1.00 0.00 N ATOM 516 CA SER A 34 17.726 -1.863 -8.982 1.00 0.00 C ATOM 517 C SER A 34 19.043 -2.316 -8.357 1.00 0.00 C ATOM 518 O SER A 34 19.694 -1.590 -7.604 1.00 0.00 O ATOM 519 CB SER A 34 17.929 -1.499 -10.446 1.00 0.00 C ATOM 520 OG SER A 34 18.723 -0.344 -10.563 1.00 0.00 O ATOM 0 H SER A 34 17.655 0.019 -8.054 1.00 0.00 H new ATOM 0 HA SER A 34 17.046 -2.713 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.404 -2.328 -10.970 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.963 -1.333 -10.922 1.00 0.00 H new ATOM 0 HG SER A 34 18.297 0.396 -10.082 1.00 0.00 H new ATOM 526 N CYS A 35 19.402 -3.567 -8.655 1.00 0.00 N ATOM 527 CA CYS A 35 20.497 -4.302 -8.042 1.00 0.00 C ATOM 528 C CYS A 35 20.994 -5.408 -8.992 1.00 0.00 C ATOM 529 O CYS A 35 20.329 -5.743 -9.978 1.00 0.00 O ATOM 530 CB CYS A 35 19.915 -4.835 -6.717 1.00 0.00 C ATOM 531 SG CYS A 35 21.016 -5.994 -5.876 1.00 0.00 S ATOM 0 H CYS A 35 18.912 -4.114 -9.362 1.00 0.00 H new ATOM 0 HA CYS A 35 21.379 -3.692 -7.846 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.707 -3.995 -6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.963 -5.327 -6.917 1.00 0.00 H new ATOM 0 HG CYS A 35 22.230 -5.529 -5.892 1.00 0.00 H new ATOM 537 N GLY A 36 22.152 -6.002 -8.705 1.00 0.00 N ATOM 538 CA GLY A 36 22.614 -7.213 -9.385 1.00 0.00 C ATOM 539 C GLY A 36 23.321 -8.176 -8.437 1.00 0.00 C ATOM 540 O GLY A 36 23.795 -7.766 -7.381 1.00 0.00 O ATOM 0 H GLY A 36 22.797 -5.657 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.763 -7.717 -9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.293 -6.937 -10.192 1.00 0.00 H new ATOM 544 N LEU A 37 23.418 -9.461 -8.794 1.00 0.00 N ATOM 545 CA LEU A 37 23.973 -10.493 -7.892 1.00 0.00 C ATOM 546 C LEU A 37 25.442 -10.212 -7.534 1.00 0.00 C ATOM 547 O LEU A 37 25.857 -10.350 -6.387 1.00 0.00 O ATOM 548 CB LEU A 37 23.839 -11.890 -8.532 1.00 0.00 C ATOM 549 CG LEU A 37 22.417 -12.332 -8.929 1.00 0.00 C ATOM 550 CD1 LEU A 37 22.472 -13.792 -9.374 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.407 -12.180 -7.793 1.00 0.00 C ATOM 0 H LEU A 37 23.120 -9.818 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 37 23.397 -10.464 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.466 -11.918 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 37 24.242 -12.625 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 37 22.078 -11.684 -9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.474 -14.123 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.144 -13.887 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.838 -14.409 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.425 -12.507 -8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.719 -12.790 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.356 -11.135 -7.489 1.00 0.00 H new ATOM 563 N GLU A 38 26.192 -9.724 -8.525 1.00 0.00 N ATOM 564 CA GLU A 38 27.558 -9.192 -8.413 1.00 0.00 C ATOM 565 C GLU A 38 27.566 -7.735 -8.920 1.00 0.00 C ATOM 566 O GLU A 38 28.430 -7.330 -9.701 1.00 0.00 O ATOM 567 CB GLU A 38 28.541 -10.103 -9.175 1.00 0.00 C ATOM 568 CG GLU A 38 28.456 -11.579 -8.768 1.00 0.00 C ATOM 569 CD GLU A 38 29.548 -12.394 -9.478 1.00 0.00 C ATOM 570 OE1 GLU A 38 29.388 -12.721 -10.677 1.00 0.00 O ATOM 571 OE2 GLU A 38 30.632 -12.634 -8.895 1.00 0.00 O ATOM 0 H GLU A 38 25.845 -9.686 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 38 27.889 -9.182 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.346 -10.018 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.557 -9.747 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 38 28.568 -11.672 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.473 -11.977 -9.022 1.00 0.00 H new ATOM 578 N SER A 39 26.552 -6.964 -8.495 1.00 0.00 N ATOM 579 CA SER A 39 26.208 -5.624 -9.001 1.00 0.00 C ATOM 580 C SER A 39 25.716 -5.629 -10.465 1.00 0.00 C ATOM 581 O SER A 39 25.620 -6.678 -11.110 1.00 0.00 O ATOM 582 CB SER A 39 27.370 -4.650 -8.751 1.00 0.00 C ATOM 583 OG SER A 39 26.888 -3.320 -8.767 1.00 0.00 O ATOM 0 H SER A 39 25.920 -7.271 -7.755 1.00 0.00 H new ATOM 0 HA SER A 39 25.348 -5.266 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 39 27.838 -4.866 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.136 -4.779 -9.515 1.00 0.00 H new ATOM 0 HG SER A 39 27.630 -2.701 -8.606 1.00 0.00 H new ATOM 589 N SER A 40 25.328 -4.457 -10.967 1.00 0.00 N ATOM 590 CA SER A 40 24.935 -4.175 -12.361 1.00 0.00 C ATOM 591 C SER A 40 25.359 -2.743 -12.762 1.00 0.00 C ATOM 592 O SER A 40 26.053 -2.067 -11.997 1.00 0.00 O ATOM 593 CB SER A 40 23.430 -4.415 -12.552 1.00 0.00 C ATOM 594 OG SER A 40 22.670 -3.498 -11.781 1.00 0.00 O ATOM 0 H SER A 40 25.274 -3.624 -10.381 1.00 0.00 H new ATOM 0 HA SER A 40 25.457 -4.862 -13.027 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.172 -4.312 -13.606 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.180 -5.435 -12.261 1.00 0.00 H new ATOM 0 HG SER A 40 21.715 -3.649 -11.940 1.00 0.00 H new ATOM 600 N ARG A 41 25.002 -2.261 -13.965 1.00 0.00 N ATOM 601 CA ARG A 41 25.435 -0.934 -14.466 1.00 0.00 C ATOM 602 C ARG A 41 24.420 -0.207 -15.333 1.00 0.00 C ATOM 603 O ARG A 41 23.424 -0.766 -15.772 1.00 0.00 O ATOM 604 CB ARG A 41 26.785 -1.095 -15.211 1.00 0.00 C ATOM 605 CG ARG A 41 26.662 -1.797 -16.585 1.00 0.00 C ATOM 606 CD ARG A 41 27.874 -1.565 -17.497 1.00 0.00 C ATOM 607 NE ARG A 41 28.069 -0.128 -17.796 1.00 0.00 N ATOM 608 CZ ARG A 41 29.150 0.463 -18.275 1.00 0.00 C ATOM 609 NH1 ARG A 41 30.214 -0.203 -18.623 1.00 0.00 N ATOM 610 NH2 ARG A 41 29.160 1.758 -18.399 1.00 0.00 N ATOM 0 H ARG A 41 24.409 -2.773 -14.618 1.00 0.00 H new ATOM 0 HA ARG A 41 25.544 -0.295 -13.590 1.00 0.00 H new ATOM 0 HB2 ARG A 41 27.229 -0.110 -15.355 1.00 0.00 H new ATOM 0 HB3 ARG A 41 27.470 -1.664 -14.583 1.00 0.00 H new ATOM 0 HG2 ARG A 41 26.534 -2.868 -16.428 1.00 0.00 H new ATOM 0 HG3 ARG A 41 25.764 -1.440 -17.088 1.00 0.00 H new ATOM 0 HD2 ARG A 41 28.770 -1.962 -17.019 1.00 0.00 H new ATOM 0 HD3 ARG A 41 27.739 -2.115 -18.428 1.00 0.00 H new ATOM 0 HE ARG A 41 27.272 0.480 -17.610 1.00 0.00 H new ATOM 0 HH11 ARG A 41 30.233 -1.219 -18.530 1.00 0.00 H new ATOM 0 HH12 ARG A 41 31.028 0.291 -18.989 1.00 0.00 H new ATOM 0 HH21 ARG A 41 28.341 2.303 -18.128 1.00 0.00 H new ATOM 0 HH22 ARG A 41 29.987 2.229 -18.767 1.00 0.00 H new ATOM 624 N VAL A 42 24.760 1.038 -15.644 1.00 0.00 N ATOM 625 CA VAL A 42 24.100 1.882 -16.646 1.00 0.00 C ATOM 626 C VAL A 42 25.048 2.036 -17.842 1.00 0.00 C ATOM 627 O VAL A 42 26.265 2.081 -17.668 1.00 0.00 O ATOM 628 CB VAL A 42 23.651 3.230 -16.052 1.00 0.00 C ATOM 629 CG1 VAL A 42 22.450 3.024 -15.126 1.00 0.00 C ATOM 630 CG2 VAL A 42 24.742 3.998 -15.300 1.00 0.00 C ATOM 0 H VAL A 42 25.538 1.513 -15.187 1.00 0.00 H new ATOM 0 HA VAL A 42 23.180 1.408 -16.988 1.00 0.00 H new ATOM 0 HB VAL A 42 23.386 3.845 -16.912 1.00 0.00 H new ATOM 0 HG11 VAL A 42 22.141 3.984 -14.712 1.00 0.00 H new ATOM 0 HG12 VAL A 42 21.625 2.590 -15.691 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.727 2.351 -14.315 1.00 0.00 H new ATOM 0 HG21 VAL A 42 24.332 4.933 -14.918 1.00 0.00 H new ATOM 0 HG22 VAL A 42 25.104 3.394 -14.468 1.00 0.00 H new ATOM 0 HG23 VAL A 42 25.568 4.214 -15.978 1.00 0.00 H new ATOM 640 N HIS A 43 24.516 2.035 -19.063 1.00 0.00 N ATOM 641 CA HIS A 43 25.299 1.988 -20.310 1.00 0.00 C ATOM 642 C HIS A 43 24.956 3.188 -21.210 1.00 0.00 C ATOM 643 O HIS A 43 23.767 3.377 -21.467 1.00 0.00 O ATOM 644 CB HIS A 43 25.005 0.639 -20.987 1.00 0.00 C ATOM 645 CG HIS A 43 25.708 0.476 -22.307 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.092 0.483 -22.487 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.095 0.408 -23.524 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.287 0.412 -23.814 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.110 0.371 -24.459 1.00 0.00 N ATOM 0 H HIS A 43 23.509 2.067 -19.223 1.00 0.00 H new ATOM 0 HA HIS A 43 26.368 2.062 -20.108 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.306 -0.169 -20.320 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.930 0.543 -21.140 1.00 0.00 H new ATOM 0 HD1 HIS A 43 27.807 0.532 -21.761 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.033 0.387 -23.717 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.254 0.391 -24.294 1.00 0.00 H new ATOM 657 N PRO A 44 25.919 3.980 -21.733 1.00 0.00 N ATOM 658 CA PRO A 44 25.630 5.231 -22.461 1.00 0.00 C ATOM 659 C PRO A 44 24.644 5.099 -23.631 1.00 0.00 C ATOM 660 O PRO A 44 23.761 5.943 -23.785 1.00 0.00 O ATOM 661 CB PRO A 44 26.992 5.743 -22.935 1.00 0.00 C ATOM 662 CG PRO A 44 27.927 5.263 -21.832 1.00 0.00 C ATOM 663 CD PRO A 44 27.359 3.887 -21.491 1.00 0.00 C ATOM 0 HA PRO A 44 25.117 5.923 -21.793 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.265 5.331 -23.906 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.005 6.828 -23.034 1.00 0.00 H new ATOM 0 HG2 PRO A 44 28.960 5.202 -22.174 1.00 0.00 H new ATOM 0 HG3 PRO A 44 27.915 5.931 -20.971 1.00 0.00 H new ATOM 0 HD2 PRO A 44 27.811 3.113 -22.111 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.565 3.625 -20.453 1.00 0.00 H new ATOM 671 N THR A 45 24.716 4.003 -24.398 1.00 0.00 N ATOM 672 CA THR A 45 23.752 3.729 -25.482 1.00 0.00 C ATOM 673 C THR A 45 22.338 3.536 -24.939 1.00 0.00 C ATOM 674 O THR A 45 21.390 4.016 -25.546 1.00 0.00 O ATOM 675 CB THR A 45 24.158 2.489 -26.300 1.00 0.00 C ATOM 676 OG1 THR A 45 25.538 2.514 -26.606 1.00 0.00 O ATOM 677 CG2 THR A 45 23.385 2.323 -27.605 1.00 0.00 C ATOM 0 H THR A 45 25.434 3.286 -24.290 1.00 0.00 H new ATOM 0 HA THR A 45 23.763 4.601 -26.135 1.00 0.00 H new ATOM 0 HB THR A 45 23.914 1.642 -25.659 1.00 0.00 H new ATOM 0 HG1 THR A 45 26.012 1.879 -26.029 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.730 1.427 -28.121 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.321 2.230 -27.388 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.551 3.194 -28.239 1.00 0.00 H new ATOM 685 N ALA A 46 22.169 2.913 -23.765 1.00 0.00 N ATOM 686 CA ALA A 46 20.853 2.777 -23.137 1.00 0.00 C ATOM 687 C ALA A 46 20.302 4.141 -22.705 1.00 0.00 C ATOM 688 O ALA A 46 19.151 4.443 -23.000 1.00 0.00 O ATOM 689 CB ALA A 46 20.931 1.783 -21.968 1.00 0.00 C ATOM 0 H ALA A 46 22.931 2.495 -23.232 1.00 0.00 H new ATOM 0 HA ALA A 46 20.150 2.377 -23.868 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.949 1.687 -21.506 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.254 0.810 -22.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.646 2.146 -21.229 1.00 0.00 H new ATOM 695 N ILE A 47 21.136 5.004 -22.105 1.00 0.00 N ATOM 696 CA ILE A 47 20.725 6.373 -21.728 1.00 0.00 C ATOM 697 C ILE A 47 20.141 7.087 -22.964 1.00 0.00 C ATOM 698 O ILE A 47 18.998 7.541 -22.941 1.00 0.00 O ATOM 699 CB ILE A 47 21.885 7.197 -21.110 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.687 6.387 -20.063 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.307 8.480 -20.483 1.00 0.00 C ATOM 702 CD1 ILE A 47 23.822 7.157 -19.376 1.00 0.00 C ATOM 0 H ILE A 47 22.103 4.781 -21.868 1.00 0.00 H new ATOM 0 HA ILE A 47 19.963 6.293 -20.953 1.00 0.00 H new ATOM 0 HB ILE A 47 22.586 7.454 -21.904 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.998 6.028 -19.299 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.108 5.508 -20.551 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.115 9.067 -20.045 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.807 9.068 -21.253 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.590 8.214 -19.706 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.323 6.505 -18.661 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.539 7.493 -20.125 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.411 8.021 -18.853 1.00 0.00 H new ATOM 714 N ALA A 48 20.870 7.076 -24.085 1.00 0.00 N ATOM 715 CA ALA A 48 20.452 7.745 -25.319 1.00 0.00 C ATOM 716 C ALA A 48 19.230 7.088 -25.999 1.00 0.00 C ATOM 717 O ALA A 48 18.321 7.791 -26.446 1.00 0.00 O ATOM 718 CB ALA A 48 21.660 7.794 -26.261 1.00 0.00 C ATOM 0 H ALA A 48 21.769 6.601 -24.161 1.00 0.00 H new ATOM 0 HA ALA A 48 20.117 8.751 -25.068 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.377 8.288 -27.190 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.469 8.349 -25.787 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.994 6.779 -26.477 1.00 0.00 H new ATOM 724 N MET A 49 19.172 5.751 -26.046 1.00 0.00 N ATOM 725 CA MET A 49 18.067 4.996 -26.664 1.00 0.00 C ATOM 726 C MET A 49 16.736 5.140 -25.918 1.00 0.00 C ATOM 727 O MET A 49 15.687 4.936 -26.532 1.00 0.00 O ATOM 728 CB MET A 49 18.441 3.508 -26.770 1.00 0.00 C ATOM 729 CG MET A 49 19.506 3.213 -27.834 1.00 0.00 C ATOM 730 SD MET A 49 18.917 3.275 -29.550 1.00 0.00 S ATOM 731 CE MET A 49 19.655 4.847 -30.076 1.00 0.00 C ATOM 0 H MET A 49 19.898 5.153 -25.652 1.00 0.00 H new ATOM 0 HA MET A 49 17.920 5.424 -27.656 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.803 3.164 -25.801 1.00 0.00 H new ATOM 0 HB3 MET A 49 17.544 2.932 -26.998 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.320 3.929 -27.719 1.00 0.00 H new ATOM 0 HG3 MET A 49 19.922 2.224 -27.645 1.00 0.00 H new ATOM 0 HE1 MET A 49 19.592 4.934 -31.161 1.00 0.00 H new ATOM 0 HE2 MET A 49 19.116 5.674 -29.614 1.00 0.00 H new ATOM 0 HE3 MET A 49 20.701 4.879 -29.770 1.00 0.00 H new ATOM 741 N MET A 50 16.750 5.477 -24.620 1.00 0.00 N ATOM 742 CA MET A 50 15.524 5.625 -23.819 1.00 0.00 C ATOM 743 C MET A 50 15.177 7.091 -23.502 1.00 0.00 C ATOM 744 O MET A 50 14.009 7.398 -23.265 1.00 0.00 O ATOM 745 CB MET A 50 15.557 4.742 -22.563 1.00 0.00 C ATOM 746 CG MET A 50 16.108 3.317 -22.729 1.00 0.00 C ATOM 747 SD MET A 50 15.847 2.446 -24.294 1.00 0.00 S ATOM 748 CE MET A 50 17.020 1.080 -24.079 1.00 0.00 C ATOM 0 H MET A 50 17.607 5.654 -24.097 1.00 0.00 H new ATOM 0 HA MET A 50 14.706 5.265 -24.443 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.154 5.251 -21.806 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.542 4.670 -22.172 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.183 3.358 -22.552 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.677 2.704 -21.937 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.112 0.528 -25.015 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.994 1.478 -23.796 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.660 0.411 -23.297 1.00 0.00 H new ATOM 758 N GLU A 51 16.119 8.034 -23.602 1.00 0.00 N ATOM 759 CA GLU A 51 15.813 9.475 -23.530 1.00 0.00 C ATOM 760 C GLU A 51 14.869 9.934 -24.657 1.00 0.00 C ATOM 761 O GLU A 51 14.043 10.821 -24.449 1.00 0.00 O ATOM 762 CB GLU A 51 17.102 10.309 -23.584 1.00 0.00 C ATOM 763 CG GLU A 51 17.725 10.497 -22.199 1.00 0.00 C ATOM 764 CD GLU A 51 18.961 11.420 -22.269 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.958 11.078 -22.953 1.00 0.00 O ATOM 766 OE2 GLU A 51 18.940 12.509 -21.642 1.00 0.00 O ATOM 0 H GLU A 51 17.109 7.827 -23.734 1.00 0.00 H new ATOM 0 HA GLU A 51 15.307 9.634 -22.578 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.822 9.821 -24.241 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.884 11.285 -24.018 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.987 10.922 -21.519 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.013 9.528 -21.791 1.00 0.00 H new ATOM 773 N GLU A 52 14.904 9.276 -25.823 1.00 0.00 N ATOM 774 CA GLU A 52 13.966 9.519 -26.939 1.00 0.00 C ATOM 775 C GLU A 52 12.546 8.958 -26.679 1.00 0.00 C ATOM 776 O GLU A 52 11.617 9.228 -27.441 1.00 0.00 O ATOM 777 CB GLU A 52 14.571 9.048 -28.277 1.00 0.00 C ATOM 778 CG GLU A 52 14.938 7.558 -28.307 1.00 0.00 C ATOM 779 CD GLU A 52 15.427 7.085 -29.690 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.403 7.639 -30.246 1.00 0.00 O ATOM 781 OE2 GLU A 52 14.869 6.099 -30.228 1.00 0.00 O ATOM 0 H GLU A 52 15.591 8.550 -26.025 1.00 0.00 H new ATOM 0 HA GLU A 52 13.823 10.597 -27.011 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.860 9.252 -29.077 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.465 9.636 -28.487 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.716 7.366 -27.568 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.068 6.969 -28.015 1.00 0.00 H new ATOM 788 N VAL A 53 12.375 8.215 -25.574 1.00 0.00 N ATOM 789 CA VAL A 53 11.090 7.754 -25.002 1.00 0.00 C ATOM 790 C VAL A 53 10.714 8.601 -23.757 1.00 0.00 C ATOM 791 O VAL A 53 9.668 8.400 -23.140 1.00 0.00 O ATOM 792 CB VAL A 53 11.158 6.227 -24.734 1.00 0.00 C ATOM 793 CG1 VAL A 53 9.858 5.608 -24.202 1.00 0.00 C ATOM 794 CG2 VAL A 53 11.521 5.463 -26.016 1.00 0.00 C ATOM 0 H VAL A 53 13.172 7.900 -25.021 1.00 0.00 H new ATOM 0 HA VAL A 53 10.279 7.908 -25.714 1.00 0.00 H new ATOM 0 HB VAL A 53 11.922 6.130 -23.963 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.002 4.539 -24.045 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.590 6.081 -23.257 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.058 5.764 -24.926 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.563 4.395 -25.803 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.765 5.652 -26.778 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.493 5.799 -26.377 1.00 0.00 H new ATOM 804 N GLY A 54 11.546 9.588 -23.389 1.00 0.00 N ATOM 805 CA GLY A 54 11.373 10.446 -22.208 1.00 0.00 C ATOM 806 C GLY A 54 11.834 9.815 -20.885 1.00 0.00 C ATOM 807 O GLY A 54 11.483 10.312 -19.815 1.00 0.00 O ATOM 0 H GLY A 54 12.384 9.818 -23.923 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.925 11.373 -22.365 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.320 10.713 -22.120 1.00 0.00 H new ATOM 811 N ILE A 55 12.597 8.717 -20.947 1.00 0.00 N ATOM 812 CA ILE A 55 13.113 7.976 -19.781 1.00 0.00 C ATOM 813 C ILE A 55 14.471 8.543 -19.337 1.00 0.00 C ATOM 814 O ILE A 55 15.207 9.123 -20.134 1.00 0.00 O ATOM 815 CB ILE A 55 13.232 6.464 -20.101 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.031 5.891 -20.881 1.00 0.00 C ATOM 817 CG2 ILE A 55 13.460 5.605 -18.843 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.671 6.000 -20.175 1.00 0.00 C ATOM 0 H ILE A 55 12.883 8.304 -21.835 1.00 0.00 H new ATOM 0 HA ILE A 55 12.406 8.097 -18.960 1.00 0.00 H new ATOM 0 HB ILE A 55 14.111 6.407 -20.744 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.965 6.404 -21.840 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.227 4.840 -21.095 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.536 4.556 -19.128 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.383 5.915 -18.353 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.623 5.735 -18.157 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.896 5.568 -20.809 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.708 5.461 -19.229 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.442 7.049 -19.986 1.00 0.00 H new ATOM 830 N ASP A 56 14.837 8.319 -18.077 1.00 0.00 N ATOM 831 CA ASP A 56 16.171 8.606 -17.536 1.00 0.00 C ATOM 832 C ASP A 56 16.730 7.432 -16.717 1.00 0.00 C ATOM 833 O ASP A 56 15.997 6.781 -15.976 1.00 0.00 O ATOM 834 CB ASP A 56 16.120 9.887 -16.682 1.00 0.00 C ATOM 835 CG ASP A 56 17.384 10.023 -15.819 1.00 0.00 C ATOM 836 OD1 ASP A 56 18.486 10.219 -16.386 1.00 0.00 O ATOM 837 OD2 ASP A 56 17.290 9.783 -14.593 1.00 0.00 O ATOM 0 H ASP A 56 14.202 7.923 -17.384 1.00 0.00 H new ATOM 0 HA ASP A 56 16.848 8.756 -18.377 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.023 10.757 -17.331 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.238 9.867 -16.042 1.00 0.00 H new ATOM 842 N ILE A 57 18.043 7.209 -16.819 1.00 0.00 N ATOM 843 CA ILE A 57 18.840 6.303 -15.968 1.00 0.00 C ATOM 844 C ILE A 57 20.204 6.914 -15.588 1.00 0.00 C ATOM 845 O ILE A 57 21.015 6.256 -14.947 1.00 0.00 O ATOM 846 CB ILE A 57 19.006 4.899 -16.600 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.486 4.968 -18.065 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.695 4.110 -16.507 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.198 3.689 -18.531 1.00 0.00 C ATOM 0 H ILE A 57 18.611 7.673 -17.528 1.00 0.00 H new ATOM 0 HA ILE A 57 18.275 6.174 -15.045 1.00 0.00 H new ATOM 0 HB ILE A 57 19.778 4.382 -16.030 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.629 5.155 -18.712 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.163 5.815 -18.179 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.830 3.126 -16.956 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.413 3.996 -15.460 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.909 4.647 -17.038 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.510 3.804 -19.569 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.074 3.512 -17.907 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.516 2.842 -18.448 1.00 0.00 H new ATOM 861 N SER A 58 20.477 8.173 -15.956 1.00 0.00 N ATOM 862 CA SER A 58 21.813 8.788 -15.853 1.00 0.00 C ATOM 863 C SER A 58 22.350 8.913 -14.417 1.00 0.00 C ATOM 864 O SER A 58 23.560 8.824 -14.202 1.00 0.00 O ATOM 865 CB SER A 58 21.807 10.163 -16.538 1.00 0.00 C ATOM 866 OG SER A 58 20.916 11.064 -15.904 1.00 0.00 O ATOM 0 H SER A 58 19.771 8.802 -16.338 1.00 0.00 H new ATOM 0 HA SER A 58 22.496 8.107 -16.362 1.00 0.00 H new ATOM 0 HB2 SER A 58 22.814 10.579 -16.526 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.523 10.047 -17.584 1.00 0.00 H new ATOM 0 HG SER A 58 20.031 10.995 -16.319 1.00 0.00 H new ATOM 872 N GLY A 59 21.458 9.078 -13.429 1.00 0.00 N ATOM 873 CA GLY A 59 21.799 9.205 -12.004 1.00 0.00 C ATOM 874 C GLY A 59 21.871 7.887 -11.220 1.00 0.00 C ATOM 875 O GLY A 59 22.198 7.913 -10.032 1.00 0.00 O ATOM 0 H GLY A 59 20.454 9.128 -13.603 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.762 9.709 -11.923 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.061 9.850 -11.528 1.00 0.00 H new ATOM 879 N GLN A 60 21.546 6.739 -11.834 1.00 0.00 N ATOM 880 CA GLN A 60 21.473 5.440 -11.142 1.00 0.00 C ATOM 881 C GLN A 60 22.826 4.701 -11.101 1.00 0.00 C ATOM 882 O GLN A 60 23.645 4.796 -12.016 1.00 0.00 O ATOM 883 CB GLN A 60 20.368 4.565 -11.764 1.00 0.00 C ATOM 884 CG GLN A 60 18.959 5.032 -11.362 1.00 0.00 C ATOM 885 CD GLN A 60 17.906 4.561 -12.352 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.303 5.358 -13.052 1.00 0.00 O ATOM 887 NE2 GLN A 60 17.668 3.279 -12.474 1.00 0.00 N ATOM 0 H GLN A 60 21.325 6.684 -12.828 1.00 0.00 H new ATOM 0 HA GLN A 60 21.216 5.643 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.459 4.586 -12.850 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.508 3.530 -11.452 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.720 4.653 -10.369 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.940 6.120 -11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.170 2.609 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.981 2.950 -13.152 1.00 0.00 H new ATOM 896 N THR A 61 23.030 3.927 -10.031 1.00 0.00 N ATOM 897 CA THR A 61 24.151 2.985 -9.832 1.00 0.00 C ATOM 898 C THR A 61 23.663 1.742 -9.065 1.00 0.00 C ATOM 899 O THR A 61 22.501 1.704 -8.650 1.00 0.00 O ATOM 900 CB THR A 61 25.333 3.684 -9.143 1.00 0.00 C ATOM 901 OG1 THR A 61 26.465 2.844 -9.206 1.00 0.00 O ATOM 902 CG2 THR A 61 25.077 4.046 -7.676 1.00 0.00 C ATOM 0 H THR A 61 22.390 3.936 -9.237 1.00 0.00 H new ATOM 0 HA THR A 61 24.516 2.645 -10.801 1.00 0.00 H new ATOM 0 HB THR A 61 25.487 4.621 -9.677 1.00 0.00 H new ATOM 0 HG1 THR A 61 27.224 3.284 -8.770 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.959 4.535 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.224 4.721 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.866 3.139 -7.109 1.00 0.00 H new ATOM 910 N SER A 62 24.491 0.708 -8.916 1.00 0.00 N ATOM 911 CA SER A 62 24.110 -0.606 -8.368 1.00 0.00 C ATOM 912 C SER A 62 25.104 -1.126 -7.318 1.00 0.00 C ATOM 913 O SER A 62 26.210 -0.594 -7.171 1.00 0.00 O ATOM 914 CB SER A 62 23.996 -1.605 -9.515 1.00 0.00 C ATOM 915 OG SER A 62 23.262 -2.757 -9.142 1.00 0.00 O ATOM 0 H SER A 62 25.475 0.757 -9.179 1.00 0.00 H new ATOM 0 HA SER A 62 23.153 -0.489 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.512 -1.126 -10.366 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.994 -1.900 -9.840 1.00 0.00 H new ATOM 0 HG SER A 62 22.932 -3.209 -9.946 1.00 0.00 H new ATOM 921 N ASP A 63 24.703 -2.170 -6.586 1.00 0.00 N ATOM 922 CA ASP A 63 25.526 -2.888 -5.606 1.00 0.00 C ATOM 923 C ASP A 63 25.169 -4.391 -5.577 1.00 0.00 C ATOM 924 O ASP A 63 24.045 -4.752 -5.953 1.00 0.00 O ATOM 925 CB ASP A 63 25.342 -2.293 -4.200 1.00 0.00 C ATOM 926 CG ASP A 63 25.992 -0.909 -4.043 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.237 -0.843 -3.889 1.00 0.00 O ATOM 928 OD2 ASP A 63 25.261 0.112 -4.005 1.00 0.00 O ATOM 0 H ASP A 63 23.761 -2.553 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 63 26.567 -2.778 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.277 -2.215 -3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 63 25.769 -2.974 -3.464 1.00 0.00 H new ATOM 933 N PRO A 64 26.074 -5.277 -5.104 1.00 0.00 N ATOM 934 CA PRO A 64 25.791 -6.700 -4.904 1.00 0.00 C ATOM 935 C PRO A 64 24.615 -6.945 -3.946 1.00 0.00 C ATOM 936 O PRO A 64 24.542 -6.345 -2.873 1.00 0.00 O ATOM 937 CB PRO A 64 27.091 -7.319 -4.368 1.00 0.00 C ATOM 938 CG PRO A 64 28.172 -6.358 -4.858 1.00 0.00 C ATOM 939 CD PRO A 64 27.468 -5.005 -4.775 1.00 0.00 C ATOM 0 HA PRO A 64 25.483 -7.160 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 64 27.082 -7.392 -3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 64 27.245 -8.327 -4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 64 29.062 -6.392 -4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.491 -6.589 -5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.560 -4.574 -3.778 1.00 0.00 H new ATOM 0 HD3 PRO A 64 27.905 -4.291 -5.473 1.00 0.00 H new ATOM 947 N ILE A 65 23.707 -7.855 -4.306 1.00 0.00 N ATOM 948 CA ILE A 65 22.424 -8.039 -3.600 1.00 0.00 C ATOM 949 C ILE A 65 22.540 -8.357 -2.100 1.00 0.00 C ATOM 950 O ILE A 65 21.713 -7.903 -1.311 1.00 0.00 O ATOM 951 CB ILE A 65 21.562 -9.077 -4.357 1.00 0.00 C ATOM 952 CG1 ILE A 65 20.090 -8.973 -3.912 1.00 0.00 C ATOM 953 CG2 ILE A 65 22.112 -10.512 -4.230 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.158 -9.890 -4.707 1.00 0.00 C ATOM 0 H ILE A 65 23.835 -8.489 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 65 21.925 -7.070 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 65 21.613 -8.840 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 65 20.018 -9.221 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.755 -7.941 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.468 -11.198 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 65 23.121 -10.553 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 65 22.136 -10.801 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.136 -9.771 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.203 -9.627 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.470 -10.926 -4.578 1.00 0.00 H new ATOM 966 N GLU A 66 23.594 -9.057 -1.671 1.00 0.00 N ATOM 967 CA GLU A 66 23.781 -9.427 -0.257 1.00 0.00 C ATOM 968 C GLU A 66 24.111 -8.224 0.659 1.00 0.00 C ATOM 969 O GLU A 66 24.076 -8.363 1.885 1.00 0.00 O ATOM 970 CB GLU A 66 24.835 -10.538 -0.129 1.00 0.00 C ATOM 971 CG GLU A 66 24.454 -11.823 -0.878 1.00 0.00 C ATOM 972 CD GLU A 66 25.490 -12.935 -0.614 1.00 0.00 C ATOM 973 OE1 GLU A 66 26.485 -13.037 -1.373 1.00 0.00 O ATOM 974 OE2 GLU A 66 25.317 -13.713 0.357 1.00 0.00 O ATOM 0 H GLU A 66 24.339 -9.383 -2.286 1.00 0.00 H new ATOM 0 HA GLU A 66 22.822 -9.806 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.788 -10.172 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.982 -10.770 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.466 -12.156 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 66 24.393 -11.622 -1.948 1.00 0.00 H new ATOM 981 N ASN A 67 24.380 -7.032 0.097 1.00 0.00 N ATOM 982 CA ASN A 67 24.495 -5.790 0.874 1.00 0.00 C ATOM 983 C ASN A 67 23.121 -5.237 1.335 1.00 0.00 C ATOM 984 O ASN A 67 23.069 -4.451 2.284 1.00 0.00 O ATOM 985 CB ASN A 67 25.328 -4.744 0.094 1.00 0.00 C ATOM 986 CG ASN A 67 24.481 -3.650 -0.546 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.363 -2.541 -0.043 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.834 -3.934 -1.647 1.00 0.00 N ATOM 0 H ASN A 67 24.523 -6.905 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 67 25.029 -6.024 1.795 1.00 0.00 H new ATOM 0 HB2 ASN A 67 26.048 -4.286 0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.900 -5.252 -0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.235 -3.232 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.929 -4.857 -2.071 1.00 0.00 H new ATOM 995 N PHE A 68 22.019 -5.630 0.679 1.00 0.00 N ATOM 996 CA PHE A 68 20.664 -5.130 0.942 1.00 0.00 C ATOM 997 C PHE A 68 19.855 -6.037 1.889 1.00 0.00 C ATOM 998 O PHE A 68 20.226 -7.181 2.165 1.00 0.00 O ATOM 999 CB PHE A 68 19.928 -4.916 -0.397 1.00 0.00 C ATOM 1000 CG PHE A 68 20.549 -3.901 -1.340 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.813 -2.587 -0.903 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.837 -4.263 -2.671 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.377 -1.649 -1.785 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.403 -3.321 -3.550 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.668 -2.017 -3.109 1.00 0.00 C ATOM 0 H PHE A 68 22.048 -6.323 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 68 20.759 -4.177 1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.868 -5.874 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.906 -4.605 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.581 -2.300 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.623 -5.264 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.587 -0.646 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.634 -3.603 -4.567 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.096 -1.295 -3.788 1.00 0.00 H new ATOM 1015 N ASN A 69 18.717 -5.513 2.367 1.00 0.00 N ATOM 1016 CA ASN A 69 17.747 -6.211 3.225 1.00 0.00 C ATOM 1017 C ASN A 69 16.401 -6.391 2.504 1.00 0.00 C ATOM 1018 O ASN A 69 15.680 -5.416 2.292 1.00 0.00 O ATOM 1019 CB ASN A 69 17.610 -5.449 4.565 1.00 0.00 C ATOM 1020 CG ASN A 69 17.591 -3.920 4.477 1.00 0.00 C ATOM 1021 OD1 ASN A 69 18.409 -3.241 5.082 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.685 -3.319 3.733 1.00 0.00 N ATOM 0 H ASN A 69 18.436 -4.555 2.159 1.00 0.00 H new ATOM 0 HA ASN A 69 18.107 -7.216 3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.691 -5.775 5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.436 -5.744 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.672 -2.301 3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.996 -3.872 3.222 1.00 0.00 H new ATOM 1029 N ALA A 70 16.001 -7.613 2.161 1.00 0.00 N ATOM 1030 CA ALA A 70 14.780 -7.850 1.386 1.00 0.00 C ATOM 1031 C ALA A 70 13.488 -7.495 2.149 1.00 0.00 C ATOM 1032 O ALA A 70 12.442 -7.322 1.531 1.00 0.00 O ATOM 1033 CB ALA A 70 14.770 -9.300 0.920 1.00 0.00 C ATOM 0 H ALA A 70 16.508 -8.463 2.409 1.00 0.00 H new ATOM 0 HA ALA A 70 14.794 -7.179 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.866 -9.490 0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.645 -9.488 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.792 -9.961 1.787 1.00 0.00 H new ATOM 1039 N ASP A 71 13.554 -7.329 3.472 1.00 0.00 N ATOM 1040 CA ASP A 71 12.423 -6.926 4.328 1.00 0.00 C ATOM 1041 C ASP A 71 11.783 -5.585 3.900 1.00 0.00 C ATOM 1042 O ASP A 71 10.631 -5.297 4.226 1.00 0.00 O ATOM 1043 CB ASP A 71 12.948 -6.796 5.764 1.00 0.00 C ATOM 1044 CG ASP A 71 11.817 -6.578 6.784 1.00 0.00 C ATOM 1045 OD1 ASP A 71 10.979 -7.494 6.965 1.00 0.00 O ATOM 1046 OD2 ASP A 71 11.784 -5.506 7.437 1.00 0.00 O ATOM 0 H ASP A 71 14.417 -7.474 3.997 1.00 0.00 H new ATOM 0 HA ASP A 71 11.646 -7.685 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.503 -7.696 6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.648 -5.962 5.818 1.00 0.00 H new ATOM 1051 N ASP A 72 12.536 -4.779 3.145 1.00 0.00 N ATOM 1052 CA ASP A 72 12.174 -3.451 2.662 1.00 0.00 C ATOM 1053 C ASP A 72 11.734 -3.445 1.180 1.00 0.00 C ATOM 1054 O ASP A 72 11.397 -2.385 0.658 1.00 0.00 O ATOM 1055 CB ASP A 72 13.376 -2.532 2.936 1.00 0.00 C ATOM 1056 CG ASP A 72 13.054 -1.035 2.782 1.00 0.00 C ATOM 1057 OD1 ASP A 72 12.091 -0.542 3.417 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.813 -0.326 2.077 1.00 0.00 O ATOM 0 H ASP A 72 13.469 -5.056 2.839 1.00 0.00 H new ATOM 0 HA ASP A 72 11.294 -3.086 3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.740 -2.715 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.185 -2.793 2.254 1.00 0.00 H new ATOM 1063 N TYR A 73 11.733 -4.607 0.501 1.00 0.00 N ATOM 1064 CA TYR A 73 11.409 -4.774 -0.915 1.00 0.00 C ATOM 1065 C TYR A 73 10.300 -5.817 -1.072 1.00 0.00 C ATOM 1066 O TYR A 73 10.533 -6.969 -1.437 1.00 0.00 O ATOM 1067 CB TYR A 73 12.667 -5.133 -1.715 1.00 0.00 C ATOM 1068 CG TYR A 73 13.772 -4.112 -1.570 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.863 -3.023 -2.451 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.676 -4.224 -0.503 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.875 -2.065 -2.270 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.687 -3.266 -0.307 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.789 -2.175 -1.199 1.00 0.00 C ATOM 1074 OH TYR A 73 16.760 -1.231 -1.045 1.00 0.00 O ATOM 0 H TYR A 73 11.970 -5.491 0.951 1.00 0.00 H new ATOM 0 HA TYR A 73 11.036 -3.833 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 73 13.034 -6.106 -1.387 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.405 -5.229 -2.769 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.159 -2.922 -3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.594 -5.058 0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.955 -1.236 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.378 -3.363 0.517 1.00 0.00 H new ATOM 0 HH TYR A 73 17.307 -1.449 -0.261 1.00 0.00 H new ATOM 1084 N ASP A 74 9.077 -5.386 -0.776 1.00 0.00 N ATOM 1085 CA ASP A 74 7.838 -6.178 -0.781 1.00 0.00 C ATOM 1086 C ASP A 74 7.583 -6.899 -2.117 1.00 0.00 C ATOM 1087 O ASP A 74 6.845 -7.883 -2.178 1.00 0.00 O ATOM 1088 CB ASP A 74 6.636 -5.245 -0.517 1.00 0.00 C ATOM 1089 CG ASP A 74 6.929 -4.129 0.496 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.554 -3.125 0.077 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.536 -4.255 1.680 1.00 0.00 O ATOM 0 H ASP A 74 8.908 -4.416 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 74 7.952 -6.934 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.324 -4.795 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.798 -5.841 -0.155 1.00 0.00 H new ATOM 1096 N VAL A 75 8.164 -6.385 -3.204 1.00 0.00 N ATOM 1097 CA VAL A 75 7.976 -6.866 -4.567 1.00 0.00 C ATOM 1098 C VAL A 75 9.349 -6.981 -5.245 1.00 0.00 C ATOM 1099 O VAL A 75 10.135 -6.036 -5.222 1.00 0.00 O ATOM 1100 CB VAL A 75 7.007 -5.916 -5.295 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.824 -6.316 -6.763 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.624 -5.874 -4.632 1.00 0.00 C ATOM 0 H VAL A 75 8.803 -5.591 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 75 7.527 -7.859 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 75 7.462 -4.927 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.134 -5.624 -7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.787 -6.282 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.421 -7.327 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.977 -5.190 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.187 -6.872 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.724 -5.529 -3.603 1.00 0.00 H new ATOM 1112 N VAL A 76 9.679 -8.139 -5.832 1.00 0.00 N ATOM 1113 CA VAL A 76 11.028 -8.402 -6.389 1.00 0.00 C ATOM 1114 C VAL A 76 10.935 -9.082 -7.758 1.00 0.00 C ATOM 1115 O VAL A 76 10.296 -10.120 -7.897 1.00 0.00 O ATOM 1116 CB VAL A 76 11.887 -9.222 -5.401 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.283 -9.524 -5.967 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.087 -8.497 -4.059 1.00 0.00 C ATOM 0 H VAL A 76 9.030 -8.919 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 76 11.526 -7.443 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 76 11.333 -10.147 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.853 -10.102 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.186 -10.096 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.802 -8.588 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.697 -9.114 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.588 -7.545 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.117 -8.318 -3.594 1.00 0.00 H new ATOM 1128 N ILE A 77 11.568 -8.492 -8.777 1.00 0.00 N ATOM 1129 CA ILE A 77 11.527 -8.933 -10.181 1.00 0.00 C ATOM 1130 C ILE A 77 12.944 -9.349 -10.606 1.00 0.00 C ATOM 1131 O ILE A 77 13.862 -8.527 -10.583 1.00 0.00 O ATOM 1132 CB ILE A 77 10.961 -7.802 -11.091 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.433 -7.518 -11.053 1.00 0.00 C ATOM 1134 CG2 ILE A 77 11.298 -8.053 -12.575 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.734 -7.688 -9.707 1.00 0.00 C ATOM 0 H ILE A 77 12.146 -7.662 -8.645 1.00 0.00 H new ATOM 0 HA ILE A 77 10.861 -9.790 -10.287 1.00 0.00 H new ATOM 0 HB ILE A 77 11.455 -6.933 -10.656 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.269 -6.496 -11.394 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.947 -8.176 -11.773 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.889 -7.246 -13.183 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.380 -8.090 -12.701 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.864 -9.001 -12.891 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.674 -7.460 -9.816 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.851 -8.716 -9.364 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.178 -7.009 -8.978 1.00 0.00 H new ATOM 1147 N SER A 78 13.118 -10.597 -11.042 1.00 0.00 N ATOM 1148 CA SER A 78 14.344 -11.096 -11.683 1.00 0.00 C ATOM 1149 C SER A 78 14.325 -10.853 -13.186 1.00 0.00 C ATOM 1150 O SER A 78 13.323 -11.124 -13.837 1.00 0.00 O ATOM 1151 CB SER A 78 14.515 -12.592 -11.417 1.00 0.00 C ATOM 1152 OG SER A 78 15.610 -13.087 -12.176 1.00 0.00 O ATOM 0 H SER A 78 12.394 -11.310 -10.959 1.00 0.00 H new ATOM 0 HA SER A 78 15.182 -10.549 -11.252 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.687 -12.766 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.603 -13.126 -11.684 1.00 0.00 H new ATOM 0 HG SER A 78 15.468 -14.036 -12.374 1.00 0.00 H new ATOM 1158 N LEU A 79 15.456 -10.425 -13.754 1.00 0.00 N ATOM 1159 CA LEU A 79 15.679 -10.341 -15.202 1.00 0.00 C ATOM 1160 C LEU A 79 16.726 -11.357 -15.704 1.00 0.00 C ATOM 1161 O LEU A 79 17.141 -11.308 -16.860 1.00 0.00 O ATOM 1162 CB LEU A 79 15.953 -8.879 -15.618 1.00 0.00 C ATOM 1163 CG LEU A 79 14.794 -7.922 -15.257 1.00 0.00 C ATOM 1164 CD1 LEU A 79 15.040 -7.202 -13.928 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.626 -6.839 -16.317 1.00 0.00 C ATOM 0 H LEU A 79 16.262 -10.120 -13.208 1.00 0.00 H new ATOM 0 HA LEU A 79 14.763 -10.641 -15.712 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.866 -8.534 -15.133 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.128 -8.840 -16.693 1.00 0.00 H new ATOM 0 HG LEU A 79 13.903 -8.547 -15.189 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.202 -6.540 -13.712 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.137 -7.937 -13.129 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.957 -6.616 -13.996 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.804 -6.180 -16.037 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.546 -6.259 -16.394 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.408 -7.302 -17.279 1.00 0.00 H new ATOM 1177 N CYS A 80 17.105 -12.318 -14.847 1.00 0.00 N ATOM 1178 CA CYS A 80 17.920 -13.494 -15.185 1.00 0.00 C ATOM 1179 C CYS A 80 17.082 -14.796 -15.260 1.00 0.00 C ATOM 1180 O CYS A 80 17.635 -15.898 -15.280 1.00 0.00 O ATOM 1181 CB CYS A 80 19.069 -13.605 -14.169 1.00 0.00 C ATOM 1182 SG CYS A 80 20.168 -12.165 -14.288 1.00 0.00 S ATOM 0 H CYS A 80 16.842 -12.296 -13.862 1.00 0.00 H new ATOM 0 HA CYS A 80 18.333 -13.361 -16.185 1.00 0.00 H new ATOM 0 HB2 CYS A 80 18.664 -13.677 -13.160 1.00 0.00 H new ATOM 0 HB3 CYS A 80 19.636 -14.518 -14.351 1.00 0.00 H new ATOM 0 HG CYS A 80 19.543 -11.190 -14.879 1.00 0.00 H new ATOM 1188 N GLY A 81 15.748 -14.674 -15.269 1.00 0.00 N ATOM 1189 CA GLY A 81 14.808 -15.796 -15.217 1.00 0.00 C ATOM 1190 C GLY A 81 14.740 -16.492 -13.852 1.00 0.00 C ATOM 1191 O GLY A 81 15.407 -16.106 -12.892 1.00 0.00 O ATOM 0 H GLY A 81 15.283 -13.767 -15.314 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.813 -15.435 -15.479 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.091 -16.529 -15.973 1.00 0.00 H new ATOM 1195 N CYS A 82 13.916 -17.536 -13.758 1.00 0.00 N ATOM 1196 CA CYS A 82 13.695 -18.306 -12.520 1.00 0.00 C ATOM 1197 C CYS A 82 14.972 -19.024 -12.027 1.00 0.00 C ATOM 1198 O CYS A 82 15.151 -19.243 -10.828 1.00 0.00 O ATOM 1199 CB CYS A 82 12.535 -19.281 -12.783 1.00 0.00 C ATOM 1200 SG CYS A 82 11.935 -20.008 -11.227 1.00 0.00 S ATOM 0 H CYS A 82 13.372 -17.881 -14.549 1.00 0.00 H new ATOM 0 HA CYS A 82 13.434 -17.629 -11.707 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.720 -18.757 -13.283 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.865 -20.073 -13.456 1.00 0.00 H new ATOM 0 HG CYS A 82 10.955 -20.825 -11.479 1.00 0.00 H new ATOM 1206 N GLY A 83 15.914 -19.314 -12.940 1.00 0.00 N ATOM 1207 CA GLY A 83 17.242 -19.873 -12.647 1.00 0.00 C ATOM 1208 C GLY A 83 18.229 -18.916 -11.953 1.00 0.00 C ATOM 1209 O GLY A 83 19.382 -19.292 -11.731 1.00 0.00 O ATOM 0 H GLY A 83 15.765 -19.160 -13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.115 -20.754 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.688 -20.211 -13.582 1.00 0.00 H new ATOM 1213 N VAL A 84 17.805 -17.694 -11.602 1.00 0.00 N ATOM 1214 CA VAL A 84 18.578 -16.723 -10.822 1.00 0.00 C ATOM 1215 C VAL A 84 18.930 -17.293 -9.439 1.00 0.00 C ATOM 1216 O VAL A 84 18.101 -17.915 -8.771 1.00 0.00 O ATOM 1217 CB VAL A 84 17.814 -15.380 -10.733 1.00 0.00 C ATOM 1218 CG1 VAL A 84 16.546 -15.436 -9.869 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.696 -14.234 -10.234 1.00 0.00 C ATOM 0 H VAL A 84 16.883 -17.344 -11.863 1.00 0.00 H new ATOM 0 HA VAL A 84 19.522 -16.526 -11.329 1.00 0.00 H new ATOM 0 HB VAL A 84 17.511 -15.188 -11.762 1.00 0.00 H new ATOM 0 HG11 VAL A 84 16.070 -14.456 -9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.856 -16.171 -10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.812 -15.722 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.110 -13.316 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.072 -14.471 -9.239 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.535 -14.097 -10.916 1.00 0.00 H new ATOM 1229 N ASN A 85 20.169 -17.073 -9.001 1.00 0.00 N ATOM 1230 CA ASN A 85 20.621 -17.461 -7.664 1.00 0.00 C ATOM 1231 C ASN A 85 20.270 -16.345 -6.660 1.00 0.00 C ATOM 1232 O ASN A 85 20.721 -15.212 -6.822 1.00 0.00 O ATOM 1233 CB ASN A 85 22.128 -17.782 -7.719 1.00 0.00 C ATOM 1234 CG ASN A 85 22.698 -18.292 -6.399 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.996 -18.552 -5.432 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.998 -18.465 -6.321 1.00 0.00 N ATOM 0 H ASN A 85 20.889 -16.620 -9.564 1.00 0.00 H new ATOM 0 HA ASN A 85 20.112 -18.362 -7.320 1.00 0.00 H new ATOM 0 HB2 ASN A 85 22.303 -18.530 -8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.671 -16.884 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.415 -18.814 -5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.590 -18.250 -7.123 1.00 0.00 H new ATOM 1243 N LEU A 86 19.452 -16.639 -5.645 1.00 0.00 N ATOM 1244 CA LEU A 86 18.963 -15.657 -4.666 1.00 0.00 C ATOM 1245 C LEU A 86 18.891 -16.235 -3.237 1.00 0.00 C ATOM 1246 O LEU A 86 18.403 -17.360 -3.072 1.00 0.00 O ATOM 1247 CB LEU A 86 17.546 -15.182 -5.065 1.00 0.00 C ATOM 1248 CG LEU A 86 17.457 -14.196 -6.241 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.989 -13.905 -6.551 1.00 0.00 C ATOM 1250 CD2 LEU A 86 18.117 -12.853 -5.932 1.00 0.00 C ATOM 0 H LEU A 86 19.103 -17.582 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 86 19.672 -14.829 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.949 -16.060 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.085 -14.716 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 86 17.973 -14.665 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.925 -13.206 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.482 -14.833 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.512 -13.468 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 86 18.025 -12.195 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.626 -12.395 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.172 -13.009 -5.706 1.00 0.00 H new ATOM 1262 N PRO A 87 19.310 -15.476 -2.201 1.00 0.00 N ATOM 1263 CA PRO A 87 19.057 -15.840 -0.804 1.00 0.00 C ATOM 1264 C PRO A 87 17.537 -15.896 -0.539 1.00 0.00 C ATOM 1265 O PRO A 87 16.786 -15.157 -1.185 1.00 0.00 O ATOM 1266 CB PRO A 87 19.773 -14.778 0.050 1.00 0.00 C ATOM 1267 CG PRO A 87 20.833 -14.207 -0.892 1.00 0.00 C ATOM 1268 CD PRO A 87 20.185 -14.314 -2.272 1.00 0.00 C ATOM 0 HA PRO A 87 19.438 -16.830 -0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.083 -14.006 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.224 -15.217 0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 87 21.076 -13.174 -0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.762 -14.775 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.622 -13.412 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.938 -14.436 -3.051 1.00 0.00 H new ATOM 1276 N PRO A 88 17.047 -16.718 0.409 1.00 0.00 N ATOM 1277 CA PRO A 88 15.610 -16.991 0.571 1.00 0.00 C ATOM 1278 C PRO A 88 14.747 -15.748 0.836 1.00 0.00 C ATOM 1279 O PRO A 88 13.617 -15.654 0.358 1.00 0.00 O ATOM 1280 CB PRO A 88 15.521 -18.026 1.701 1.00 0.00 C ATOM 1281 CG PRO A 88 16.837 -17.873 2.463 1.00 0.00 C ATOM 1282 CD PRO A 88 17.824 -17.499 1.363 1.00 0.00 C ATOM 0 HA PRO A 88 15.193 -17.366 -0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.664 -17.836 2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.405 -19.036 1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.773 -17.100 3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.123 -18.797 2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.658 -16.920 1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.248 -18.387 0.894 1.00 0.00 H new ATOM 1290 N GLU A 89 15.295 -14.730 1.504 1.00 0.00 N ATOM 1291 CA GLU A 89 14.582 -13.469 1.756 1.00 0.00 C ATOM 1292 C GLU A 89 14.190 -12.708 0.470 1.00 0.00 C ATOM 1293 O GLU A 89 13.200 -11.981 0.463 1.00 0.00 O ATOM 1294 CB GLU A 89 15.378 -12.613 2.755 1.00 0.00 C ATOM 1295 CG GLU A 89 16.741 -12.122 2.250 1.00 0.00 C ATOM 1296 CD GLU A 89 17.413 -11.212 3.302 1.00 0.00 C ATOM 1297 OE1 GLU A 89 18.143 -11.740 4.177 1.00 0.00 O ATOM 1298 OE2 GLU A 89 17.221 -9.971 3.260 1.00 0.00 O ATOM 0 H GLU A 89 16.241 -14.753 1.885 1.00 0.00 H new ATOM 0 HA GLU A 89 13.622 -13.715 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.776 -11.747 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.533 -13.193 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.384 -12.975 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.614 -11.575 1.316 1.00 0.00 H new ATOM 1305 N TRP A 90 14.881 -12.924 -0.655 1.00 0.00 N ATOM 1306 CA TRP A 90 14.584 -12.257 -1.936 1.00 0.00 C ATOM 1307 C TRP A 90 13.475 -12.923 -2.764 1.00 0.00 C ATOM 1308 O TRP A 90 13.003 -12.333 -3.734 1.00 0.00 O ATOM 1309 CB TRP A 90 15.886 -12.104 -2.734 1.00 0.00 C ATOM 1310 CG TRP A 90 16.816 -11.123 -2.104 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.869 -11.409 -1.304 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.682 -9.676 -2.081 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.385 -10.239 -0.782 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.648 -9.146 -1.181 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.780 -8.771 -2.674 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.657 -7.796 -0.814 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.791 -7.408 -2.330 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.701 -6.930 -1.371 1.00 0.00 C ATOM 0 H TRP A 90 15.668 -13.570 -0.707 1.00 0.00 H new ATOM 0 HA TRP A 90 14.175 -11.275 -1.698 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.379 -13.073 -2.812 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.653 -11.782 -3.749 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.248 -12.400 -1.104 1.00 0.00 H new ATOM 0 HE1 TRP A 90 19.206 -10.191 -0.179 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.069 -9.130 -3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.389 -7.425 -0.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.099 -6.727 -2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.665 -5.896 -1.062 1.00 0.00 H new ATOM 1329 N VAL A 91 13.028 -14.120 -2.371 1.00 0.00 N ATOM 1330 CA VAL A 91 12.010 -14.929 -3.085 1.00 0.00 C ATOM 1331 C VAL A 91 10.732 -15.162 -2.272 1.00 0.00 C ATOM 1332 O VAL A 91 9.670 -15.396 -2.839 1.00 0.00 O ATOM 1333 CB VAL A 91 12.590 -16.283 -3.542 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.667 -16.096 -4.615 1.00 0.00 C ATOM 1335 CG2 VAL A 91 13.200 -17.073 -2.377 1.00 0.00 C ATOM 0 H VAL A 91 13.369 -14.574 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 91 11.732 -14.338 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 91 11.751 -16.844 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.055 -17.070 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.235 -15.595 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.479 -15.490 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.596 -18.019 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.006 -16.494 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.432 -17.269 -1.628 1.00 0.00 H new ATOM 1345 N THR A 92 10.814 -15.042 -0.943 1.00 0.00 N ATOM 1346 CA THR A 92 9.717 -15.272 0.024 1.00 0.00 C ATOM 1347 C THR A 92 8.786 -14.045 0.209 1.00 0.00 C ATOM 1348 O THR A 92 8.000 -13.957 1.157 1.00 0.00 O ATOM 1349 CB THR A 92 10.335 -15.794 1.336 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.374 -16.394 2.180 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.083 -14.699 2.089 1.00 0.00 C ATOM 0 H THR A 92 11.683 -14.770 -0.484 1.00 0.00 H new ATOM 0 HA THR A 92 9.041 -16.030 -0.372 1.00 0.00 H new ATOM 0 HB THR A 92 11.052 -16.561 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.559 -15.850 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.502 -15.110 3.007 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.888 -14.312 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.394 -13.891 2.335 1.00 0.00 H new ATOM 1359 N GLN A 93 8.880 -13.067 -0.699 1.00 0.00 N ATOM 1360 CA GLN A 93 8.112 -11.814 -0.698 1.00 0.00 C ATOM 1361 C GLN A 93 6.629 -12.015 -1.058 1.00 0.00 C ATOM 1362 O GLN A 93 6.238 -13.072 -1.560 1.00 0.00 O ATOM 1363 CB GLN A 93 8.761 -10.838 -1.693 1.00 0.00 C ATOM 1364 CG GLN A 93 10.197 -10.450 -1.320 1.00 0.00 C ATOM 1365 CD GLN A 93 10.326 -9.716 0.012 1.00 0.00 C ATOM 1366 OE1 GLN A 93 9.412 -9.080 0.525 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.488 -9.766 0.615 1.00 0.00 N ATOM 0 H GLN A 93 9.521 -13.129 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 93 8.134 -11.414 0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.761 -11.289 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.153 -9.935 -1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.807 -11.353 -1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.607 -9.820 -2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.256 -10.292 0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.624 -9.279 1.501 1.00 0.00 H new ATOM 1376 N GLU A 94 5.794 -10.986 -0.852 1.00 0.00 N ATOM 1377 CA GLU A 94 4.373 -11.057 -1.231 1.00 0.00 C ATOM 1378 C GLU A 94 4.168 -11.182 -2.752 1.00 0.00 C ATOM 1379 O GLU A 94 3.281 -11.929 -3.176 1.00 0.00 O ATOM 1380 CB GLU A 94 3.548 -9.902 -0.637 1.00 0.00 C ATOM 1381 CG GLU A 94 3.980 -8.478 -1.007 1.00 0.00 C ATOM 1382 CD GLU A 94 2.945 -7.454 -0.501 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.955 -7.119 0.709 1.00 0.00 O ATOM 1384 OE2 GLU A 94 2.106 -6.979 -1.307 1.00 0.00 O ATOM 0 H GLU A 94 6.074 -10.101 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 94 3.993 -11.978 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.511 -10.033 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.571 -9.992 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.956 -8.263 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.087 -8.393 -2.088 1.00 0.00 H new ATOM 1391 N ILE A 95 5.007 -10.527 -3.574 1.00 0.00 N ATOM 1392 CA ILE A 95 5.030 -10.728 -5.035 1.00 0.00 C ATOM 1393 C ILE A 95 6.469 -10.916 -5.535 1.00 0.00 C ATOM 1394 O ILE A 95 7.336 -10.068 -5.319 1.00 0.00 O ATOM 1395 CB ILE A 95 4.296 -9.579 -5.771 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.840 -9.440 -5.254 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.318 -9.795 -7.299 1.00 0.00 C ATOM 1398 CD1 ILE A 95 2.052 -8.270 -5.844 1.00 0.00 C ATOM 0 H ILE A 95 5.688 -9.843 -3.245 1.00 0.00 H new ATOM 0 HA ILE A 95 4.486 -11.644 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 95 4.825 -8.650 -5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.304 -10.364 -5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.865 -9.332 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.796 -8.974 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.350 -9.828 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.823 -10.736 -7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.048 -8.258 -5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.557 -7.334 -5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.988 -8.383 -6.926 1.00 0.00 H new ATOM 1410 N PHE A 96 6.708 -12.013 -6.255 1.00 0.00 N ATOM 1411 CA PHE A 96 7.952 -12.284 -6.981 1.00 0.00 C ATOM 1412 C PHE A 96 7.672 -12.506 -8.479 1.00 0.00 C ATOM 1413 O PHE A 96 6.652 -13.097 -8.841 1.00 0.00 O ATOM 1414 CB PHE A 96 8.678 -13.480 -6.344 1.00 0.00 C ATOM 1415 CG PHE A 96 10.043 -13.755 -6.946 1.00 0.00 C ATOM 1416 CD1 PHE A 96 11.170 -13.051 -6.481 1.00 0.00 C ATOM 1417 CD2 PHE A 96 10.189 -14.687 -7.993 1.00 0.00 C ATOM 1418 CE1 PHE A 96 12.432 -13.271 -7.061 1.00 0.00 C ATOM 1419 CE2 PHE A 96 11.451 -14.908 -8.572 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.572 -14.197 -8.109 1.00 0.00 C ATOM 0 H PHE A 96 6.021 -12.761 -6.353 1.00 0.00 H new ATOM 0 HA PHE A 96 8.609 -11.417 -6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.792 -13.298 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.057 -14.370 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.065 -12.339 -5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.329 -15.233 -8.352 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.294 -12.728 -6.701 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.559 -15.624 -9.373 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.540 -14.362 -8.558 1.00 0.00 H new ATOM 1430 N GLU A 97 8.579 -12.059 -9.349 1.00 0.00 N ATOM 1431 CA GLU A 97 8.506 -12.269 -10.803 1.00 0.00 C ATOM 1432 C GLU A 97 9.840 -12.730 -11.395 1.00 0.00 C ATOM 1433 O GLU A 97 10.913 -12.385 -10.897 1.00 0.00 O ATOM 1434 CB GLU A 97 8.137 -10.971 -11.537 1.00 0.00 C ATOM 1435 CG GLU A 97 6.764 -10.360 -11.239 1.00 0.00 C ATOM 1436 CD GLU A 97 5.583 -11.282 -11.606 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.724 -12.174 -12.477 1.00 0.00 O ATOM 1438 OE2 GLU A 97 4.470 -11.060 -11.076 1.00 0.00 O ATOM 0 H GLU A 97 9.402 -11.530 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 97 7.745 -13.037 -10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.896 -10.224 -11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.196 -11.161 -12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.707 -10.116 -10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.666 -9.423 -11.787 1.00 0.00 H new ATOM 1445 N ASP A 98 9.767 -13.433 -12.526 1.00 0.00 N ATOM 1446 CA ASP A 98 10.921 -13.765 -13.360 1.00 0.00 C ATOM 1447 C ASP A 98 10.646 -13.405 -14.828 1.00 0.00 C ATOM 1448 O ASP A 98 9.636 -13.808 -15.409 1.00 0.00 O ATOM 1449 CB ASP A 98 11.371 -15.219 -13.161 1.00 0.00 C ATOM 1450 CG ASP A 98 10.715 -16.223 -14.130 1.00 0.00 C ATOM 1451 OD1 ASP A 98 9.637 -16.773 -13.800 1.00 0.00 O ATOM 1452 OD2 ASP A 98 11.320 -16.496 -15.199 1.00 0.00 O ATOM 0 H ASP A 98 8.887 -13.794 -12.894 1.00 0.00 H new ATOM 0 HA ASP A 98 11.767 -13.156 -13.040 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.453 -15.272 -13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.147 -15.520 -12.138 1.00 0.00 H new ATOM 1457 N TRP A 99 11.537 -12.597 -15.410 1.00 0.00 N ATOM 1458 CA TRP A 99 11.453 -12.071 -16.775 1.00 0.00 C ATOM 1459 C TRP A 99 12.544 -12.700 -17.659 1.00 0.00 C ATOM 1460 O TRP A 99 13.621 -13.070 -17.189 1.00 0.00 O ATOM 1461 CB TRP A 99 11.483 -10.522 -16.761 1.00 0.00 C ATOM 1462 CG TRP A 99 10.354 -9.804 -16.054 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.237 -10.382 -15.545 1.00 0.00 C ATOM 1464 CD2 TRP A 99 10.188 -8.370 -15.791 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.438 -9.436 -14.939 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.966 -8.179 -15.079 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.923 -7.198 -16.098 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.503 -6.922 -14.682 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.464 -5.921 -15.707 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.252 -5.784 -15.006 1.00 0.00 C ATOM 0 H TRP A 99 12.373 -12.278 -14.921 1.00 0.00 H new ATOM 0 HA TRP A 99 10.499 -12.353 -17.220 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.420 -10.209 -16.301 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.505 -10.177 -17.795 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.006 -11.435 -15.606 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.567 -9.644 -14.450 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.852 -7.283 -16.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.578 -6.829 -14.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 11.047 -5.044 -15.948 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.900 -4.804 -14.719 1.00 0.00 H new ATOM 1481 N GLN A 100 12.249 -12.812 -18.956 1.00 0.00 N ATOM 1482 CA GLN A 100 13.024 -13.563 -19.965 1.00 0.00 C ATOM 1483 C GLN A 100 13.491 -12.573 -21.050 1.00 0.00 C ATOM 1484 O GLN A 100 13.315 -12.769 -22.253 1.00 0.00 O ATOM 1485 CB GLN A 100 12.145 -14.716 -20.498 1.00 0.00 C ATOM 1486 CG GLN A 100 11.707 -15.721 -19.411 1.00 0.00 C ATOM 1487 CD GLN A 100 12.844 -16.586 -18.861 1.00 0.00 C ATOM 1488 OE1 GLN A 100 13.826 -16.891 -19.527 1.00 0.00 O ATOM 1489 NE2 GLN A 100 12.755 -17.059 -17.635 1.00 0.00 N ATOM 0 H GLN A 100 11.426 -12.363 -19.357 1.00 0.00 H new ATOM 0 HA GLN A 100 13.921 -14.022 -19.550 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.257 -14.295 -20.969 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.694 -15.250 -21.273 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.252 -15.172 -18.587 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.937 -16.373 -19.824 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.950 -16.824 -17.055 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.491 -17.661 -17.266 1.00 0.00 H new ATOM 1498 N LEU A 101 14.029 -11.452 -20.564 1.00 0.00 N ATOM 1499 CA LEU A 101 14.350 -10.235 -21.307 1.00 0.00 C ATOM 1500 C LEU A 101 15.828 -10.183 -21.732 1.00 0.00 C ATOM 1501 O LEU A 101 16.732 -10.328 -20.908 1.00 0.00 O ATOM 1502 CB LEU A 101 13.880 -9.097 -20.374 1.00 0.00 C ATOM 1503 CG LEU A 101 13.843 -7.654 -20.883 1.00 0.00 C ATOM 1504 CD1 LEU A 101 15.223 -7.005 -20.836 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.249 -7.529 -22.281 1.00 0.00 C ATOM 0 H LEU A 101 14.267 -11.367 -19.576 1.00 0.00 H new ATOM 0 HA LEU A 101 13.847 -10.163 -22.271 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.874 -9.348 -20.039 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.523 -9.114 -19.494 1.00 0.00 H new ATOM 0 HG LEU A 101 13.181 -7.119 -20.202 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.156 -5.982 -21.205 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.587 -6.997 -19.808 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.913 -7.572 -21.461 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.251 -6.482 -22.585 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.845 -8.112 -22.983 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.225 -7.904 -22.276 1.00 0.00 H new ATOM 1517 N GLU A 102 16.080 -9.970 -23.021 1.00 0.00 N ATOM 1518 CA GLU A 102 17.387 -10.026 -23.662 1.00 0.00 C ATOM 1519 C GLU A 102 18.163 -8.708 -23.533 1.00 0.00 C ATOM 1520 O GLU A 102 17.601 -7.618 -23.490 1.00 0.00 O ATOM 1521 CB GLU A 102 17.258 -10.506 -25.129 1.00 0.00 C ATOM 1522 CG GLU A 102 16.694 -9.520 -26.176 1.00 0.00 C ATOM 1523 CD GLU A 102 15.155 -9.313 -26.183 1.00 0.00 C ATOM 1524 OE1 GLU A 102 14.450 -9.703 -25.223 1.00 0.00 O ATOM 1525 OE2 GLU A 102 14.638 -8.746 -27.179 1.00 0.00 O ATOM 0 H GLU A 102 15.336 -9.741 -23.680 1.00 0.00 H new ATOM 0 HA GLU A 102 17.985 -10.765 -23.129 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.247 -10.818 -25.465 1.00 0.00 H new ATOM 0 HB3 GLU A 102 16.625 -11.394 -25.134 1.00 0.00 H new ATOM 0 HG2 GLU A 102 17.167 -8.550 -26.019 1.00 0.00 H new ATOM 0 HG3 GLU A 102 16.995 -9.865 -27.165 1.00 0.00 H new ATOM 1532 N ASP A 103 19.482 -8.818 -23.453 1.00 0.00 N ATOM 1533 CA ASP A 103 20.417 -7.700 -23.310 1.00 0.00 C ATOM 1534 C ASP A 103 20.846 -7.122 -24.680 1.00 0.00 C ATOM 1535 O ASP A 103 21.371 -7.860 -25.520 1.00 0.00 O ATOM 1536 CB ASP A 103 21.622 -8.150 -22.470 1.00 0.00 C ATOM 1537 CG ASP A 103 22.368 -9.363 -23.066 1.00 0.00 C ATOM 1538 OD1 ASP A 103 21.797 -10.484 -23.072 1.00 0.00 O ATOM 1539 OD2 ASP A 103 23.543 -9.217 -23.481 1.00 0.00 O ATOM 0 H ASP A 103 19.953 -9.722 -23.487 1.00 0.00 H new ATOM 0 HA ASP A 103 19.912 -6.886 -22.790 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.318 -7.317 -22.372 1.00 0.00 H new ATOM 0 HB3 ASP A 103 21.282 -8.400 -21.465 1.00 0.00 H new ATOM 1544 N PRO A 104 20.644 -5.810 -24.933 1.00 0.00 N ATOM 1545 CA PRO A 104 20.920 -5.198 -26.235 1.00 0.00 C ATOM 1546 C PRO A 104 22.350 -4.653 -26.393 1.00 0.00 C ATOM 1547 O PRO A 104 22.750 -4.339 -27.507 1.00 0.00 O ATOM 1548 CB PRO A 104 19.884 -4.080 -26.347 1.00 0.00 C ATOM 1549 CG PRO A 104 19.757 -3.582 -24.907 1.00 0.00 C ATOM 1550 CD PRO A 104 19.884 -4.878 -24.102 1.00 0.00 C ATOM 0 HA PRO A 104 20.850 -5.942 -27.029 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.215 -3.289 -27.020 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.933 -4.448 -26.732 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.540 -2.867 -24.653 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.803 -3.086 -24.731 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.393 -4.698 -23.155 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.901 -5.284 -23.863 1.00 0.00 H new ATOM 1558 N ASP A 105 23.146 -4.548 -25.322 1.00 0.00 N ATOM 1559 CA ASP A 105 24.438 -3.834 -25.345 1.00 0.00 C ATOM 1560 C ASP A 105 25.542 -4.465 -26.217 1.00 0.00 C ATOM 1561 O ASP A 105 26.454 -3.757 -26.654 1.00 0.00 O ATOM 1562 CB ASP A 105 24.896 -3.541 -23.911 1.00 0.00 C ATOM 1563 CG ASP A 105 25.285 -4.809 -23.134 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.442 -5.276 -23.282 1.00 0.00 O ATOM 1565 OD2 ASP A 105 24.439 -5.323 -22.366 1.00 0.00 O ATOM 0 H ASP A 105 22.917 -4.953 -24.414 1.00 0.00 H new ATOM 0 HA ASP A 105 24.251 -2.893 -25.862 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.749 -2.863 -23.939 1.00 0.00 H new ATOM 0 HB3 ASP A 105 24.097 -3.026 -23.378 1.00 0.00 H new ATOM 1570 N GLY A 106 25.429 -5.759 -26.540 1.00 0.00 N ATOM 1571 CA GLY A 106 26.269 -6.453 -27.529 1.00 0.00 C ATOM 1572 C GLY A 106 25.625 -6.586 -28.922 1.00 0.00 C ATOM 1573 O GLY A 106 26.138 -7.329 -29.760 1.00 0.00 O ATOM 0 H GLY A 106 24.734 -6.370 -26.111 1.00 0.00 H new ATOM 0 HA2 GLY A 106 27.213 -5.917 -27.627 1.00 0.00 H new ATOM 0 HA3 GLY A 106 26.505 -7.449 -27.154 1.00 0.00 H new ATOM 1577 N GLN A 107 24.490 -5.914 -29.164 1.00 0.00 N ATOM 1578 CA GLN A 107 23.618 -6.083 -30.339 1.00 0.00 C ATOM 1579 C GLN A 107 23.454 -4.796 -31.174 1.00 0.00 C ATOM 1580 O GLN A 107 24.133 -3.791 -30.943 1.00 0.00 O ATOM 1581 CB GLN A 107 22.244 -6.617 -29.869 1.00 0.00 C ATOM 1582 CG GLN A 107 22.271 -7.739 -28.816 1.00 0.00 C ATOM 1583 CD GLN A 107 23.118 -8.944 -29.218 1.00 0.00 C ATOM 1584 OE1 GLN A 107 23.142 -9.390 -30.360 1.00 0.00 O ATOM 1585 NE2 GLN A 107 23.849 -9.513 -28.282 1.00 0.00 N ATOM 0 H GLN A 107 24.138 -5.207 -28.519 1.00 0.00 H new ATOM 0 HA GLN A 107 24.096 -6.801 -31.005 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.673 -5.782 -29.464 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.702 -6.980 -30.742 1.00 0.00 H new ATOM 0 HG2 GLN A 107 22.653 -7.335 -27.879 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.250 -8.071 -28.627 1.00 0.00 H new ATOM 0 HE21 GLN A 107 23.834 -9.147 -27.330 1.00 0.00 H new ATOM 0 HE22 GLN A 107 24.431 -10.320 -28.509 1.00 0.00 H new ATOM 1594 N SER A 108 22.555 -4.830 -32.170 1.00 0.00 N ATOM 1595 CA SER A 108 22.204 -3.668 -33.001 1.00 0.00 C ATOM 1596 C SER A 108 21.324 -2.674 -32.229 1.00 0.00 C ATOM 1597 O SER A 108 20.624 -3.047 -31.285 1.00 0.00 O ATOM 1598 CB SER A 108 21.523 -4.140 -34.292 1.00 0.00 C ATOM 1599 OG SER A 108 21.147 -3.036 -35.101 1.00 0.00 O ATOM 0 H SER A 108 22.045 -5.676 -32.424 1.00 0.00 H new ATOM 0 HA SER A 108 23.119 -3.139 -33.267 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.199 -4.789 -34.848 1.00 0.00 H new ATOM 0 HB3 SER A 108 20.642 -4.733 -34.047 1.00 0.00 H new ATOM 0 HG SER A 108 20.717 -3.361 -35.919 1.00 0.00 H new ATOM 1605 N LEU A 109 21.291 -1.409 -32.655 1.00 0.00 N ATOM 1606 CA LEU A 109 20.440 -0.388 -32.026 1.00 0.00 C ATOM 1607 C LEU A 109 18.946 -0.646 -32.275 1.00 0.00 C ATOM 1608 O LEU A 109 18.101 -0.250 -31.477 1.00 0.00 O ATOM 1609 CB LEU A 109 20.933 1.021 -32.403 1.00 0.00 C ATOM 1610 CG LEU A 109 22.436 1.256 -32.116 1.00 0.00 C ATOM 1611 CD1 LEU A 109 22.735 2.753 -32.170 1.00 0.00 C ATOM 1612 CD2 LEU A 109 22.911 0.720 -30.758 1.00 0.00 C ATOM 0 H LEU A 109 21.846 -1.063 -33.437 1.00 0.00 H new ATOM 0 HA LEU A 109 20.535 -0.457 -30.942 1.00 0.00 H new ATOM 0 HB2 LEU A 109 20.745 1.190 -33.463 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.348 1.759 -31.854 1.00 0.00 H new ATOM 0 HG LEU A 109 22.975 0.702 -32.884 1.00 0.00 H new ATOM 0 HD11 LEU A 109 23.793 2.920 -31.968 1.00 0.00 H new ATOM 0 HD12 LEU A 109 22.489 3.138 -33.160 1.00 0.00 H new ATOM 0 HD13 LEU A 109 22.136 3.271 -31.421 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.975 0.926 -30.637 1.00 0.00 H new ATOM 0 HD22 LEU A 109 22.354 1.209 -29.959 1.00 0.00 H new ATOM 0 HD23 LEU A 109 22.742 -0.356 -30.712 1.00 0.00 H new ATOM 1624 N GLU A 110 18.609 -1.434 -33.300 1.00 0.00 N ATOM 1625 CA GLU A 110 17.246 -1.943 -33.490 1.00 0.00 C ATOM 1626 C GLU A 110 16.870 -2.903 -32.341 1.00 0.00 C ATOM 1627 O GLU A 110 15.724 -2.910 -31.894 1.00 0.00 O ATOM 1628 CB GLU A 110 17.160 -2.626 -34.864 1.00 0.00 C ATOM 1629 CG GLU A 110 15.730 -3.048 -35.227 1.00 0.00 C ATOM 1630 CD GLU A 110 15.668 -3.619 -36.657 1.00 0.00 C ATOM 1631 OE1 GLU A 110 15.923 -4.835 -36.845 1.00 0.00 O ATOM 1632 OE2 GLU A 110 15.360 -2.860 -37.608 1.00 0.00 O ATOM 0 H GLU A 110 19.268 -1.736 -34.018 1.00 0.00 H new ATOM 0 HA GLU A 110 16.528 -1.123 -33.467 1.00 0.00 H new ATOM 0 HB2 GLU A 110 17.539 -1.946 -35.627 1.00 0.00 H new ATOM 0 HB3 GLU A 110 17.806 -3.504 -34.870 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.377 -3.796 -34.517 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.062 -2.190 -35.145 1.00 0.00 H new ATOM 1639 N VAL A 111 17.837 -3.640 -31.769 1.00 0.00 N ATOM 1640 CA VAL A 111 17.613 -4.508 -30.602 1.00 0.00 C ATOM 1641 C VAL A 111 17.421 -3.667 -29.341 1.00 0.00 C ATOM 1642 O VAL A 111 16.512 -3.963 -28.575 1.00 0.00 O ATOM 1643 CB VAL A 111 18.689 -5.600 -30.444 1.00 0.00 C ATOM 1644 CG1 VAL A 111 18.340 -6.574 -29.311 1.00 0.00 C ATOM 1645 CG2 VAL A 111 18.811 -6.428 -31.731 1.00 0.00 C ATOM 0 H VAL A 111 18.800 -3.650 -32.105 1.00 0.00 H new ATOM 0 HA VAL A 111 16.688 -5.059 -30.774 1.00 0.00 H new ATOM 0 HB VAL A 111 19.624 -5.086 -30.220 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.120 -7.330 -29.228 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.264 -6.027 -28.371 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.387 -7.058 -29.527 1.00 0.00 H new ATOM 0 HG21 VAL A 111 19.576 -7.194 -31.600 1.00 0.00 H new ATOM 0 HG22 VAL A 111 17.855 -6.904 -31.950 1.00 0.00 H new ATOM 0 HG23 VAL A 111 19.089 -5.775 -32.558 1.00 0.00 H new ATOM 1655 N PHE A 112 18.154 -2.561 -29.151 1.00 0.00 N ATOM 1656 CA PHE A 112 17.860 -1.586 -28.076 1.00 0.00 C ATOM 1657 C PHE A 112 16.411 -1.083 -28.175 1.00 0.00 C ATOM 1658 O PHE A 112 15.652 -1.159 -27.208 1.00 0.00 O ATOM 1659 CB PHE A 112 18.823 -0.386 -28.133 1.00 0.00 C ATOM 1660 CG PHE A 112 20.154 -0.571 -27.436 1.00 0.00 C ATOM 1661 CD1 PHE A 112 21.261 -1.099 -28.123 1.00 0.00 C ATOM 1662 CD2 PHE A 112 20.292 -0.175 -26.093 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.505 -1.203 -27.483 1.00 0.00 C ATOM 1664 CE2 PHE A 112 21.532 -0.293 -25.449 1.00 0.00 C ATOM 1665 CZ PHE A 112 22.643 -0.791 -26.148 1.00 0.00 C ATOM 0 H PHE A 112 18.959 -2.313 -29.727 1.00 0.00 H new ATOM 0 HA PHE A 112 17.996 -2.101 -27.125 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.013 -0.147 -29.179 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.323 0.478 -27.695 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.153 -1.426 -29.147 1.00 0.00 H new ATOM 0 HD2 PHE A 112 19.442 0.220 -25.557 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.356 -1.600 -28.017 1.00 0.00 H new ATOM 0 HE2 PHE A 112 21.632 -0.000 -24.414 1.00 0.00 H new ATOM 0 HZ PHE A 112 23.604 -0.857 -25.659 1.00 0.00 H new ATOM 1675 N ARG A 113 15.987 -0.662 -29.373 1.00 0.00 N ATOM 1676 CA ARG A 113 14.618 -0.176 -29.640 1.00 0.00 C ATOM 1677 C ARG A 113 13.541 -1.278 -29.587 1.00 0.00 C ATOM 1678 O ARG A 113 12.369 -0.967 -29.404 1.00 0.00 O ATOM 1679 CB ARG A 113 14.609 0.610 -30.969 1.00 0.00 C ATOM 1680 CG ARG A 113 15.447 1.903 -30.880 1.00 0.00 C ATOM 1681 CD ARG A 113 15.334 2.744 -32.159 1.00 0.00 C ATOM 1682 NE ARG A 113 15.878 4.109 -31.967 1.00 0.00 N ATOM 1683 CZ ARG A 113 16.769 4.751 -32.700 1.00 0.00 C ATOM 1684 NH1 ARG A 113 17.363 4.210 -33.729 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.073 5.979 -32.402 1.00 0.00 N ATOM 0 H ARG A 113 16.588 -0.647 -30.197 1.00 0.00 H new ATOM 0 HA ARG A 113 14.338 0.496 -28.829 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.000 -0.022 -31.767 1.00 0.00 H new ATOM 0 HB3 ARG A 113 13.582 0.861 -31.235 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.115 2.493 -30.026 1.00 0.00 H new ATOM 0 HG3 ARG A 113 16.492 1.648 -30.704 1.00 0.00 H new ATOM 0 HD2 ARG A 113 15.870 2.249 -32.969 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.289 2.808 -32.461 1.00 0.00 H new ATOM 0 HE ARG A 113 15.516 4.620 -31.162 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.145 3.250 -33.997 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.045 4.747 -34.265 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.625 6.437 -31.609 1.00 0.00 H new ATOM 0 HH22 ARG A 113 17.760 6.484 -32.961 1.00 0.00 H new ATOM 1699 N THR A 114 13.935 -2.553 -29.638 1.00 0.00 N ATOM 1700 CA THR A 114 13.073 -3.728 -29.402 1.00 0.00 C ATOM 1701 C THR A 114 12.989 -4.114 -27.919 1.00 0.00 C ATOM 1702 O THR A 114 11.919 -4.439 -27.407 1.00 0.00 O ATOM 1703 CB THR A 114 13.579 -4.930 -30.215 1.00 0.00 C ATOM 1704 OG1 THR A 114 13.684 -4.614 -31.587 1.00 0.00 O ATOM 1705 CG2 THR A 114 12.624 -6.120 -30.160 1.00 0.00 C ATOM 0 H THR A 114 14.898 -2.812 -29.852 1.00 0.00 H new ATOM 0 HA THR A 114 12.070 -3.450 -29.726 1.00 0.00 H new ATOM 0 HB THR A 114 14.543 -5.178 -29.770 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.507 -4.106 -31.744 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.031 -6.941 -30.751 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.504 -6.443 -29.126 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.655 -5.828 -30.564 1.00 0.00 H new ATOM 1713 N VAL A 115 14.102 -4.078 -27.181 1.00 0.00 N ATOM 1714 CA VAL A 115 14.177 -4.418 -25.744 1.00 0.00 C ATOM 1715 C VAL A 115 13.441 -3.396 -24.896 1.00 0.00 C ATOM 1716 O VAL A 115 12.708 -3.787 -23.993 1.00 0.00 O ATOM 1717 CB VAL A 115 15.643 -4.616 -25.304 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.761 -4.714 -23.777 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.200 -5.903 -25.910 1.00 0.00 C ATOM 0 H VAL A 115 15.004 -3.805 -27.571 1.00 0.00 H new ATOM 0 HA VAL A 115 13.668 -5.369 -25.587 1.00 0.00 H new ATOM 0 HB VAL A 115 16.208 -3.751 -25.652 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.806 -4.853 -23.501 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.385 -3.797 -23.323 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.176 -5.562 -23.420 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.235 -6.035 -25.595 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.606 -6.752 -25.571 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.157 -5.841 -26.997 1.00 0.00 H new ATOM 1729 N ARG A 116 13.543 -2.106 -25.212 1.00 0.00 N ATOM 1730 CA ARG A 116 12.928 -1.033 -24.408 1.00 0.00 C ATOM 1731 C ARG A 116 11.404 -1.163 -24.237 1.00 0.00 C ATOM 1732 O ARG A 116 10.899 -1.053 -23.128 1.00 0.00 O ATOM 1733 CB ARG A 116 13.385 0.308 -25.006 1.00 0.00 C ATOM 1734 CG ARG A 116 12.686 0.696 -26.311 1.00 0.00 C ATOM 1735 CD ARG A 116 13.248 2.021 -26.832 1.00 0.00 C ATOM 1736 NE ARG A 116 12.522 2.450 -28.045 1.00 0.00 N ATOM 1737 CZ ARG A 116 12.799 3.502 -28.792 1.00 0.00 C ATOM 1738 NH1 ARG A 116 13.784 4.295 -28.511 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.112 3.766 -29.861 1.00 0.00 N ATOM 0 H ARG A 116 14.051 -1.768 -26.029 1.00 0.00 H new ATOM 0 HA ARG A 116 13.274 -1.108 -23.377 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.216 1.095 -24.271 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.459 0.264 -25.184 1.00 0.00 H new ATOM 0 HG2 ARG A 116 12.828 -0.087 -27.056 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.613 0.787 -26.145 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.164 2.787 -26.061 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.309 1.910 -27.056 1.00 0.00 H new ATOM 0 HE ARG A 116 11.729 1.877 -28.333 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.368 4.113 -27.695 1.00 0.00 H new ATOM 0 HH12 ARG A 116 13.975 5.101 -29.106 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.343 3.156 -30.137 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.341 4.584 -30.426 1.00 0.00 H new ATOM 1753 N GLY A 117 10.689 -1.518 -25.307 1.00 0.00 N ATOM 1754 CA GLY A 117 9.237 -1.754 -25.277 1.00 0.00 C ATOM 1755 C GLY A 117 8.871 -3.039 -24.533 1.00 0.00 C ATOM 1756 O GLY A 117 7.880 -3.080 -23.809 1.00 0.00 O ATOM 0 H GLY A 117 11.103 -1.652 -26.230 1.00 0.00 H new ATOM 0 HA2 GLY A 117 8.744 -0.908 -24.799 1.00 0.00 H new ATOM 0 HA3 GLY A 117 8.859 -1.808 -26.298 1.00 0.00 H new ATOM 1760 N GLN A 118 9.734 -4.060 -24.599 1.00 0.00 N ATOM 1761 CA GLN A 118 9.572 -5.300 -23.834 1.00 0.00 C ATOM 1762 C GLN A 118 9.781 -5.076 -22.332 1.00 0.00 C ATOM 1763 O GLN A 118 9.026 -5.617 -21.530 1.00 0.00 O ATOM 1764 CB GLN A 118 10.511 -6.383 -24.371 1.00 0.00 C ATOM 1765 CG GLN A 118 10.101 -6.883 -25.762 1.00 0.00 C ATOM 1766 CD GLN A 118 11.178 -7.819 -26.291 1.00 0.00 C ATOM 1767 OE1 GLN A 118 11.051 -9.033 -26.295 1.00 0.00 O ATOM 1768 NE2 GLN A 118 12.285 -7.259 -26.716 1.00 0.00 N ATOM 0 H GLN A 118 10.567 -4.048 -25.187 1.00 0.00 H new ATOM 0 HA GLN A 118 8.544 -5.640 -23.962 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.526 -5.989 -24.415 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.525 -7.223 -23.677 1.00 0.00 H new ATOM 0 HG2 GLN A 118 9.144 -7.403 -25.708 1.00 0.00 H new ATOM 0 HG3 GLN A 118 9.968 -6.040 -26.441 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.379 -6.243 -26.708 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.052 -7.839 -27.055 1.00 0.00 H new ATOM 1777 N VAL A 119 10.749 -4.241 -21.948 1.00 0.00 N ATOM 1778 CA VAL A 119 10.912 -3.768 -20.554 1.00 0.00 C ATOM 1779 C VAL A 119 9.688 -2.965 -20.118 1.00 0.00 C ATOM 1780 O VAL A 119 9.114 -3.274 -19.081 1.00 0.00 O ATOM 1781 CB VAL A 119 12.209 -2.945 -20.400 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.355 -2.315 -19.009 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.445 -3.824 -20.606 1.00 0.00 C ATOM 0 H VAL A 119 11.448 -3.868 -22.590 1.00 0.00 H new ATOM 0 HA VAL A 119 10.996 -4.637 -19.901 1.00 0.00 H new ATOM 0 HB VAL A 119 12.139 -2.162 -21.155 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.285 -1.749 -18.962 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.514 -1.647 -18.822 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.369 -3.101 -18.253 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.345 -3.219 -20.492 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.450 -4.624 -19.866 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.422 -4.255 -21.607 1.00 0.00 H new ATOM 1793 N LYS A 120 9.233 -1.991 -20.920 1.00 0.00 N ATOM 1794 CA LYS A 120 8.053 -1.142 -20.641 1.00 0.00 C ATOM 1795 C LYS A 120 6.782 -1.954 -20.422 1.00 0.00 C ATOM 1796 O LYS A 120 6.131 -1.739 -19.417 1.00 0.00 O ATOM 1797 CB LYS A 120 7.922 -0.118 -21.786 1.00 0.00 C ATOM 1798 CG LYS A 120 6.822 0.935 -21.570 1.00 0.00 C ATOM 1799 CD LYS A 120 5.482 0.616 -22.257 1.00 0.00 C ATOM 1800 CE LYS A 120 4.558 1.837 -22.132 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.212 1.583 -22.716 1.00 0.00 N ATOM 0 H LYS A 120 9.684 -1.762 -21.806 1.00 0.00 H new ATOM 0 HA LYS A 120 8.199 -0.613 -19.699 1.00 0.00 H new ATOM 0 HB2 LYS A 120 8.877 0.392 -21.913 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.720 -0.652 -22.714 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.649 1.045 -20.500 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.182 1.897 -21.935 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.645 0.372 -23.307 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.019 -0.256 -21.795 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.452 2.105 -21.081 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.015 2.690 -22.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 2.650 2.458 -22.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.315 1.271 -23.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.729 0.843 -22.167 1.00 0.00 H new ATOM 1815 N GLU A 121 6.440 -2.923 -21.266 1.00 0.00 N ATOM 1816 CA GLU A 121 5.224 -3.741 -21.043 1.00 0.00 C ATOM 1817 C GLU A 121 5.352 -4.656 -19.810 1.00 0.00 C ATOM 1818 O GLU A 121 4.363 -4.953 -19.134 1.00 0.00 O ATOM 1819 CB GLU A 121 4.845 -4.518 -22.316 1.00 0.00 C ATOM 1820 CG GLU A 121 5.791 -5.681 -22.648 1.00 0.00 C ATOM 1821 CD GLU A 121 5.486 -6.406 -23.981 1.00 0.00 C ATOM 1822 OE1 GLU A 121 4.454 -6.132 -24.642 1.00 0.00 O ATOM 1823 OE2 GLU A 121 6.294 -7.291 -24.359 1.00 0.00 O ATOM 0 H GLU A 121 6.970 -3.169 -22.102 1.00 0.00 H new ATOM 0 HA GLU A 121 4.404 -3.058 -20.821 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.834 -4.908 -22.203 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.827 -3.827 -23.159 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.812 -5.302 -22.683 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.748 -6.408 -21.837 1.00 0.00 H new ATOM 1830 N ARG A 122 6.584 -5.055 -19.464 1.00 0.00 N ATOM 1831 CA ARG A 122 6.886 -5.833 -18.251 1.00 0.00 C ATOM 1832 C ARG A 122 6.737 -4.985 -16.988 1.00 0.00 C ATOM 1833 O ARG A 122 5.959 -5.368 -16.118 1.00 0.00 O ATOM 1834 CB ARG A 122 8.235 -6.557 -18.417 1.00 0.00 C ATOM 1835 CG ARG A 122 8.038 -7.776 -19.336 1.00 0.00 C ATOM 1836 CD ARG A 122 9.341 -8.357 -19.904 1.00 0.00 C ATOM 1837 NE ARG A 122 9.055 -9.435 -20.882 1.00 0.00 N ATOM 1838 CZ ARG A 122 8.474 -9.316 -22.069 1.00 0.00 C ATOM 1839 NH1 ARG A 122 8.152 -8.155 -22.554 1.00 0.00 N ATOM 1840 NH2 ARG A 122 8.188 -10.358 -22.787 1.00 0.00 N ATOM 0 H ARG A 122 7.410 -4.845 -20.024 1.00 0.00 H new ATOM 0 HA ARG A 122 6.147 -6.623 -18.115 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.976 -5.880 -18.843 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.614 -6.875 -17.446 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.519 -8.556 -18.779 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.390 -7.491 -20.165 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.917 -7.567 -20.385 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.954 -8.749 -19.092 1.00 0.00 H new ATOM 0 HE ARG A 122 9.338 -10.377 -20.611 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.345 -7.308 -22.020 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.706 -8.090 -23.469 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.410 -11.292 -22.442 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.741 -10.243 -23.697 1.00 0.00 H new ATOM 1854 N VAL A 123 7.345 -3.795 -16.921 1.00 0.00 N ATOM 1855 CA VAL A 123 7.070 -2.837 -15.830 1.00 0.00 C ATOM 1856 C VAL A 123 5.597 -2.416 -15.773 1.00 0.00 C ATOM 1857 O VAL A 123 5.027 -2.424 -14.691 1.00 0.00 O ATOM 1858 CB VAL A 123 8.022 -1.625 -15.841 1.00 0.00 C ATOM 1859 CG1 VAL A 123 9.474 -2.056 -15.611 1.00 0.00 C ATOM 1860 CG2 VAL A 123 8.002 -0.741 -17.068 1.00 0.00 C ATOM 0 H VAL A 123 8.029 -3.468 -17.604 1.00 0.00 H new ATOM 0 HA VAL A 123 7.275 -3.376 -14.905 1.00 0.00 H new ATOM 0 HB VAL A 123 7.626 -1.021 -15.024 1.00 0.00 H new ATOM 0 HG11 VAL A 123 10.120 -1.179 -15.624 1.00 0.00 H new ATOM 0 HG12 VAL A 123 9.557 -2.553 -14.645 1.00 0.00 H new ATOM 0 HG13 VAL A 123 9.779 -2.743 -16.400 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.718 0.071 -16.943 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.271 -1.330 -17.945 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.003 -0.327 -17.202 1.00 0.00 H new ATOM 1870 N GLU A 124 4.939 -2.124 -16.897 1.00 0.00 N ATOM 1871 CA GLU A 124 3.562 -1.652 -16.918 1.00 0.00 C ATOM 1872 C GLU A 124 2.581 -2.694 -16.381 1.00 0.00 C ATOM 1873 O GLU A 124 1.822 -2.387 -15.464 1.00 0.00 O ATOM 1874 CB GLU A 124 3.203 -1.256 -18.358 1.00 0.00 C ATOM 1875 CG GLU A 124 2.036 -0.285 -18.377 1.00 0.00 C ATOM 1876 CD GLU A 124 1.332 -0.268 -19.747 1.00 0.00 C ATOM 1877 OE1 GLU A 124 1.967 0.116 -20.758 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.134 -0.635 -19.822 1.00 0.00 O ATOM 0 H GLU A 124 5.355 -2.211 -17.824 1.00 0.00 H new ATOM 0 HA GLU A 124 3.481 -0.788 -16.258 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.068 -0.801 -18.841 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.949 -2.147 -18.932 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.320 -0.561 -17.603 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.392 0.717 -18.138 1.00 0.00 H new ATOM 1885 N ASN A 125 2.618 -3.934 -16.889 1.00 0.00 N ATOM 1886 CA ASN A 125 1.672 -4.960 -16.436 1.00 0.00 C ATOM 1887 C ASN A 125 1.940 -5.379 -14.977 1.00 0.00 C ATOM 1888 O ASN A 125 0.994 -5.640 -14.238 1.00 0.00 O ATOM 1889 CB ASN A 125 1.602 -6.138 -17.431 1.00 0.00 C ATOM 1890 CG ASN A 125 2.498 -7.308 -17.057 1.00 0.00 C ATOM 1891 OD1 ASN A 125 2.104 -8.230 -16.360 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.740 -7.282 -17.465 1.00 0.00 N ATOM 0 H ASN A 125 3.280 -4.246 -17.600 1.00 0.00 H new ATOM 0 HA ASN A 125 0.672 -4.526 -16.427 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.571 -6.487 -17.495 1.00 0.00 H new ATOM 0 HB3 ASN A 125 1.880 -5.781 -18.423 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.379 -8.032 -17.201 1.00 0.00 H new ATOM 0 HD22 ASN A 125 4.070 -6.512 -18.047 1.00 0.00 H new ATOM 1899 N LEU A 126 3.211 -5.364 -14.539 1.00 0.00 N ATOM 1900 CA LEU A 126 3.580 -5.575 -13.136 1.00 0.00 C ATOM 1901 C LEU A 126 3.040 -4.459 -12.247 1.00 0.00 C ATOM 1902 O LEU A 126 2.443 -4.742 -11.217 1.00 0.00 O ATOM 1903 CB LEU A 126 5.111 -5.731 -13.040 1.00 0.00 C ATOM 1904 CG LEU A 126 5.736 -5.993 -11.652 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.925 -4.737 -10.799 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.963 -7.035 -10.840 1.00 0.00 C ATOM 0 H LEU A 126 4.010 -5.205 -15.153 1.00 0.00 H new ATOM 0 HA LEU A 126 3.121 -6.492 -12.766 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.403 -6.551 -13.696 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.563 -4.824 -13.442 1.00 0.00 H new ATOM 0 HG LEU A 126 6.726 -6.383 -11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.369 -5.011 -9.842 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.583 -4.040 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.958 -4.264 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.449 -7.177 -9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.941 -6.690 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.948 -7.981 -11.382 1.00 0.00 H new ATOM 1918 N ILE A 127 3.223 -3.194 -12.619 1.00 0.00 N ATOM 1919 CA ILE A 127 2.824 -2.081 -11.749 1.00 0.00 C ATOM 1920 C ILE A 127 1.295 -1.934 -11.720 1.00 0.00 C ATOM 1921 O ILE A 127 0.706 -1.811 -10.647 1.00 0.00 O ATOM 1922 CB ILE A 127 3.558 -0.800 -12.178 1.00 0.00 C ATOM 1923 CG1 ILE A 127 5.078 -0.955 -11.927 1.00 0.00 C ATOM 1924 CG2 ILE A 127 3.022 0.437 -11.435 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.945 0.023 -12.729 1.00 0.00 C ATOM 0 H ILE A 127 3.640 -2.912 -13.506 1.00 0.00 H new ATOM 0 HA ILE A 127 3.121 -2.287 -10.721 1.00 0.00 H new ATOM 0 HB ILE A 127 3.378 -0.651 -13.243 1.00 0.00 H new ATOM 0 HG12 ILE A 127 5.277 -0.814 -10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.375 -1.974 -12.174 1.00 0.00 H new ATOM 0 HG21 ILE A 127 3.565 1.323 -11.764 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.961 0.560 -11.652 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.160 0.305 -10.362 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.996 -0.149 -12.498 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.778 -0.132 -13.795 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.678 1.046 -12.465 1.00 0.00 H new ATOM 1937 N ALA A 128 0.634 -2.020 -12.877 1.00 0.00 N ATOM 1938 CA ALA A 128 -0.811 -1.827 -12.992 1.00 0.00 C ATOM 1939 C ALA A 128 -1.644 -2.918 -12.290 1.00 0.00 C ATOM 1940 O ALA A 128 -2.767 -2.644 -11.860 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.166 -1.720 -14.481 1.00 0.00 C ATOM 0 H ALA A 128 1.091 -2.227 -13.765 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.070 -0.906 -12.470 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.241 -1.576 -14.589 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.640 -0.873 -14.920 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.870 -2.636 -14.992 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.097 -4.135 -12.126 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.742 -5.214 -11.355 1.00 0.00 C ATOM 1949 C LYS A 129 -1.564 -5.085 -9.835 1.00 0.00 C ATOM 1950 O LYS A 129 -2.313 -5.733 -9.102 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.353 -6.609 -11.892 1.00 0.00 C ATOM 1952 CG LYS A 129 0.031 -7.106 -11.454 1.00 0.00 C ATOM 1953 CD LYS A 129 0.352 -8.474 -12.066 1.00 0.00 C ATOM 1954 CE LYS A 129 1.742 -8.948 -11.613 1.00 0.00 C ATOM 1955 NZ LYS A 129 1.981 -10.368 -12.002 1.00 0.00 N ATOM 0 H LYS A 129 -0.196 -4.399 -12.524 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.814 -5.098 -11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -2.102 -7.330 -11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.387 -6.586 -12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.791 -6.384 -11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.068 -7.174 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.403 -9.200 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.319 -8.410 -13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.508 -8.313 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.830 -8.845 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.986 -10.600 -11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.400 -10.993 -11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.723 -10.503 -13.001 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.606 -4.270 -9.357 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.324 -4.122 -7.909 1.00 0.00 C ATOM 1971 C ILE A 130 -0.780 -2.782 -7.304 1.00 0.00 C ATOM 1972 O ILE A 130 -1.061 -2.741 -6.102 1.00 0.00 O ATOM 1973 CB ILE A 130 1.145 -4.450 -7.555 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.143 -3.370 -8.025 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.521 -5.837 -8.103 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.584 -3.584 -7.541 1.00 0.00 C ATOM 0 H ILE A 130 -0.008 -3.698 -9.954 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.949 -4.876 -7.430 1.00 0.00 H new ATOM 0 HB ILE A 130 1.217 -4.462 -6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.140 -3.339 -9.115 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.797 -2.397 -7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.557 -6.060 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.869 -6.591 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.403 -5.844 -9.187 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.217 -2.780 -7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.606 -3.584 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.954 -4.540 -7.911 1.00 0.00 H new ATOM 1988 N SER A 131 -0.867 -1.715 -8.110 1.00 0.00 N ATOM 1989 CA SER A 131 -1.283 -0.363 -7.691 1.00 0.00 C ATOM 1990 C SER A 131 -2.224 0.293 -8.712 1.00 0.00 C ATOM 1991 O SER A 131 -1.746 0.916 -9.691 1.00 0.00 O ATOM 1992 CB SER A 131 -0.064 0.516 -7.425 1.00 0.00 C ATOM 1993 OG SER A 131 0.550 0.137 -6.199 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.457 0.196 -8.518 1.00 0.00 O ATOM 0 H SER A 131 -0.643 -1.767 -9.104 1.00 0.00 H new ATOM 0 HA SER A 131 -1.844 -0.467 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.649 0.420 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.363 1.563 -7.383 1.00 0.00 H new ATOM 0 HG SER A 131 1.169 0.840 -5.912 1.00 0.00 H new TER 2000 SER A 131