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+ 172:sc= 2.04 (180deg=0.723) USER MOD Set 1.2: A 34 SER OG : rot -79:sc= 1.17 USER MOD Set 1.3: A 60 GLN : amide:sc= -0.101 K(o=4.3,f=-7.4!) USER MOD Set 1.4: A 61 THR OG1 : rot 156:sc= 1.24 USER MOD Set 2.1: A 11 ASN : amide:sc= -1.53 K(o=-2.9,f=-0.24) USER MOD Set 2.2: A 43 HIS : no HD1:sc= -1.74 K(o=-2.9,f=-1) USER MOD Set 2.3: A 45 THR OG1 : rot 114:sc= 0.401 USER MOD Set 3.1: A 5 MET CE :methyl 138:sc= 0 (180deg=-1.38) USER MOD Set 3.2: A 35 CYS SG : rot -122:sc= 0.715 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0612 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -115:sc= 0.631 (180deg=-0.044) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.22) USER MOD Single : A 8 CYS SG : rot 5:sc= -0.577 USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= 1.22 (180deg=0.805) USER MOD Single : A 12 SER OG : rot 130:sc= -0.235 USER MOD Single : A 13 CYS SG : rot 174:sc= -0.681 USER MOD Single : A 15 SER OG : rot -120:sc= -0.196 USER MOD Single : A 16 GLN : amide:sc= 0.226 K(o=0.23,f=-0.38) USER MOD Single : A 17 MET CE :methyl -173:sc= -2.14 (180deg=-2.23) USER MOD Single : A 24 THR OG1 : rot 102:sc= 0.582 USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0.931) USER MOD Single : A 33 THR OG1 : rot 66:sc= 1.04 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 71:sc= 1.23 USER MOD Single : A 49 MET CE :methyl 157:sc= -1.27 (180deg=-2.62) USER MOD Single : A 50 MET CE :methyl -112:sc= -0.0797 (180deg=-2.54!) USER MOD Single : A 58 SER OG : rot -94:sc= 1.22 USER MOD Single : A 62 SER OG : rot -7:sc= 0.788 USER MOD Single : A 67 ASN : amide:sc= 0.0493 K(o=0.049,f=-0.76) USER MOD Single : A 69 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.016) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 104:sc= 1.18 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.591 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc=-0.00842 X(o=-0.0084,f=-0.42) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 93 GLN : amide:sc= 0.545 K(o=0.54,f=-2.7) USER MOD Single : A 100 GLN : amide:sc= 0.508 K(o=0.51,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.24) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00141 USER MOD Single : A 114 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 120 LYS NZ :NH3+ 165:sc= 2.52 (180deg=2.4) USER MOD Single : A 125 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0.955) USER MOD Single : A 131 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.045 -1.425 0.903 1.00 0.00 N ATOM 2 CA MET A 1 1.986 -0.768 -0.060 1.00 0.00 C ATOM 3 C MET A 1 3.120 -1.749 -0.438 1.00 0.00 C ATOM 4 O MET A 1 3.233 -2.799 0.193 1.00 0.00 O ATOM 5 CB MET A 1 2.500 0.576 0.527 1.00 0.00 C ATOM 6 CG MET A 1 2.429 1.748 -0.463 1.00 0.00 C ATOM 7 SD MET A 1 0.773 2.199 -1.051 1.00 0.00 S ATOM 8 CE MET A 1 1.195 3.679 -2.018 1.00 0.00 C ATOM 0 H1 MET A 1 0.064 -1.248 0.605 1.00 0.00 H new ATOM 0 H2 MET A 1 1.223 -2.450 0.918 1.00 0.00 H new ATOM 0 H3 MET A 1 1.193 -1.034 1.855 1.00 0.00 H new ATOM 0 HA MET A 1 1.466 -0.520 -0.985 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.914 0.824 1.412 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.532 0.449 0.853 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.875 2.623 0.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.045 1.504 -1.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.290 4.096 -2.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.656 4.421 -1.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.893 3.409 -2.810 1.00 0.00 H new ATOM 18 N LYS A 2 3.973 -1.458 -1.444 1.00 0.00 N ATOM 19 CA LYS A 2 5.065 -2.380 -1.811 1.00 0.00 C ATOM 20 C LYS A 2 6.023 -2.461 -0.638 1.00 0.00 C ATOM 21 O LYS A 2 6.407 -1.421 -0.103 1.00 0.00 O ATOM 22 CB LYS A 2 5.779 -1.998 -3.129 1.00 0.00 C ATOM 23 CG LYS A 2 6.055 -0.517 -3.312 1.00 0.00 C ATOM 24 CD LYS A 2 5.213 0.096 -4.445 1.00 0.00 C ATOM 25 CE LYS A 2 5.125 1.616 -4.258 1.00 0.00 C ATOM 26 NZ LYS A 2 4.328 2.274 -5.336 1.00 0.00 N ATOM 0 H LYS A 2 3.928 -0.608 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 2 4.641 -3.363 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.726 -2.536 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.171 -2.343 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.844 0.008 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.113 -0.370 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.661 -0.136 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.213 -0.339 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.674 1.835 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.130 2.037 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.946 2.898 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.919 1.548 -5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.564 2.835 -4.909 1.00 0.00 H new ATOM 40 N LYS A 3 6.356 -3.665 -0.190 1.00 0.00 N ATOM 41 CA LYS A 3 7.150 -3.848 1.016 1.00 0.00 C ATOM 42 C LYS A 3 8.600 -3.988 0.601 1.00 0.00 C ATOM 43 O LYS A 3 8.879 -4.644 -0.404 1.00 0.00 O ATOM 44 CB LYS A 3 6.678 -5.053 1.849 1.00 0.00 C ATOM 45 CG LYS A 3 5.158 -5.275 1.892 1.00 0.00 C ATOM 46 CD LYS A 3 4.735 -6.483 2.743 1.00 0.00 C ATOM 47 CE LYS A 3 5.252 -6.448 4.190 1.00 0.00 C ATOM 48 NZ LYS A 3 4.612 -7.493 5.034 1.00 0.00 N ATOM 0 H LYS A 3 6.085 -4.535 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 3 7.028 -2.981 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.148 -5.953 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.038 -4.930 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.680 -4.378 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.791 -5.411 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.647 -6.538 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.093 -7.394 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.333 -6.591 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.059 -5.465 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.104 -7.550 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.614 -7.248 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.671 -8.413 4.552 1.00 0.00 H new ATOM 62 N VAL A 4 9.493 -3.432 1.404 1.00 0.00 N ATOM 63 CA VAL A 4 10.926 -3.445 1.163 1.00 0.00 C ATOM 64 C VAL A 4 11.611 -4.110 2.345 1.00 0.00 C ATOM 65 O VAL A 4 11.129 -4.051 3.479 1.00 0.00 O ATOM 66 CB VAL A 4 11.482 -2.030 0.910 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.922 -2.099 0.368 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.601 -1.229 -0.070 1.00 0.00 C ATOM 0 H VAL A 4 9.234 -2.947 2.263 1.00 0.00 H new ATOM 0 HA VAL A 4 11.129 -4.014 0.256 1.00 0.00 H new ATOM 0 HB VAL A 4 11.479 -1.513 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.295 -1.089 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.560 -2.603 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.931 -2.654 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.031 -0.238 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.553 -1.751 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.596 -1.131 0.341 1.00 0.00 H new ATOM 78 N MET A 5 12.772 -4.691 2.079 1.00 0.00 N ATOM 79 CA MET A 5 13.623 -5.360 3.027 1.00 0.00 C ATOM 80 C MET A 5 15.001 -4.773 2.843 1.00 0.00 C ATOM 81 O MET A 5 15.453 -4.630 1.706 1.00 0.00 O ATOM 82 CB MET A 5 13.693 -6.841 2.666 1.00 0.00 C ATOM 83 CG MET A 5 12.750 -7.696 3.490 1.00 0.00 C ATOM 84 SD MET A 5 13.321 -7.893 5.190 1.00 0.00 S ATOM 85 CE MET A 5 12.037 -9.052 5.710 1.00 0.00 C ATOM 0 H MET A 5 13.160 -4.703 1.136 1.00 0.00 H new ATOM 0 HA MET A 5 13.255 -5.243 4.046 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.456 -6.963 1.609 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.714 -7.196 2.807 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.759 -7.243 3.491 1.00 0.00 H new ATOM 0 HG3 MET A 5 12.652 -8.677 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 5 12.482 -9.839 6.319 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.284 -8.523 6.294 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.569 -9.495 4.831 1.00 0.00 H new ATOM 95 N PHE A 6 15.670 -4.537 3.961 1.00 0.00 N ATOM 96 CA PHE A 6 17.064 -4.168 4.013 1.00 0.00 C ATOM 97 C PHE A 6 17.730 -5.274 4.822 1.00 0.00 C ATOM 98 O PHE A 6 17.594 -5.332 6.043 1.00 0.00 O ATOM 99 CB PHE A 6 17.209 -2.774 4.600 1.00 0.00 C ATOM 100 CG PHE A 6 16.517 -1.744 3.735 1.00 0.00 C ATOM 101 CD1 PHE A 6 17.143 -1.244 2.579 1.00 0.00 C ATOM 102 CD2 PHE A 6 15.176 -1.422 3.996 1.00 0.00 C ATOM 103 CE1 PHE A 6 16.427 -0.417 1.698 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.451 -0.642 3.088 1.00 0.00 C ATOM 105 CZ PHE A 6 15.081 -0.105 1.956 1.00 0.00 C ATOM 0 H PHE A 6 15.238 -4.601 4.883 1.00 0.00 H new ATOM 0 HA PHE A 6 17.544 -4.097 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.786 -2.753 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.266 -2.524 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 6 18.172 -1.495 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.703 -1.777 4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.912 -0.019 0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.402 -0.453 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.536 0.544 1.287 1.00 0.00 H new ATOM 115 N VAL A 7 18.369 -6.211 4.135 1.00 0.00 N ATOM 116 CA VAL A 7 18.842 -7.447 4.757 1.00 0.00 C ATOM 117 C VAL A 7 20.202 -7.201 5.390 1.00 0.00 C ATOM 118 O VAL A 7 21.159 -6.849 4.695 1.00 0.00 O ATOM 119 CB VAL A 7 18.846 -8.626 3.769 1.00 0.00 C ATOM 120 CG1 VAL A 7 18.869 -9.958 4.522 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.616 -8.611 2.844 1.00 0.00 C ATOM 0 H VAL A 7 18.575 -6.140 3.138 1.00 0.00 H new ATOM 0 HA VAL A 7 18.148 -7.738 5.545 1.00 0.00 H new ATOM 0 HB VAL A 7 19.744 -8.518 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 7 18.872 -10.780 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.766 -10.011 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 7 17.986 -10.032 5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.662 -9.462 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.708 -8.675 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.605 -7.686 2.268 1.00 0.00 H new ATOM 131 N CYS A 8 20.273 -7.339 6.708 1.00 0.00 N ATOM 132 CA CYS A 8 21.436 -6.979 7.487 1.00 0.00 C ATOM 133 C CYS A 8 22.501 -8.082 7.488 1.00 0.00 C ATOM 134 O CYS A 8 22.260 -9.220 7.077 1.00 0.00 O ATOM 135 CB CYS A 8 21.013 -6.625 8.926 1.00 0.00 C ATOM 136 SG CYS A 8 19.468 -5.666 9.021 1.00 0.00 S ATOM 0 H CYS A 8 19.507 -7.711 7.269 1.00 0.00 H new ATOM 0 HA CYS A 8 21.891 -6.106 7.019 1.00 0.00 H new ATOM 0 HB2 CYS A 8 20.894 -7.546 9.497 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.813 -6.056 9.401 1.00 0.00 H new ATOM 0 HG CYS A 8 18.958 -5.546 7.831 1.00 0.00 H new ATOM 142 N LYS A 9 23.694 -7.707 7.966 1.00 0.00 N ATOM 143 CA LYS A 9 24.832 -8.564 8.295 1.00 0.00 C ATOM 144 C LYS A 9 25.693 -7.751 9.261 1.00 0.00 C ATOM 145 O LYS A 9 25.503 -6.537 9.382 1.00 0.00 O ATOM 146 CB LYS A 9 25.641 -8.986 7.041 1.00 0.00 C ATOM 147 CG LYS A 9 25.296 -10.415 6.566 1.00 0.00 C ATOM 148 CD LYS A 9 26.388 -11.090 5.711 1.00 0.00 C ATOM 149 CE LYS A 9 27.741 -11.352 6.408 1.00 0.00 C ATOM 150 NZ LYS A 9 27.646 -12.289 7.563 1.00 0.00 N ATOM 0 H LYS A 9 23.901 -6.724 8.145 1.00 0.00 H new ATOM 0 HA LYS A 9 24.493 -9.500 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.446 -8.281 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.706 -8.928 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.101 -11.037 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.372 -10.378 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.999 -12.042 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.570 -10.467 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.443 -11.757 5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.152 -10.403 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.583 -12.697 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 27.312 -11.773 8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.977 -13.052 7.337 1.00 0.00 H new ATOM 164 N ARG A 10 26.704 -8.371 9.864 1.00 0.00 N ATOM 165 CA ARG A 10 27.650 -7.711 10.770 1.00 0.00 C ATOM 166 C ARG A 10 26.855 -7.024 11.887 1.00 0.00 C ATOM 167 O ARG A 10 25.831 -7.554 12.320 1.00 0.00 O ATOM 168 CB ARG A 10 28.644 -6.855 9.918 1.00 0.00 C ATOM 169 CG ARG A 10 30.133 -7.166 10.164 1.00 0.00 C ATOM 170 CD ARG A 10 30.741 -6.480 11.395 1.00 0.00 C ATOM 171 NE ARG A 10 31.942 -7.193 11.866 1.00 0.00 N ATOM 172 CZ ARG A 10 33.182 -7.127 11.368 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.469 -6.349 10.332 1.00 0.00 N ATOM 174 NH2 ARG A 10 34.145 -7.864 11.914 1.00 0.00 N ATOM 0 H ARG A 10 26.895 -9.365 9.737 1.00 0.00 H new ATOM 0 HA ARG A 10 28.308 -8.391 11.311 1.00 0.00 H new ATOM 0 HB2 ARG A 10 28.424 -7.011 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.467 -5.800 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.251 -8.244 10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.702 -6.869 9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.000 -5.450 11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.001 -6.441 12.195 1.00 0.00 H new ATOM 0 HE ARG A 10 31.812 -7.811 12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.737 -5.786 9.899 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.421 -6.314 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.935 -8.473 12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 10 35.094 -7.821 11.542 1.00 0.00 H new ATOM 188 N ASN A 11 27.286 -5.851 12.361 1.00 0.00 N ATOM 189 CA ASN A 11 26.602 -5.126 13.440 1.00 0.00 C ATOM 190 C ASN A 11 25.275 -4.492 12.974 1.00 0.00 C ATOM 191 O ASN A 11 24.619 -3.811 13.752 1.00 0.00 O ATOM 192 CB ASN A 11 27.564 -4.081 14.031 1.00 0.00 C ATOM 193 CG ASN A 11 27.134 -3.544 15.402 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.420 -4.185 16.171 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.627 -2.373 15.762 1.00 0.00 N ATOM 0 H ASN A 11 28.118 -5.377 12.009 1.00 0.00 H new ATOM 0 HA ASN A 11 26.327 -5.838 14.218 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.556 -4.524 14.120 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.650 -3.246 13.335 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.416 -1.993 16.685 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.218 -1.849 15.117 1.00 0.00 H new ATOM 202 N SER A 12 24.877 -4.688 11.701 1.00 0.00 N ATOM 203 CA SER A 12 23.566 -4.347 11.139 1.00 0.00 C ATOM 204 C SER A 12 23.227 -2.855 11.079 1.00 0.00 C ATOM 205 O SER A 12 22.185 -2.504 10.536 1.00 0.00 O ATOM 206 CB SER A 12 22.481 -5.172 11.849 1.00 0.00 C ATOM 207 OG SER A 12 22.771 -6.556 11.701 1.00 0.00 O ATOM 0 H SER A 12 25.495 -5.109 11.008 1.00 0.00 H new ATOM 0 HA SER A 12 23.610 -4.616 10.084 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.441 -4.908 12.906 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.502 -4.947 11.427 1.00 0.00 H new ATOM 0 HG SER A 12 22.732 -6.994 12.577 1.00 0.00 H new ATOM 213 N CYS A 13 24.092 -1.956 11.551 1.00 0.00 N ATOM 214 CA CYS A 13 23.811 -0.524 11.599 1.00 0.00 C ATOM 215 C CYS A 13 23.516 0.040 10.206 1.00 0.00 C ATOM 216 O CYS A 13 22.507 0.710 10.044 1.00 0.00 O ATOM 217 CB CYS A 13 24.953 0.196 12.343 1.00 0.00 C ATOM 218 SG CYS A 13 26.592 -0.470 11.910 1.00 0.00 S ATOM 0 H CYS A 13 25.013 -2.205 11.913 1.00 0.00 H new ATOM 0 HA CYS A 13 22.898 -0.345 12.166 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.922 1.260 12.108 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.798 0.103 13.418 1.00 0.00 H new ATOM 0 HG CYS A 13 27.516 0.252 12.472 1.00 0.00 H new ATOM 224 N ARG A 14 24.311 -0.292 9.180 1.00 0.00 N ATOM 225 CA ARG A 14 24.083 0.188 7.795 1.00 0.00 C ATOM 226 C ARG A 14 22.708 -0.206 7.242 1.00 0.00 C ATOM 227 O ARG A 14 22.082 0.557 6.518 1.00 0.00 O ATOM 228 CB ARG A 14 25.240 -0.256 6.854 1.00 0.00 C ATOM 229 CG ARG A 14 25.541 -1.772 6.834 1.00 0.00 C ATOM 230 CD ARG A 14 26.684 -2.169 5.887 1.00 0.00 C ATOM 231 NE ARG A 14 26.975 -3.619 6.014 1.00 0.00 N ATOM 232 CZ ARG A 14 27.684 -4.373 5.154 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.213 -3.836 4.066 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.875 -5.664 5.405 1.00 0.00 N ATOM 0 H ARG A 14 25.127 -0.896 9.277 1.00 0.00 H new ATOM 0 HA ARG A 14 24.082 1.277 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.001 0.062 5.839 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.147 0.272 7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.791 -2.096 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.638 -2.308 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.412 -1.934 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.577 -1.590 6.120 1.00 0.00 H new ATOM 0 HE ARG A 14 26.600 -4.092 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.085 -2.843 3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.749 -4.416 3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.484 -6.083 6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.412 -6.236 4.754 1.00 0.00 H new ATOM 248 N SER A 15 22.216 -1.383 7.603 1.00 0.00 N ATOM 249 CA SER A 15 21.036 -2.009 7.004 1.00 0.00 C ATOM 250 C SER A 15 19.775 -1.674 7.802 1.00 0.00 C ATOM 251 O SER A 15 18.752 -1.303 7.229 1.00 0.00 O ATOM 252 CB SER A 15 21.335 -3.509 6.902 1.00 0.00 C ATOM 253 OG SER A 15 22.295 -3.919 7.881 1.00 0.00 O ATOM 0 H SER A 15 22.636 -1.948 8.341 1.00 0.00 H new ATOM 0 HA SER A 15 20.832 -1.625 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.413 -4.075 7.035 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.709 -3.740 5.905 1.00 0.00 H new ATOM 0 HG SER A 15 23.081 -4.295 7.431 1.00 0.00 H new ATOM 259 N GLN A 16 19.869 -1.675 9.127 1.00 0.00 N ATOM 260 CA GLN A 16 18.823 -1.169 10.009 1.00 0.00 C ATOM 261 C GLN A 16 18.640 0.343 9.795 1.00 0.00 C ATOM 262 O GLN A 16 17.510 0.833 9.791 1.00 0.00 O ATOM 263 CB GLN A 16 19.217 -1.615 11.422 1.00 0.00 C ATOM 264 CG GLN A 16 18.281 -1.215 12.568 1.00 0.00 C ATOM 265 CD GLN A 16 18.992 -1.282 13.926 1.00 0.00 C ATOM 266 OE1 GLN A 16 19.996 -1.962 14.114 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.531 -0.516 14.898 1.00 0.00 N ATOM 0 H GLN A 16 20.684 -2.032 9.625 1.00 0.00 H new ATOM 0 HA GLN A 16 17.831 -1.570 9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.305 -2.701 11.421 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.207 -1.215 11.639 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.910 -0.204 12.400 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.414 -1.875 12.578 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.697 0.052 14.748 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.009 -0.492 15.799 1.00 0.00 H new ATOM 276 N MET A 17 19.721 1.081 9.515 1.00 0.00 N ATOM 277 CA MET A 17 19.641 2.477 9.084 1.00 0.00 C ATOM 278 C MET A 17 18.916 2.595 7.759 1.00 0.00 C ATOM 279 O MET A 17 18.158 3.540 7.576 1.00 0.00 O ATOM 280 CB MET A 17 21.046 3.063 8.897 1.00 0.00 C ATOM 281 CG MET A 17 21.071 4.476 8.282 1.00 0.00 C ATOM 282 SD MET A 17 20.424 5.860 9.261 1.00 0.00 S ATOM 283 CE MET A 17 18.616 5.853 9.238 1.00 0.00 C ATOM 0 H MET A 17 20.674 0.725 9.582 1.00 0.00 H new ATOM 0 HA MET A 17 19.099 3.021 9.857 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.546 3.093 9.865 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.624 2.393 8.261 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.105 4.707 8.025 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.510 4.441 7.348 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.242 6.755 9.723 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.265 5.824 8.206 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.249 4.976 9.771 1.00 0.00 H new ATOM 293 N ALA A 18 19.151 1.680 6.828 1.00 0.00 N ATOM 294 CA ALA A 18 18.528 1.778 5.525 1.00 0.00 C ATOM 295 C ALA A 18 17.007 1.738 5.678 1.00 0.00 C ATOM 296 O ALA A 18 16.334 2.538 5.036 1.00 0.00 O ATOM 297 CB ALA A 18 19.103 0.691 4.625 1.00 0.00 C ATOM 0 H ALA A 18 19.762 0.873 6.953 1.00 0.00 H new ATOM 0 HA ALA A 18 18.748 2.730 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.642 0.753 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.180 0.828 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.899 -0.287 5.060 1.00 0.00 H new ATOM 303 N GLU A 19 16.470 0.942 6.613 1.00 0.00 N ATOM 304 CA GLU A 19 15.050 1.038 6.957 1.00 0.00 C ATOM 305 C GLU A 19 14.736 2.416 7.544 1.00 0.00 C ATOM 306 O GLU A 19 13.718 2.992 7.176 1.00 0.00 O ATOM 307 CB GLU A 19 14.625 -0.061 7.942 1.00 0.00 C ATOM 308 CG GLU A 19 13.112 -0.044 8.223 1.00 0.00 C ATOM 309 CD GLU A 19 12.709 -0.784 9.509 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.204 -1.911 9.736 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.872 -0.245 10.273 1.00 0.00 O ATOM 0 H GLU A 19 16.989 0.237 7.135 1.00 0.00 H new ATOM 0 HA GLU A 19 14.482 0.899 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.906 -1.034 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.167 0.065 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.777 0.991 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.590 -0.494 7.378 1.00 0.00 H new ATOM 318 N GLY A 20 15.569 2.982 8.428 1.00 0.00 N ATOM 319 CA GLY A 20 15.266 4.258 9.063 1.00 0.00 C ATOM 320 C GLY A 20 15.159 5.392 8.054 1.00 0.00 C ATOM 321 O GLY A 20 14.223 6.184 8.122 1.00 0.00 O ATOM 0 H GLY A 20 16.457 2.571 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.329 4.174 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.043 4.493 9.790 1.00 0.00 H new ATOM 325 N PHE A 21 16.059 5.442 7.071 1.00 0.00 N ATOM 326 CA PHE A 21 15.949 6.398 5.975 1.00 0.00 C ATOM 327 C PHE A 21 14.767 6.024 5.099 1.00 0.00 C ATOM 328 O PHE A 21 14.025 6.909 4.689 1.00 0.00 O ATOM 329 CB PHE A 21 17.239 6.441 5.139 1.00 0.00 C ATOM 330 CG PHE A 21 18.348 7.303 5.702 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.127 8.669 5.958 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.624 6.756 5.922 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.163 9.472 6.459 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.658 7.557 6.417 1.00 0.00 C ATOM 335 CZ PHE A 21 20.429 8.916 6.698 1.00 0.00 C ATOM 0 H PHE A 21 16.873 4.829 7.014 1.00 0.00 H new ATOM 0 HA PHE A 21 15.795 7.392 6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.614 5.424 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.993 6.802 4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.156 9.101 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.807 5.713 5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.986 10.518 6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.636 7.130 6.584 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.224 9.529 7.096 1.00 0.00 H new ATOM 345 N ALA A 22 14.539 4.745 4.808 1.00 0.00 N ATOM 346 CA ALA A 22 13.522 4.361 3.841 1.00 0.00 C ATOM 347 C ALA A 22 12.112 4.583 4.390 1.00 0.00 C ATOM 348 O ALA A 22 11.247 5.019 3.646 1.00 0.00 O ATOM 349 CB ALA A 22 13.784 2.926 3.376 1.00 0.00 C ATOM 0 H ALA A 22 15.043 3.964 5.227 1.00 0.00 H new ATOM 0 HA ALA A 22 13.585 5.005 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.024 2.634 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.769 2.868 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.746 2.253 4.233 1.00 0.00 H new ATOM 355 N LYS A 23 11.865 4.378 5.682 1.00 0.00 N ATOM 356 CA LYS A 23 10.575 4.662 6.311 1.00 0.00 C ATOM 357 C LYS A 23 10.325 6.167 6.465 1.00 0.00 C ATOM 358 O LYS A 23 9.181 6.588 6.574 1.00 0.00 O ATOM 359 CB LYS A 23 10.465 3.883 7.639 1.00 0.00 C ATOM 360 CG LYS A 23 11.188 4.565 8.810 1.00 0.00 C ATOM 361 CD LYS A 23 11.294 3.658 10.042 1.00 0.00 C ATOM 362 CE LYS A 23 11.884 4.475 11.203 1.00 0.00 C ATOM 363 NZ LYS A 23 12.211 3.628 12.381 1.00 0.00 N ATOM 0 H LYS A 23 12.561 4.007 6.329 1.00 0.00 H new ATOM 0 HA LYS A 23 9.776 4.313 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.412 3.761 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.877 2.884 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.188 4.860 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.656 5.478 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.312 3.271 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.927 2.797 9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.786 4.985 10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.173 5.247 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.728 4.195 13.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.332 3.269 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.802 2.827 12.079 1.00 0.00 H new ATOM 377 N THR A 24 11.394 6.963 6.458 1.00 0.00 N ATOM 378 CA THR A 24 11.387 8.418 6.513 1.00 0.00 C ATOM 379 C THR A 24 11.101 8.988 5.114 1.00 0.00 C ATOM 380 O THR A 24 10.211 9.820 4.934 1.00 0.00 O ATOM 381 CB THR A 24 12.778 8.805 7.067 1.00 0.00 C ATOM 382 OG1 THR A 24 12.792 8.644 8.473 1.00 0.00 O ATOM 383 CG2 THR A 24 13.330 10.173 6.683 1.00 0.00 C ATOM 0 H THR A 24 12.340 6.584 6.411 1.00 0.00 H new ATOM 0 HA THR A 24 10.607 8.829 7.153 1.00 0.00 H new ATOM 0 HB THR A 24 13.460 8.115 6.571 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.255 7.811 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.310 10.311 7.140 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.423 10.237 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.652 10.951 7.035 1.00 0.00 H new ATOM 391 N LEU A 25 11.848 8.518 4.112 1.00 0.00 N ATOM 392 CA LEU A 25 11.887 9.071 2.764 1.00 0.00 C ATOM 393 C LEU A 25 10.812 8.442 1.863 1.00 0.00 C ATOM 394 O LEU A 25 10.342 9.078 0.922 1.00 0.00 O ATOM 395 CB LEU A 25 13.279 8.808 2.159 1.00 0.00 C ATOM 396 CG LEU A 25 14.435 9.644 2.726 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.757 9.153 2.115 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.275 11.140 2.437 1.00 0.00 C ATOM 0 H LEU A 25 12.463 7.712 4.226 1.00 0.00 H new ATOM 0 HA LEU A 25 11.689 10.141 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.519 7.754 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.224 8.984 1.085 1.00 0.00 H new ATOM 0 HG LEU A 25 14.432 9.517 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.583 9.742 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.906 8.103 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.721 9.265 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.119 11.685 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.242 11.301 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.349 11.500 2.886 1.00 0.00 H new ATOM 410 N GLY A 26 10.414 7.206 2.170 1.00 0.00 N ATOM 411 CA GLY A 26 9.421 6.397 1.463 1.00 0.00 C ATOM 412 C GLY A 26 8.096 6.350 2.219 1.00 0.00 C ATOM 413 O GLY A 26 7.288 5.443 2.008 1.00 0.00 O ATOM 0 H GLY A 26 10.803 6.711 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.258 6.808 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.802 5.384 1.332 1.00 0.00 H new ATOM 417 N ALA A 27 7.894 7.285 3.152 1.00 0.00 N ATOM 418 CA ALA A 27 6.772 7.302 4.074 1.00 0.00 C ATOM 419 C ALA A 27 5.463 7.392 3.292 1.00 0.00 C ATOM 420 O ALA A 27 5.257 8.328 2.515 1.00 0.00 O ATOM 421 CB ALA A 27 6.936 8.482 5.043 1.00 0.00 C ATOM 0 H ALA A 27 8.530 8.071 3.284 1.00 0.00 H new ATOM 0 HA ALA A 27 6.747 6.381 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.097 8.501 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.866 8.369 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.961 9.415 4.480 1.00 0.00 H new ATOM 427 N GLY A 28 4.586 6.404 3.487 1.00 0.00 N ATOM 428 CA GLY A 28 3.281 6.359 2.829 1.00 0.00 C ATOM 429 C GLY A 28 3.351 5.934 1.364 1.00 0.00 C ATOM 430 O GLY A 28 2.348 6.015 0.653 1.00 0.00 O ATOM 0 H GLY A 28 4.762 5.613 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.634 5.667 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.817 7.344 2.892 1.00 0.00 H new ATOM 434 N LYS A 29 4.520 5.475 0.902 1.00 0.00 N ATOM 435 CA LYS A 29 4.802 5.094 -0.471 1.00 0.00 C ATOM 436 C LYS A 29 5.320 3.672 -0.532 1.00 0.00 C ATOM 437 O LYS A 29 5.076 2.982 -1.513 1.00 0.00 O ATOM 438 CB LYS A 29 5.837 6.050 -1.058 1.00 0.00 C ATOM 439 CG LYS A 29 5.303 7.477 -1.196 1.00 0.00 C ATOM 440 CD LYS A 29 4.155 7.571 -2.220 1.00 0.00 C ATOM 441 CE LYS A 29 3.870 9.000 -2.709 1.00 0.00 C ATOM 442 NZ LYS A 29 4.944 9.529 -3.590 1.00 0.00 N ATOM 0 H LYS A 29 5.329 5.357 1.512 1.00 0.00 H new ATOM 0 HA LYS A 29 3.881 5.150 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.723 6.057 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.150 5.686 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.952 7.827 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.114 8.139 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.396 6.945 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.248 7.163 -1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.923 9.013 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.755 9.658 -1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.530 10.175 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.643 10.043 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.412 8.740 -4.080 1.00 0.00 H new ATOM 456 N ILE A 30 5.975 3.206 0.525 1.00 0.00 N ATOM 457 CA ILE A 30 6.413 1.830 0.675 1.00 0.00 C ATOM 458 C ILE A 30 6.227 1.399 2.127 1.00 0.00 C ATOM 459 O ILE A 30 6.085 2.232 3.021 1.00 0.00 O ATOM 460 CB ILE A 30 7.898 1.698 0.262 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.832 2.699 0.977 1.00 0.00 C ATOM 462 CG2 ILE A 30 8.057 1.835 -1.255 1.00 0.00 C ATOM 463 CD1 ILE A 30 10.266 2.177 1.128 1.00 0.00 C ATOM 0 H ILE A 30 6.221 3.794 1.321 1.00 0.00 H new ATOM 0 HA ILE A 30 5.817 1.185 0.029 1.00 0.00 H new ATOM 0 HB ILE A 30 8.203 0.700 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.849 3.635 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.427 2.924 1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.110 1.739 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.484 1.053 -1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.691 2.811 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.874 2.925 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.259 1.256 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.687 1.978 0.142 1.00 0.00 H new ATOM 475 N ALA A 31 6.235 0.084 2.336 1.00 0.00 N ATOM 476 CA ALA A 31 6.328 -0.508 3.668 1.00 0.00 C ATOM 477 C ALA A 31 7.798 -0.900 3.777 1.00 0.00 C ATOM 478 O ALA A 31 8.398 -1.288 2.779 1.00 0.00 O ATOM 479 CB ALA A 31 5.364 -1.686 3.820 1.00 0.00 C ATOM 0 H ALA A 31 6.177 -0.603 1.584 1.00 0.00 H new ATOM 0 HA ALA A 31 6.035 0.167 4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.457 -2.105 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.342 -1.342 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.606 -2.451 3.083 1.00 0.00 H new ATOM 485 N VAL A 32 8.403 -0.793 4.953 1.00 0.00 N ATOM 486 CA VAL A 32 9.843 -0.891 5.111 1.00 0.00 C ATOM 487 C VAL A 32 10.215 -1.821 6.282 1.00 0.00 C ATOM 488 O VAL A 32 9.551 -1.792 7.321 1.00 0.00 O ATOM 489 CB VAL A 32 10.344 0.561 5.314 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.796 0.698 4.907 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.560 1.657 4.550 1.00 0.00 C ATOM 0 H VAL A 32 7.903 -0.635 5.828 1.00 0.00 H new ATOM 0 HA VAL A 32 10.319 -1.338 4.239 1.00 0.00 H new ATOM 0 HB VAL A 32 10.189 0.727 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.121 1.727 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.408 0.030 5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.905 0.436 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.996 2.633 4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.614 1.463 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.518 1.647 4.868 1.00 0.00 H new ATOM 501 N THR A 33 11.288 -2.614 6.126 1.00 0.00 N ATOM 502 CA THR A 33 11.719 -3.614 7.112 1.00 0.00 C ATOM 503 C THR A 33 13.239 -3.820 7.029 1.00 0.00 C ATOM 504 O THR A 33 13.793 -3.740 5.934 1.00 0.00 O ATOM 505 CB THR A 33 11.003 -4.958 6.844 1.00 0.00 C ATOM 506 OG1 THR A 33 9.947 -4.862 5.894 1.00 0.00 O ATOM 507 CG2 THR A 33 10.412 -5.558 8.121 1.00 0.00 C ATOM 0 H THR A 33 11.887 -2.577 5.301 1.00 0.00 H new ATOM 0 HA THR A 33 11.461 -3.256 8.109 1.00 0.00 H new ATOM 0 HB THR A 33 11.787 -5.600 6.442 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.318 -4.641 5.014 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.919 -6.501 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.210 -5.736 8.842 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.686 -4.865 8.546 1.00 0.00 H new ATOM 515 N SER A 34 13.918 -4.147 8.131 1.00 0.00 N ATOM 516 CA SER A 34 15.344 -4.465 8.161 1.00 0.00 C ATOM 517 C SER A 34 15.507 -5.748 8.954 1.00 0.00 C ATOM 518 O SER A 34 15.164 -5.769 10.128 1.00 0.00 O ATOM 519 CB SER A 34 16.176 -3.312 8.735 1.00 0.00 C ATOM 520 OG SER A 34 15.644 -2.736 9.919 1.00 0.00 O ATOM 0 H SER A 34 13.478 -4.199 9.050 1.00 0.00 H new ATOM 0 HA SER A 34 15.720 -4.608 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.183 -3.675 8.943 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.268 -2.534 7.977 1.00 0.00 H new ATOM 0 HG SER A 34 14.912 -2.127 9.686 1.00 0.00 H new ATOM 526 N CYS A 35 15.994 -6.828 8.348 1.00 0.00 N ATOM 527 CA CYS A 35 15.965 -8.151 8.973 1.00 0.00 C ATOM 528 C CYS A 35 17.235 -8.929 8.664 1.00 0.00 C ATOM 529 O CYS A 35 17.978 -8.565 7.757 1.00 0.00 O ATOM 530 CB CYS A 35 14.744 -8.915 8.440 1.00 0.00 C ATOM 531 SG CYS A 35 13.198 -8.075 8.920 1.00 0.00 S ATOM 0 H CYS A 35 16.416 -6.814 7.420 1.00 0.00 H new ATOM 0 HA CYS A 35 15.899 -8.035 10.055 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.801 -8.990 7.354 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.747 -9.933 8.830 1.00 0.00 H new ATOM 0 HG CYS A 35 12.456 -8.892 9.607 1.00 0.00 H new ATOM 537 N GLY A 36 17.480 -10.016 9.400 1.00 0.00 N ATOM 538 CA GLY A 36 18.762 -10.703 9.339 1.00 0.00 C ATOM 539 C GLY A 36 19.782 -9.986 10.220 1.00 0.00 C ATOM 540 O GLY A 36 20.955 -9.928 9.855 1.00 0.00 O ATOM 0 H GLY A 36 16.806 -10.434 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.647 -11.735 9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.118 -10.735 8.309 1.00 0.00 H new ATOM 544 N LEU A 37 19.346 -9.399 11.349 1.00 0.00 N ATOM 545 CA LEU A 37 20.285 -8.895 12.347 1.00 0.00 C ATOM 546 C LEU A 37 20.911 -10.191 12.852 1.00 0.00 C ATOM 547 O LEU A 37 20.157 -11.066 13.278 1.00 0.00 O ATOM 548 CB LEU A 37 19.583 -8.105 13.478 1.00 0.00 C ATOM 549 CG LEU A 37 19.211 -6.639 13.153 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.798 -6.481 12.572 1.00 0.00 C ATOM 551 CD2 LEU A 37 19.285 -5.754 14.408 1.00 0.00 C ATOM 0 H LEU A 37 18.362 -9.267 11.584 1.00 0.00 H new ATOM 0 HA LEU A 37 21.004 -8.178 11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.673 -8.637 13.754 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.232 -8.108 14.353 1.00 0.00 H new ATOM 0 HG LEU A 37 19.940 -6.328 12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.604 -5.428 12.368 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.720 -7.051 11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.066 -6.852 13.289 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.018 -4.730 14.147 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.591 -6.130 15.160 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.299 -5.774 14.808 1.00 0.00 H new ATOM 563 N GLU A 38 22.230 -10.376 12.733 1.00 0.00 N ATOM 564 CA GLU A 38 22.842 -11.683 12.969 1.00 0.00 C ATOM 565 C GLU A 38 22.797 -12.115 14.435 1.00 0.00 C ATOM 566 O GLU A 38 23.730 -11.882 15.207 1.00 0.00 O ATOM 567 CB GLU A 38 24.258 -11.776 12.400 1.00 0.00 C ATOM 568 CG GLU A 38 24.278 -11.600 10.875 1.00 0.00 C ATOM 569 CD GLU A 38 25.621 -12.012 10.258 1.00 0.00 C ATOM 570 OE1 GLU A 38 25.949 -13.222 10.228 1.00 0.00 O ATOM 571 OE2 GLU A 38 26.338 -11.132 9.722 1.00 0.00 O ATOM 0 H GLU A 38 22.889 -9.641 12.476 1.00 0.00 H new ATOM 0 HA GLU A 38 22.224 -12.394 12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.885 -11.013 12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.690 -12.743 12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.480 -12.196 10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.072 -10.558 10.629 1.00 0.00 H new ATOM 578 N SER A 39 21.682 -12.750 14.790 1.00 0.00 N ATOM 579 CA SER A 39 21.380 -13.321 16.103 1.00 0.00 C ATOM 580 C SER A 39 21.663 -12.329 17.250 1.00 0.00 C ATOM 581 O SER A 39 22.096 -12.719 18.339 1.00 0.00 O ATOM 582 CB SER A 39 22.115 -14.666 16.254 1.00 0.00 C ATOM 583 OG SER A 39 21.850 -15.518 15.140 1.00 0.00 O ATOM 0 H SER A 39 20.918 -12.889 14.129 1.00 0.00 H new ATOM 0 HA SER A 39 20.310 -13.518 16.172 1.00 0.00 H new ATOM 0 HB2 SER A 39 23.188 -14.492 16.337 1.00 0.00 H new ATOM 0 HB3 SER A 39 21.800 -15.156 17.175 1.00 0.00 H new ATOM 0 HG SER A 39 22.328 -16.366 15.256 1.00 0.00 H new ATOM 589 N SER A 40 21.438 -11.040 16.985 1.00 0.00 N ATOM 590 CA SER A 40 21.819 -9.922 17.836 1.00 0.00 C ATOM 591 C SER A 40 20.751 -8.835 17.736 1.00 0.00 C ATOM 592 O SER A 40 19.892 -8.857 16.848 1.00 0.00 O ATOM 593 CB SER A 40 23.190 -9.372 17.393 1.00 0.00 C ATOM 594 OG SER A 40 24.206 -10.364 17.424 1.00 0.00 O ATOM 0 H SER A 40 20.964 -10.739 16.133 1.00 0.00 H new ATOM 0 HA SER A 40 21.899 -10.254 18.871 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.108 -8.971 16.383 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.474 -8.544 18.043 1.00 0.00 H new ATOM 0 HG SER A 40 24.058 -11.006 16.699 1.00 0.00 H new ATOM 600 N ARG A 41 20.807 -7.885 18.668 1.00 0.00 N ATOM 601 CA ARG A 41 19.850 -6.789 18.777 1.00 0.00 C ATOM 602 C ARG A 41 20.420 -5.538 18.104 1.00 0.00 C ATOM 603 O ARG A 41 21.486 -5.582 17.483 1.00 0.00 O ATOM 604 CB ARG A 41 19.524 -6.591 20.269 1.00 0.00 C ATOM 605 CG ARG A 41 18.702 -7.770 20.816 1.00 0.00 C ATOM 606 CD ARG A 41 18.856 -7.876 22.336 1.00 0.00 C ATOM 607 NE ARG A 41 17.995 -8.936 22.896 1.00 0.00 N ATOM 608 CZ ARG A 41 17.923 -9.285 24.189 1.00 0.00 C ATOM 609 NH1 ARG A 41 18.663 -8.659 25.103 1.00 0.00 N ATOM 610 NH2 ARG A 41 17.105 -10.266 24.566 1.00 0.00 N ATOM 0 H ARG A 41 21.534 -7.857 19.382 1.00 0.00 H new ATOM 0 HA ARG A 41 18.918 -7.011 18.258 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.449 -6.494 20.837 1.00 0.00 H new ATOM 0 HB3 ARG A 41 18.969 -5.663 20.403 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.651 -7.637 20.560 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.030 -8.698 20.346 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.897 -8.083 22.583 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.603 -6.920 22.796 1.00 0.00 H new ATOM 0 HE ARG A 41 17.403 -9.448 22.242 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.292 -7.907 24.822 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.601 -8.932 26.084 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.535 -10.750 23.872 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.048 -10.533 25.549 1.00 0.00 H new ATOM 624 N VAL A 42 19.696 -4.424 18.216 1.00 0.00 N ATOM 625 CA VAL A 42 20.145 -3.108 17.789 1.00 0.00 C ATOM 626 C VAL A 42 21.442 -2.704 18.495 1.00 0.00 C ATOM 627 O VAL A 42 21.887 -3.334 19.458 1.00 0.00 O ATOM 628 CB VAL A 42 19.012 -2.084 18.021 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.683 -2.534 17.383 1.00 0.00 C ATOM 630 CG2 VAL A 42 18.794 -1.746 19.506 1.00 0.00 C ATOM 0 H VAL A 42 18.758 -4.417 18.617 1.00 0.00 H new ATOM 0 HA VAL A 42 20.375 -3.134 16.724 1.00 0.00 H new ATOM 0 HB VAL A 42 19.347 -1.173 17.524 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.916 -1.783 17.572 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.817 -2.653 16.308 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.374 -3.485 17.817 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.985 -1.022 19.599 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.534 -2.653 20.051 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.709 -1.323 19.921 1.00 0.00 H new ATOM 640 N HIS A 43 21.998 -1.584 18.035 1.00 0.00 N ATOM 641 CA HIS A 43 23.257 -1.049 18.509 1.00 0.00 C ATOM 642 C HIS A 43 23.060 0.449 18.758 1.00 0.00 C ATOM 643 O HIS A 43 22.700 1.164 17.823 1.00 0.00 O ATOM 644 CB HIS A 43 24.289 -1.368 17.427 1.00 0.00 C ATOM 645 CG HIS A 43 25.683 -0.954 17.808 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.476 -1.537 18.773 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.402 0.071 17.259 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.640 -0.866 18.817 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.644 0.119 17.900 1.00 0.00 N ATOM 0 H HIS A 43 21.569 -1.016 17.305 1.00 0.00 H new ATOM 0 HA HIS A 43 23.605 -1.480 19.448 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.276 -2.439 17.224 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.006 -0.865 16.502 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.069 0.728 16.469 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.455 -1.086 19.491 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.404 0.772 17.710 1.00 0.00 H new ATOM 657 N PRO A 44 23.269 0.958 19.985 1.00 0.00 N ATOM 658 CA PRO A 44 22.899 2.319 20.369 1.00 0.00 C ATOM 659 C PRO A 44 23.720 3.371 19.634 1.00 0.00 C ATOM 660 O PRO A 44 23.214 4.470 19.418 1.00 0.00 O ATOM 661 CB PRO A 44 23.131 2.404 21.882 1.00 0.00 C ATOM 662 CG PRO A 44 24.277 1.418 22.062 1.00 0.00 C ATOM 663 CD PRO A 44 23.840 0.281 21.136 1.00 0.00 C ATOM 0 HA PRO A 44 21.862 2.523 20.103 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.401 3.411 22.201 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.247 2.116 22.451 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.236 1.844 21.767 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.379 1.090 23.096 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.684 -0.347 20.850 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.109 -0.368 21.619 1.00 0.00 H new ATOM 671 N THR A 45 24.944 3.048 19.191 1.00 0.00 N ATOM 672 CA THR A 45 25.738 4.010 18.440 1.00 0.00 C ATOM 673 C THR A 45 24.991 4.385 17.156 1.00 0.00 C ATOM 674 O THR A 45 24.979 5.551 16.773 1.00 0.00 O ATOM 675 CB THR A 45 27.148 3.472 18.122 1.00 0.00 C ATOM 676 OG1 THR A 45 27.720 2.896 19.285 1.00 0.00 O ATOM 677 CG2 THR A 45 28.071 4.575 17.579 1.00 0.00 C ATOM 0 H THR A 45 25.392 2.144 19.340 1.00 0.00 H new ATOM 0 HA THR A 45 25.876 4.900 19.055 1.00 0.00 H new ATOM 0 HB THR A 45 27.045 2.712 17.347 1.00 0.00 H new ATOM 0 HG1 THR A 45 27.832 1.932 19.151 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.054 4.155 17.368 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.647 4.986 16.663 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.167 5.367 18.321 1.00 0.00 H new ATOM 685 N ALA A 46 24.299 3.420 16.523 1.00 0.00 N ATOM 686 CA ALA A 46 23.529 3.699 15.320 1.00 0.00 C ATOM 687 C ALA A 46 22.376 4.621 15.670 1.00 0.00 C ATOM 688 O ALA A 46 22.166 5.606 14.982 1.00 0.00 O ATOM 689 CB ALA A 46 23.042 2.402 14.659 1.00 0.00 C ATOM 0 H ALA A 46 24.264 2.448 16.831 1.00 0.00 H new ATOM 0 HA ALA A 46 24.167 4.198 14.591 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.470 2.643 13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.900 1.788 14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.409 1.853 15.357 1.00 0.00 H new ATOM 695 N ILE A 47 21.677 4.357 16.774 1.00 0.00 N ATOM 696 CA ILE A 47 20.557 5.198 17.191 1.00 0.00 C ATOM 697 C ILE A 47 21.058 6.630 17.382 1.00 0.00 C ATOM 698 O ILE A 47 20.450 7.536 16.827 1.00 0.00 O ATOM 699 CB ILE A 47 19.876 4.648 18.455 1.00 0.00 C ATOM 700 CG1 ILE A 47 18.938 3.464 18.182 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.030 5.703 19.200 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.544 2.155 17.700 1.00 0.00 C ATOM 0 H ILE A 47 21.867 3.569 17.394 1.00 0.00 H new ATOM 0 HA ILE A 47 19.792 5.194 16.414 1.00 0.00 H new ATOM 0 HB ILE A 47 20.721 4.330 19.066 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.389 3.257 19.101 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.207 3.784 17.440 1.00 0.00 H new ATOM 0 HG21 ILE A 47 18.577 5.250 20.082 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.669 6.532 19.505 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.246 6.073 18.539 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.753 1.420 17.553 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.065 2.321 16.757 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.250 1.785 18.444 1.00 0.00 H new ATOM 714 N ALA A 48 22.171 6.845 18.094 1.00 0.00 N ATOM 715 CA ALA A 48 22.711 8.184 18.312 1.00 0.00 C ATOM 716 C ALA A 48 23.076 8.857 16.984 1.00 0.00 C ATOM 717 O ALA A 48 22.759 10.023 16.761 1.00 0.00 O ATOM 718 CB ALA A 48 23.928 8.119 19.238 1.00 0.00 C ATOM 0 H ALA A 48 22.715 6.100 18.530 1.00 0.00 H new ATOM 0 HA ALA A 48 21.940 8.789 18.789 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.322 9.124 19.393 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.633 7.693 20.197 1.00 0.00 H new ATOM 0 HB3 ALA A 48 24.697 7.494 18.785 1.00 0.00 H new ATOM 724 N MET A 49 23.701 8.099 16.083 1.00 0.00 N ATOM 725 CA MET A 49 24.041 8.534 14.737 1.00 0.00 C ATOM 726 C MET A 49 22.828 8.915 13.915 1.00 0.00 C ATOM 727 O MET A 49 22.976 9.699 12.981 1.00 0.00 O ATOM 728 CB MET A 49 24.815 7.445 13.994 1.00 0.00 C ATOM 729 CG MET A 49 26.235 7.284 14.527 1.00 0.00 C ATOM 730 SD MET A 49 27.397 8.494 13.844 1.00 0.00 S ATOM 731 CE MET A 49 27.446 9.656 15.219 1.00 0.00 C ATOM 0 H MET A 49 23.991 7.141 16.279 1.00 0.00 H new ATOM 0 HA MET A 49 24.660 9.423 14.858 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.284 6.497 14.086 1.00 0.00 H new ATOM 0 HB3 MET A 49 24.852 7.688 12.932 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.221 7.377 15.613 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.590 6.279 14.297 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.373 10.228 15.179 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.597 10.336 15.151 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.398 9.108 16.160 1.00 0.00 H new ATOM 741 N MET A 50 21.652 8.380 14.221 1.00 0.00 N ATOM 742 CA MET A 50 20.458 8.670 13.449 1.00 0.00 C ATOM 743 C MET A 50 19.714 9.802 14.142 1.00 0.00 C ATOM 744 O MET A 50 19.164 10.678 13.482 1.00 0.00 O ATOM 745 CB MET A 50 19.618 7.398 13.282 1.00 0.00 C ATOM 746 CG MET A 50 20.381 6.228 12.635 1.00 0.00 C ATOM 747 SD MET A 50 22.016 6.562 11.870 1.00 0.00 S ATOM 748 CE MET A 50 22.721 4.904 11.806 1.00 0.00 C ATOM 0 H MET A 50 21.503 7.741 15.002 1.00 0.00 H new ATOM 0 HA MET A 50 20.704 8.998 12.439 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.253 7.084 14.260 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.743 7.629 12.674 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.523 5.463 13.398 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.738 5.797 11.867 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.561 4.839 12.497 1.00 0.00 H new ATOM 0 HE2 MET A 50 21.962 4.175 12.088 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.067 4.694 10.794 1.00 0.00 H new ATOM 758 N GLU A 51 19.782 9.860 15.469 1.00 0.00 N ATOM 759 CA GLU A 51 19.235 10.935 16.267 1.00 0.00 C ATOM 760 C GLU A 51 19.915 12.252 15.911 1.00 0.00 C ATOM 761 O GLU A 51 19.236 13.278 15.814 1.00 0.00 O ATOM 762 CB GLU A 51 19.383 10.576 17.757 1.00 0.00 C ATOM 763 CG GLU A 51 18.732 11.619 18.674 1.00 0.00 C ATOM 764 CD GLU A 51 18.815 11.192 20.151 1.00 0.00 C ATOM 765 OE1 GLU A 51 19.864 11.434 20.799 1.00 0.00 O ATOM 766 OE2 GLU A 51 17.826 10.627 20.682 1.00 0.00 O ATOM 0 H GLU A 51 20.234 9.136 16.028 1.00 0.00 H new ATOM 0 HA GLU A 51 18.173 11.065 16.057 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.931 9.601 17.940 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.441 10.488 18.004 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.226 12.581 18.543 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.688 11.755 18.390 1.00 0.00 H new ATOM 773 N GLU A 52 21.223 12.229 15.632 1.00 0.00 N ATOM 774 CA GLU A 52 21.960 13.423 15.250 1.00 0.00 C ATOM 775 C GLU A 52 21.600 13.908 13.828 1.00 0.00 C ATOM 776 O GLU A 52 22.111 14.945 13.393 1.00 0.00 O ATOM 777 CB GLU A 52 23.469 13.280 15.525 1.00 0.00 C ATOM 778 CG GLU A 52 24.242 12.295 14.641 1.00 0.00 C ATOM 779 CD GLU A 52 25.621 12.824 14.221 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.409 13.263 15.091 1.00 0.00 O ATOM 781 OE2 GLU A 52 25.956 12.730 13.016 1.00 0.00 O ATOM 0 H GLU A 52 21.792 11.383 15.666 1.00 0.00 H new ATOM 0 HA GLU A 52 21.635 14.236 15.899 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.928 14.263 15.420 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.598 12.977 16.564 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.367 11.354 15.177 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.655 12.077 13.749 1.00 0.00 H new ATOM 788 N VAL A 53 20.684 13.218 13.127 1.00 0.00 N ATOM 789 CA VAL A 53 20.072 13.637 11.872 1.00 0.00 C ATOM 790 C VAL A 53 18.529 13.517 11.927 1.00 0.00 C ATOM 791 O VAL A 53 17.862 13.626 10.895 1.00 0.00 O ATOM 792 CB VAL A 53 20.716 12.876 10.695 1.00 0.00 C ATOM 793 CG1 VAL A 53 22.155 13.346 10.444 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.705 11.347 10.808 1.00 0.00 C ATOM 0 H VAL A 53 20.340 12.311 13.442 1.00 0.00 H new ATOM 0 HA VAL A 53 20.268 14.696 11.707 1.00 0.00 H new ATOM 0 HB VAL A 53 20.073 13.124 9.851 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.579 12.789 9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 53 22.154 14.410 10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.755 13.173 11.337 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.182 10.914 9.929 1.00 0.00 H new ATOM 0 HG22 VAL A 53 21.250 11.044 11.702 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.676 10.994 10.873 1.00 0.00 H new ATOM 804 N GLY A 54 17.939 13.344 13.119 1.00 0.00 N ATOM 805 CA GLY A 54 16.491 13.392 13.321 1.00 0.00 C ATOM 806 C GLY A 54 15.749 12.133 12.851 1.00 0.00 C ATOM 807 O GLY A 54 14.612 12.238 12.385 1.00 0.00 O ATOM 0 H GLY A 54 18.463 13.165 13.976 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.288 13.546 14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.090 14.256 12.791 1.00 0.00 H new ATOM 811 N ILE A 55 16.368 10.952 12.964 1.00 0.00 N ATOM 812 CA ILE A 55 15.792 9.648 12.650 1.00 0.00 C ATOM 813 C ILE A 55 15.949 8.762 13.902 1.00 0.00 C ATOM 814 O ILE A 55 16.784 9.038 14.766 1.00 0.00 O ATOM 815 CB ILE A 55 16.403 9.072 11.349 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.151 10.088 10.211 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.806 7.681 11.006 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.507 9.555 8.833 1.00 0.00 C ATOM 0 H ILE A 55 17.331 10.881 13.293 1.00 0.00 H new ATOM 0 HA ILE A 55 14.727 9.712 12.427 1.00 0.00 H new ATOM 0 HB ILE A 55 17.474 8.921 11.482 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.100 10.378 10.219 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.732 10.990 10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.258 7.308 10.087 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.012 6.986 11.820 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.728 7.771 10.870 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.305 10.320 8.084 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.564 9.292 8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.907 8.670 8.619 1.00 0.00 H new ATOM 830 N ASP A 56 15.171 7.683 14.003 1.00 0.00 N ATOM 831 CA ASP A 56 15.263 6.699 15.085 1.00 0.00 C ATOM 832 C ASP A 56 15.081 5.304 14.501 1.00 0.00 C ATOM 833 O ASP A 56 14.255 5.108 13.608 1.00 0.00 O ATOM 834 CB ASP A 56 14.192 6.976 16.146 1.00 0.00 C ATOM 835 CG ASP A 56 14.063 5.806 17.136 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.102 5.287 17.611 1.00 0.00 O ATOM 837 OD2 ASP A 56 12.922 5.374 17.411 1.00 0.00 O ATOM 0 H ASP A 56 14.444 7.464 13.322 1.00 0.00 H new ATOM 0 HA ASP A 56 16.241 6.770 15.562 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.443 7.887 16.689 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.232 7.149 15.659 1.00 0.00 H new ATOM 842 N ILE A 57 15.853 4.337 14.996 1.00 0.00 N ATOM 843 CA ILE A 57 15.880 2.947 14.573 1.00 0.00 C ATOM 844 C ILE A 57 15.974 2.028 15.797 1.00 0.00 C ATOM 845 O ILE A 57 16.241 0.841 15.643 1.00 0.00 O ATOM 846 CB ILE A 57 16.988 2.755 13.507 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.418 3.050 14.014 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.718 3.612 12.253 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.502 2.807 12.955 1.00 0.00 C ATOM 0 H ILE A 57 16.515 4.520 15.750 1.00 0.00 H new ATOM 0 HA ILE A 57 14.951 2.661 14.081 1.00 0.00 H new ATOM 0 HB ILE A 57 16.945 1.694 13.259 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.471 4.087 14.346 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.623 2.426 14.883 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.514 3.453 11.526 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.763 3.324 11.814 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.686 4.665 12.532 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.481 3.033 13.378 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.475 1.764 12.640 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.321 3.451 12.094 1.00 0.00 H new ATOM 861 N SER A 58 15.775 2.546 17.010 1.00 0.00 N ATOM 862 CA SER A 58 15.736 1.752 18.228 1.00 0.00 C ATOM 863 C SER A 58 14.580 0.753 18.184 1.00 0.00 C ATOM 864 O SER A 58 13.521 1.023 17.611 1.00 0.00 O ATOM 865 CB SER A 58 15.672 2.665 19.459 1.00 0.00 C ATOM 866 OG SER A 58 14.578 3.559 19.451 1.00 0.00 O ATOM 0 H SER A 58 15.635 3.543 17.171 1.00 0.00 H new ATOM 0 HA SER A 58 16.655 1.171 18.304 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.617 2.047 20.355 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.597 3.238 19.523 1.00 0.00 H new ATOM 0 HG SER A 58 14.858 4.415 19.064 1.00 0.00 H new ATOM 872 N GLY A 59 14.816 -0.425 18.771 1.00 0.00 N ATOM 873 CA GLY A 59 13.853 -1.514 18.831 1.00 0.00 C ATOM 874 C GLY A 59 13.381 -2.026 17.466 1.00 0.00 C ATOM 875 O GLY A 59 12.443 -2.824 17.460 1.00 0.00 O ATOM 0 H GLY A 59 15.702 -0.646 19.225 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.297 -2.344 19.382 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.984 -1.182 19.400 1.00 0.00 H new ATOM 879 N GLN A 60 13.977 -1.587 16.335 1.00 0.00 N ATOM 880 CA GLN A 60 13.462 -1.920 15.008 1.00 0.00 C ATOM 881 C GLN A 60 13.201 -3.411 14.825 1.00 0.00 C ATOM 882 O GLN A 60 12.057 -3.824 14.615 1.00 0.00 O ATOM 883 CB GLN A 60 14.399 -1.371 13.907 1.00 0.00 C ATOM 884 CG GLN A 60 13.687 -0.180 13.267 1.00 0.00 C ATOM 885 CD GLN A 60 14.442 0.505 12.135 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.228 1.691 11.909 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.340 -0.160 11.430 1.00 0.00 N ATOM 0 H GLN A 60 14.813 -1.003 16.325 1.00 0.00 H new ATOM 0 HA GLN A 60 12.491 -1.433 14.915 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.355 -1.066 14.332 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.611 -2.139 13.163 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.723 -0.517 12.886 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.482 0.558 14.043 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.512 -1.146 11.624 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.861 0.313 10.692 1.00 0.00 H new ATOM 896 N THR A 61 14.262 -4.196 14.951 1.00 0.00 N ATOM 897 CA THR A 61 14.286 -5.606 14.607 1.00 0.00 C ATOM 898 C THR A 61 15.442 -6.273 15.347 1.00 0.00 C ATOM 899 O THR A 61 16.359 -5.592 15.811 1.00 0.00 O ATOM 900 CB THR A 61 14.377 -5.753 13.073 1.00 0.00 C ATOM 901 OG1 THR A 61 15.151 -4.701 12.522 1.00 0.00 O ATOM 902 CG2 THR A 61 12.997 -5.714 12.405 1.00 0.00 C ATOM 0 H THR A 61 15.156 -3.856 15.306 1.00 0.00 H new ATOM 0 HA THR A 61 13.370 -6.109 14.918 1.00 0.00 H new ATOM 0 HB THR A 61 14.840 -6.721 12.883 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.522 -4.984 11.660 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.112 -5.821 11.326 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.384 -6.530 12.788 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.513 -4.763 12.626 1.00 0.00 H new ATOM 910 N SER A 62 15.392 -7.597 15.509 1.00 0.00 N ATOM 911 CA SER A 62 16.402 -8.419 16.185 1.00 0.00 C ATOM 912 C SER A 62 16.166 -9.887 15.771 1.00 0.00 C ATOM 913 O SER A 62 16.145 -10.778 16.624 1.00 0.00 O ATOM 914 CB SER A 62 16.280 -8.237 17.716 1.00 0.00 C ATOM 915 OG SER A 62 16.508 -6.897 18.135 1.00 0.00 O ATOM 0 H SER A 62 14.612 -8.152 15.157 1.00 0.00 H new ATOM 0 HA SER A 62 17.410 -8.120 15.899 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.285 -8.548 18.035 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.994 -8.894 18.213 1.00 0.00 H new ATOM 0 HG SER A 62 16.811 -6.363 17.371 1.00 0.00 H new ATOM 921 N ASP A 63 15.919 -10.149 14.475 1.00 0.00 N ATOM 922 CA ASP A 63 15.446 -11.459 14.004 1.00 0.00 C ATOM 923 C ASP A 63 16.207 -11.926 12.758 1.00 0.00 C ATOM 924 O ASP A 63 16.642 -11.079 11.965 1.00 0.00 O ATOM 925 CB ASP A 63 13.940 -11.385 13.707 1.00 0.00 C ATOM 926 CG ASP A 63 13.100 -11.375 14.992 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.811 -12.467 15.538 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.720 -10.271 15.455 1.00 0.00 O ATOM 0 H ASP A 63 16.041 -9.462 13.731 1.00 0.00 H new ATOM 0 HA ASP A 63 15.632 -12.188 14.792 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.728 -10.486 13.129 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.650 -12.236 13.091 1.00 0.00 H new ATOM 933 N PRO A 64 16.372 -13.252 12.564 1.00 0.00 N ATOM 934 CA PRO A 64 17.141 -13.830 11.466 1.00 0.00 C ATOM 935 C PRO A 64 16.321 -13.932 10.171 1.00 0.00 C ATOM 936 O PRO A 64 15.091 -14.004 10.201 1.00 0.00 O ATOM 937 CB PRO A 64 17.551 -15.221 11.971 1.00 0.00 C ATOM 938 CG PRO A 64 16.365 -15.635 12.839 1.00 0.00 C ATOM 939 CD PRO A 64 15.944 -14.312 13.476 1.00 0.00 C ATOM 0 HA PRO A 64 17.998 -13.208 11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.712 -15.918 11.148 1.00 0.00 H new ATOM 0 HB3 PRO A 64 18.478 -15.185 12.544 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.562 -16.074 12.247 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.649 -16.374 13.588 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.865 -14.281 13.626 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.406 -14.190 14.456 1.00 0.00 H new ATOM 947 N ILE A 65 17.020 -14.013 9.035 1.00 0.00 N ATOM 948 CA ILE A 65 16.444 -14.026 7.686 1.00 0.00 C ATOM 949 C ILE A 65 15.555 -15.242 7.451 1.00 0.00 C ATOM 950 O ILE A 65 14.532 -15.135 6.784 1.00 0.00 O ATOM 951 CB ILE A 65 17.582 -13.914 6.637 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.029 -13.751 5.201 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.579 -15.094 6.716 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.110 -13.620 4.122 1.00 0.00 C ATOM 0 H ILE A 65 18.038 -14.073 9.029 1.00 0.00 H new ATOM 0 HA ILE A 65 15.789 -13.161 7.578 1.00 0.00 H new ATOM 0 HB ILE A 65 18.136 -13.009 6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.400 -14.610 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.390 -12.869 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.355 -14.966 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.036 -15.118 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.050 -16.030 6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.638 -13.510 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.726 -12.745 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.736 -14.512 4.124 1.00 0.00 H new ATOM 966 N GLU A 66 15.924 -16.385 8.022 1.00 0.00 N ATOM 967 CA GLU A 66 15.276 -17.654 7.727 1.00 0.00 C ATOM 968 C GLU A 66 13.852 -17.714 8.291 1.00 0.00 C ATOM 969 O GLU A 66 13.036 -18.504 7.812 1.00 0.00 O ATOM 970 CB GLU A 66 16.150 -18.792 8.274 1.00 0.00 C ATOM 971 CG GLU A 66 17.352 -19.082 7.364 1.00 0.00 C ATOM 972 CD GLU A 66 18.173 -20.279 7.883 1.00 0.00 C ATOM 973 OE1 GLU A 66 17.880 -21.437 7.495 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.124 -20.072 8.678 1.00 0.00 O ATOM 0 H GLU A 66 16.681 -16.455 8.702 1.00 0.00 H new ATOM 0 HA GLU A 66 15.176 -17.761 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.505 -18.530 9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.547 -19.694 8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.003 -19.289 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.989 -18.199 7.307 1.00 0.00 H new ATOM 981 N ASN A 67 13.534 -16.871 9.284 1.00 0.00 N ATOM 982 CA ASN A 67 12.180 -16.729 9.793 1.00 0.00 C ATOM 983 C ASN A 67 11.300 -15.857 8.875 1.00 0.00 C ATOM 984 O ASN A 67 10.077 -15.876 9.030 1.00 0.00 O ATOM 985 CB ASN A 67 12.189 -16.256 11.262 1.00 0.00 C ATOM 986 CG ASN A 67 11.599 -14.866 11.473 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.453 -14.706 11.884 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.382 -13.841 11.208 1.00 0.00 N ATOM 0 H ASN A 67 14.215 -16.272 9.751 1.00 0.00 H new ATOM 0 HA ASN A 67 11.714 -17.714 9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.631 -16.971 11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.216 -16.262 11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.040 -12.890 11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.331 -13.998 10.868 1.00 0.00 H new ATOM 995 N PHE A 68 11.884 -15.113 7.922 1.00 0.00 N ATOM 996 CA PHE A 68 11.162 -14.237 7.007 1.00 0.00 C ATOM 997 C PHE A 68 10.998 -14.899 5.632 1.00 0.00 C ATOM 998 O PHE A 68 11.599 -15.940 5.340 1.00 0.00 O ATOM 999 CB PHE A 68 11.865 -12.871 6.914 1.00 0.00 C ATOM 1000 CG PHE A 68 11.833 -12.069 8.204 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.629 -11.479 8.638 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.996 -11.917 8.978 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.593 -10.746 9.836 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.963 -11.171 10.172 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.759 -10.593 10.606 1.00 0.00 C ATOM 0 H PHE A 68 12.892 -15.109 7.769 1.00 0.00 H new ATOM 0 HA PHE A 68 10.159 -14.065 7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.903 -13.028 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.396 -12.286 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.731 -11.591 8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.920 -12.375 8.656 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.667 -10.299 10.166 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.864 -11.043 10.754 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.729 -10.033 11.529 1.00 0.00 H new ATOM 1015 N ASN A 69 10.159 -14.301 4.782 1.00 0.00 N ATOM 1016 CA ASN A 69 9.702 -14.857 3.522 1.00 0.00 C ATOM 1017 C ASN A 69 9.628 -13.673 2.569 1.00 0.00 C ATOM 1018 O ASN A 69 8.628 -12.954 2.584 1.00 0.00 O ATOM 1019 CB ASN A 69 8.343 -15.521 3.798 1.00 0.00 C ATOM 1020 CG ASN A 69 7.604 -15.989 2.556 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.516 -17.171 2.229 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.954 -15.036 1.938 1.00 0.00 N ATOM 0 H ASN A 69 9.768 -13.378 4.968 1.00 0.00 H new ATOM 0 HA ASN A 69 10.346 -15.618 3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.498 -16.376 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.711 -14.815 4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.345 -15.261 1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.056 -14.068 2.243 1.00 0.00 H new ATOM 1029 N ALA A 70 10.706 -13.391 1.825 1.00 0.00 N ATOM 1030 CA ALA A 70 10.756 -12.284 0.886 1.00 0.00 C ATOM 1031 C ALA A 70 9.573 -12.267 -0.073 1.00 0.00 C ATOM 1032 O ALA A 70 9.158 -11.194 -0.488 1.00 0.00 O ATOM 1033 CB ALA A 70 12.027 -12.342 0.050 1.00 0.00 C ATOM 0 H ALA A 70 11.569 -13.934 1.865 1.00 0.00 H new ATOM 0 HA ALA A 70 10.729 -11.381 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.043 -11.503 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.896 -12.286 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.053 -13.278 -0.508 1.00 0.00 H new ATOM 1039 N ASP A 71 9.041 -13.429 -0.433 1.00 0.00 N ATOM 1040 CA ASP A 71 7.855 -13.568 -1.277 1.00 0.00 C ATOM 1041 C ASP A 71 6.674 -12.725 -0.763 1.00 0.00 C ATOM 1042 O ASP A 71 5.846 -12.282 -1.566 1.00 0.00 O ATOM 1043 CB ASP A 71 7.471 -15.051 -1.398 1.00 0.00 C ATOM 1044 CG ASP A 71 5.955 -15.287 -1.473 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.335 -15.434 -0.390 1.00 0.00 O ATOM 1046 OD2 ASP A 71 5.405 -15.374 -2.597 1.00 0.00 O ATOM 0 H ASP A 71 9.431 -14.325 -0.140 1.00 0.00 H new ATOM 0 HA ASP A 71 8.100 -13.184 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.940 -15.468 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.873 -15.593 -0.542 1.00 0.00 H new ATOM 1051 N ASP A 72 6.601 -12.475 0.546 1.00 0.00 N ATOM 1052 CA ASP A 72 5.561 -11.639 1.145 1.00 0.00 C ATOM 1053 C ASP A 72 5.736 -10.147 0.799 1.00 0.00 C ATOM 1054 O ASP A 72 4.774 -9.379 0.848 1.00 0.00 O ATOM 1055 CB ASP A 72 5.554 -11.830 2.665 1.00 0.00 C ATOM 1056 CG ASP A 72 4.404 -11.049 3.320 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.228 -11.450 3.147 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.677 -10.065 4.050 1.00 0.00 O ATOM 0 H ASP A 72 7.266 -12.849 1.223 1.00 0.00 H new ATOM 0 HA ASP A 72 4.605 -11.956 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.457 -12.890 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.505 -11.497 3.080 1.00 0.00 H new ATOM 1063 N TYR A 73 6.950 -9.747 0.412 1.00 0.00 N ATOM 1064 CA TYR A 73 7.416 -8.399 0.139 1.00 0.00 C ATOM 1065 C TYR A 73 7.576 -8.242 -1.386 1.00 0.00 C ATOM 1066 O TYR A 73 7.397 -9.216 -2.131 1.00 0.00 O ATOM 1067 CB TYR A 73 8.759 -8.132 0.871 1.00 0.00 C ATOM 1068 CG TYR A 73 8.766 -8.425 2.368 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.733 -9.757 2.815 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.793 -7.386 3.321 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.618 -10.066 4.179 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.668 -7.684 4.691 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.549 -9.021 5.127 1.00 0.00 C ATOM 1074 OH TYR A 73 8.379 -9.280 6.455 1.00 0.00 O ATOM 0 H TYR A 73 7.696 -10.428 0.271 1.00 0.00 H new ATOM 0 HA TYR A 73 6.694 -7.670 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.535 -8.734 0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.031 -7.087 0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.797 -10.559 2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.910 -6.362 3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.582 -11.096 4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.663 -6.882 5.415 1.00 0.00 H new ATOM 0 HH TYR A 73 8.357 -8.436 6.953 1.00 0.00 H new ATOM 1084 N ASP A 74 7.905 -7.034 -1.874 1.00 0.00 N ATOM 1085 CA ASP A 74 8.079 -6.825 -3.317 1.00 0.00 C ATOM 1086 C ASP A 74 9.482 -6.377 -3.698 1.00 0.00 C ATOM 1087 O ASP A 74 9.823 -6.449 -4.875 1.00 0.00 O ATOM 1088 CB ASP A 74 7.083 -5.776 -3.829 1.00 0.00 C ATOM 1089 CG ASP A 74 5.622 -6.230 -3.693 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.109 -6.921 -4.606 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.987 -5.875 -2.672 1.00 0.00 O ATOM 0 H ASP A 74 8.053 -6.203 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 74 7.899 -7.795 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.224 -4.847 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.296 -5.559 -4.876 1.00 0.00 H new ATOM 1096 N VAL A 75 10.306 -5.887 -2.776 1.00 0.00 N ATOM 1097 CA VAL A 75 11.569 -5.244 -3.109 1.00 0.00 C ATOM 1098 C VAL A 75 12.579 -5.665 -2.034 1.00 0.00 C ATOM 1099 O VAL A 75 12.319 -5.541 -0.837 1.00 0.00 O ATOM 1100 CB VAL A 75 11.267 -3.738 -3.223 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.431 -2.750 -3.080 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.374 -3.371 -4.426 1.00 0.00 C ATOM 0 H VAL A 75 10.114 -5.926 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 75 12.019 -5.534 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 75 10.702 -3.594 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.058 -1.731 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.891 -2.870 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.172 -2.946 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.206 -2.294 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.867 -3.673 -5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.418 -3.887 -4.340 1.00 0.00 H new ATOM 1112 N VAL A 76 13.748 -6.157 -2.436 1.00 0.00 N ATOM 1113 CA VAL A 76 14.778 -6.626 -1.537 1.00 0.00 C ATOM 1114 C VAL A 76 16.035 -5.855 -1.878 1.00 0.00 C ATOM 1115 O VAL A 76 16.485 -5.833 -3.024 1.00 0.00 O ATOM 1116 CB VAL A 76 14.973 -8.145 -1.732 1.00 0.00 C ATOM 1117 CG1 VAL A 76 16.345 -8.670 -1.265 1.00 0.00 C ATOM 1118 CG2 VAL A 76 13.867 -8.907 -0.983 1.00 0.00 C ATOM 0 H VAL A 76 14.003 -6.239 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 76 14.516 -6.465 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 76 14.921 -8.318 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.401 -9.745 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.135 -8.171 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.470 -8.465 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.006 -9.979 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.917 -8.669 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.893 -8.614 -1.375 1.00 0.00 H new ATOM 1128 N ILE A 77 16.622 -5.276 -0.847 1.00 0.00 N ATOM 1129 CA ILE A 77 17.927 -4.685 -0.886 1.00 0.00 C ATOM 1130 C ILE A 77 18.660 -5.463 0.184 1.00 0.00 C ATOM 1131 O ILE A 77 18.475 -5.212 1.374 1.00 0.00 O ATOM 1132 CB ILE A 77 17.841 -3.189 -0.571 1.00 0.00 C ATOM 1133 CG1 ILE A 77 17.016 -2.384 -1.599 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.246 -2.599 -0.416 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.438 -2.484 -3.075 1.00 0.00 C ATOM 0 H ILE A 77 16.179 -5.207 0.069 1.00 0.00 H new ATOM 0 HA ILE A 77 18.424 -4.737 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 77 17.303 -3.102 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.977 -2.704 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 77 17.048 -1.334 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 77 19.171 -1.535 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.765 -3.105 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.803 -2.737 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.775 -1.871 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.463 -2.130 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.375 -3.522 -3.402 1.00 0.00 H new ATOM 1147 N SER A 78 19.405 -6.493 -0.184 1.00 0.00 N ATOM 1148 CA SER A 78 20.281 -7.083 0.801 1.00 0.00 C ATOM 1149 C SER A 78 21.452 -6.110 1.036 1.00 0.00 C ATOM 1150 O SER A 78 21.651 -5.151 0.287 1.00 0.00 O ATOM 1151 CB SER A 78 20.586 -8.528 0.398 1.00 0.00 C ATOM 1152 OG SER A 78 21.010 -8.645 -0.931 1.00 0.00 O ATOM 0 H SER A 78 19.421 -6.918 -1.111 1.00 0.00 H new ATOM 0 HA SER A 78 19.841 -7.203 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 78 21.357 -8.929 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.694 -9.137 0.544 1.00 0.00 H new ATOM 0 HG SER A 78 21.979 -8.790 -0.954 1.00 0.00 H new ATOM 1158 N LEU A 79 22.204 -6.281 2.114 1.00 0.00 N ATOM 1159 CA LEU A 79 23.436 -5.539 2.373 1.00 0.00 C ATOM 1160 C LEU A 79 24.448 -6.567 2.859 1.00 0.00 C ATOM 1161 O LEU A 79 25.227 -6.328 3.779 1.00 0.00 O ATOM 1162 CB LEU A 79 23.233 -4.376 3.366 1.00 0.00 C ATOM 1163 CG LEU A 79 22.375 -3.203 2.844 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.870 -3.354 3.098 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.828 -1.886 3.485 1.00 0.00 C ATOM 0 H LEU A 79 21.973 -6.951 2.848 1.00 0.00 H new ATOM 0 HA LEU A 79 23.792 -5.045 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.769 -4.769 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.211 -3.990 3.652 1.00 0.00 H new ATOM 0 HG LEU A 79 22.527 -3.204 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.345 -2.486 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.507 -4.256 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.688 -3.427 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.214 -1.068 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.719 -1.952 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.873 -1.701 3.236 1.00 0.00 H new ATOM 1177 N CYS A 80 24.370 -7.762 2.280 1.00 0.00 N ATOM 1178 CA CYS A 80 25.109 -8.940 2.672 1.00 0.00 C ATOM 1179 C CYS A 80 26.437 -9.030 1.905 1.00 0.00 C ATOM 1180 O CYS A 80 27.145 -10.029 2.031 1.00 0.00 O ATOM 1181 CB CYS A 80 24.215 -10.175 2.461 1.00 0.00 C ATOM 1182 SG CYS A 80 22.589 -9.953 3.262 1.00 0.00 S ATOM 0 H CYS A 80 23.755 -7.935 1.484 1.00 0.00 H new ATOM 0 HA CYS A 80 25.374 -8.887 3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.077 -10.350 1.394 1.00 0.00 H new ATOM 0 HB3 CYS A 80 24.707 -11.058 2.868 1.00 0.00 H new ATOM 0 HG CYS A 80 21.859 -11.010 3.063 1.00 0.00 H new ATOM 1188 N GLY A 81 26.782 -8.010 1.109 1.00 0.00 N ATOM 1189 CA GLY A 81 28.055 -7.942 0.392 1.00 0.00 C ATOM 1190 C GLY A 81 27.943 -8.500 -1.023 1.00 0.00 C ATOM 1191 O GLY A 81 28.953 -8.904 -1.598 1.00 0.00 O ATOM 0 H GLY A 81 26.179 -7.204 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.392 -6.906 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.812 -8.500 0.943 1.00 0.00 H new ATOM 1195 N CYS A 82 26.720 -8.528 -1.568 1.00 0.00 N ATOM 1196 CA CYS A 82 26.379 -9.065 -2.886 1.00 0.00 C ATOM 1197 C CYS A 82 27.010 -10.451 -3.136 1.00 0.00 C ATOM 1198 O CYS A 82 27.516 -10.730 -4.226 1.00 0.00 O ATOM 1199 CB CYS A 82 26.726 -8.003 -3.944 1.00 0.00 C ATOM 1200 SG CYS A 82 25.802 -8.273 -5.487 1.00 0.00 S ATOM 0 H CYS A 82 25.906 -8.159 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 82 25.309 -9.261 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.501 -7.011 -3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.796 -8.029 -4.150 1.00 0.00 H new ATOM 0 HG CYS A 82 26.122 -7.356 -6.351 1.00 0.00 H new ATOM 1206 N GLY A 83 27.006 -11.310 -2.108 1.00 0.00 N ATOM 1207 CA GLY A 83 27.719 -12.586 -2.112 1.00 0.00 C ATOM 1208 C GLY A 83 27.013 -13.628 -1.251 1.00 0.00 C ATOM 1209 O GLY A 83 27.677 -14.433 -0.597 1.00 0.00 O ATOM 0 H GLY A 83 26.500 -11.132 -1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.801 -12.954 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.734 -12.437 -1.744 1.00 0.00 H new ATOM 1213 N VAL A 84 25.674 -13.603 -1.229 1.00 0.00 N ATOM 1214 CA VAL A 84 24.834 -14.553 -0.516 1.00 0.00 C ATOM 1215 C VAL A 84 23.916 -15.230 -1.537 1.00 0.00 C ATOM 1216 O VAL A 84 23.264 -14.550 -2.333 1.00 0.00 O ATOM 1217 CB VAL A 84 24.090 -13.858 0.641 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.177 -14.824 1.412 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.134 -13.283 1.606 1.00 0.00 C ATOM 0 H VAL A 84 25.135 -12.894 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 84 25.428 -15.332 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 84 23.458 -13.076 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.675 -14.286 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.432 -15.240 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.775 -15.632 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 84 24.629 -12.786 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.756 -14.090 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.760 -12.564 1.078 1.00 0.00 H new ATOM 1229 N ASN A 85 23.859 -16.565 -1.513 1.00 0.00 N ATOM 1230 CA ASN A 85 22.934 -17.362 -2.320 1.00 0.00 C ATOM 1231 C ASN A 85 21.559 -17.329 -1.646 1.00 0.00 C ATOM 1232 O ASN A 85 21.135 -18.308 -1.027 1.00 0.00 O ATOM 1233 CB ASN A 85 23.451 -18.803 -2.519 1.00 0.00 C ATOM 1234 CG ASN A 85 24.632 -18.886 -3.482 1.00 0.00 C ATOM 1235 OD1 ASN A 85 24.626 -18.278 -4.551 1.00 0.00 O ATOM 1236 ND2 ASN A 85 25.674 -19.632 -3.141 1.00 0.00 N ATOM 0 H ASN A 85 24.466 -17.131 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 85 22.854 -16.936 -3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.747 -19.213 -1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.639 -19.426 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 85 26.476 -19.704 -3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 85 25.673 -20.134 -2.253 1.00 0.00 H new ATOM 1243 N LEU A 86 20.898 -16.166 -1.691 1.00 0.00 N ATOM 1244 CA LEU A 86 19.563 -15.975 -1.119 1.00 0.00 C ATOM 1245 C LEU A 86 18.579 -16.957 -1.793 1.00 0.00 C ATOM 1246 O LEU A 86 18.732 -17.215 -2.996 1.00 0.00 O ATOM 1247 CB LEU A 86 19.078 -14.526 -1.328 1.00 0.00 C ATOM 1248 CG LEU A 86 19.932 -13.424 -0.666 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.475 -12.041 -1.140 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.853 -13.458 0.863 1.00 0.00 C ATOM 0 H LEU A 86 21.278 -15.327 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 86 19.608 -16.168 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.034 -14.330 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.060 -14.446 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 86 20.963 -13.614 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.086 -11.273 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.584 -11.973 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.430 -11.891 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.472 -12.662 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.819 -13.314 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.212 -14.422 1.225 1.00 0.00 H new ATOM 1262 N PRO A 87 17.570 -17.489 -1.070 1.00 0.00 N ATOM 1263 CA PRO A 87 16.507 -18.298 -1.663 1.00 0.00 C ATOM 1264 C PRO A 87 15.812 -17.570 -2.825 1.00 0.00 C ATOM 1265 O PRO A 87 15.767 -16.339 -2.829 1.00 0.00 O ATOM 1266 CB PRO A 87 15.517 -18.601 -0.537 1.00 0.00 C ATOM 1267 CG PRO A 87 16.313 -18.384 0.751 1.00 0.00 C ATOM 1268 CD PRO A 87 17.403 -17.382 0.372 1.00 0.00 C ATOM 0 HA PRO A 87 16.918 -19.213 -2.089 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.651 -17.941 -0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.143 -19.623 -0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.678 -17.996 1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.743 -19.318 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.117 -16.369 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.336 -17.607 0.890 1.00 0.00 H new ATOM 1276 N PRO A 88 15.163 -18.282 -3.763 1.00 0.00 N ATOM 1277 CA PRO A 88 14.681 -17.671 -4.998 1.00 0.00 C ATOM 1278 C PRO A 88 13.594 -16.604 -4.811 1.00 0.00 C ATOM 1279 O PRO A 88 13.472 -15.693 -5.629 1.00 0.00 O ATOM 1280 CB PRO A 88 14.222 -18.829 -5.891 1.00 0.00 C ATOM 1281 CG PRO A 88 13.955 -19.968 -4.910 1.00 0.00 C ATOM 1282 CD PRO A 88 14.978 -19.724 -3.802 1.00 0.00 C ATOM 0 HA PRO A 88 15.488 -17.100 -5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.326 -18.568 -6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.987 -19.100 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.934 -19.940 -4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.093 -20.943 -5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.618 -20.101 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.917 -20.236 -4.014 1.00 0.00 H new ATOM 1290 N GLU A 89 12.833 -16.641 -3.717 1.00 0.00 N ATOM 1291 CA GLU A 89 11.790 -15.663 -3.443 1.00 0.00 C ATOM 1292 C GLU A 89 12.362 -14.258 -3.237 1.00 0.00 C ATOM 1293 O GLU A 89 11.674 -13.256 -3.435 1.00 0.00 O ATOM 1294 CB GLU A 89 10.978 -16.116 -2.229 1.00 0.00 C ATOM 1295 CG GLU A 89 11.811 -16.458 -0.988 1.00 0.00 C ATOM 1296 CD GLU A 89 10.903 -16.838 0.187 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.152 -15.950 0.644 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.963 -18.001 0.660 1.00 0.00 O ATOM 0 H GLU A 89 12.926 -17.355 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 89 11.134 -15.604 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.271 -15.329 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.392 -16.992 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.486 -17.283 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.431 -15.604 -0.714 1.00 0.00 H new ATOM 1305 N TRP A 90 13.635 -14.182 -2.850 1.00 0.00 N ATOM 1306 CA TRP A 90 14.371 -12.945 -2.675 1.00 0.00 C ATOM 1307 C TRP A 90 14.743 -12.280 -4.005 1.00 0.00 C ATOM 1308 O TRP A 90 15.141 -11.119 -3.980 1.00 0.00 O ATOM 1309 CB TRP A 90 15.617 -13.206 -1.818 1.00 0.00 C ATOM 1310 CG TRP A 90 15.338 -13.594 -0.386 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.999 -14.818 0.080 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.277 -12.731 0.782 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.716 -14.754 1.433 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.817 -13.469 1.906 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.442 -11.353 0.961 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.518 -12.857 3.136 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.151 -10.717 2.175 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.689 -11.466 3.270 1.00 0.00 C ATOM 0 H TRP A 90 14.194 -15.010 -2.645 1.00 0.00 H new ATOM 0 HA TRP A 90 13.717 -12.240 -2.161 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.202 -13.998 -2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.236 -12.309 -1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.955 -15.716 -0.518 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.464 -15.559 2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.806 -10.760 0.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.162 -13.447 3.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.282 -9.649 2.269 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.467 -10.978 4.208 1.00 0.00 H new ATOM 1329 N VAL A 91 14.589 -12.957 -5.153 1.00 0.00 N ATOM 1330 CA VAL A 91 14.990 -12.438 -6.455 1.00 0.00 C ATOM 1331 C VAL A 91 13.812 -12.291 -7.425 1.00 0.00 C ATOM 1332 O VAL A 91 13.934 -11.575 -8.418 1.00 0.00 O ATOM 1333 CB VAL A 91 16.165 -13.246 -7.047 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.381 -13.244 -6.105 1.00 0.00 C ATOM 1335 CG2 VAL A 91 15.850 -14.703 -7.391 1.00 0.00 C ATOM 0 H VAL A 91 14.178 -13.889 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 91 15.356 -11.424 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 91 16.379 -12.727 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.189 -13.822 -6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.714 -12.219 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.102 -13.690 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.740 -15.181 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.536 -15.230 -6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.049 -14.738 -8.129 1.00 0.00 H new ATOM 1345 N THR A 92 12.658 -12.899 -7.138 1.00 0.00 N ATOM 1346 CA THR A 92 11.446 -12.772 -7.956 1.00 0.00 C ATOM 1347 C THR A 92 10.724 -11.431 -7.717 1.00 0.00 C ATOM 1348 O THR A 92 9.817 -11.047 -8.460 1.00 0.00 O ATOM 1349 CB THR A 92 10.559 -13.989 -7.669 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.407 -14.159 -6.268 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.241 -15.234 -8.242 1.00 0.00 C ATOM 0 H THR A 92 12.536 -13.500 -6.323 1.00 0.00 H new ATOM 0 HA THR A 92 11.706 -12.760 -9.014 1.00 0.00 H new ATOM 0 HB THR A 92 9.579 -13.840 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.838 -14.937 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.623 -16.110 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.372 -15.115 -9.318 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.215 -15.365 -7.771 1.00 0.00 H new ATOM 1359 N GLN A 93 11.160 -10.723 -6.672 1.00 0.00 N ATOM 1360 CA GLN A 93 10.865 -9.365 -6.294 1.00 0.00 C ATOM 1361 C GLN A 93 10.990 -8.414 -7.498 1.00 0.00 C ATOM 1362 O GLN A 93 11.749 -8.663 -8.439 1.00 0.00 O ATOM 1363 CB GLN A 93 11.936 -9.013 -5.250 1.00 0.00 C ATOM 1364 CG GLN A 93 12.037 -9.917 -4.019 1.00 0.00 C ATOM 1365 CD GLN A 93 10.820 -9.846 -3.122 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.588 -8.860 -2.433 1.00 0.00 O ATOM 1367 NE2 GLN A 93 10.043 -10.907 -3.084 1.00 0.00 N ATOM 0 H GLN A 93 11.801 -11.150 -6.003 1.00 0.00 H new ATOM 0 HA GLN A 93 9.847 -9.266 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.906 -9.011 -5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.752 -7.995 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.180 -10.947 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.920 -9.639 -3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.256 -11.716 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.227 -10.920 -2.472 1.00 0.00 H new ATOM 1376 N GLU A 94 10.301 -7.276 -7.428 1.00 0.00 N ATOM 1377 CA GLU A 94 10.405 -6.167 -8.347 1.00 0.00 C ATOM 1378 C GLU A 94 11.813 -5.561 -8.276 1.00 0.00 C ATOM 1379 O GLU A 94 12.386 -5.219 -9.312 1.00 0.00 O ATOM 1380 CB GLU A 94 9.284 -5.174 -7.982 1.00 0.00 C ATOM 1381 CG GLU A 94 9.555 -3.721 -8.362 1.00 0.00 C ATOM 1382 CD GLU A 94 9.711 -3.460 -9.876 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.159 -4.226 -10.704 1.00 0.00 O ATOM 1384 OE2 GLU A 94 10.355 -2.449 -10.245 1.00 0.00 O ATOM 0 H GLU A 94 9.622 -7.104 -6.686 1.00 0.00 H new ATOM 0 HA GLU A 94 10.272 -6.473 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.363 -5.495 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.110 -5.226 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.739 -3.104 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.463 -3.392 -7.857 1.00 0.00 H new ATOM 1391 N ILE A 95 12.394 -5.482 -7.073 1.00 0.00 N ATOM 1392 CA ILE A 95 13.770 -5.051 -6.870 1.00 0.00 C ATOM 1393 C ILE A 95 14.527 -6.157 -6.147 1.00 0.00 C ATOM 1394 O ILE A 95 14.039 -6.709 -5.162 1.00 0.00 O ATOM 1395 CB ILE A 95 13.804 -3.706 -6.090 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.761 -2.508 -7.059 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.044 -3.526 -5.204 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.006 -1.276 -6.545 1.00 0.00 C ATOM 0 H ILE A 95 11.911 -5.720 -6.207 1.00 0.00 H new ATOM 0 HA ILE A 95 14.258 -4.871 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 95 12.924 -3.740 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.784 -2.215 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.300 -2.833 -7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.991 -2.564 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.082 -4.326 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.941 -3.560 -5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.034 -0.491 -7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.970 -1.544 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.477 -0.916 -5.630 1.00 0.00 H new ATOM 1410 N PHE A 96 15.722 -6.453 -6.646 1.00 0.00 N ATOM 1411 CA PHE A 96 16.713 -7.267 -5.979 1.00 0.00 C ATOM 1412 C PHE A 96 18.032 -6.598 -6.348 1.00 0.00 C ATOM 1413 O PHE A 96 18.443 -6.589 -7.512 1.00 0.00 O ATOM 1414 CB PHE A 96 16.704 -8.765 -6.297 1.00 0.00 C ATOM 1415 CG PHE A 96 18.014 -9.407 -5.845 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.491 -9.187 -4.534 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.828 -10.092 -6.770 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.771 -9.629 -4.158 1.00 0.00 C ATOM 1419 CE2 PHE A 96 20.092 -10.570 -6.378 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.564 -10.338 -5.074 1.00 0.00 C ATOM 0 H PHE A 96 16.031 -6.118 -7.558 1.00 0.00 H new ATOM 0 HA PHE A 96 16.509 -7.295 -4.909 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.863 -9.246 -5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.567 -8.916 -7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.868 -8.676 -3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.481 -10.250 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.144 -9.423 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.702 -11.117 -7.081 1.00 0.00 H new ATOM 0 HZ PHE A 96 21.536 -10.705 -4.777 1.00 0.00 H new ATOM 1430 N GLU A 97 18.654 -6.010 -5.341 1.00 0.00 N ATOM 1431 CA GLU A 97 19.978 -5.422 -5.364 1.00 0.00 C ATOM 1432 C GLU A 97 20.624 -5.828 -4.037 1.00 0.00 C ATOM 1433 O GLU A 97 19.946 -6.310 -3.123 1.00 0.00 O ATOM 1434 CB GLU A 97 19.870 -3.889 -5.446 1.00 0.00 C ATOM 1435 CG GLU A 97 19.635 -3.323 -6.847 1.00 0.00 C ATOM 1436 CD GLU A 97 19.324 -1.815 -6.792 1.00 0.00 C ATOM 1437 OE1 GLU A 97 20.147 -1.040 -6.247 1.00 0.00 O ATOM 1438 OE2 GLU A 97 18.260 -1.394 -7.314 1.00 0.00 O ATOM 0 H GLU A 97 18.215 -5.926 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 97 20.560 -5.758 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.055 -3.564 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.786 -3.455 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.517 -3.493 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.808 -3.851 -7.322 1.00 0.00 H new ATOM 1445 N ASP A 98 21.923 -5.565 -3.908 1.00 0.00 N ATOM 1446 CA ASP A 98 22.623 -5.692 -2.635 1.00 0.00 C ATOM 1447 C ASP A 98 23.535 -4.492 -2.456 1.00 0.00 C ATOM 1448 O ASP A 98 24.534 -4.331 -3.166 1.00 0.00 O ATOM 1449 CB ASP A 98 23.369 -7.014 -2.489 1.00 0.00 C ATOM 1450 CG ASP A 98 23.971 -7.172 -1.088 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.944 -6.481 -0.719 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.521 -8.091 -0.371 1.00 0.00 O ATOM 0 H ASP A 98 22.516 -5.260 -4.680 1.00 0.00 H new ATOM 0 HA ASP A 98 21.883 -5.705 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.687 -7.841 -2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 98 24.162 -7.069 -3.235 1.00 0.00 H new ATOM 1457 N TRP A 99 23.159 -3.607 -1.538 1.00 0.00 N ATOM 1458 CA TRP A 99 23.921 -2.427 -1.174 1.00 0.00 C ATOM 1459 C TRP A 99 24.995 -2.862 -0.185 1.00 0.00 C ATOM 1460 O TRP A 99 24.956 -2.540 0.998 1.00 0.00 O ATOM 1461 CB TRP A 99 22.994 -1.310 -0.671 1.00 0.00 C ATOM 1462 CG TRP A 99 21.981 -0.806 -1.660 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.888 -1.111 -2.978 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.821 0.027 -1.376 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.743 -0.554 -3.509 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.993 0.068 -2.539 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.346 0.671 -0.212 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.709 0.631 -2.516 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.057 1.231 -0.183 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.237 1.179 -1.317 1.00 0.00 C ATOM 0 H TRP A 99 22.289 -3.698 -1.014 1.00 0.00 H new ATOM 0 HA TRP A 99 24.423 -1.986 -2.035 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.465 -1.672 0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.610 -0.470 -0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.604 -1.702 -3.530 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.486 -0.598 -4.495 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.978 0.734 0.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 18.096 0.642 -3.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.697 1.704 0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.230 1.566 -1.266 1.00 0.00 H new ATOM 1481 N GLN A 100 25.965 -3.594 -0.721 1.00 0.00 N ATOM 1482 CA GLN A 100 27.248 -4.048 -0.182 1.00 0.00 C ATOM 1483 C GLN A 100 28.126 -2.958 0.488 1.00 0.00 C ATOM 1484 O GLN A 100 29.322 -3.166 0.675 1.00 0.00 O ATOM 1485 CB GLN A 100 27.999 -4.656 -1.382 1.00 0.00 C ATOM 1486 CG GLN A 100 28.246 -3.682 -2.559 1.00 0.00 C ATOM 1487 CD GLN A 100 28.292 -4.416 -3.901 1.00 0.00 C ATOM 1488 OE1 GLN A 100 29.359 -4.763 -4.402 1.00 0.00 O ATOM 1489 NE2 GLN A 100 27.141 -4.677 -4.508 1.00 0.00 N ATOM 0 H GLN A 100 25.856 -3.931 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 100 27.048 -4.748 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.960 -5.035 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.433 -5.512 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 100 27.456 -2.931 -2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.185 -3.152 -2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 100 26.262 -4.384 -4.082 1.00 0.00 H new ATOM 0 HE22 GLN A 100 27.136 -5.171 -5.400 1.00 0.00 H new ATOM 1498 N LEU A 101 27.574 -1.782 0.785 1.00 0.00 N ATOM 1499 CA LEU A 101 28.286 -0.580 1.198 1.00 0.00 C ATOM 1500 C LEU A 101 29.085 -0.783 2.484 1.00 0.00 C ATOM 1501 O LEU A 101 28.499 -1.092 3.520 1.00 0.00 O ATOM 1502 CB LEU A 101 27.276 0.581 1.411 1.00 0.00 C ATOM 1503 CG LEU A 101 26.955 1.483 0.204 1.00 0.00 C ATOM 1504 CD1 LEU A 101 28.134 2.407 -0.120 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.589 0.683 -1.053 1.00 0.00 C ATOM 0 H LEU A 101 26.565 -1.638 0.741 1.00 0.00 H new ATOM 0 HA LEU A 101 28.991 -0.339 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.340 0.150 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.658 1.215 2.211 1.00 0.00 H new ATOM 0 HG LEU A 101 26.087 2.075 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.881 3.033 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.348 3.039 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 101 29.012 1.807 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.373 1.370 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.424 0.039 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.710 0.071 -0.851 1.00 0.00 H new ATOM 1517 N GLU A 102 30.386 -0.494 2.416 1.00 0.00 N ATOM 1518 CA GLU A 102 31.328 -0.393 3.523 1.00 0.00 C ATOM 1519 C GLU A 102 31.283 -1.569 4.526 1.00 0.00 C ATOM 1520 O GLU A 102 30.841 -2.671 4.201 1.00 0.00 O ATOM 1521 CB GLU A 102 31.181 1.024 4.136 1.00 0.00 C ATOM 1522 CG GLU A 102 32.463 1.853 3.967 1.00 0.00 C ATOM 1523 CD GLU A 102 33.669 1.227 4.690 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.563 0.962 5.910 1.00 0.00 O ATOM 1525 OE2 GLU A 102 34.713 0.989 4.034 1.00 0.00 O ATOM 0 H GLU A 102 30.837 -0.312 1.520 1.00 0.00 H new ATOM 0 HA GLU A 102 32.345 -0.504 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.348 1.541 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.940 0.939 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.691 1.952 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 102 32.295 2.859 4.352 1.00 0.00 H new ATOM 1532 N ASP A 103 31.825 -1.355 5.724 1.00 0.00 N ATOM 1533 CA ASP A 103 31.909 -2.274 6.861 1.00 0.00 C ATOM 1534 C ASP A 103 32.058 -1.421 8.134 1.00 0.00 C ATOM 1535 O ASP A 103 33.167 -1.197 8.630 1.00 0.00 O ATOM 1536 CB ASP A 103 33.072 -3.262 6.700 1.00 0.00 C ATOM 1537 CG ASP A 103 33.261 -4.125 7.960 1.00 0.00 C ATOM 1538 OD1 ASP A 103 32.265 -4.465 8.648 1.00 0.00 O ATOM 1539 OD2 ASP A 103 34.419 -4.519 8.234 1.00 0.00 O ATOM 0 H ASP A 103 32.254 -0.456 5.944 1.00 0.00 H new ATOM 0 HA ASP A 103 31.007 -2.883 6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.886 -3.907 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.991 -2.713 6.493 1.00 0.00 H new ATOM 1544 N PRO A 104 30.948 -0.833 8.626 1.00 0.00 N ATOM 1545 CA PRO A 104 30.990 0.122 9.725 1.00 0.00 C ATOM 1546 C PRO A 104 31.159 -0.547 11.093 1.00 0.00 C ATOM 1547 O PRO A 104 31.498 0.164 12.028 1.00 0.00 O ATOM 1548 CB PRO A 104 29.666 0.886 9.647 1.00 0.00 C ATOM 1549 CG PRO A 104 28.713 -0.167 9.082 1.00 0.00 C ATOM 1550 CD PRO A 104 29.588 -0.979 8.128 1.00 0.00 C ATOM 0 HA PRO A 104 31.856 0.777 9.628 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.344 1.242 10.626 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.738 1.759 8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.295 -0.792 9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.873 0.293 8.561 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.286 -2.026 8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.503 -0.609 7.106 1.00 0.00 H new ATOM 1558 N ASP A 105 30.946 -1.869 11.204 1.00 0.00 N ATOM 1559 CA ASP A 105 31.065 -2.698 12.413 1.00 0.00 C ATOM 1560 C ASP A 105 30.813 -1.911 13.712 1.00 0.00 C ATOM 1561 O ASP A 105 29.665 -1.587 14.020 1.00 0.00 O ATOM 1562 CB ASP A 105 32.428 -3.411 12.407 1.00 0.00 C ATOM 1563 CG ASP A 105 32.604 -4.326 13.638 1.00 0.00 C ATOM 1564 OD1 ASP A 105 31.610 -4.917 14.118 1.00 0.00 O ATOM 1565 OD2 ASP A 105 33.750 -4.428 14.135 1.00 0.00 O ATOM 0 H ASP A 105 30.667 -2.424 10.395 1.00 0.00 H new ATOM 0 HA ASP A 105 30.276 -3.450 12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 105 32.524 -4.004 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 105 33.226 -2.669 12.389 1.00 0.00 H new ATOM 1570 N GLY A 106 31.882 -1.543 14.419 1.00 0.00 N ATOM 1571 CA GLY A 106 31.899 -0.657 15.577 1.00 0.00 C ATOM 1572 C GLY A 106 33.010 0.384 15.406 1.00 0.00 C ATOM 1573 O GLY A 106 33.807 0.606 16.321 1.00 0.00 O ATOM 0 H GLY A 106 32.816 -1.878 14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 106 30.934 -0.161 15.683 1.00 0.00 H new ATOM 0 HA3 GLY A 106 32.063 -1.234 16.487 1.00 0.00 H new ATOM 1577 N GLN A 107 33.119 0.938 14.192 1.00 0.00 N ATOM 1578 CA GLN A 107 34.110 1.932 13.791 1.00 0.00 C ATOM 1579 C GLN A 107 33.909 3.280 14.491 1.00 0.00 C ATOM 1580 O GLN A 107 33.031 3.460 15.339 1.00 0.00 O ATOM 1581 CB GLN A 107 34.086 2.102 12.253 1.00 0.00 C ATOM 1582 CG GLN A 107 34.748 0.906 11.548 1.00 0.00 C ATOM 1583 CD GLN A 107 35.505 1.349 10.296 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.531 2.020 10.383 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.023 1.018 9.115 1.00 0.00 N ATOM 0 H GLN A 107 32.487 0.691 13.431 1.00 0.00 H new ATOM 0 HA GLN A 107 35.089 1.566 14.102 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.056 2.203 11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.604 3.021 11.978 1.00 0.00 H new ATOM 0 HG2 GLN A 107 35.435 0.411 12.235 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.987 0.175 11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.171 0.461 9.050 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.502 1.319 8.266 1.00 0.00 H new ATOM 1594 N SER A 108 34.755 4.235 14.098 1.00 0.00 N ATOM 1595 CA SER A 108 34.660 5.628 14.496 1.00 0.00 C ATOM 1596 C SER A 108 33.308 6.182 14.041 1.00 0.00 C ATOM 1597 O SER A 108 32.756 5.732 13.028 1.00 0.00 O ATOM 1598 CB SER A 108 35.828 6.421 13.879 1.00 0.00 C ATOM 1599 OG SER A 108 37.068 5.765 14.130 1.00 0.00 O ATOM 0 H SER A 108 35.543 4.049 13.478 1.00 0.00 H new ATOM 0 HA SER A 108 34.727 5.720 15.580 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.676 6.525 12.805 1.00 0.00 H new ATOM 0 HB3 SER A 108 35.852 7.428 14.297 1.00 0.00 H new ATOM 0 HG SER A 108 37.798 6.282 13.730 1.00 0.00 H new ATOM 1605 N LEU A 109 32.812 7.212 14.734 1.00 0.00 N ATOM 1606 CA LEU A 109 31.545 7.863 14.396 1.00 0.00 C ATOM 1607 C LEU A 109 31.557 8.370 12.961 1.00 0.00 C ATOM 1608 O LEU A 109 30.522 8.382 12.316 1.00 0.00 O ATOM 1609 CB LEU A 109 31.234 9.034 15.348 1.00 0.00 C ATOM 1610 CG LEU A 109 30.957 8.672 16.821 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.386 9.899 17.546 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.007 7.480 16.994 1.00 0.00 C ATOM 0 H LEU A 109 33.279 7.617 15.545 1.00 0.00 H new ATOM 0 HA LEU A 109 30.765 7.110 14.505 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.074 9.728 15.320 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.367 9.568 14.960 1.00 0.00 H new ATOM 0 HG LEU A 109 31.910 8.370 17.256 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.189 9.647 18.588 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.106 10.716 17.500 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.457 10.206 17.065 1.00 0.00 H new ATOM 0 HD21 LEU A 109 29.859 7.284 18.056 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.048 7.709 16.530 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.438 6.599 16.519 1.00 0.00 H new ATOM 1624 N GLU A 110 32.720 8.747 12.433 1.00 0.00 N ATOM 1625 CA GLU A 110 32.835 9.234 11.066 1.00 0.00 C ATOM 1626 C GLU A 110 32.419 8.166 10.074 1.00 0.00 C ATOM 1627 O GLU A 110 31.726 8.493 9.109 1.00 0.00 O ATOM 1628 CB GLU A 110 34.265 9.672 10.766 1.00 0.00 C ATOM 1629 CG GLU A 110 34.601 10.925 11.568 1.00 0.00 C ATOM 1630 CD GLU A 110 35.979 11.502 11.194 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.003 11.061 11.770 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.045 12.404 10.324 1.00 0.00 O ATOM 0 H GLU A 110 33.604 8.722 12.941 1.00 0.00 H new ATOM 0 HA GLU A 110 32.169 10.091 10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 110 34.961 8.871 11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.378 9.870 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.834 11.680 11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.584 10.689 12.632 1.00 0.00 H new ATOM 1639 N VAL A 111 32.789 6.898 10.286 1.00 0.00 N ATOM 1640 CA VAL A 111 32.381 5.877 9.349 1.00 0.00 C ATOM 1641 C VAL A 111 30.895 5.611 9.528 1.00 0.00 C ATOM 1642 O VAL A 111 30.197 5.561 8.520 1.00 0.00 O ATOM 1643 CB VAL A 111 33.274 4.626 9.435 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.845 3.640 8.338 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.750 5.002 9.215 1.00 0.00 C ATOM 0 H VAL A 111 33.351 6.574 11.073 1.00 0.00 H new ATOM 0 HA VAL A 111 32.524 6.226 8.326 1.00 0.00 H new ATOM 0 HB VAL A 111 33.166 4.177 10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.469 2.748 8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.802 3.361 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.959 4.110 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.367 4.106 9.279 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.867 5.454 8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.062 5.713 9.980 1.00 0.00 H new ATOM 1655 N PHE A 112 30.375 5.553 10.760 1.00 0.00 N ATOM 1656 CA PHE A 112 28.921 5.524 10.958 1.00 0.00 C ATOM 1657 C PHE A 112 28.233 6.641 10.149 1.00 0.00 C ATOM 1658 O PHE A 112 27.347 6.347 9.350 1.00 0.00 O ATOM 1659 CB PHE A 112 28.543 5.614 12.443 1.00 0.00 C ATOM 1660 CG PHE A 112 28.567 4.304 13.210 1.00 0.00 C ATOM 1661 CD1 PHE A 112 29.755 3.842 13.808 1.00 0.00 C ATOM 1662 CD2 PHE A 112 27.379 3.561 13.363 1.00 0.00 C ATOM 1663 CE1 PHE A 112 29.756 2.645 14.541 1.00 0.00 C ATOM 1664 CE2 PHE A 112 27.379 2.370 14.110 1.00 0.00 C ATOM 1665 CZ PHE A 112 28.571 1.905 14.691 1.00 0.00 C ATOM 0 H PHE A 112 30.926 5.526 11.618 1.00 0.00 H new ATOM 0 HA PHE A 112 28.564 4.562 10.590 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.224 6.312 12.931 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.542 6.040 12.519 1.00 0.00 H new ATOM 0 HD1 PHE A 112 30.668 4.410 13.702 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.465 3.908 12.904 1.00 0.00 H new ATOM 0 HE1 PHE A 112 30.672 2.291 14.992 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.463 1.812 14.237 1.00 0.00 H new ATOM 0 HZ PHE A 112 28.576 0.982 15.251 1.00 0.00 H new ATOM 1675 N ARG A 113 28.680 7.901 10.276 1.00 0.00 N ATOM 1676 CA ARG A 113 28.103 9.044 9.551 1.00 0.00 C ATOM 1677 C ARG A 113 28.195 8.849 8.046 1.00 0.00 C ATOM 1678 O ARG A 113 27.233 9.118 7.328 1.00 0.00 O ATOM 1679 CB ARG A 113 28.831 10.359 9.894 1.00 0.00 C ATOM 1680 CG ARG A 113 28.569 10.900 11.306 1.00 0.00 C ATOM 1681 CD ARG A 113 29.182 12.294 11.484 1.00 0.00 C ATOM 1682 NE ARG A 113 28.793 12.876 12.781 1.00 0.00 N ATOM 1683 CZ ARG A 113 29.579 13.521 13.653 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.870 13.746 13.397 1.00 0.00 N ATOM 1685 NH2 ARG A 113 29.052 13.935 14.797 1.00 0.00 N ATOM 0 H ARG A 113 29.455 8.156 10.887 1.00 0.00 H new ATOM 0 HA ARG A 113 27.060 9.103 9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.903 10.204 9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.536 11.119 9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.495 10.945 11.488 1.00 0.00 H new ATOM 0 HG3 ARG A 113 28.989 10.217 12.044 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.268 12.229 11.421 1.00 0.00 H new ATOM 0 HD3 ARG A 113 28.854 12.946 10.675 1.00 0.00 H new ATOM 0 HE ARG A 113 27.813 12.776 13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 113 31.280 13.424 12.520 1.00 0.00 H new ATOM 0 HH12 ARG A 113 31.447 14.240 14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.067 13.760 14.998 1.00 0.00 H new ATOM 0 HH22 ARG A 113 29.631 14.428 15.476 1.00 0.00 H new ATOM 1699 N THR A 114 29.354 8.410 7.569 1.00 0.00 N ATOM 1700 CA THR A 114 29.623 8.347 6.146 1.00 0.00 C ATOM 1701 C THR A 114 28.766 7.245 5.530 1.00 0.00 C ATOM 1702 O THR A 114 28.122 7.466 4.507 1.00 0.00 O ATOM 1703 CB THR A 114 31.125 8.109 5.915 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.878 9.167 6.482 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.477 8.012 4.428 1.00 0.00 C ATOM 0 H THR A 114 30.125 8.091 8.156 1.00 0.00 H new ATOM 0 HA THR A 114 29.364 9.289 5.663 1.00 0.00 H new ATOM 0 HB THR A 114 31.369 7.160 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.926 9.050 7.454 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.548 7.844 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.931 7.182 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.202 8.941 3.928 1.00 0.00 H new ATOM 1713 N VAL A 115 28.715 6.071 6.161 1.00 0.00 N ATOM 1714 CA VAL A 115 28.065 4.906 5.567 1.00 0.00 C ATOM 1715 C VAL A 115 26.568 5.181 5.552 1.00 0.00 C ATOM 1716 O VAL A 115 25.916 4.992 4.534 1.00 0.00 O ATOM 1717 CB VAL A 115 28.469 3.633 6.332 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.760 2.379 5.794 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.976 3.423 6.153 1.00 0.00 C ATOM 0 H VAL A 115 29.117 5.904 7.084 1.00 0.00 H new ATOM 0 HA VAL A 115 28.382 4.732 4.539 1.00 0.00 H new ATOM 0 HB VAL A 115 28.187 3.769 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 115 28.078 1.507 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.681 2.502 5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 115 28.017 2.238 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 115 30.284 2.525 6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 115 30.204 3.311 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.513 4.284 6.550 1.00 0.00 H new ATOM 1729 N ARG A 116 26.046 5.746 6.643 1.00 0.00 N ATOM 1730 CA ARG A 116 24.691 6.279 6.739 1.00 0.00 C ATOM 1731 C ARG A 116 24.380 7.177 5.542 1.00 0.00 C ATOM 1732 O ARG A 116 23.405 6.922 4.847 1.00 0.00 O ATOM 1733 CB ARG A 116 24.648 7.003 8.092 1.00 0.00 C ATOM 1734 CG ARG A 116 23.473 7.929 8.395 1.00 0.00 C ATOM 1735 CD ARG A 116 23.853 8.807 9.588 1.00 0.00 C ATOM 1736 NE ARG A 116 24.515 10.062 9.162 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.935 11.050 9.965 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.722 11.002 11.268 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.593 12.087 9.461 1.00 0.00 N ATOM 0 H ARG A 116 26.574 5.847 7.510 1.00 0.00 H new ATOM 0 HA ARG A 116 23.919 5.510 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.679 6.244 8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.562 7.590 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.242 8.546 7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.579 7.348 8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.958 9.046 10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.518 8.252 10.250 1.00 0.00 H new ATOM 0 HE ARG A 116 24.666 10.186 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.232 10.206 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.047 11.761 11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.781 12.134 8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.911 12.837 10.075 1.00 0.00 H new ATOM 1753 N GLY A 117 25.203 8.184 5.251 1.00 0.00 N ATOM 1754 CA GLY A 117 24.916 9.100 4.149 1.00 0.00 C ATOM 1755 C GLY A 117 24.898 8.385 2.799 1.00 0.00 C ATOM 1756 O GLY A 117 24.006 8.608 1.982 1.00 0.00 O ATOM 0 H GLY A 117 26.065 8.385 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 117 23.952 9.579 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.666 9.891 4.130 1.00 0.00 H new ATOM 1760 N GLN A 118 25.826 7.455 2.575 1.00 0.00 N ATOM 1761 CA GLN A 118 25.888 6.687 1.335 1.00 0.00 C ATOM 1762 C GLN A 118 24.660 5.791 1.182 1.00 0.00 C ATOM 1763 O GLN A 118 24.090 5.678 0.094 1.00 0.00 O ATOM 1764 CB GLN A 118 27.193 5.884 1.305 1.00 0.00 C ATOM 1765 CG GLN A 118 28.398 6.836 1.286 1.00 0.00 C ATOM 1766 CD GLN A 118 29.746 6.114 1.440 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.864 5.097 2.119 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.801 6.633 0.827 1.00 0.00 N ATOM 0 H GLN A 118 26.554 7.214 3.248 1.00 0.00 H new ATOM 0 HA GLN A 118 25.882 7.368 0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.248 5.232 2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.213 5.241 0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.397 7.393 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.290 7.564 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.699 7.477 0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.714 6.188 0.918 1.00 0.00 H new ATOM 1777 N VAL A 119 24.201 5.208 2.291 1.00 0.00 N ATOM 1778 CA VAL A 119 22.959 4.447 2.323 1.00 0.00 C ATOM 1779 C VAL A 119 21.806 5.395 1.980 1.00 0.00 C ATOM 1780 O VAL A 119 20.937 5.007 1.211 1.00 0.00 O ATOM 1781 CB VAL A 119 22.774 3.776 3.703 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.369 3.197 3.911 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.776 2.622 3.885 1.00 0.00 C ATOM 0 H VAL A 119 24.682 5.252 3.189 1.00 0.00 H new ATOM 0 HA VAL A 119 22.982 3.643 1.587 1.00 0.00 H new ATOM 0 HB VAL A 119 22.940 4.568 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.306 2.741 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.631 3.995 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.170 2.443 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.629 2.163 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.617 1.876 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.793 3.009 3.815 1.00 0.00 H new ATOM 1793 N LYS A 120 21.785 6.631 2.496 1.00 0.00 N ATOM 1794 CA LYS A 120 20.641 7.522 2.306 1.00 0.00 C ATOM 1795 C LYS A 120 20.394 7.813 0.832 1.00 0.00 C ATOM 1796 O LYS A 120 19.243 7.852 0.404 1.00 0.00 O ATOM 1797 CB LYS A 120 20.754 8.789 3.178 1.00 0.00 C ATOM 1798 CG LYS A 120 21.405 10.071 2.602 1.00 0.00 C ATOM 1799 CD LYS A 120 20.544 11.312 2.895 1.00 0.00 C ATOM 1800 CE LYS A 120 19.244 11.347 2.062 1.00 0.00 C ATOM 1801 NZ LYS A 120 19.393 12.078 0.780 1.00 0.00 N ATOM 0 H LYS A 120 22.545 7.032 3.045 1.00 0.00 H new ATOM 0 HA LYS A 120 19.749 7.003 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.746 9.053 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.312 8.517 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.397 10.203 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.537 9.963 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.292 11.332 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 120 21.127 12.210 2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.924 10.326 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.455 11.815 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.588 11.857 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 19.418 13.101 0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 20.278 11.789 0.316 1.00 0.00 H new ATOM 1815 N GLU A 121 21.458 7.974 0.049 1.00 0.00 N ATOM 1816 CA GLU A 121 21.330 8.203 -1.378 1.00 0.00 C ATOM 1817 C GLU A 121 20.811 6.945 -2.056 1.00 0.00 C ATOM 1818 O GLU A 121 19.932 7.045 -2.909 1.00 0.00 O ATOM 1819 CB GLU A 121 22.675 8.604 -2.009 1.00 0.00 C ATOM 1820 CG GLU A 121 23.212 9.963 -1.547 1.00 0.00 C ATOM 1821 CD GLU A 121 22.231 11.108 -1.840 1.00 0.00 C ATOM 1822 OE1 GLU A 121 22.273 11.684 -2.953 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.403 11.431 -0.956 1.00 0.00 O ATOM 0 H GLU A 121 22.420 7.949 0.386 1.00 0.00 H new ATOM 0 HA GLU A 121 20.627 9.023 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.414 7.837 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.563 8.621 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.415 9.926 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 121 24.161 10.164 -2.044 1.00 0.00 H new ATOM 1830 N ARG A 122 21.309 5.756 -1.695 1.00 0.00 N ATOM 1831 CA ARG A 122 20.806 4.527 -2.309 1.00 0.00 C ATOM 1832 C ARG A 122 19.348 4.281 -1.934 1.00 0.00 C ATOM 1833 O ARG A 122 18.558 3.960 -2.819 1.00 0.00 O ATOM 1834 CB ARG A 122 21.703 3.331 -1.990 1.00 0.00 C ATOM 1835 CG ARG A 122 23.069 3.451 -2.693 1.00 0.00 C ATOM 1836 CD ARG A 122 23.586 2.072 -3.105 1.00 0.00 C ATOM 1837 NE ARG A 122 24.788 2.188 -3.957 1.00 0.00 N ATOM 1838 CZ ARG A 122 25.073 1.455 -5.047 1.00 0.00 C ATOM 1839 NH1 ARG A 122 24.224 0.533 -5.495 1.00 0.00 N ATOM 1840 NH2 ARG A 122 26.218 1.654 -5.688 1.00 0.00 N ATOM 0 H ARG A 122 22.042 5.622 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 122 20.837 4.655 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.851 3.262 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.210 2.411 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.977 4.088 -3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.786 3.930 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.822 1.488 -2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.806 1.533 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 122 25.471 2.897 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 122 23.341 0.374 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.456 -0.014 -6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 122 26.874 2.359 -5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 122 26.442 1.102 -6.516 1.00 0.00 H new ATOM 1854 N VAL A 123 18.961 4.533 -0.682 1.00 0.00 N ATOM 1855 CA VAL A 123 17.577 4.485 -0.255 1.00 0.00 C ATOM 1856 C VAL A 123 16.761 5.405 -1.151 1.00 0.00 C ATOM 1857 O VAL A 123 15.779 4.969 -1.746 1.00 0.00 O ATOM 1858 CB VAL A 123 17.495 4.861 1.237 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.060 5.109 1.668 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.068 3.779 2.157 1.00 0.00 C ATOM 0 H VAL A 123 19.612 4.778 0.064 1.00 0.00 H new ATOM 0 HA VAL A 123 17.161 3.482 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 123 18.091 5.768 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.038 5.372 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.640 5.927 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.470 4.207 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.982 4.101 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.513 2.852 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.118 3.613 1.914 1.00 0.00 H new ATOM 1870 N GLU A 124 17.184 6.653 -1.308 1.00 0.00 N ATOM 1871 CA GLU A 124 16.440 7.627 -2.075 1.00 0.00 C ATOM 1872 C GLU A 124 16.361 7.245 -3.558 1.00 0.00 C ATOM 1873 O GLU A 124 15.329 7.462 -4.192 1.00 0.00 O ATOM 1874 CB GLU A 124 17.072 8.984 -1.806 1.00 0.00 C ATOM 1875 CG GLU A 124 16.240 10.117 -2.390 1.00 0.00 C ATOM 1876 CD GLU A 124 16.837 11.504 -2.078 1.00 0.00 C ATOM 1877 OE1 GLU A 124 17.218 11.769 -0.910 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.920 12.346 -3.005 1.00 0.00 O ATOM 0 H GLU A 124 18.050 7.011 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 124 15.395 7.663 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.180 9.129 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.074 9.010 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.166 9.991 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.227 10.063 -1.992 1.00 0.00 H new ATOM 1885 N ASN A 125 17.401 6.609 -4.097 1.00 0.00 N ATOM 1886 CA ASN A 125 17.398 6.097 -5.461 1.00 0.00 C ATOM 1887 C ASN A 125 16.373 4.985 -5.631 1.00 0.00 C ATOM 1888 O ASN A 125 15.613 4.998 -6.595 1.00 0.00 O ATOM 1889 CB ASN A 125 18.780 5.578 -5.869 1.00 0.00 C ATOM 1890 CG ASN A 125 19.648 6.674 -6.480 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.715 6.822 -7.696 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.311 7.474 -5.660 1.00 0.00 N ATOM 0 H ASN A 125 18.272 6.435 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 125 17.130 6.931 -6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.283 5.163 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.664 4.766 -6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.888 8.226 -6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.245 7.338 -4.651 1.00 0.00 H new ATOM 1899 N LEU A 126 16.324 4.028 -4.702 1.00 0.00 N ATOM 1900 CA LEU A 126 15.301 2.980 -4.715 1.00 0.00 C ATOM 1901 C LEU A 126 13.926 3.611 -4.630 1.00 0.00 C ATOM 1902 O LEU A 126 13.043 3.271 -5.405 1.00 0.00 O ATOM 1903 CB LEU A 126 15.580 1.942 -3.611 1.00 0.00 C ATOM 1904 CG LEU A 126 14.383 1.339 -2.846 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.562 -0.156 -2.650 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.219 1.925 -1.440 1.00 0.00 C ATOM 0 H LEU A 126 16.984 3.957 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 126 15.335 2.429 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.133 1.119 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.241 2.406 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 126 13.511 1.573 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.705 -0.557 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.638 -0.644 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.472 -0.342 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.362 1.463 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.119 1.729 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.060 3.001 -1.511 1.00 0.00 H new ATOM 1918 N ILE A 127 13.757 4.566 -3.733 1.00 0.00 N ATOM 1919 CA ILE A 127 12.498 5.275 -3.559 1.00 0.00 C ATOM 1920 C ILE A 127 12.115 5.944 -4.872 1.00 0.00 C ATOM 1921 O ILE A 127 10.956 5.877 -5.254 1.00 0.00 O ATOM 1922 CB ILE A 127 12.682 6.247 -2.391 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.451 5.400 -1.130 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.792 7.489 -2.375 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.222 5.987 0.030 1.00 0.00 C ATOM 0 H ILE A 127 14.494 4.875 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 127 11.669 4.612 -3.312 1.00 0.00 H new ATOM 0 HB ILE A 127 13.678 6.683 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.388 5.368 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.769 4.373 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.024 8.091 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.971 8.077 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.745 7.186 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.054 5.382 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.286 5.996 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.883 7.006 0.214 1.00 0.00 H new ATOM 1937 N ALA A 128 13.067 6.517 -5.604 1.00 0.00 N ATOM 1938 CA ALA A 128 12.786 7.144 -6.881 1.00 0.00 C ATOM 1939 C ALA A 128 12.268 6.144 -7.925 1.00 0.00 C ATOM 1940 O ALA A 128 11.532 6.551 -8.829 1.00 0.00 O ATOM 1941 CB ALA A 128 14.025 7.903 -7.368 1.00 0.00 C ATOM 0 H ALA A 128 14.048 6.557 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 128 11.977 7.860 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.810 8.373 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.291 8.670 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.856 7.207 -7.483 1.00 0.00 H new ATOM 1947 N LYS A 129 12.614 4.853 -7.821 1.00 0.00 N ATOM 1948 CA LYS A 129 12.050 3.825 -8.686 1.00 0.00 C ATOM 1949 C LYS A 129 10.592 3.523 -8.333 1.00 0.00 C ATOM 1950 O LYS A 129 9.761 3.446 -9.241 1.00 0.00 O ATOM 1951 CB LYS A 129 12.877 2.529 -8.612 1.00 0.00 C ATOM 1952 CG LYS A 129 14.342 2.721 -9.024 1.00 0.00 C ATOM 1953 CD LYS A 129 15.149 1.461 -8.691 1.00 0.00 C ATOM 1954 CE LYS A 129 16.626 1.717 -9.026 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.427 0.469 -9.179 1.00 0.00 N ATOM 0 H LYS A 129 13.287 4.501 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 129 12.083 4.214 -9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.841 2.140 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.421 1.778 -9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.404 2.931 -10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.765 3.581 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.039 1.210 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.774 0.611 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.686 2.293 -9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.068 2.329 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.357 0.701 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.555 0.023 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.928 -0.188 -9.812 1.00 0.00 H new ATOM 1969 N ILE A 130 10.276 3.351 -7.042 1.00 0.00 N ATOM 1970 CA ILE A 130 8.986 2.827 -6.594 1.00 0.00 C ATOM 1971 C ILE A 130 7.971 3.822 -6.026 1.00 0.00 C ATOM 1972 O ILE A 130 6.770 3.579 -6.162 1.00 0.00 O ATOM 1973 CB ILE A 130 9.201 1.652 -5.606 1.00 0.00 C ATOM 1974 CG1 ILE A 130 10.434 1.740 -4.690 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.253 0.362 -6.434 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.520 0.602 -3.664 1.00 0.00 C ATOM 0 H ILE A 130 10.914 3.574 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 130 8.515 2.497 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 130 8.365 1.683 -4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.334 1.732 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.417 2.693 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.404 -0.490 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.315 0.239 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.077 0.419 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.414 0.729 -3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.638 0.621 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.570 -0.354 -4.185 1.00 0.00 H new ATOM 1988 N SER A 131 8.399 4.871 -5.339 1.00 0.00 N ATOM 1989 CA SER A 131 7.520 5.811 -4.667 1.00 0.00 C ATOM 1990 C SER A 131 6.942 6.833 -5.659 1.00 0.00 C ATOM 1991 O SER A 131 7.424 6.932 -6.814 1.00 0.00 O ATOM 1992 CB SER A 131 8.279 6.500 -3.536 1.00 0.00 C ATOM 1993 OG SER A 131 8.746 5.530 -2.602 1.00 0.00 O ATOM 1994 OXT SER A 131 6.004 7.563 -5.262 1.00 0.00 O ATOM 0 H SER A 131 9.388 5.095 -5.232 1.00 0.00 H new ATOM 0 HA SER A 131 6.677 5.267 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.121 7.062 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.629 7.217 -3.034 1.00 0.00 H new ATOM 0 HG SER A 131 8.942 5.967 -1.747 1.00 0.00 H new TER 2000 SER A 131