USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 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 5 MET CE :methyl -155:sc= -0.529 (180deg=-1.73) USER MOD Set 1.2: A 33 THR OG1 : rot 160:sc= 0.791 USER MOD Set 1.3: A 35 CYS SG : rot 27:sc= 0.279 USER MOD Set 1.4: A 73 TYR OH : rot -174:sc= 1.73 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 154:sc= 1.25 (180deg=-0.148) USER MOD Set 2.2: A 131 SER OG : rot 69:sc= 2.32 USER MOD Set 3.1: A 11 ASN : amide:sc= 1.32 K(o=7.4,f=-4.9) USER MOD Set 3.2: A 16 GLN : amide:sc= 1.9 K(o=7.4,f=-4) USER MOD Set 3.3: A 23 LYS NZ :NH3+ -179:sc= 1.08 (180deg=0) USER MOD Set 3.4: A 34 SER OG : rot -87:sc= 1.42 USER MOD Set 3.5: A 60 GLN : amide:sc= 1.67 K(o=7.4,f=0.94) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.018 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -159:sc= 2.15 (180deg=1.71) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.02) USER MOD Single : A 8 CYS SG : rot 46:sc= 0.401 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -78:sc= 1.02 USER MOD Single : A 13 CYS SG : rot -80:sc= -0.0639 USER MOD Single : A 15 SER OG : rot 77:sc= 0.875 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.143 (180deg=-0.143) USER MOD Single : A 24 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 40 SER OG : rot 29:sc= 1.11 USER MOD Single : A 43 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-2.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0071 USER MOD Single : A 49 MET CE :methyl -152:sc= -0.646 (180deg=-2.71!) USER MOD Single : A 50 MET CE :methyl -114:sc= -3.63 (180deg=-14!) USER MOD Single : A 58 SER OG : rot -88:sc= 1.22 USER MOD Single : A 61 THR OG1 : rot -3:sc= 1.15 USER MOD Single : A 62 SER OG : rot -170:sc= 1.27 USER MOD Single : A 67 ASN : amide:sc= 1.01 K(o=1,f=-0.67) USER MOD Single : A 69 ASN : amide:sc= 1.06 K(o=1.1,f=-0.018) USER MOD Single : A 78 SER OG : rot 67:sc= -0.0482 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.439 K(o=-0.44,f=-5.4!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 93 GLN : amide:sc= 0.999 K(o=1,f=-0.032) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.896 K(o=0.9,f=-0.94) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 118 GLN : amide:sc= 0.852 K(o=0.85,f=-5.4!) USER MOD Single : A 120 LYS NZ :NH3+ -149:sc= 1.25 (180deg=1.16) USER MOD Single : A 125 ASN : amide:sc= 1.21 K(o=1.2,f=-0.41) USER MOD Single : A 129 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.650 -1.006 -2.968 1.00 0.00 N ATOM 2 CA MET A 1 2.590 0.142 -2.990 1.00 0.00 C ATOM 3 C MET A 1 3.884 -0.215 -2.253 1.00 0.00 C ATOM 4 O MET A 1 3.860 -0.916 -1.239 1.00 0.00 O ATOM 5 CB MET A 1 1.932 1.421 -2.419 1.00 0.00 C ATOM 6 CG MET A 1 2.873 2.632 -2.282 1.00 0.00 C ATOM 7 SD MET A 1 2.055 4.215 -1.934 1.00 0.00 S ATOM 8 CE MET A 1 1.424 4.653 -3.580 1.00 0.00 C ATOM 0 H1 MET A 1 0.678 -0.656 -2.848 1.00 0.00 H new ATOM 0 H2 MET A 1 1.721 -1.530 -3.863 1.00 0.00 H new ATOM 0 H3 MET A 1 1.891 -1.637 -2.177 1.00 0.00 H new ATOM 0 HA MET A 1 2.846 0.358 -4.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.097 1.700 -3.062 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.516 1.190 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.587 2.428 -1.484 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.445 2.733 -3.204 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.896 5.605 -3.526 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.257 4.739 -4.278 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.740 3.878 -3.926 1.00 0.00 H new ATOM 18 N LYS A 2 5.019 0.299 -2.741 1.00 0.00 N ATOM 19 CA LYS A 2 6.315 0.229 -2.058 1.00 0.00 C ATOM 20 C LYS A 2 6.720 1.638 -1.650 1.00 0.00 C ATOM 21 O LYS A 2 6.523 2.583 -2.415 1.00 0.00 O ATOM 22 CB LYS A 2 7.392 -0.362 -2.993 1.00 0.00 C ATOM 23 CG LYS A 2 7.670 -1.852 -2.778 1.00 0.00 C ATOM 24 CD LYS A 2 6.593 -2.802 -3.318 1.00 0.00 C ATOM 25 CE LYS A 2 7.129 -4.246 -3.408 1.00 0.00 C ATOM 26 NZ LYS A 2 7.506 -4.818 -2.092 1.00 0.00 N ATOM 0 H LYS A 2 5.063 0.784 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 2 6.228 -0.415 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.082 -0.209 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.320 0.192 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.620 -2.100 -3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.789 -2.033 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.718 -2.774 -2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.268 -2.468 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.370 -4.879 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.998 -4.263 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.166 -5.609 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.963 -4.085 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.653 -5.162 -1.606 1.00 0.00 H new ATOM 40 N LYS A 3 7.311 1.782 -0.466 1.00 0.00 N ATOM 41 CA LYS A 3 7.942 3.031 -0.060 1.00 0.00 C ATOM 42 C LYS A 3 9.400 2.954 -0.448 1.00 0.00 C ATOM 43 O LYS A 3 10.067 2.005 -0.037 1.00 0.00 O ATOM 44 CB LYS A 3 7.760 3.276 1.447 1.00 0.00 C ATOM 45 CG LYS A 3 6.522 4.165 1.602 1.00 0.00 C ATOM 46 CD LYS A 3 6.172 4.409 3.067 1.00 0.00 C ATOM 47 CE LYS A 3 5.107 5.502 3.184 1.00 0.00 C ATOM 48 NZ LYS A 3 4.767 5.772 4.599 1.00 0.00 N ATOM 0 H LYS A 3 7.365 1.041 0.233 1.00 0.00 H new ATOM 0 HA LYS A 3 7.474 3.878 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.629 2.334 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.640 3.761 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.698 5.120 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.675 3.697 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.807 3.487 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.066 4.702 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.468 6.417 2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.210 5.198 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.147 6.605 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.276 4.948 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.638 5.953 5.137 1.00 0.00 H new ATOM 62 N VAL A 4 9.896 3.937 -1.193 1.00 0.00 N ATOM 63 CA VAL A 4 11.284 3.996 -1.612 1.00 0.00 C ATOM 64 C VAL A 4 11.986 5.209 -1.007 1.00 0.00 C ATOM 65 O VAL A 4 11.448 6.317 -1.007 1.00 0.00 O ATOM 66 CB VAL A 4 11.351 3.902 -3.143 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.674 5.051 -3.897 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.799 3.755 -3.627 1.00 0.00 C ATOM 0 H VAL A 4 9.335 4.722 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 4 11.842 3.142 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 4 10.777 3.006 -3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.776 4.892 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.617 5.085 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.147 5.994 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.814 3.691 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.379 4.620 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.234 2.849 -3.204 1.00 0.00 H new ATOM 78 N MET A 5 13.199 4.987 -0.504 1.00 0.00 N ATOM 79 CA MET A 5 14.108 6.036 -0.064 1.00 0.00 C ATOM 80 C MET A 5 15.256 6.164 -1.072 1.00 0.00 C ATOM 81 O MET A 5 15.614 5.169 -1.700 1.00 0.00 O ATOM 82 CB MET A 5 14.618 5.704 1.348 1.00 0.00 C ATOM 83 CG MET A 5 15.596 6.759 1.880 1.00 0.00 C ATOM 84 SD MET A 5 14.984 8.464 1.922 1.00 0.00 S ATOM 85 CE MET A 5 13.946 8.379 3.400 1.00 0.00 C ATOM 0 H MET A 5 13.583 4.049 -0.390 1.00 0.00 H new ATOM 0 HA MET A 5 13.594 6.996 -0.017 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.770 5.623 2.028 1.00 0.00 H new ATOM 0 HB3 MET A 5 15.109 4.731 1.334 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.891 6.475 2.890 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.496 6.733 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.170 9.143 3.344 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.482 7.394 3.463 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.559 8.549 4.285 1.00 0.00 H new ATOM 95 N PHE A 6 15.860 7.352 -1.178 1.00 0.00 N ATOM 96 CA PHE A 6 17.098 7.625 -1.909 1.00 0.00 C ATOM 97 C PHE A 6 18.016 8.398 -0.949 1.00 0.00 C ATOM 98 O PHE A 6 17.759 9.578 -0.705 1.00 0.00 O ATOM 99 CB PHE A 6 16.839 8.446 -3.180 1.00 0.00 C ATOM 100 CG PHE A 6 15.961 7.756 -4.200 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.561 7.887 -4.130 1.00 0.00 C ATOM 102 CD2 PHE A 6 16.547 6.971 -5.212 1.00 0.00 C ATOM 103 CE1 PHE A 6 13.766 7.189 -5.061 1.00 0.00 C ATOM 104 CE2 PHE A 6 15.741 6.312 -6.156 1.00 0.00 C ATOM 105 CZ PHE A 6 14.349 6.417 -6.074 1.00 0.00 C ATOM 0 H PHE A 6 15.479 8.188 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 6 17.556 6.691 -2.234 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.375 9.391 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.795 8.686 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.104 8.511 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 6 17.622 6.875 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 6 12.690 7.250 -4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.195 5.727 -6.942 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.725 5.904 -6.790 1.00 0.00 H new ATOM 115 N VAL A 7 19.049 7.781 -0.369 1.00 0.00 N ATOM 116 CA VAL A 7 19.927 8.428 0.618 1.00 0.00 C ATOM 117 C VAL A 7 21.254 8.791 -0.052 1.00 0.00 C ATOM 118 O VAL A 7 21.902 7.900 -0.593 1.00 0.00 O ATOM 119 CB VAL A 7 20.217 7.472 1.797 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.967 8.208 2.916 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.967 6.821 2.402 1.00 0.00 C ATOM 0 H VAL A 7 19.304 6.814 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 7 19.429 9.321 0.994 1.00 0.00 H new ATOM 0 HB VAL A 7 20.825 6.675 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 7 21.162 7.519 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.912 8.590 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.360 9.039 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.259 6.166 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.298 7.596 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.454 6.238 1.637 1.00 0.00 H new ATOM 131 N CYS A 8 21.719 10.043 0.029 1.00 0.00 N ATOM 132 CA CYS A 8 23.016 10.437 -0.532 1.00 0.00 C ATOM 133 C CYS A 8 23.993 10.895 0.538 1.00 0.00 C ATOM 134 O CYS A 8 23.603 11.264 1.639 1.00 0.00 O ATOM 135 CB CYS A 8 22.789 11.516 -1.602 1.00 0.00 C ATOM 136 SG CYS A 8 24.273 11.919 -2.560 1.00 0.00 S ATOM 0 H CYS A 8 21.213 10.805 0.481 1.00 0.00 H new ATOM 0 HA CYS A 8 23.477 9.565 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.008 11.180 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.422 12.422 -1.119 1.00 0.00 H new ATOM 0 HG CYS A 8 24.864 10.821 -2.927 1.00 0.00 H new ATOM 142 N LYS A 9 25.281 10.943 0.202 1.00 0.00 N ATOM 143 CA LYS A 9 26.308 11.541 1.057 1.00 0.00 C ATOM 144 C LYS A 9 26.011 13.023 1.350 1.00 0.00 C ATOM 145 O LYS A 9 26.492 13.548 2.353 1.00 0.00 O ATOM 146 CB LYS A 9 27.684 11.353 0.386 1.00 0.00 C ATOM 147 CG LYS A 9 28.714 10.771 1.363 1.00 0.00 C ATOM 148 CD LYS A 9 30.027 10.448 0.639 1.00 0.00 C ATOM 149 CE LYS A 9 31.116 9.918 1.586 1.00 0.00 C ATOM 150 NZ LYS A 9 31.643 10.957 2.509 1.00 0.00 N ATOM 0 H LYS A 9 25.644 10.567 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 9 26.311 11.037 2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.583 10.691 -0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.040 12.312 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.902 11.482 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.315 9.867 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.836 9.707 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.392 11.346 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.710 9.093 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.938 9.515 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.373 10.540 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.058 11.734 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.868 11.325 3.096 1.00 0.00 H new ATOM 164 N ARG A 10 25.207 13.688 0.511 1.00 0.00 N ATOM 165 CA ARG A 10 24.643 15.007 0.707 1.00 0.00 C ATOM 166 C ARG A 10 23.369 14.997 -0.118 1.00 0.00 C ATOM 167 O ARG A 10 23.420 14.814 -1.330 1.00 0.00 O ATOM 168 CB ARG A 10 25.609 16.131 0.288 1.00 0.00 C ATOM 169 CG ARG A 10 26.231 16.089 -1.129 1.00 0.00 C ATOM 170 CD ARG A 10 27.287 17.197 -1.280 1.00 0.00 C ATOM 171 NE ARG A 10 26.704 18.553 -1.308 1.00 0.00 N ATOM 172 CZ ARG A 10 26.509 19.408 -0.296 1.00 0.00 C ATOM 173 NH1 ARG A 10 26.778 19.086 0.967 1.00 0.00 N ATOM 174 NH2 ARG A 10 26.034 20.609 -0.591 1.00 0.00 N ATOM 0 H ARG A 10 24.921 13.281 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 10 24.447 15.215 1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.077 17.077 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.428 16.148 1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.688 15.115 -1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.451 16.215 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 10 27.996 17.130 -0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 10 27.850 17.031 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 10 26.409 18.885 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 10 27.146 18.161 1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 10 26.616 19.764 1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.831 20.853 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 10 25.871 21.290 0.151 1.00 0.00 H new ATOM 188 N ASN A 11 22.229 15.127 0.554 1.00 0.00 N ATOM 189 CA ASN A 11 20.892 15.044 -0.059 1.00 0.00 C ATOM 190 C ASN A 11 20.749 15.916 -1.324 1.00 0.00 C ATOM 191 O ASN A 11 19.991 15.563 -2.225 1.00 0.00 O ATOM 192 CB ASN A 11 19.802 15.419 0.961 1.00 0.00 C ATOM 193 CG ASN A 11 18.395 15.324 0.365 1.00 0.00 C ATOM 194 OD1 ASN A 11 17.654 16.299 0.370 1.00 0.00 O ATOM 195 ND2 ASN A 11 17.989 14.176 -0.156 1.00 0.00 N ATOM 0 H ASN A 11 22.200 15.296 1.559 1.00 0.00 H new ATOM 0 HA ASN A 11 20.764 14.007 -0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.874 14.759 1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.975 16.434 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.054 14.100 -0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.611 13.368 -0.157 1.00 0.00 H new ATOM 202 N SER A 12 21.491 17.021 -1.400 1.00 0.00 N ATOM 203 CA SER A 12 21.410 18.107 -2.366 1.00 0.00 C ATOM 204 C SER A 12 21.160 17.779 -3.841 1.00 0.00 C ATOM 205 O SER A 12 20.517 18.602 -4.496 1.00 0.00 O ATOM 206 CB SER A 12 22.728 18.879 -2.269 1.00 0.00 C ATOM 207 OG SER A 12 22.901 19.333 -0.946 1.00 0.00 O ATOM 0 H SER A 12 22.233 17.190 -0.721 1.00 0.00 H new ATOM 0 HA SER A 12 20.509 18.652 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.561 18.238 -2.559 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.721 19.723 -2.958 1.00 0.00 H new ATOM 0 HG SER A 12 22.341 20.123 -0.795 1.00 0.00 H new ATOM 213 N CYS A 13 21.660 16.666 -4.395 1.00 0.00 N ATOM 214 CA CYS A 13 21.623 16.461 -5.847 1.00 0.00 C ATOM 215 C CYS A 13 21.186 15.058 -6.264 1.00 0.00 C ATOM 216 O CYS A 13 20.075 14.924 -6.778 1.00 0.00 O ATOM 217 CB CYS A 13 22.969 16.873 -6.475 1.00 0.00 C ATOM 218 SG CYS A 13 24.401 16.130 -5.632 1.00 0.00 S ATOM 0 H CYS A 13 22.088 15.905 -3.868 1.00 0.00 H new ATOM 0 HA CYS A 13 20.843 17.112 -6.241 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.979 16.580 -7.525 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.060 17.959 -6.447 1.00 0.00 H new ATOM 0 HG CYS A 13 24.668 16.805 -4.554 1.00 0.00 H new ATOM 224 N ARG A 14 22.023 14.025 -6.068 1.00 0.00 N ATOM 225 CA ARG A 14 21.767 12.689 -6.639 1.00 0.00 C ATOM 226 C ARG A 14 20.381 12.195 -6.209 1.00 0.00 C ATOM 227 O ARG A 14 19.549 11.815 -7.031 1.00 0.00 O ATOM 228 CB ARG A 14 22.847 11.665 -6.237 1.00 0.00 C ATOM 229 CG ARG A 14 24.170 11.972 -6.939 1.00 0.00 C ATOM 230 CD ARG A 14 25.237 10.917 -6.645 1.00 0.00 C ATOM 231 NE ARG A 14 25.917 11.173 -5.369 1.00 0.00 N ATOM 232 CZ ARG A 14 26.774 10.352 -4.761 1.00 0.00 C ATOM 233 NH1 ARG A 14 26.935 9.097 -5.180 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.459 10.835 -3.734 1.00 0.00 N ATOM 0 H ARG A 14 22.881 14.088 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 14 21.802 12.784 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 14 22.990 11.685 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.516 10.659 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.004 12.029 -8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.530 12.950 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.775 9.930 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.970 10.906 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 14 25.716 12.059 -4.906 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.399 8.752 -5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 14 27.595 8.481 -4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.320 11.801 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.125 10.241 -3.241 1.00 0.00 H new ATOM 248 N SER A 15 20.145 12.262 -4.902 1.00 0.00 N ATOM 249 CA SER A 15 18.933 11.852 -4.209 1.00 0.00 C ATOM 250 C SER A 15 17.727 12.687 -4.634 1.00 0.00 C ATOM 251 O SER A 15 16.676 12.135 -4.955 1.00 0.00 O ATOM 252 CB SER A 15 19.187 12.000 -2.697 1.00 0.00 C ATOM 253 OG SER A 15 20.262 12.884 -2.420 1.00 0.00 O ATOM 0 H SER A 15 20.845 12.630 -4.257 1.00 0.00 H new ATOM 0 HA SER A 15 18.700 10.818 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.282 12.367 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.404 11.021 -2.269 1.00 0.00 H new ATOM 0 HG SER A 15 19.963 13.810 -2.539 1.00 0.00 H new ATOM 259 N GLN A 16 17.879 14.012 -4.645 1.00 0.00 N ATOM 260 CA GLN A 16 16.792 14.940 -4.929 1.00 0.00 C ATOM 261 C GLN A 16 16.273 14.748 -6.355 1.00 0.00 C ATOM 262 O GLN A 16 15.060 14.698 -6.568 1.00 0.00 O ATOM 263 CB GLN A 16 17.308 16.367 -4.685 1.00 0.00 C ATOM 264 CG GLN A 16 17.214 16.736 -3.197 1.00 0.00 C ATOM 265 CD GLN A 16 15.793 17.045 -2.719 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.896 17.367 -3.491 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.558 16.962 -1.426 1.00 0.00 N ATOM 0 H GLN A 16 18.769 14.472 -4.455 1.00 0.00 H new ATOM 0 HA GLN A 16 15.945 14.751 -4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.343 16.446 -5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.727 17.074 -5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.615 15.914 -2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.846 17.604 -3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.307 16.694 -0.788 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.627 17.166 -1.063 1.00 0.00 H new ATOM 276 N MET A 17 17.180 14.582 -7.323 1.00 0.00 N ATOM 277 CA MET A 17 16.800 14.273 -8.693 1.00 0.00 C ATOM 278 C MET A 17 16.129 12.906 -8.780 1.00 0.00 C ATOM 279 O MET A 17 15.067 12.799 -9.395 1.00 0.00 O ATOM 280 CB MET A 17 18.022 14.328 -9.611 1.00 0.00 C ATOM 281 CG MET A 17 18.430 15.774 -9.910 1.00 0.00 C ATOM 282 SD MET A 17 19.535 15.986 -11.332 1.00 0.00 S ATOM 283 CE MET A 17 21.065 15.286 -10.669 1.00 0.00 C ATOM 0 H MET A 17 18.186 14.658 -7.175 1.00 0.00 H new ATOM 0 HA MET A 17 16.081 15.024 -9.022 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.855 13.802 -9.143 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.802 13.810 -10.544 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.528 16.361 -10.081 1.00 0.00 H new ATOM 0 HG3 MET A 17 18.917 16.187 -9.027 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.848 15.341 -11.425 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.371 15.850 -9.788 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.899 14.244 -10.394 1.00 0.00 H new ATOM 293 N ALA A 18 16.700 11.878 -8.139 1.00 0.00 N ATOM 294 CA ALA A 18 16.116 10.543 -8.140 1.00 0.00 C ATOM 295 C ALA A 18 14.671 10.582 -7.642 1.00 0.00 C ATOM 296 O ALA A 18 13.800 9.943 -8.227 1.00 0.00 O ATOM 297 CB ALA A 18 16.950 9.592 -7.277 1.00 0.00 C ATOM 0 H ALA A 18 17.570 11.953 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 18 16.116 10.174 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.499 8.600 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.964 9.535 -7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.982 9.963 -6.253 1.00 0.00 H new ATOM 303 N GLU A 19 14.415 11.368 -6.595 1.00 0.00 N ATOM 304 CA GLU A 19 13.080 11.516 -6.024 1.00 0.00 C ATOM 305 C GLU A 19 12.132 12.191 -7.013 1.00 0.00 C ATOM 306 O GLU A 19 11.014 11.709 -7.210 1.00 0.00 O ATOM 307 CB GLU A 19 13.140 12.244 -4.669 1.00 0.00 C ATOM 308 CG GLU A 19 11.794 12.835 -4.208 1.00 0.00 C ATOM 309 CD GLU A 19 11.769 13.256 -2.724 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.839 13.493 -2.122 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.659 13.346 -2.153 1.00 0.00 O ATOM 0 H GLU A 19 15.130 11.919 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 19 12.674 10.523 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.497 11.547 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.874 13.048 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.559 13.702 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.008 12.100 -4.380 1.00 0.00 H new ATOM 318 N GLY A 20 12.568 13.279 -7.650 1.00 0.00 N ATOM 319 CA GLY A 20 11.756 13.980 -8.630 1.00 0.00 C ATOM 320 C GLY A 20 11.394 13.069 -9.805 1.00 0.00 C ATOM 321 O GLY A 20 10.248 13.093 -10.262 1.00 0.00 O ATOM 0 H GLY A 20 13.488 13.692 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.845 14.346 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.297 14.853 -8.997 1.00 0.00 H new ATOM 325 N PHE A 21 12.330 12.237 -10.281 1.00 0.00 N ATOM 326 CA PHE A 21 12.020 11.286 -11.341 1.00 0.00 C ATOM 327 C PHE A 21 11.033 10.260 -10.782 1.00 0.00 C ATOM 328 O PHE A 21 9.963 10.077 -11.345 1.00 0.00 O ATOM 329 CB PHE A 21 13.282 10.611 -11.915 1.00 0.00 C ATOM 330 CG PHE A 21 14.387 11.542 -12.398 1.00 0.00 C ATOM 331 CD1 PHE A 21 14.102 12.686 -13.174 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.720 11.276 -12.033 1.00 0.00 C ATOM 333 CE1 PHE A 21 15.116 13.622 -13.457 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.740 12.185 -12.356 1.00 0.00 C ATOM 335 CZ PHE A 21 16.430 13.381 -13.025 1.00 0.00 C ATOM 0 H PHE A 21 13.294 12.207 -9.950 1.00 0.00 H new ATOM 0 HA PHE A 21 11.571 11.817 -12.180 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.697 9.956 -11.149 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.981 9.976 -12.749 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.103 12.844 -13.552 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.960 10.367 -11.501 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.883 14.523 -14.005 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.763 11.965 -12.090 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.202 14.114 -13.207 1.00 0.00 H new ATOM 345 N ALA A 22 11.334 9.635 -9.644 1.00 0.00 N ATOM 346 CA ALA A 22 10.548 8.557 -9.052 1.00 0.00 C ATOM 347 C ALA A 22 9.104 8.942 -8.806 1.00 0.00 C ATOM 348 O ALA A 22 8.222 8.147 -9.123 1.00 0.00 O ATOM 349 CB ALA A 22 11.204 8.101 -7.750 1.00 0.00 C ATOM 0 H ALA A 22 12.158 9.874 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 22 10.531 7.738 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.616 7.296 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.212 7.743 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.252 8.939 -7.054 1.00 0.00 H new ATOM 355 N LYS A 23 8.830 10.140 -8.292 1.00 0.00 N ATOM 356 CA LYS A 23 7.448 10.551 -8.135 1.00 0.00 C ATOM 357 C LYS A 23 6.804 10.773 -9.501 1.00 0.00 C ATOM 358 O LYS A 23 5.657 10.406 -9.689 1.00 0.00 O ATOM 359 CB LYS A 23 7.305 11.740 -7.177 1.00 0.00 C ATOM 360 CG LYS A 23 7.736 13.086 -7.750 1.00 0.00 C ATOM 361 CD LYS A 23 7.775 14.123 -6.622 1.00 0.00 C ATOM 362 CE LYS A 23 7.556 15.501 -7.243 1.00 0.00 C ATOM 363 NZ LYS A 23 7.745 16.599 -6.262 1.00 0.00 N ATOM 0 H LYS A 23 9.527 10.820 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 23 6.894 9.744 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.263 11.812 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.893 11.538 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.718 12.999 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.042 13.403 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.003 13.911 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.733 14.086 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.248 15.636 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.548 15.555 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.569 17.513 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.079 16.478 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.719 16.577 -5.899 1.00 0.00 H new ATOM 377 N THR A 24 7.502 11.279 -10.508 1.00 0.00 N ATOM 378 CA THR A 24 6.872 11.458 -11.799 1.00 0.00 C ATOM 379 C THR A 24 6.557 10.096 -12.440 1.00 0.00 C ATOM 380 O THR A 24 5.486 9.891 -13.014 1.00 0.00 O ATOM 381 CB THR A 24 7.831 12.292 -12.659 1.00 0.00 C ATOM 382 OG1 THR A 24 8.161 13.495 -11.990 1.00 0.00 O ATOM 383 CG2 THR A 24 7.198 12.650 -13.994 1.00 0.00 C ATOM 0 H THR A 24 8.480 11.565 -10.456 1.00 0.00 H new ATOM 0 HA THR A 24 5.918 11.977 -11.704 1.00 0.00 H new ATOM 0 HB THR A 24 8.725 11.693 -12.830 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.907 13.333 -11.375 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.900 13.241 -14.583 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.949 11.737 -14.535 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.291 13.229 -13.823 1.00 0.00 H new ATOM 391 N LEU A 25 7.500 9.162 -12.323 1.00 0.00 N ATOM 392 CA LEU A 25 7.476 7.843 -12.927 1.00 0.00 C ATOM 393 C LEU A 25 6.479 6.934 -12.224 1.00 0.00 C ATOM 394 O LEU A 25 5.811 6.141 -12.889 1.00 0.00 O ATOM 395 CB LEU A 25 8.891 7.252 -12.864 1.00 0.00 C ATOM 396 CG LEU A 25 9.919 8.019 -13.722 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.314 7.527 -13.350 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.665 7.823 -15.219 1.00 0.00 C ATOM 0 H LEU A 25 8.344 9.320 -11.773 1.00 0.00 H new ATOM 0 HA LEU A 25 7.156 7.926 -13.966 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.228 7.246 -11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.857 6.214 -13.194 1.00 0.00 H new ATOM 0 HG LEU A 25 9.826 9.086 -13.522 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.057 8.057 -13.946 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.496 7.715 -12.292 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.387 6.457 -13.546 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.409 8.378 -15.790 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.736 6.763 -15.464 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.669 8.188 -15.470 1.00 0.00 H new ATOM 410 N GLY A 26 6.373 7.056 -10.899 1.00 0.00 N ATOM 411 CA GLY A 26 5.625 6.107 -10.087 1.00 0.00 C ATOM 412 C GLY A 26 4.770 6.660 -8.947 1.00 0.00 C ATOM 413 O GLY A 26 4.239 5.838 -8.195 1.00 0.00 O ATOM 0 H GLY A 26 6.802 7.812 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.972 5.541 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.336 5.400 -9.659 1.00 0.00 H new ATOM 417 N ALA A 27 4.585 7.979 -8.791 1.00 0.00 N ATOM 418 CA ALA A 27 3.604 8.527 -7.850 1.00 0.00 C ATOM 419 C ALA A 27 2.232 7.922 -8.167 1.00 0.00 C ATOM 420 O ALA A 27 1.690 8.145 -9.253 1.00 0.00 O ATOM 421 CB ALA A 27 3.539 10.072 -7.882 1.00 0.00 C ATOM 0 H ALA A 27 5.106 8.687 -9.308 1.00 0.00 H new ATOM 0 HA ALA A 27 3.915 8.260 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.796 10.420 -7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.515 10.483 -7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.261 10.404 -8.882 1.00 0.00 H new ATOM 427 N GLY A 28 1.703 7.128 -7.234 1.00 0.00 N ATOM 428 CA GLY A 28 0.466 6.370 -7.397 1.00 0.00 C ATOM 429 C GLY A 28 0.674 4.877 -7.139 1.00 0.00 C ATOM 430 O GLY A 28 -0.282 4.191 -6.772 1.00 0.00 O ATOM 0 H GLY A 28 2.137 6.993 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.289 6.755 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.082 6.514 -8.407 1.00 0.00 H new ATOM 434 N LYS A 29 1.909 4.370 -7.273 1.00 0.00 N ATOM 435 CA LYS A 29 2.261 2.974 -6.997 1.00 0.00 C ATOM 436 C LYS A 29 3.508 2.857 -6.125 1.00 0.00 C ATOM 437 O LYS A 29 3.696 1.824 -5.483 1.00 0.00 O ATOM 438 CB LYS A 29 2.302 2.136 -8.291 1.00 0.00 C ATOM 439 CG LYS A 29 2.942 2.771 -9.544 1.00 0.00 C ATOM 440 CD LYS A 29 4.473 2.729 -9.543 1.00 0.00 C ATOM 441 CE LYS A 29 5.031 1.311 -9.732 1.00 0.00 C ATOM 442 NZ LYS A 29 4.751 0.783 -11.096 1.00 0.00 N ATOM 0 H LYS A 29 2.703 4.931 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 29 1.465 2.536 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.838 1.212 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.278 1.859 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.574 2.254 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.616 3.808 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.850 3.372 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.842 3.137 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.107 1.318 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.593 0.646 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.468 0.073 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.809 0.343 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.780 1.563 -11.783 1.00 0.00 H new ATOM 456 N ILE A 30 4.312 3.914 -6.018 1.00 0.00 N ATOM 457 CA ILE A 30 5.391 4.027 -5.050 1.00 0.00 C ATOM 458 C ILE A 30 5.228 5.371 -4.355 1.00 0.00 C ATOM 459 O ILE A 30 4.772 6.345 -4.960 1.00 0.00 O ATOM 460 CB ILE A 30 6.795 3.862 -5.674 1.00 0.00 C ATOM 461 CG1 ILE A 30 7.079 4.744 -6.910 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.002 2.381 -6.004 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.573 4.908 -7.237 1.00 0.00 C ATOM 0 H ILE A 30 4.225 4.733 -6.619 1.00 0.00 H new ATOM 0 HA ILE A 30 5.322 3.209 -4.333 1.00 0.00 H new ATOM 0 HB ILE A 30 7.511 4.213 -4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.575 4.312 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.644 5.730 -6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.988 2.241 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.927 1.791 -5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.238 2.055 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.685 5.541 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.082 5.370 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.012 3.930 -7.435 1.00 0.00 H new ATOM 475 N ALA A 31 5.615 5.410 -3.085 1.00 0.00 N ATOM 476 CA ALA A 31 5.720 6.629 -2.308 1.00 0.00 C ATOM 477 C ALA A 31 7.208 6.831 -2.081 1.00 0.00 C ATOM 478 O ALA A 31 7.863 5.994 -1.460 1.00 0.00 O ATOM 479 CB ALA A 31 4.937 6.486 -0.999 1.00 0.00 C ATOM 0 H ALA A 31 5.869 4.573 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 31 5.292 7.495 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.022 7.407 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.888 6.293 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.344 5.657 -0.421 1.00 0.00 H new ATOM 485 N VAL A 32 7.753 7.898 -2.648 1.00 0.00 N ATOM 486 CA VAL A 32 9.166 8.181 -2.589 1.00 0.00 C ATOM 487 C VAL A 32 9.483 9.263 -1.560 1.00 0.00 C ATOM 488 O VAL A 32 8.682 10.164 -1.296 1.00 0.00 O ATOM 489 CB VAL A 32 9.631 8.572 -3.999 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.820 9.678 -4.681 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.105 8.979 -3.985 1.00 0.00 C ATOM 0 H VAL A 32 7.215 8.594 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 32 9.708 7.295 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 32 9.469 7.671 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.233 9.875 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.782 9.361 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.867 10.587 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.416 9.253 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.241 9.831 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.710 8.143 -3.633 1.00 0.00 H new ATOM 501 N THR A 33 10.694 9.178 -1.022 1.00 0.00 N ATOM 502 CA THR A 33 11.343 10.187 -0.224 1.00 0.00 C ATOM 503 C THR A 33 12.840 10.095 -0.552 1.00 0.00 C ATOM 504 O THR A 33 13.334 9.031 -0.927 1.00 0.00 O ATOM 505 CB THR A 33 11.090 9.938 1.278 1.00 0.00 C ATOM 506 OG1 THR A 33 9.745 9.582 1.558 1.00 0.00 O ATOM 507 CG2 THR A 33 11.436 11.152 2.142 1.00 0.00 C ATOM 0 H THR A 33 11.276 8.349 -1.144 1.00 0.00 H new ATOM 0 HA THR A 33 10.954 11.181 -0.446 1.00 0.00 H new ATOM 0 HB THR A 33 11.749 9.106 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.700 9.128 2.426 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.239 10.921 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.490 11.399 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.826 12.002 1.837 1.00 0.00 H new ATOM 515 N SER A 34 13.577 11.191 -0.447 1.00 0.00 N ATOM 516 CA SER A 34 15.024 11.193 -0.483 1.00 0.00 C ATOM 517 C SER A 34 15.544 11.839 0.799 1.00 0.00 C ATOM 518 O SER A 34 14.824 12.576 1.480 1.00 0.00 O ATOM 519 CB SER A 34 15.541 11.854 -1.756 1.00 0.00 C ATOM 520 OG SER A 34 15.385 13.257 -1.762 1.00 0.00 O ATOM 0 H SER A 34 13.173 12.121 -0.332 1.00 0.00 H new ATOM 0 HA SER A 34 15.406 10.173 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.597 11.613 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.016 11.434 -2.614 1.00 0.00 H new ATOM 0 HG SER A 34 14.499 13.486 -2.113 1.00 0.00 H new ATOM 526 N CYS A 35 16.789 11.533 1.147 1.00 0.00 N ATOM 527 CA CYS A 35 17.446 11.945 2.372 1.00 0.00 C ATOM 528 C CYS A 35 18.943 12.012 2.090 1.00 0.00 C ATOM 529 O CYS A 35 19.389 11.831 0.951 1.00 0.00 O ATOM 530 CB CYS A 35 17.142 10.921 3.482 1.00 0.00 C ATOM 531 SG CYS A 35 15.543 11.300 4.243 1.00 0.00 S ATOM 0 H CYS A 35 17.391 10.964 0.552 1.00 0.00 H new ATOM 0 HA CYS A 35 17.089 12.920 2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.128 9.913 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 35 17.929 10.944 4.236 1.00 0.00 H new ATOM 0 HG CYS A 35 14.788 11.915 3.382 1.00 0.00 H new ATOM 537 N GLY A 36 19.742 12.247 3.121 1.00 0.00 N ATOM 538 CA GLY A 36 21.175 12.109 3.018 1.00 0.00 C ATOM 539 C GLY A 36 21.789 11.849 4.377 1.00 0.00 C ATOM 540 O GLY A 36 21.145 12.102 5.400 1.00 0.00 O ATOM 0 H GLY A 36 19.412 12.536 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.418 11.290 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.602 13.015 2.588 1.00 0.00 H new ATOM 544 N LEU A 37 23.030 11.352 4.361 1.00 0.00 N ATOM 545 CA LEU A 37 23.857 11.133 5.554 1.00 0.00 C ATOM 546 C LEU A 37 23.881 12.399 6.417 1.00 0.00 C ATOM 547 O LEU A 37 23.847 12.320 7.644 1.00 0.00 O ATOM 548 CB LEU A 37 25.296 10.737 5.162 1.00 0.00 C ATOM 549 CG LEU A 37 25.519 9.229 4.929 1.00 0.00 C ATOM 550 CD1 LEU A 37 24.699 8.653 3.770 1.00 0.00 C ATOM 551 CD2 LEU A 37 27.005 8.955 4.681 1.00 0.00 C ATOM 0 H LEU A 37 23.500 11.084 3.496 1.00 0.00 H new ATOM 0 HA LEU A 37 23.419 10.315 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.569 11.274 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.975 11.072 5.946 1.00 0.00 H new ATOM 0 HG LEU A 37 25.176 8.730 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.910 7.588 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.637 8.795 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 37 24.966 9.165 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 37 27.156 7.888 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 37 27.335 9.507 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 37 27.583 9.274 5.548 1.00 0.00 H new ATOM 563 N GLU A 38 23.899 13.555 5.755 1.00 0.00 N ATOM 564 CA GLU A 38 23.706 14.877 6.320 1.00 0.00 C ATOM 565 C GLU A 38 22.872 15.645 5.290 1.00 0.00 C ATOM 566 O GLU A 38 22.953 15.375 4.083 1.00 0.00 O ATOM 567 CB GLU A 38 25.051 15.587 6.557 1.00 0.00 C ATOM 568 CG GLU A 38 25.902 14.938 7.658 1.00 0.00 C ATOM 569 CD GLU A 38 27.171 15.760 7.946 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.139 16.655 8.821 1.00 0.00 O ATOM 571 OE2 GLU A 38 28.225 15.508 7.317 1.00 0.00 O ATOM 0 H GLU A 38 24.059 13.588 4.748 1.00 0.00 H new ATOM 0 HA GLU A 38 23.212 14.822 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.618 15.593 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.862 16.627 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.312 14.846 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.181 13.929 7.356 1.00 0.00 H new ATOM 578 N SER A 39 22.062 16.590 5.759 1.00 0.00 N ATOM 579 CA SER A 39 21.319 17.500 4.904 1.00 0.00 C ATOM 580 C SER A 39 22.233 18.615 4.374 1.00 0.00 C ATOM 581 O SER A 39 23.276 18.937 4.953 1.00 0.00 O ATOM 582 CB SER A 39 20.131 18.071 5.699 1.00 0.00 C ATOM 583 OG SER A 39 20.485 18.358 7.047 1.00 0.00 O ATOM 0 H SER A 39 21.904 16.744 6.755 1.00 0.00 H new ATOM 0 HA SER A 39 20.937 16.963 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.774 18.980 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.307 17.357 5.684 1.00 0.00 H new ATOM 0 HG SER A 39 19.707 18.720 7.520 1.00 0.00 H new ATOM 589 N SER A 40 21.818 19.218 3.263 1.00 0.00 N ATOM 590 CA SER A 40 22.348 20.426 2.643 1.00 0.00 C ATOM 591 C SER A 40 21.273 20.869 1.638 1.00 0.00 C ATOM 592 O SER A 40 20.438 20.047 1.245 1.00 0.00 O ATOM 593 CB SER A 40 23.680 20.117 1.947 1.00 0.00 C ATOM 594 OG SER A 40 24.741 20.023 2.883 1.00 0.00 O ATOM 0 H SER A 40 21.035 18.840 2.729 1.00 0.00 H new ATOM 0 HA SER A 40 22.555 21.214 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.596 19.181 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.902 20.898 1.219 1.00 0.00 H new ATOM 0 HG SER A 40 24.390 19.719 3.746 1.00 0.00 H new ATOM 600 N ARG A 41 21.242 22.148 1.241 1.00 0.00 N ATOM 601 CA ARG A 41 20.204 22.684 0.356 1.00 0.00 C ATOM 602 C ARG A 41 20.133 21.902 -0.954 1.00 0.00 C ATOM 603 O ARG A 41 21.139 21.343 -1.393 1.00 0.00 O ATOM 604 CB ARG A 41 20.417 24.188 0.090 1.00 0.00 C ATOM 605 CG ARG A 41 21.770 24.546 -0.565 1.00 0.00 C ATOM 606 CD ARG A 41 21.694 25.844 -1.380 1.00 0.00 C ATOM 607 NE ARG A 41 20.866 25.657 -2.586 1.00 0.00 N ATOM 608 CZ ARG A 41 20.375 26.607 -3.386 1.00 0.00 C ATOM 609 NH1 ARG A 41 20.676 27.889 -3.197 1.00 0.00 N ATOM 610 NH2 ARG A 41 19.571 26.236 -4.376 1.00 0.00 N ATOM 0 H ARG A 41 21.937 22.839 1.525 1.00 0.00 H new ATOM 0 HA ARG A 41 19.248 22.567 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 41 19.613 24.546 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.334 24.725 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.530 24.649 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.085 23.729 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.275 26.641 -0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.698 26.158 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 41 20.643 24.694 -2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.292 28.161 -2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.291 28.600 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.345 25.250 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.179 26.937 -5.005 1.00 0.00 H new ATOM 624 N VAL A 42 18.969 21.901 -1.600 1.00 0.00 N ATOM 625 CA VAL A 42 18.830 21.330 -2.936 1.00 0.00 C ATOM 626 C VAL A 42 19.724 22.155 -3.859 1.00 0.00 C ATOM 627 O VAL A 42 19.684 23.391 -3.833 1.00 0.00 O ATOM 628 CB VAL A 42 17.364 21.301 -3.415 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.282 20.577 -4.767 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.443 20.588 -2.410 1.00 0.00 C ATOM 0 H VAL A 42 18.107 22.290 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 42 19.139 20.285 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 42 17.028 22.334 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.246 20.556 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.893 21.104 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.648 19.556 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.421 20.591 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.777 19.559 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.478 21.108 -1.453 1.00 0.00 H new ATOM 640 N HIS A 43 20.564 21.483 -4.640 1.00 0.00 N ATOM 641 CA HIS A 43 21.522 22.139 -5.508 1.00 0.00 C ATOM 642 C HIS A 43 20.772 22.841 -6.653 1.00 0.00 C ATOM 643 O HIS A 43 19.795 22.283 -7.155 1.00 0.00 O ATOM 644 CB HIS A 43 22.525 21.084 -5.992 1.00 0.00 C ATOM 645 CG HIS A 43 23.811 21.690 -6.478 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.170 21.894 -7.787 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.802 22.225 -5.699 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.353 22.531 -7.799 1.00 0.00 C ATOM 649 NE2 HIS A 43 25.785 22.752 -6.546 1.00 0.00 N ATOM 0 H HIS A 43 20.595 20.464 -4.685 1.00 0.00 H new ATOM 0 HA HIS A 43 22.083 22.914 -4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.739 20.391 -5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.075 20.502 -6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.822 22.238 -4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 43 25.884 22.825 -8.693 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.653 23.211 -6.268 1.00 0.00 H new ATOM 657 N PRO A 44 21.178 24.043 -7.100 1.00 0.00 N ATOM 658 CA PRO A 44 20.361 24.820 -8.021 1.00 0.00 C ATOM 659 C PRO A 44 20.364 24.220 -9.424 1.00 0.00 C ATOM 660 O PRO A 44 19.319 24.114 -10.055 1.00 0.00 O ATOM 661 CB PRO A 44 20.933 26.239 -7.979 1.00 0.00 C ATOM 662 CG PRO A 44 22.401 26.035 -7.601 1.00 0.00 C ATOM 663 CD PRO A 44 22.401 24.756 -6.761 1.00 0.00 C ATOM 0 HA PRO A 44 19.311 24.820 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.835 26.738 -8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.414 26.857 -7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.029 25.930 -8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.788 26.883 -7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.279 24.148 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.432 24.990 -5.697 1.00 0.00 H new ATOM 671 N THR A 45 21.500 23.739 -9.917 1.00 0.00 N ATOM 672 CA THR A 45 21.568 23.176 -11.260 1.00 0.00 C ATOM 673 C THR A 45 20.775 21.856 -11.371 1.00 0.00 C ATOM 674 O THR A 45 20.392 21.444 -12.468 1.00 0.00 O ATOM 675 CB THR A 45 23.058 23.007 -11.593 1.00 0.00 C ATOM 676 OG1 THR A 45 23.796 24.157 -11.207 1.00 0.00 O ATOM 677 CG2 THR A 45 23.362 22.668 -13.050 1.00 0.00 C ATOM 0 H THR A 45 22.384 23.728 -9.408 1.00 0.00 H new ATOM 0 HA THR A 45 21.098 23.840 -11.986 1.00 0.00 H new ATOM 0 HB THR A 45 23.371 22.138 -11.013 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.742 24.027 -11.427 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.439 22.569 -13.183 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.876 21.729 -13.314 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.988 23.464 -13.694 1.00 0.00 H new ATOM 685 N ALA A 46 20.447 21.224 -10.236 1.00 0.00 N ATOM 686 CA ALA A 46 19.547 20.078 -10.197 1.00 0.00 C ATOM 687 C ALA A 46 18.187 20.449 -10.775 1.00 0.00 C ATOM 688 O ALA A 46 17.579 19.666 -11.504 1.00 0.00 O ATOM 689 CB ALA A 46 19.334 19.667 -8.743 1.00 0.00 C ATOM 0 H ALA A 46 20.803 21.499 -9.320 1.00 0.00 H new ATOM 0 HA ALA A 46 19.988 19.269 -10.779 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.662 18.810 -8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.292 19.399 -8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.896 20.498 -8.190 1.00 0.00 H new ATOM 695 N ILE A 47 17.717 21.658 -10.449 1.00 0.00 N ATOM 696 CA ILE A 47 16.445 22.164 -10.889 1.00 0.00 C ATOM 697 C ILE A 47 16.446 22.128 -12.418 1.00 0.00 C ATOM 698 O ILE A 47 15.491 21.647 -13.021 1.00 0.00 O ATOM 699 CB ILE A 47 16.263 23.597 -10.347 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.412 23.710 -8.809 1.00 0.00 C ATOM 701 CG2 ILE A 47 14.902 24.137 -10.787 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.716 25.148 -8.367 1.00 0.00 C ATOM 0 H ILE A 47 18.232 22.312 -9.860 1.00 0.00 H new ATOM 0 HA ILE A 47 15.614 21.564 -10.518 1.00 0.00 H new ATOM 0 HB ILE A 47 17.070 24.197 -10.769 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.494 23.369 -8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.212 23.050 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.771 25.149 -10.405 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.851 24.150 -11.876 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.112 23.497 -10.394 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.813 25.182 -7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.648 25.480 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.904 25.804 -8.680 1.00 0.00 H new ATOM 714 N ALA A 48 17.545 22.589 -13.031 1.00 0.00 N ATOM 715 CA ALA A 48 17.661 22.713 -14.470 1.00 0.00 C ATOM 716 C ALA A 48 17.552 21.359 -15.166 1.00 0.00 C ATOM 717 O ALA A 48 16.856 21.252 -16.170 1.00 0.00 O ATOM 718 CB ALA A 48 18.972 23.412 -14.839 1.00 0.00 C ATOM 0 H ALA A 48 18.380 22.886 -12.527 1.00 0.00 H new ATOM 0 HA ALA A 48 16.828 23.323 -14.820 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.046 23.498 -15.923 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.992 24.407 -14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.813 22.829 -14.463 1.00 0.00 H new ATOM 724 N MET A 49 18.191 20.325 -14.614 1.00 0.00 N ATOM 725 CA MET A 49 18.102 18.957 -15.137 1.00 0.00 C ATOM 726 C MET A 49 16.658 18.474 -15.175 1.00 0.00 C ATOM 727 O MET A 49 16.164 17.914 -16.160 1.00 0.00 O ATOM 728 CB MET A 49 18.914 17.996 -14.254 1.00 0.00 C ATOM 729 CG MET A 49 20.387 17.967 -14.623 1.00 0.00 C ATOM 730 SD MET A 49 20.693 17.534 -16.361 1.00 0.00 S ATOM 731 CE MET A 49 21.395 19.097 -16.965 1.00 0.00 C ATOM 0 H MET A 49 18.786 20.411 -13.790 1.00 0.00 H new ATOM 0 HA MET A 49 18.504 18.968 -16.150 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.811 18.293 -13.210 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.501 16.991 -14.342 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.824 18.945 -14.419 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.899 17.249 -13.983 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.185 19.203 -18.029 1.00 0.00 H new ATOM 0 HE2 MET A 49 20.948 19.930 -16.422 1.00 0.00 H new ATOM 0 HE3 MET A 49 22.473 19.097 -16.806 1.00 0.00 H new ATOM 741 N MET A 50 15.961 18.687 -14.072 1.00 0.00 N ATOM 742 CA MET A 50 14.597 18.232 -13.958 1.00 0.00 C ATOM 743 C MET A 50 13.711 19.059 -14.876 1.00 0.00 C ATOM 744 O MET A 50 12.814 18.494 -15.493 1.00 0.00 O ATOM 745 CB MET A 50 14.204 18.222 -12.484 1.00 0.00 C ATOM 746 CG MET A 50 15.096 17.167 -11.803 1.00 0.00 C ATOM 747 SD MET A 50 14.281 16.166 -10.545 1.00 0.00 S ATOM 748 CE MET A 50 13.057 15.339 -11.566 1.00 0.00 C ATOM 0 H MET A 50 16.320 19.171 -13.249 1.00 0.00 H new ATOM 0 HA MET A 50 14.470 17.205 -14.299 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.353 19.204 -12.036 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.149 17.974 -12.365 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.495 16.503 -12.570 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.946 17.674 -11.346 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.059 15.666 -11.275 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.229 15.587 -12.613 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.139 14.261 -11.431 1.00 0.00 H new ATOM 758 N GLU A 51 14.035 20.331 -15.098 1.00 0.00 N ATOM 759 CA GLU A 51 13.395 21.156 -16.107 1.00 0.00 C ATOM 760 C GLU A 51 13.580 20.564 -17.509 1.00 0.00 C ATOM 761 O GLU A 51 12.682 20.692 -18.340 1.00 0.00 O ATOM 762 CB GLU A 51 13.963 22.584 -16.038 1.00 0.00 C ATOM 763 CG GLU A 51 12.877 23.661 -15.953 1.00 0.00 C ATOM 764 CD GLU A 51 11.992 23.737 -17.211 1.00 0.00 C ATOM 765 OE1 GLU A 51 12.451 24.260 -18.252 1.00 0.00 O ATOM 766 OE2 GLU A 51 10.811 23.328 -17.151 1.00 0.00 O ATOM 0 H GLU A 51 14.760 20.819 -14.572 1.00 0.00 H new ATOM 0 HA GLU A 51 12.324 21.186 -15.906 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.617 22.667 -15.170 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.579 22.766 -16.919 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.247 23.464 -15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.349 24.630 -15.790 1.00 0.00 H new ATOM 773 N GLU A 52 14.700 19.881 -17.775 1.00 0.00 N ATOM 774 CA GLU A 52 14.919 19.200 -19.047 1.00 0.00 C ATOM 775 C GLU A 52 13.914 18.062 -19.221 1.00 0.00 C ATOM 776 O GLU A 52 13.450 17.815 -20.336 1.00 0.00 O ATOM 777 CB GLU A 52 16.352 18.661 -19.226 1.00 0.00 C ATOM 778 CG GLU A 52 17.443 19.715 -18.981 1.00 0.00 C ATOM 779 CD GLU A 52 18.729 19.450 -19.782 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.330 18.359 -19.647 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.145 20.328 -20.572 1.00 0.00 O ATOM 0 H GLU A 52 15.473 19.788 -17.116 1.00 0.00 H new ATOM 0 HA GLU A 52 14.772 19.955 -19.819 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.505 17.827 -18.542 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.459 18.268 -20.237 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.055 20.699 -19.244 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.683 19.741 -17.918 1.00 0.00 H new ATOM 788 N VAL A 53 13.552 17.390 -18.123 1.00 0.00 N ATOM 789 CA VAL A 53 12.521 16.345 -18.164 1.00 0.00 C ATOM 790 C VAL A 53 11.109 16.965 -18.172 1.00 0.00 C ATOM 791 O VAL A 53 10.174 16.357 -18.696 1.00 0.00 O ATOM 792 CB VAL A 53 12.715 15.354 -16.998 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.825 14.107 -17.132 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.166 14.864 -16.923 1.00 0.00 C ATOM 0 H VAL A 53 13.954 17.549 -17.199 1.00 0.00 H new ATOM 0 HA VAL A 53 12.626 15.783 -19.092 1.00 0.00 H new ATOM 0 HB VAL A 53 12.441 15.906 -16.099 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.000 13.442 -16.286 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.777 14.408 -17.146 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.066 13.586 -18.059 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.272 14.167 -16.092 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.429 14.361 -17.854 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.830 15.715 -16.770 1.00 0.00 H new ATOM 804 N GLY A 54 10.948 18.177 -17.632 1.00 0.00 N ATOM 805 CA GLY A 54 9.663 18.847 -17.462 1.00 0.00 C ATOM 806 C GLY A 54 9.156 18.742 -16.019 1.00 0.00 C ATOM 807 O GLY A 54 7.944 18.712 -15.797 1.00 0.00 O ATOM 0 H GLY A 54 11.734 18.732 -17.292 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.761 19.897 -17.738 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.930 18.406 -18.138 1.00 0.00 H new ATOM 811 N ILE A 55 10.069 18.644 -15.048 1.00 0.00 N ATOM 812 CA ILE A 55 9.791 18.537 -13.615 1.00 0.00 C ATOM 813 C ILE A 55 10.574 19.678 -12.917 1.00 0.00 C ATOM 814 O ILE A 55 11.236 20.482 -13.577 1.00 0.00 O ATOM 815 CB ILE A 55 10.154 17.106 -13.122 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.637 15.957 -14.029 1.00 0.00 C ATOM 817 CG2 ILE A 55 9.639 16.825 -11.691 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.558 14.739 -13.939 1.00 0.00 C ATOM 0 H ILE A 55 11.069 18.637 -15.251 1.00 0.00 H new ATOM 0 HA ILE A 55 8.735 18.662 -13.374 1.00 0.00 H new ATOM 0 HB ILE A 55 11.244 17.109 -13.151 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.627 15.678 -13.730 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.580 16.300 -15.062 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.919 15.814 -11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.081 17.541 -10.998 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.554 16.922 -11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.177 13.946 -14.582 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.561 15.017 -14.261 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.593 14.385 -12.909 1.00 0.00 H new ATOM 830 N ASP A 56 10.503 19.781 -11.590 1.00 0.00 N ATOM 831 CA ASP A 56 11.148 20.810 -10.771 1.00 0.00 C ATOM 832 C ASP A 56 11.562 20.191 -9.433 1.00 0.00 C ATOM 833 O ASP A 56 10.954 19.210 -8.997 1.00 0.00 O ATOM 834 CB ASP A 56 10.152 21.956 -10.529 1.00 0.00 C ATOM 835 CG ASP A 56 10.599 22.896 -9.399 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.740 23.409 -9.453 1.00 0.00 O ATOM 837 OD2 ASP A 56 9.831 23.083 -8.431 1.00 0.00 O ATOM 0 H ASP A 56 9.969 19.118 -11.029 1.00 0.00 H new ATOM 0 HA ASP A 56 12.030 21.200 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.033 22.529 -11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.175 21.538 -10.285 1.00 0.00 H new ATOM 842 N ILE A 57 12.563 20.782 -8.770 1.00 0.00 N ATOM 843 CA ILE A 57 12.979 20.416 -7.417 1.00 0.00 C ATOM 844 C ILE A 57 13.107 21.621 -6.473 1.00 0.00 C ATOM 845 O ILE A 57 13.154 21.431 -5.258 1.00 0.00 O ATOM 846 CB ILE A 57 14.291 19.603 -7.401 1.00 0.00 C ATOM 847 CG1 ILE A 57 14.797 19.033 -8.735 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.115 18.471 -6.388 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.123 18.291 -8.538 1.00 0.00 C ATOM 0 H ILE A 57 13.115 21.542 -9.169 1.00 0.00 H new ATOM 0 HA ILE A 57 12.173 19.785 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 57 15.069 20.319 -7.136 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.053 18.354 -9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.930 19.841 -9.454 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.025 17.873 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.915 18.892 -5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.279 17.840 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.464 17.895 -9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.870 18.980 -8.143 1.00 0.00 H new ATOM 0 HD13 ILE A 57 15.980 17.470 -7.836 1.00 0.00 H new ATOM 861 N SER A 58 13.153 22.845 -7.004 1.00 0.00 N ATOM 862 CA SER A 58 13.381 24.074 -6.243 1.00 0.00 C ATOM 863 C SER A 58 12.466 24.217 -5.015 1.00 0.00 C ATOM 864 O SER A 58 12.882 24.788 -4.003 1.00 0.00 O ATOM 865 CB SER A 58 13.236 25.284 -7.180 1.00 0.00 C ATOM 866 OG SER A 58 11.960 25.372 -7.778 1.00 0.00 O ATOM 0 H SER A 58 13.029 23.012 -8.003 1.00 0.00 H new ATOM 0 HA SER A 58 14.395 24.026 -5.846 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.431 26.197 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.993 25.224 -7.961 1.00 0.00 H new ATOM 0 HG SER A 58 11.952 24.854 -8.610 1.00 0.00 H new ATOM 872 N GLY A 59 11.236 23.693 -5.088 1.00 0.00 N ATOM 873 CA GLY A 59 10.212 23.891 -4.073 1.00 0.00 C ATOM 874 C GLY A 59 10.093 22.748 -3.063 1.00 0.00 C ATOM 875 O GLY A 59 9.463 22.960 -2.025 1.00 0.00 O ATOM 0 H GLY A 59 10.927 23.112 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.425 24.814 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.250 24.025 -4.567 1.00 0.00 H new ATOM 879 N GLN A 60 10.652 21.553 -3.323 1.00 0.00 N ATOM 880 CA GLN A 60 10.396 20.396 -2.457 1.00 0.00 C ATOM 881 C GLN A 60 11.317 20.296 -1.247 1.00 0.00 C ATOM 882 O GLN A 60 10.907 19.771 -0.211 1.00 0.00 O ATOM 883 CB GLN A 60 10.351 19.070 -3.227 1.00 0.00 C ATOM 884 CG GLN A 60 11.557 18.675 -4.084 1.00 0.00 C ATOM 885 CD GLN A 60 11.407 17.253 -4.640 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.343 16.853 -5.114 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.463 16.461 -4.605 1.00 0.00 N ATOM 0 H GLN A 60 11.272 21.368 -4.111 1.00 0.00 H new ATOM 0 HA GLN A 60 9.398 20.585 -2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.185 18.273 -2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.477 19.096 -3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.666 19.380 -4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.467 18.740 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.341 16.799 -4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.401 15.511 -4.972 1.00 0.00 H new ATOM 896 N THR A 61 12.507 20.873 -1.358 1.00 0.00 N ATOM 897 CA THR A 61 13.482 21.075 -0.286 1.00 0.00 C ATOM 898 C THR A 61 14.108 19.778 0.245 1.00 0.00 C ATOM 899 O THR A 61 13.701 18.662 -0.097 1.00 0.00 O ATOM 900 CB THR A 61 12.934 22.001 0.828 1.00 0.00 C ATOM 901 OG1 THR A 61 11.879 21.445 1.584 1.00 0.00 O ATOM 902 CG2 THR A 61 12.454 23.318 0.227 1.00 0.00 C ATOM 0 H THR A 61 12.840 21.235 -2.251 1.00 0.00 H new ATOM 0 HA THR A 61 14.320 21.602 -0.741 1.00 0.00 H new ATOM 0 HB THR A 61 13.770 22.152 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.642 20.567 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.071 23.961 1.019 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.286 23.814 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.662 23.121 -0.495 1.00 0.00 H new ATOM 910 N SER A 62 15.158 19.956 1.044 1.00 0.00 N ATOM 911 CA SER A 62 16.018 18.878 1.517 1.00 0.00 C ATOM 912 C SER A 62 15.472 18.194 2.775 1.00 0.00 C ATOM 913 O SER A 62 14.592 18.733 3.452 1.00 0.00 O ATOM 914 CB SER A 62 17.415 19.434 1.786 1.00 0.00 C ATOM 915 OG SER A 62 17.864 20.202 0.692 1.00 0.00 O ATOM 0 H SER A 62 15.439 20.875 1.387 1.00 0.00 H new ATOM 0 HA SER A 62 16.055 18.117 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.400 20.048 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.109 18.614 1.971 1.00 0.00 H new ATOM 0 HG SER A 62 18.813 20.416 0.810 1.00 0.00 H new ATOM 921 N ASP A 63 16.033 17.031 3.127 1.00 0.00 N ATOM 922 CA ASP A 63 15.714 16.304 4.357 1.00 0.00 C ATOM 923 C ASP A 63 16.938 15.478 4.783 1.00 0.00 C ATOM 924 O ASP A 63 17.596 14.904 3.909 1.00 0.00 O ATOM 925 CB ASP A 63 14.512 15.366 4.122 1.00 0.00 C ATOM 926 CG ASP A 63 13.272 15.825 4.900 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.307 15.791 6.149 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.253 16.189 4.270 1.00 0.00 O ATOM 0 H ASP A 63 16.734 16.562 2.553 1.00 0.00 H new ATOM 0 HA ASP A 63 15.456 17.016 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.281 15.331 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.777 14.353 4.424 1.00 0.00 H new ATOM 933 N PRO A 64 17.282 15.400 6.082 1.00 0.00 N ATOM 934 CA PRO A 64 18.292 14.474 6.584 1.00 0.00 C ATOM 935 C PRO A 64 17.681 13.086 6.826 1.00 0.00 C ATOM 936 O PRO A 64 16.500 12.963 7.164 1.00 0.00 O ATOM 937 CB PRO A 64 18.763 15.092 7.904 1.00 0.00 C ATOM 938 CG PRO A 64 17.508 15.785 8.436 1.00 0.00 C ATOM 939 CD PRO A 64 16.770 16.226 7.169 1.00 0.00 C ATOM 0 HA PRO A 64 19.110 14.334 5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.127 14.333 8.596 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.578 15.799 7.749 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.901 15.108 9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.759 16.636 9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.694 16.095 7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.943 17.283 6.967 1.00 0.00 H new ATOM 947 N ILE A 65 18.517 12.043 6.751 1.00 0.00 N ATOM 948 CA ILE A 65 18.135 10.666 7.089 1.00 0.00 C ATOM 949 C ILE A 65 17.526 10.584 8.497 1.00 0.00 C ATOM 950 O ILE A 65 16.585 9.826 8.735 1.00 0.00 O ATOM 951 CB ILE A 65 19.345 9.736 6.888 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.858 8.276 6.904 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.504 9.989 7.875 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.963 7.318 6.478 1.00 0.00 C ATOM 0 H ILE A 65 19.488 12.132 6.451 1.00 0.00 H new ATOM 0 HA ILE A 65 17.348 10.327 6.416 1.00 0.00 H new ATOM 0 HB ILE A 65 19.783 9.961 5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.515 8.016 7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 65 18.003 8.168 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.317 9.294 7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.863 11.012 7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.152 9.841 8.896 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.586 6.295 6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.288 7.563 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.807 7.409 7.162 1.00 0.00 H new ATOM 966 N GLU A 66 18.037 11.414 9.411 1.00 0.00 N ATOM 967 CA GLU A 66 17.674 11.455 10.821 1.00 0.00 C ATOM 968 C GLU A 66 16.178 11.733 11.036 1.00 0.00 C ATOM 969 O GLU A 66 15.642 11.400 12.095 1.00 0.00 O ATOM 970 CB GLU A 66 18.515 12.535 11.530 1.00 0.00 C ATOM 971 CG GLU A 66 20.031 12.407 11.294 1.00 0.00 C ATOM 972 CD GLU A 66 20.826 13.343 12.224 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.004 14.536 11.891 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.296 12.890 13.293 1.00 0.00 O ATOM 0 H GLU A 66 18.748 12.106 9.172 1.00 0.00 H new ATOM 0 HA GLU A 66 17.880 10.472 11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.187 13.517 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.320 12.487 12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.341 11.376 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.260 12.644 10.255 1.00 0.00 H new ATOM 981 N ASN A 67 15.498 12.346 10.057 1.00 0.00 N ATOM 982 CA ASN A 67 14.089 12.709 10.169 1.00 0.00 C ATOM 983 C ASN A 67 13.149 11.517 9.904 1.00 0.00 C ATOM 984 O ASN A 67 11.937 11.655 10.073 1.00 0.00 O ATOM 985 CB ASN A 67 13.805 13.887 9.224 1.00 0.00 C ATOM 986 CG ASN A 67 12.444 14.539 9.461 1.00 0.00 C ATOM 987 OD1 ASN A 67 11.914 14.569 10.570 1.00 0.00 O ATOM 988 ND2 ASN A 67 11.872 15.131 8.430 1.00 0.00 N ATOM 0 H ASN A 67 15.917 12.603 9.163 1.00 0.00 H new ATOM 0 HA ASN A 67 13.886 13.013 11.196 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.586 14.638 9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.858 13.537 8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.984 15.618 8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.318 15.102 7.513 1.00 0.00 H new ATOM 995 N PHE A 68 13.666 10.343 9.509 1.00 0.00 N ATOM 996 CA PHE A 68 12.869 9.173 9.168 1.00 0.00 C ATOM 997 C PHE A 68 13.424 7.907 9.832 1.00 0.00 C ATOM 998 O PHE A 68 14.384 7.948 10.605 1.00 0.00 O ATOM 999 CB PHE A 68 12.834 9.023 7.641 1.00 0.00 C ATOM 1000 CG PHE A 68 12.188 10.181 6.912 1.00 0.00 C ATOM 1001 CD1 PHE A 68 12.958 11.294 6.531 1.00 0.00 C ATOM 1002 CD2 PHE A 68 10.810 10.150 6.630 1.00 0.00 C ATOM 1003 CE1 PHE A 68 12.345 12.382 5.889 1.00 0.00 C ATOM 1004 CE2 PHE A 68 10.197 11.246 5.996 1.00 0.00 C ATOM 1005 CZ PHE A 68 10.964 12.367 5.631 1.00 0.00 C ATOM 0 H PHE A 68 14.670 10.186 9.419 1.00 0.00 H new ATOM 0 HA PHE A 68 11.855 9.310 9.543 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.854 8.904 7.277 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.298 8.108 7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.019 11.312 6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.223 9.285 6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.938 13.234 5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.137 11.227 5.789 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.493 13.214 5.154 1.00 0.00 H new ATOM 1015 N ASN A 69 12.799 6.772 9.510 1.00 0.00 N ATOM 1016 CA ASN A 69 13.108 5.435 9.998 1.00 0.00 C ATOM 1017 C ASN A 69 12.980 4.460 8.831 1.00 0.00 C ATOM 1018 O ASN A 69 11.975 4.464 8.117 1.00 0.00 O ATOM 1019 CB ASN A 69 12.172 5.014 11.154 1.00 0.00 C ATOM 1020 CG ASN A 69 10.711 5.470 11.054 1.00 0.00 C ATOM 1021 OD1 ASN A 69 10.123 5.889 12.047 1.00 0.00 O ATOM 1022 ND2 ASN A 69 10.092 5.430 9.885 1.00 0.00 N ATOM 0 H ASN A 69 12.014 6.767 8.859 1.00 0.00 H new ATOM 0 HA ASN A 69 14.123 5.427 10.394 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.186 3.926 11.225 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.586 5.399 12.086 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.126 5.747 9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.581 5.082 9.061 1.00 0.00 H new ATOM 1029 N ALA A 70 13.987 3.607 8.665 1.00 0.00 N ATOM 1030 CA ALA A 70 14.094 2.662 7.561 1.00 0.00 C ATOM 1031 C ALA A 70 12.928 1.681 7.506 1.00 0.00 C ATOM 1032 O ALA A 70 12.588 1.214 6.426 1.00 0.00 O ATOM 1033 CB ALA A 70 15.394 1.864 7.697 1.00 0.00 C ATOM 0 H ALA A 70 14.772 3.554 9.314 1.00 0.00 H new ATOM 0 HA ALA A 70 14.082 3.247 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.475 1.157 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.244 2.546 7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.390 1.320 8.642 1.00 0.00 H new ATOM 1039 N ASP A 71 12.317 1.373 8.654 1.00 0.00 N ATOM 1040 CA ASP A 71 11.235 0.396 8.764 1.00 0.00 C ATOM 1041 C ASP A 71 10.017 0.778 7.916 1.00 0.00 C ATOM 1042 O ASP A 71 9.240 -0.093 7.523 1.00 0.00 O ATOM 1043 CB ASP A 71 10.828 0.256 10.235 1.00 0.00 C ATOM 1044 CG ASP A 71 9.684 -0.756 10.419 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.920 -1.976 10.266 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.555 -0.344 10.769 1.00 0.00 O ATOM 0 H ASP A 71 12.566 1.803 9.545 1.00 0.00 H new ATOM 0 HA ASP A 71 11.604 -0.556 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.690 -0.060 10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.519 1.228 10.620 1.00 0.00 H new ATOM 1051 N ASP A 72 9.848 2.070 7.612 1.00 0.00 N ATOM 1052 CA ASP A 72 8.713 2.568 6.855 1.00 0.00 C ATOM 1053 C ASP A 72 8.958 2.415 5.355 1.00 0.00 C ATOM 1054 O ASP A 72 8.013 2.468 4.575 1.00 0.00 O ATOM 1055 CB ASP A 72 8.442 4.030 7.228 1.00 0.00 C ATOM 1056 CG ASP A 72 7.136 4.564 6.621 1.00 0.00 C ATOM 1057 OD1 ASP A 72 6.073 3.922 6.777 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.140 5.684 6.062 1.00 0.00 O ATOM 0 H ASP A 72 10.505 2.799 7.891 1.00 0.00 H new ATOM 0 HA ASP A 72 7.831 1.979 7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.398 4.122 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.274 4.647 6.890 1.00 0.00 H new ATOM 1063 N TYR A 73 10.209 2.187 4.944 1.00 0.00 N ATOM 1064 CA TYR A 73 10.635 2.102 3.571 1.00 0.00 C ATOM 1065 C TYR A 73 10.821 0.637 3.208 1.00 0.00 C ATOM 1066 O TYR A 73 11.502 -0.107 3.910 1.00 0.00 O ATOM 1067 CB TYR A 73 11.887 2.960 3.366 1.00 0.00 C ATOM 1068 CG TYR A 73 11.574 4.435 3.541 1.00 0.00 C ATOM 1069 CD1 TYR A 73 11.004 5.147 2.472 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.761 5.070 4.785 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.595 6.477 2.644 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.374 6.411 4.968 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.763 7.111 3.897 1.00 0.00 C ATOM 1074 OH TYR A 73 10.362 8.398 4.058 1.00 0.00 O ATOM 0 H TYR A 73 10.977 2.052 5.601 1.00 0.00 H new ATOM 0 HA TYR A 73 9.883 2.504 2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.657 2.662 4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.291 2.787 2.369 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.880 4.667 1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.205 4.524 5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.152 7.017 1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.541 6.902 5.915 1.00 0.00 H new ATOM 0 HH TYR A 73 10.630 8.716 4.945 1.00 0.00 H new ATOM 1084 N ASP A 74 10.182 0.203 2.123 1.00 0.00 N ATOM 1085 CA ASP A 74 10.279 -1.174 1.670 1.00 0.00 C ATOM 1086 C ASP A 74 11.519 -1.341 0.791 1.00 0.00 C ATOM 1087 O ASP A 74 12.117 -2.413 0.726 1.00 0.00 O ATOM 1088 CB ASP A 74 9.011 -1.561 0.916 1.00 0.00 C ATOM 1089 CG ASP A 74 8.984 -3.077 0.699 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.627 -3.807 1.652 1.00 0.00 O ATOM 1091 OD2 ASP A 74 9.254 -3.528 -0.433 1.00 0.00 O ATOM 0 H ASP A 74 9.589 0.794 1.541 1.00 0.00 H new ATOM 0 HA ASP A 74 10.378 -1.837 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.132 -1.248 1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.975 -1.045 -0.044 1.00 0.00 H new ATOM 1096 N VAL A 75 11.946 -0.242 0.168 1.00 0.00 N ATOM 1097 CA VAL A 75 13.013 -0.181 -0.809 1.00 0.00 C ATOM 1098 C VAL A 75 13.916 0.961 -0.360 1.00 0.00 C ATOM 1099 O VAL A 75 13.433 2.040 -0.005 1.00 0.00 O ATOM 1100 CB VAL A 75 12.385 0.108 -2.188 1.00 0.00 C ATOM 1101 CG1 VAL A 75 13.402 0.171 -3.337 1.00 0.00 C ATOM 1102 CG2 VAL A 75 11.262 -0.874 -2.553 1.00 0.00 C ATOM 0 H VAL A 75 11.530 0.672 0.346 1.00 0.00 H new ATOM 0 HA VAL A 75 13.583 -1.107 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 75 11.957 1.104 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.882 0.378 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 75 14.124 0.963 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.923 -0.783 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.860 -0.619 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.659 -1.889 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.468 -0.812 -1.808 1.00 0.00 H new ATOM 1112 N VAL A 76 15.226 0.752 -0.392 1.00 0.00 N ATOM 1113 CA VAL A 76 16.165 1.794 -0.006 1.00 0.00 C ATOM 1114 C VAL A 76 17.306 1.867 -1.007 1.00 0.00 C ATOM 1115 O VAL A 76 18.207 1.029 -1.065 1.00 0.00 O ATOM 1116 CB VAL A 76 16.562 1.675 1.478 1.00 0.00 C ATOM 1117 CG1 VAL A 76 16.814 0.241 1.959 1.00 0.00 C ATOM 1118 CG2 VAL A 76 17.711 2.626 1.827 1.00 0.00 C ATOM 0 H VAL A 76 15.659 -0.125 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 76 15.688 2.773 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 76 15.684 1.992 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 76 17.088 0.254 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.909 -0.352 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.625 -0.200 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.966 2.517 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 76 18.581 2.385 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.404 3.654 1.633 1.00 0.00 H new ATOM 1128 N ILE A 77 17.219 2.873 -1.863 1.00 0.00 N ATOM 1129 CA ILE A 77 18.316 3.238 -2.712 1.00 0.00 C ATOM 1130 C ILE A 77 19.177 4.153 -1.861 1.00 0.00 C ATOM 1131 O ILE A 77 18.707 4.943 -1.036 1.00 0.00 O ATOM 1132 CB ILE A 77 17.803 3.954 -3.976 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.815 3.079 -4.772 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.968 4.403 -4.874 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.344 1.680 -5.104 1.00 0.00 C ATOM 0 H ILE A 77 16.386 3.450 -1.980 1.00 0.00 H new ATOM 0 HA ILE A 77 18.879 2.374 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 77 17.265 4.841 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.892 2.980 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.562 3.590 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.574 4.905 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.609 5.090 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.548 3.532 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.589 1.129 -5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.250 1.766 -5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.570 1.148 -4.180 1.00 0.00 H new ATOM 1147 N SER A 78 20.467 4.041 -2.063 1.00 0.00 N ATOM 1148 CA SER A 78 21.444 4.967 -1.552 1.00 0.00 C ATOM 1149 C SER A 78 22.361 5.289 -2.725 1.00 0.00 C ATOM 1150 O SER A 78 22.342 4.629 -3.765 1.00 0.00 O ATOM 1151 CB SER A 78 22.116 4.422 -0.295 1.00 0.00 C ATOM 1152 OG SER A 78 21.103 4.208 0.675 1.00 0.00 O ATOM 0 H SER A 78 20.877 3.280 -2.604 1.00 0.00 H new ATOM 0 HA SER A 78 21.013 5.902 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.639 3.491 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 78 22.860 5.126 0.077 1.00 0.00 H new ATOM 0 HG SER A 78 20.513 3.484 0.378 1.00 0.00 H new ATOM 1158 N LEU A 79 23.039 6.416 -2.640 1.00 0.00 N ATOM 1159 CA LEU A 79 23.831 6.987 -3.709 1.00 0.00 C ATOM 1160 C LEU A 79 24.922 7.723 -2.953 1.00 0.00 C ATOM 1161 O LEU A 79 24.957 8.949 -2.907 1.00 0.00 O ATOM 1162 CB LEU A 79 23.001 7.830 -4.729 1.00 0.00 C ATOM 1163 CG LEU A 79 21.466 7.941 -4.531 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.185 9.088 -3.576 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.711 8.174 -5.842 1.00 0.00 C ATOM 0 H LEU A 79 23.053 6.981 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 79 24.252 6.249 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.408 8.841 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 79 23.177 7.415 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 79 21.113 6.992 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.109 9.181 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.670 8.892 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.574 10.015 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.642 8.243 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.054 9.102 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.898 7.343 -6.522 1.00 0.00 H new ATOM 1177 N CYS A 80 25.737 6.964 -2.220 1.00 0.00 N ATOM 1178 CA CYS A 80 26.798 7.520 -1.398 1.00 0.00 C ATOM 1179 C CYS A 80 28.032 7.770 -2.265 1.00 0.00 C ATOM 1180 O CYS A 80 28.644 8.830 -2.156 1.00 0.00 O ATOM 1181 CB CYS A 80 27.102 6.573 -0.233 1.00 0.00 C ATOM 1182 SG CYS A 80 25.607 6.320 0.772 1.00 0.00 S ATOM 0 H CYS A 80 25.675 5.947 -2.183 1.00 0.00 H new ATOM 0 HA CYS A 80 26.484 8.474 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.459 5.617 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.899 6.987 0.384 1.00 0.00 H new ATOM 0 HG CYS A 80 25.877 5.514 1.755 1.00 0.00 H new ATOM 1188 N GLY A 81 28.342 6.874 -3.208 1.00 0.00 N ATOM 1189 CA GLY A 81 29.557 6.969 -4.016 1.00 0.00 C ATOM 1190 C GLY A 81 30.710 6.264 -3.304 1.00 0.00 C ATOM 1191 O GLY A 81 30.574 5.873 -2.145 1.00 0.00 O ATOM 0 H GLY A 81 27.759 6.067 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 81 29.391 6.517 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.809 8.015 -4.188 1.00 0.00 H new ATOM 1195 N CYS A 82 31.834 6.081 -4.007 1.00 0.00 N ATOM 1196 CA CYS A 82 33.035 5.357 -3.590 1.00 0.00 C ATOM 1197 C CYS A 82 32.768 4.070 -2.782 1.00 0.00 C ATOM 1198 O CYS A 82 33.544 3.706 -1.895 1.00 0.00 O ATOM 1199 CB CYS A 82 33.937 6.364 -2.874 1.00 0.00 C ATOM 1200 SG CYS A 82 34.509 7.650 -4.028 1.00 0.00 S ATOM 0 H CYS A 82 31.932 6.463 -4.948 1.00 0.00 H new ATOM 0 HA CYS A 82 33.539 4.959 -4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 82 33.393 6.824 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 82 34.795 5.848 -2.442 1.00 0.00 H new ATOM 0 HG CYS A 82 35.270 8.493 -3.396 1.00 0.00 H new ATOM 1206 N GLY A 83 31.661 3.386 -3.089 1.00 0.00 N ATOM 1207 CA GLY A 83 31.183 2.190 -2.405 1.00 0.00 C ATOM 1208 C GLY A 83 30.969 2.359 -0.897 1.00 0.00 C ATOM 1209 O GLY A 83 31.018 1.374 -0.157 1.00 0.00 O ATOM 0 H GLY A 83 31.050 3.667 -3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 83 30.242 1.879 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 83 31.898 1.384 -2.569 1.00 0.00 H new ATOM 1213 N VAL A 84 30.746 3.589 -0.430 1.00 0.00 N ATOM 1214 CA VAL A 84 30.320 3.893 0.921 1.00 0.00 C ATOM 1215 C VAL A 84 28.918 3.296 1.107 1.00 0.00 C ATOM 1216 O VAL A 84 28.151 3.135 0.153 1.00 0.00 O ATOM 1217 CB VAL A 84 30.421 5.411 1.165 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.910 5.857 2.543 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.873 5.902 1.015 1.00 0.00 C ATOM 0 H VAL A 84 30.863 4.422 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 84 30.963 3.445 1.679 1.00 0.00 H new ATOM 0 HB VAL A 84 29.777 5.856 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 84 30.015 6.938 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.860 5.584 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 84 30.492 5.366 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.914 6.977 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 84 32.507 5.390 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 84 32.227 5.687 0.007 1.00 0.00 H new ATOM 1229 N ASN A 85 28.600 2.939 2.347 1.00 0.00 N ATOM 1230 CA ASN A 85 27.403 2.188 2.716 1.00 0.00 C ATOM 1231 C ASN A 85 26.793 2.767 3.996 1.00 0.00 C ATOM 1232 O ASN A 85 27.205 3.838 4.449 1.00 0.00 O ATOM 1233 CB ASN A 85 27.762 0.694 2.817 1.00 0.00 C ATOM 1234 CG ASN A 85 26.523 -0.174 2.672 1.00 0.00 C ATOM 1235 OD1 ASN A 85 25.972 -0.643 3.659 1.00 0.00 O ATOM 1236 ND2 ASN A 85 26.023 -0.344 1.460 1.00 0.00 N ATOM 0 H ASN A 85 29.186 3.171 3.149 1.00 0.00 H new ATOM 0 HA ASN A 85 26.632 2.280 1.951 1.00 0.00 H new ATOM 0 HB2 ASN A 85 28.484 0.436 2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 85 28.240 0.495 3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 85 25.161 -0.875 1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 85 26.499 0.056 0.651 1.00 0.00 H new ATOM 1243 N LEU A 86 25.799 2.090 4.571 1.00 0.00 N ATOM 1244 CA LEU A 86 24.962 2.587 5.651 1.00 0.00 C ATOM 1245 C LEU A 86 24.929 1.491 6.722 1.00 0.00 C ATOM 1246 O LEU A 86 24.280 0.467 6.508 1.00 0.00 O ATOM 1247 CB LEU A 86 23.538 2.932 5.148 1.00 0.00 C ATOM 1248 CG LEU A 86 23.423 3.689 3.803 1.00 0.00 C ATOM 1249 CD1 LEU A 86 23.284 2.690 2.649 1.00 0.00 C ATOM 1250 CD2 LEU A 86 22.218 4.634 3.816 1.00 0.00 C ATOM 0 H LEU A 86 25.549 1.144 4.282 1.00 0.00 H new ATOM 0 HA LEU A 86 25.367 3.513 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.977 2.002 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.045 3.530 5.915 1.00 0.00 H new ATOM 0 HG LEU A 86 24.328 4.279 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 86 23.204 3.232 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 86 24.160 2.042 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 86 22.389 2.085 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.155 5.157 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 86 21.306 4.059 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 86 22.334 5.360 4.620 1.00 0.00 H new ATOM 1262 N PRO A 87 25.636 1.654 7.855 1.00 0.00 N ATOM 1263 CA PRO A 87 25.509 0.763 9.002 1.00 0.00 C ATOM 1264 C PRO A 87 24.063 0.491 9.476 1.00 0.00 C ATOM 1265 O PRO A 87 23.794 -0.663 9.825 1.00 0.00 O ATOM 1266 CB PRO A 87 26.367 1.383 10.112 1.00 0.00 C ATOM 1267 CG PRO A 87 27.401 2.205 9.347 1.00 0.00 C ATOM 1268 CD PRO A 87 26.627 2.687 8.121 1.00 0.00 C ATOM 0 HA PRO A 87 25.851 -0.231 8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.771 2.007 10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.839 0.618 10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.772 3.039 9.942 1.00 0.00 H new ATOM 0 HG3 PRO A 87 28.266 1.604 9.066 1.00 0.00 H new ATOM 0 HD2 PRO A 87 26.150 3.649 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 87 27.290 2.824 7.267 1.00 0.00 H new ATOM 1276 N PRO A 88 23.136 1.478 9.544 1.00 0.00 N ATOM 1277 CA PRO A 88 21.791 1.238 10.077 1.00 0.00 C ATOM 1278 C PRO A 88 20.875 0.450 9.125 1.00 0.00 C ATOM 1279 O PRO A 88 21.261 0.070 8.022 1.00 0.00 O ATOM 1280 CB PRO A 88 21.239 2.629 10.422 1.00 0.00 C ATOM 1281 CG PRO A 88 21.964 3.544 9.441 1.00 0.00 C ATOM 1282 CD PRO A 88 23.332 2.915 9.339 1.00 0.00 C ATOM 0 HA PRO A 88 21.835 0.593 10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.158 2.677 10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 88 21.449 2.900 11.457 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.462 3.578 8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.017 4.569 9.809 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.780 3.112 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.007 3.327 10.089 1.00 0.00 H new ATOM 1290 N GLU A 89 19.624 0.237 9.555 1.00 0.00 N ATOM 1291 CA GLU A 89 18.602 -0.616 8.934 1.00 0.00 C ATOM 1292 C GLU A 89 18.233 -0.210 7.497 1.00 0.00 C ATOM 1293 O GLU A 89 17.515 -0.929 6.800 1.00 0.00 O ATOM 1294 CB GLU A 89 17.332 -0.603 9.802 1.00 0.00 C ATOM 1295 CG GLU A 89 17.512 -1.044 11.259 1.00 0.00 C ATOM 1296 CD GLU A 89 17.951 -2.513 11.406 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.077 -3.408 11.459 1.00 0.00 O ATOM 1298 OE2 GLU A 89 19.167 -2.779 11.539 1.00 0.00 O ATOM 0 H GLU A 89 19.276 0.686 10.402 1.00 0.00 H new ATOM 0 HA GLU A 89 19.035 -1.615 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.922 0.407 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.590 -1.251 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.253 -0.402 11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.573 -0.898 11.793 1.00 0.00 H new ATOM 1305 N TRP A 90 18.741 0.925 7.023 1.00 0.00 N ATOM 1306 CA TRP A 90 18.691 1.380 5.642 1.00 0.00 C ATOM 1307 C TRP A 90 19.488 0.465 4.690 1.00 0.00 C ATOM 1308 O TRP A 90 19.692 0.814 3.531 1.00 0.00 O ATOM 1309 CB TRP A 90 19.201 2.823 5.604 1.00 0.00 C ATOM 1310 CG TRP A 90 18.431 3.792 6.454 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.760 4.157 7.709 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.191 4.511 6.167 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.893 5.102 8.186 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.876 5.347 7.286 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.282 4.516 5.089 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.739 6.171 7.308 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.125 5.313 5.118 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.858 6.146 6.216 1.00 0.00 C ATOM 0 H TRP A 90 19.225 1.587 7.629 1.00 0.00 H new ATOM 0 HA TRP A 90 17.662 1.337 5.285 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.243 2.832 5.923 1.00 0.00 H new ATOM 0 HB3 TRP A 90 19.180 3.173 4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.596 3.757 8.264 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.986 5.565 9.090 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.478 3.897 4.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.545 6.815 8.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.435 5.284 4.288 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.975 6.767 6.220 1.00 0.00 H new ATOM 1329 N VAL A 91 19.934 -0.705 5.154 1.00 0.00 N ATOM 1330 CA VAL A 91 20.563 -1.738 4.347 1.00 0.00 C ATOM 1331 C VAL A 91 19.866 -3.107 4.512 1.00 0.00 C ATOM 1332 O VAL A 91 20.325 -4.094 3.937 1.00 0.00 O ATOM 1333 CB VAL A 91 22.087 -1.710 4.620 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.486 -2.385 5.943 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.900 -2.299 3.459 1.00 0.00 C ATOM 0 H VAL A 91 19.861 -0.962 6.138 1.00 0.00 H new ATOM 0 HA VAL A 91 20.436 -1.538 3.283 1.00 0.00 H new ATOM 0 HB VAL A 91 22.332 -0.652 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.567 -2.328 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.997 -1.876 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.177 -3.430 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.962 -2.256 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.606 -3.336 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.710 -1.724 2.553 1.00 0.00 H new ATOM 1345 N THR A 92 18.748 -3.197 5.250 1.00 0.00 N ATOM 1346 CA THR A 92 18.126 -4.472 5.626 1.00 0.00 C ATOM 1347 C THR A 92 16.621 -4.521 5.307 1.00 0.00 C ATOM 1348 O THR A 92 15.864 -5.261 5.941 1.00 0.00 O ATOM 1349 CB THR A 92 18.458 -4.791 7.100 1.00 0.00 C ATOM 1350 OG1 THR A 92 18.097 -3.715 7.944 1.00 0.00 O ATOM 1351 CG2 THR A 92 19.952 -5.047 7.324 1.00 0.00 C ATOM 0 H THR A 92 18.249 -2.381 5.604 1.00 0.00 H new ATOM 0 HA THR A 92 18.552 -5.264 5.009 1.00 0.00 H new ATOM 0 HB THR A 92 17.890 -5.691 7.338 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.315 -3.940 8.873 1.00 0.00 H new ATOM 0 HG21 THR A 92 20.130 -5.266 8.377 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.271 -5.895 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.520 -4.162 7.037 1.00 0.00 H new ATOM 1359 N GLN A 93 16.180 -3.735 4.322 1.00 0.00 N ATOM 1360 CA GLN A 93 14.805 -3.771 3.815 1.00 0.00 C ATOM 1361 C GLN A 93 14.727 -4.704 2.596 1.00 0.00 C ATOM 1362 O GLN A 93 15.718 -5.345 2.235 1.00 0.00 O ATOM 1363 CB GLN A 93 14.301 -2.350 3.502 1.00 0.00 C ATOM 1364 CG GLN A 93 14.542 -1.337 4.637 1.00 0.00 C ATOM 1365 CD GLN A 93 13.987 -1.815 5.986 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.852 -2.272 6.106 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.799 -1.779 7.030 1.00 0.00 N ATOM 0 H GLN A 93 16.771 -3.051 3.850 1.00 0.00 H new ATOM 0 HA GLN A 93 14.144 -4.173 4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.793 -1.992 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.233 -2.393 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.612 -1.154 4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.078 -0.386 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.741 -1.400 6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.483 -2.130 7.934 1.00 0.00 H new ATOM 1376 N GLU A 94 13.549 -4.805 1.972 1.00 0.00 N ATOM 1377 CA GLU A 94 13.274 -5.727 0.880 1.00 0.00 C ATOM 1378 C GLU A 94 14.217 -5.542 -0.310 1.00 0.00 C ATOM 1379 O GLU A 94 14.611 -6.531 -0.933 1.00 0.00 O ATOM 1380 CB GLU A 94 11.799 -5.596 0.455 1.00 0.00 C ATOM 1381 CG GLU A 94 11.275 -6.960 0.006 1.00 0.00 C ATOM 1382 CD GLU A 94 9.794 -6.949 -0.425 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.495 -6.713 -1.620 1.00 0.00 O ATOM 1384 OE2 GLU A 94 8.916 -7.267 0.410 1.00 0.00 O ATOM 0 H GLU A 94 12.744 -4.231 2.223 1.00 0.00 H new ATOM 0 HA GLU A 94 13.457 -6.738 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.202 -5.221 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.706 -4.874 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.883 -7.316 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.401 -7.673 0.821 1.00 0.00 H new ATOM 1391 N ILE A 95 14.619 -4.301 -0.599 1.00 0.00 N ATOM 1392 CA ILE A 95 15.543 -3.975 -1.678 1.00 0.00 C ATOM 1393 C ILE A 95 16.541 -2.964 -1.114 1.00 0.00 C ATOM 1394 O ILE A 95 16.135 -2.025 -0.423 1.00 0.00 O ATOM 1395 CB ILE A 95 14.749 -3.442 -2.887 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.908 -4.601 -3.474 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.685 -2.811 -3.945 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.285 -4.311 -4.833 1.00 0.00 C ATOM 0 H ILE A 95 14.303 -3.483 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 95 16.093 -4.844 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 95 14.080 -2.645 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.542 -5.484 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.113 -4.847 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.092 -2.446 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.232 -1.981 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.391 -3.562 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.715 -5.179 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.621 -3.450 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.072 -4.096 -5.556 1.00 0.00 H new ATOM 1410 N PHE A 96 17.823 -3.125 -1.452 1.00 0.00 N ATOM 1411 CA PHE A 96 18.868 -2.158 -1.199 1.00 0.00 C ATOM 1412 C PHE A 96 19.759 -2.124 -2.438 1.00 0.00 C ATOM 1413 O PHE A 96 20.116 -3.183 -2.960 1.00 0.00 O ATOM 1414 CB PHE A 96 19.708 -2.488 0.047 1.00 0.00 C ATOM 1415 CG PHE A 96 20.885 -1.532 0.140 1.00 0.00 C ATOM 1416 CD1 PHE A 96 20.649 -0.200 0.521 1.00 0.00 C ATOM 1417 CD2 PHE A 96 22.143 -1.892 -0.393 1.00 0.00 C ATOM 1418 CE1 PHE A 96 21.647 0.766 0.342 1.00 0.00 C ATOM 1419 CE2 PHE A 96 23.145 -0.916 -0.566 1.00 0.00 C ATOM 1420 CZ PHE A 96 22.898 0.412 -0.184 1.00 0.00 C ATOM 0 H PHE A 96 18.162 -3.963 -1.924 1.00 0.00 H new ATOM 0 HA PHE A 96 18.410 -1.189 -1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.092 -2.410 0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.066 -3.516 -0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.699 0.078 0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 96 22.337 -2.918 -0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.451 1.793 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 96 24.100 -1.189 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.670 1.159 -0.295 1.00 0.00 H new ATOM 1430 N GLU A 97 20.150 -0.927 -2.871 1.00 0.00 N ATOM 1431 CA GLU A 97 21.158 -0.695 -3.894 1.00 0.00 C ATOM 1432 C GLU A 97 21.904 0.592 -3.546 1.00 0.00 C ATOM 1433 O GLU A 97 21.322 1.514 -2.975 1.00 0.00 O ATOM 1434 CB GLU A 97 20.497 -0.504 -5.266 1.00 0.00 C ATOM 1435 CG GLU A 97 20.155 -1.807 -5.985 1.00 0.00 C ATOM 1436 CD GLU A 97 19.344 -1.555 -7.267 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.689 -0.638 -8.045 1.00 0.00 O ATOM 1438 OE2 GLU A 97 18.361 -2.292 -7.510 1.00 0.00 O ATOM 0 H GLU A 97 19.756 -0.061 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 97 21.832 -1.551 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.584 0.078 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.163 0.083 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.074 -2.337 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.586 -2.453 -5.316 1.00 0.00 H new ATOM 1445 N ASP A 98 23.164 0.671 -3.973 1.00 0.00 N ATOM 1446 CA ASP A 98 23.981 1.883 -3.942 1.00 0.00 C ATOM 1447 C ASP A 98 24.324 2.309 -5.373 1.00 0.00 C ATOM 1448 O ASP A 98 24.819 1.493 -6.154 1.00 0.00 O ATOM 1449 CB ASP A 98 25.262 1.734 -3.117 1.00 0.00 C ATOM 1450 CG ASP A 98 26.088 3.036 -3.201 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.599 4.098 -2.750 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.214 2.994 -3.744 1.00 0.00 O ATOM 0 H ASP A 98 23.659 -0.132 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 98 23.386 2.651 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.014 1.515 -2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.850 0.894 -3.488 1.00 0.00 H new ATOM 1457 N TRP A 99 24.040 3.562 -5.731 1.00 0.00 N ATOM 1458 CA TRP A 99 24.169 4.107 -7.081 1.00 0.00 C ATOM 1459 C TRP A 99 25.385 5.042 -7.104 1.00 0.00 C ATOM 1460 O TRP A 99 25.307 6.225 -6.761 1.00 0.00 O ATOM 1461 CB TRP A 99 22.842 4.756 -7.535 1.00 0.00 C ATOM 1462 CG TRP A 99 21.617 3.873 -7.638 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.507 2.544 -7.383 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.276 4.281 -8.048 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.227 2.110 -7.654 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.398 3.151 -8.000 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.721 5.512 -8.451 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.026 3.248 -8.300 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.353 5.624 -8.745 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.517 4.501 -8.663 1.00 0.00 C ATOM 0 H TRP A 99 23.700 4.252 -5.061 1.00 0.00 H new ATOM 0 HA TRP A 99 24.353 3.323 -7.815 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.612 5.566 -6.842 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.009 5.210 -8.512 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.308 1.917 -7.020 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.931 1.135 -7.604 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.357 6.381 -8.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.384 2.381 -8.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.942 6.580 -9.036 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.465 4.604 -8.883 1.00 0.00 H new ATOM 1481 N GLN A 100 26.543 4.473 -7.452 1.00 0.00 N ATOM 1482 CA GLN A 100 27.820 5.170 -7.550 1.00 0.00 C ATOM 1483 C GLN A 100 27.788 6.121 -8.758 1.00 0.00 C ATOM 1484 O GLN A 100 27.900 5.673 -9.901 1.00 0.00 O ATOM 1485 CB GLN A 100 28.947 4.123 -7.653 1.00 0.00 C ATOM 1486 CG GLN A 100 30.355 4.734 -7.573 1.00 0.00 C ATOM 1487 CD GLN A 100 31.451 3.697 -7.839 1.00 0.00 C ATOM 1488 OE1 GLN A 100 32.219 3.812 -8.791 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.556 2.662 -7.018 1.00 0.00 N ATOM 0 H GLN A 100 26.615 3.481 -7.680 1.00 0.00 H new ATOM 0 HA GLN A 100 28.007 5.778 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.829 3.393 -6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.846 3.582 -8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.440 5.544 -8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.504 5.172 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.916 2.570 -6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.276 1.957 -7.175 1.00 0.00 H new ATOM 1498 N LEU A 101 27.630 7.425 -8.511 1.00 0.00 N ATOM 1499 CA LEU A 101 27.511 8.473 -9.518 1.00 0.00 C ATOM 1500 C LEU A 101 28.353 9.686 -9.130 1.00 0.00 C ATOM 1501 O LEU A 101 28.678 9.878 -7.957 1.00 0.00 O ATOM 1502 CB LEU A 101 26.040 8.919 -9.621 1.00 0.00 C ATOM 1503 CG LEU A 101 25.138 8.158 -10.606 1.00 0.00 C ATOM 1504 CD1 LEU A 101 25.780 7.898 -11.973 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.566 6.860 -10.042 1.00 0.00 C ATOM 0 H LEU A 101 27.580 7.791 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 101 27.860 8.076 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.595 8.843 -8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.026 9.973 -9.897 1.00 0.00 H new ATOM 0 HG LEU A 101 24.309 8.848 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 101 25.078 7.357 -12.608 1.00 0.00 H new ATOM 0 HD12 LEU A 101 26.035 8.848 -12.442 1.00 0.00 H new ATOM 0 HD13 LEU A 101 26.684 7.303 -11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.941 6.381 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 101 25.382 6.191 -9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 101 23.966 7.080 -9.159 1.00 0.00 H new ATOM 1517 N GLU A 102 28.638 10.538 -10.117 1.00 0.00 N ATOM 1518 CA GLU A 102 29.444 11.741 -10.001 1.00 0.00 C ATOM 1519 C GLU A 102 28.630 12.899 -9.450 1.00 0.00 C ATOM 1520 O GLU A 102 28.352 13.872 -10.146 1.00 0.00 O ATOM 1521 CB GLU A 102 30.148 12.054 -11.333 1.00 0.00 C ATOM 1522 CG GLU A 102 31.212 11.006 -11.681 1.00 0.00 C ATOM 1523 CD GLU A 102 32.443 11.080 -10.757 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.348 11.909 -11.005 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.531 10.295 -9.786 1.00 0.00 O ATOM 0 H GLU A 102 28.292 10.394 -11.066 1.00 0.00 H new ATOM 0 HA GLU A 102 30.236 11.569 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.408 12.099 -12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.614 13.038 -11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.772 10.011 -11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.529 11.145 -12.714 1.00 0.00 H new ATOM 1532 N ASP A 103 28.249 12.717 -8.184 1.00 0.00 N ATOM 1533 CA ASP A 103 27.641 13.662 -7.244 1.00 0.00 C ATOM 1534 C ASP A 103 27.660 15.111 -7.775 1.00 0.00 C ATOM 1535 O ASP A 103 28.678 15.800 -7.654 1.00 0.00 O ATOM 1536 CB ASP A 103 28.367 13.512 -5.910 1.00 0.00 C ATOM 1537 CG ASP A 103 27.629 14.231 -4.778 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.837 15.447 -4.579 1.00 0.00 O ATOM 1539 OD2 ASP A 103 26.868 13.529 -4.075 1.00 0.00 O ATOM 0 H ASP A 103 28.372 11.805 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 103 26.583 13.433 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.465 12.454 -5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.377 13.913 -5.998 1.00 0.00 H new ATOM 1544 N PRO A 104 26.583 15.531 -8.469 1.00 0.00 N ATOM 1545 CA PRO A 104 26.502 16.769 -9.236 1.00 0.00 C ATOM 1546 C PRO A 104 26.765 18.086 -8.502 1.00 0.00 C ATOM 1547 O PRO A 104 26.860 19.115 -9.167 1.00 0.00 O ATOM 1548 CB PRO A 104 25.132 16.774 -9.906 1.00 0.00 C ATOM 1549 CG PRO A 104 24.818 15.297 -10.049 1.00 0.00 C ATOM 1550 CD PRO A 104 25.483 14.662 -8.836 1.00 0.00 C ATOM 0 HA PRO A 104 27.335 16.750 -9.939 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.387 17.288 -9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.157 17.277 -10.873 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.743 15.116 -10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.215 14.892 -10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.775 14.563 -8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.842 13.660 -9.070 1.00 0.00 H new ATOM 1558 N ASP A 105 26.893 18.103 -7.177 1.00 0.00 N ATOM 1559 CA ASP A 105 27.160 19.316 -6.406 1.00 0.00 C ATOM 1560 C ASP A 105 28.454 20.014 -6.866 1.00 0.00 C ATOM 1561 O ASP A 105 29.563 19.649 -6.466 1.00 0.00 O ATOM 1562 CB ASP A 105 27.176 19.003 -4.907 1.00 0.00 C ATOM 1563 CG ASP A 105 27.153 20.284 -4.061 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.138 21.054 -4.046 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.147 20.470 -3.340 1.00 0.00 O ATOM 0 H ASP A 105 26.813 17.265 -6.601 1.00 0.00 H new ATOM 0 HA ASP A 105 26.350 20.021 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.315 18.384 -4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.067 18.423 -4.665 1.00 0.00 H new ATOM 1570 N GLY A 106 28.300 20.995 -7.757 1.00 0.00 N ATOM 1571 CA GLY A 106 29.337 21.898 -8.237 1.00 0.00 C ATOM 1572 C GLY A 106 29.923 21.481 -9.589 1.00 0.00 C ATOM 1573 O GLY A 106 30.991 21.979 -9.953 1.00 0.00 O ATOM 0 H GLY A 106 27.394 21.188 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.923 22.903 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.139 21.945 -7.500 1.00 0.00 H new ATOM 1577 N GLN A 107 29.283 20.557 -10.318 1.00 0.00 N ATOM 1578 CA GLN A 107 29.878 19.943 -11.505 1.00 0.00 C ATOM 1579 C GLN A 107 29.495 20.671 -12.799 1.00 0.00 C ATOM 1580 O GLN A 107 28.725 21.635 -12.801 1.00 0.00 O ATOM 1581 CB GLN A 107 29.480 18.462 -11.596 1.00 0.00 C ATOM 1582 CG GLN A 107 29.663 17.656 -10.307 1.00 0.00 C ATOM 1583 CD GLN A 107 31.091 17.388 -9.845 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.078 17.846 -10.416 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.211 16.604 -8.787 1.00 0.00 N ATOM 0 H GLN A 107 28.346 20.218 -10.101 1.00 0.00 H new ATOM 0 HA GLN A 107 30.959 20.025 -11.397 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.434 18.401 -11.898 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.067 17.993 -12.385 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.142 18.180 -9.505 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.165 16.695 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.378 16.235 -8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.137 16.368 -8.429 1.00 0.00 H new ATOM 1594 N SER A 108 30.045 20.177 -13.909 1.00 0.00 N ATOM 1595 CA SER A 108 29.760 20.627 -15.264 1.00 0.00 C ATOM 1596 C SER A 108 28.386 20.115 -15.706 1.00 0.00 C ATOM 1597 O SER A 108 27.941 19.061 -15.246 1.00 0.00 O ATOM 1598 CB SER A 108 30.851 20.052 -16.174 1.00 0.00 C ATOM 1599 OG SER A 108 32.141 20.457 -15.736 1.00 0.00 O ATOM 0 H SER A 108 30.729 19.421 -13.883 1.00 0.00 H new ATOM 0 HA SER A 108 29.749 21.716 -15.316 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.789 18.964 -16.180 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.689 20.386 -17.199 1.00 0.00 H new ATOM 0 HG SER A 108 32.822 20.078 -16.330 1.00 0.00 H new ATOM 1605 N LEU A 109 27.732 20.803 -16.649 1.00 0.00 N ATOM 1606 CA LEU A 109 26.411 20.407 -17.145 1.00 0.00 C ATOM 1607 C LEU A 109 26.434 19.012 -17.768 1.00 0.00 C ATOM 1608 O LEU A 109 25.439 18.298 -17.688 1.00 0.00 O ATOM 1609 CB LEU A 109 25.868 21.425 -18.163 1.00 0.00 C ATOM 1610 CG LEU A 109 25.461 22.779 -17.550 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.102 23.764 -18.668 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.268 22.655 -16.592 1.00 0.00 C ATOM 0 H LEU A 109 28.102 21.646 -17.087 1.00 0.00 H new ATOM 0 HA LEU A 109 25.746 20.385 -16.282 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.627 21.598 -18.926 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.003 20.992 -18.666 1.00 0.00 H new ATOM 0 HG LEU A 109 26.314 23.141 -16.976 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.815 24.721 -18.232 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.965 23.906 -19.318 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.271 23.366 -19.250 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.022 23.637 -16.188 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.408 22.259 -17.132 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.526 21.981 -15.775 1.00 0.00 H new ATOM 1624 N GLU A 110 27.564 18.601 -18.349 1.00 0.00 N ATOM 1625 CA GLU A 110 27.732 17.251 -18.876 1.00 0.00 C ATOM 1626 C GLU A 110 27.623 16.208 -17.754 1.00 0.00 C ATOM 1627 O GLU A 110 26.996 15.165 -17.943 1.00 0.00 O ATOM 1628 CB GLU A 110 29.080 17.162 -19.610 1.00 0.00 C ATOM 1629 CG GLU A 110 29.279 15.810 -20.311 1.00 0.00 C ATOM 1630 CD GLU A 110 30.579 15.788 -21.134 1.00 0.00 C ATOM 1631 OE1 GLU A 110 31.651 15.449 -20.583 1.00 0.00 O ATOM 1632 OE2 GLU A 110 30.543 16.091 -22.348 1.00 0.00 O ATOM 0 H GLU A 110 28.384 19.196 -18.466 1.00 0.00 H new ATOM 0 HA GLU A 110 26.934 17.033 -19.586 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.142 17.963 -20.347 1.00 0.00 H new ATOM 0 HB3 GLU A 110 29.889 17.321 -18.897 1.00 0.00 H new ATOM 0 HG2 GLU A 110 29.304 15.014 -19.567 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.430 15.609 -20.964 1.00 0.00 H new ATOM 1639 N VAL A 111 28.187 16.487 -16.574 1.00 0.00 N ATOM 1640 CA VAL A 111 28.091 15.595 -15.422 1.00 0.00 C ATOM 1641 C VAL A 111 26.638 15.558 -14.957 1.00 0.00 C ATOM 1642 O VAL A 111 26.108 14.469 -14.748 1.00 0.00 O ATOM 1643 CB VAL A 111 29.047 16.040 -14.302 1.00 0.00 C ATOM 1644 CG1 VAL A 111 28.928 15.138 -13.067 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.508 16.029 -14.781 1.00 0.00 C ATOM 0 H VAL A 111 28.721 17.337 -16.395 1.00 0.00 H new ATOM 0 HA VAL A 111 28.396 14.587 -15.703 1.00 0.00 H new ATOM 0 HB VAL A 111 28.758 17.056 -14.033 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.618 15.483 -12.297 1.00 0.00 H new ATOM 0 HG12 VAL A 111 27.908 15.178 -12.684 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.173 14.112 -13.341 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.160 16.348 -13.968 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.782 15.021 -15.091 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.620 16.711 -15.624 1.00 0.00 H new ATOM 1655 N PHE A 112 25.973 16.716 -14.858 1.00 0.00 N ATOM 1656 CA PHE A 112 24.557 16.774 -14.512 1.00 0.00 C ATOM 1657 C PHE A 112 23.729 15.907 -15.462 1.00 0.00 C ATOM 1658 O PHE A 112 22.999 15.038 -14.994 1.00 0.00 O ATOM 1659 CB PHE A 112 24.052 18.220 -14.517 1.00 0.00 C ATOM 1660 CG PHE A 112 24.239 18.932 -13.203 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.248 18.832 -12.206 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.411 19.668 -12.965 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.449 19.441 -10.957 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.613 20.271 -11.718 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.646 20.134 -10.713 1.00 0.00 C ATOM 0 H PHE A 112 26.401 17.628 -15.015 1.00 0.00 H new ATOM 0 HA PHE A 112 24.440 16.379 -13.503 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.573 18.774 -15.298 1.00 0.00 H new ATOM 0 HB3 PHE A 112 22.993 18.225 -14.775 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.336 18.288 -12.402 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.154 19.769 -13.742 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.690 19.377 -10.191 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.512 20.840 -11.531 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.823 20.566 -9.739 1.00 0.00 H new ATOM 1675 N ARG A 113 23.861 16.095 -16.780 1.00 0.00 N ATOM 1676 CA ARG A 113 23.138 15.294 -17.770 1.00 0.00 C ATOM 1677 C ARG A 113 23.455 13.810 -17.643 1.00 0.00 C ATOM 1678 O ARG A 113 22.526 13.004 -17.710 1.00 0.00 O ATOM 1679 CB ARG A 113 23.415 15.803 -19.196 1.00 0.00 C ATOM 1680 CG ARG A 113 22.682 17.132 -19.430 1.00 0.00 C ATOM 1681 CD ARG A 113 22.946 17.793 -20.783 1.00 0.00 C ATOM 1682 NE ARG A 113 22.591 16.936 -21.928 1.00 0.00 N ATOM 1683 CZ ARG A 113 21.418 16.907 -22.575 1.00 0.00 C ATOM 1684 NH1 ARG A 113 20.354 17.567 -22.120 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.313 16.204 -23.698 1.00 0.00 N ATOM 0 H ARG A 113 24.470 16.804 -17.188 1.00 0.00 H new ATOM 0 HA ARG A 113 22.073 15.411 -17.568 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.487 15.939 -19.341 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.086 15.063 -19.926 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.610 16.959 -19.331 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.967 17.829 -18.642 1.00 0.00 H new ATOM 0 HD2 ARG A 113 22.378 18.722 -20.843 1.00 0.00 H new ATOM 0 HD3 ARG A 113 24.001 18.059 -20.850 1.00 0.00 H new ATOM 0 HE ARG A 113 23.313 16.299 -22.263 1.00 0.00 H new ATOM 0 HH11 ARG A 113 20.421 18.111 -21.260 1.00 0.00 H new ATOM 0 HH12 ARG A 113 19.473 17.528 -22.632 1.00 0.00 H new ATOM 0 HH21 ARG A 113 22.120 15.694 -24.058 1.00 0.00 H new ATOM 0 HH22 ARG A 113 20.425 16.174 -24.200 1.00 0.00 H new ATOM 1699 N THR A 114 24.718 13.433 -17.430 1.00 0.00 N ATOM 1700 CA THR A 114 25.093 12.045 -17.279 1.00 0.00 C ATOM 1701 C THR A 114 24.391 11.469 -16.048 1.00 0.00 C ATOM 1702 O THR A 114 23.681 10.470 -16.160 1.00 0.00 O ATOM 1703 CB THR A 114 26.625 11.960 -17.196 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.223 12.533 -18.343 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.086 10.514 -17.099 1.00 0.00 C ATOM 0 H THR A 114 25.498 14.086 -17.359 1.00 0.00 H new ATOM 0 HA THR A 114 24.777 11.447 -18.134 1.00 0.00 H new ATOM 0 HB THR A 114 26.927 12.507 -16.303 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.356 13.493 -18.198 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.174 10.482 -17.042 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.662 10.056 -16.205 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.753 9.966 -17.980 1.00 0.00 H new ATOM 1713 N VAL A 115 24.527 12.109 -14.885 1.00 0.00 N ATOM 1714 CA VAL A 115 23.935 11.620 -13.652 1.00 0.00 C ATOM 1715 C VAL A 115 22.414 11.587 -13.775 1.00 0.00 C ATOM 1716 O VAL A 115 21.831 10.573 -13.401 1.00 0.00 O ATOM 1717 CB VAL A 115 24.445 12.432 -12.454 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.720 12.071 -11.149 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.954 12.206 -12.252 1.00 0.00 C ATOM 0 H VAL A 115 25.050 12.978 -14.778 1.00 0.00 H new ATOM 0 HA VAL A 115 24.248 10.592 -13.471 1.00 0.00 H new ATOM 0 HB VAL A 115 24.243 13.478 -12.684 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.118 12.674 -10.333 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.654 12.268 -11.259 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.873 11.015 -10.928 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.298 12.790 -11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.142 11.148 -12.068 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.492 12.520 -13.147 1.00 0.00 H new ATOM 1729 N ARG A 116 21.769 12.613 -14.350 1.00 0.00 N ATOM 1730 CA ARG A 116 20.326 12.611 -14.565 1.00 0.00 C ATOM 1731 C ARG A 116 19.944 11.352 -15.317 1.00 0.00 C ATOM 1732 O ARG A 116 19.045 10.648 -14.872 1.00 0.00 O ATOM 1733 CB ARG A 116 19.843 13.878 -15.312 1.00 0.00 C ATOM 1734 CG ARG A 116 18.457 13.625 -15.939 1.00 0.00 C ATOM 1735 CD ARG A 116 17.672 14.842 -16.411 1.00 0.00 C ATOM 1736 NE ARG A 116 18.235 15.472 -17.621 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.048 15.054 -18.882 1.00 0.00 C ATOM 1738 NH1 ARG A 116 17.379 13.931 -19.144 1.00 0.00 N ATOM 1739 NH2 ARG A 116 18.536 15.765 -19.887 1.00 0.00 N ATOM 0 H ARG A 116 22.235 13.460 -14.675 1.00 0.00 H new ATOM 0 HA ARG A 116 19.830 12.624 -13.595 1.00 0.00 H new ATOM 0 HB2 ARG A 116 19.791 14.720 -14.621 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.559 14.147 -16.089 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.589 12.957 -16.790 1.00 0.00 H new ATOM 0 HG3 ARG A 116 17.848 13.093 -15.208 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.642 14.545 -16.611 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.641 15.579 -15.608 1.00 0.00 H new ATOM 0 HE ARG A 116 18.818 16.298 -17.487 1.00 0.00 H new ATOM 0 HH11 ARG A 116 16.999 13.373 -18.379 1.00 0.00 H new ATOM 0 HH12 ARG A 116 17.247 13.629 -20.109 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.051 16.625 -19.700 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.397 15.452 -20.848 1.00 0.00 H new ATOM 1753 N GLY A 117 20.593 11.086 -16.449 1.00 0.00 N ATOM 1754 CA GLY A 117 20.181 9.985 -17.299 1.00 0.00 C ATOM 1755 C GLY A 117 20.366 8.661 -16.574 1.00 0.00 C ATOM 1756 O GLY A 117 19.440 7.854 -16.546 1.00 0.00 O ATOM 0 H GLY A 117 21.396 11.614 -16.791 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.136 10.108 -17.585 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.765 9.988 -18.219 1.00 0.00 H new ATOM 1760 N GLN A 118 21.519 8.469 -15.931 1.00 0.00 N ATOM 1761 CA GLN A 118 21.867 7.239 -15.240 1.00 0.00 C ATOM 1762 C GLN A 118 20.900 6.966 -14.079 1.00 0.00 C ATOM 1763 O GLN A 118 20.368 5.861 -13.963 1.00 0.00 O ATOM 1764 CB GLN A 118 23.323 7.346 -14.755 1.00 0.00 C ATOM 1765 CG GLN A 118 24.377 7.422 -15.880 1.00 0.00 C ATOM 1766 CD GLN A 118 24.769 6.086 -16.513 1.00 0.00 C ATOM 1767 OE1 GLN A 118 24.060 5.086 -16.431 1.00 0.00 O ATOM 1768 NE2 GLN A 118 25.921 6.042 -17.163 1.00 0.00 N ATOM 0 H GLN A 118 22.247 9.181 -15.878 1.00 0.00 H new ATOM 0 HA GLN A 118 21.779 6.394 -15.922 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.418 8.232 -14.127 1.00 0.00 H new ATOM 0 HB3 GLN A 118 23.546 6.484 -14.126 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.998 8.077 -16.664 1.00 0.00 H new ATOM 0 HG3 GLN A 118 25.276 7.891 -15.480 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.503 6.877 -17.226 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.227 5.173 -17.601 1.00 0.00 H new ATOM 1777 N VAL A 119 20.668 7.962 -13.227 1.00 0.00 N ATOM 1778 CA VAL A 119 19.726 7.928 -12.111 1.00 0.00 C ATOM 1779 C VAL A 119 18.299 7.721 -12.623 1.00 0.00 C ATOM 1780 O VAL A 119 17.621 6.844 -12.095 1.00 0.00 O ATOM 1781 CB VAL A 119 19.869 9.216 -11.261 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.807 9.368 -10.162 1.00 0.00 C ATOM 1783 CG2 VAL A 119 21.238 9.252 -10.560 1.00 0.00 C ATOM 0 H VAL A 119 21.154 8.856 -13.299 1.00 0.00 H new ATOM 0 HA VAL A 119 19.956 7.082 -11.464 1.00 0.00 H new ATOM 0 HB VAL A 119 19.747 10.030 -11.976 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.980 10.295 -9.615 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.816 9.393 -10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.871 8.524 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 119 21.320 10.164 -9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 119 21.335 8.385 -9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 119 22.030 9.233 -11.308 1.00 0.00 H new ATOM 1793 N LYS A 120 17.822 8.461 -13.636 1.00 0.00 N ATOM 1794 CA LYS A 120 16.452 8.305 -14.124 1.00 0.00 C ATOM 1795 C LYS A 120 16.215 6.877 -14.594 1.00 0.00 C ATOM 1796 O LYS A 120 15.226 6.258 -14.206 1.00 0.00 O ATOM 1797 CB LYS A 120 16.190 9.325 -15.244 1.00 0.00 C ATOM 1798 CG LYS A 120 14.827 9.114 -15.913 1.00 0.00 C ATOM 1799 CD LYS A 120 14.577 10.177 -16.988 1.00 0.00 C ATOM 1800 CE LYS A 120 13.267 9.903 -17.737 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.338 8.730 -18.645 1.00 0.00 N ATOM 0 H LYS A 120 18.366 9.169 -14.128 1.00 0.00 H new ATOM 0 HA LYS A 120 15.749 8.499 -13.314 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.239 10.333 -14.833 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.977 9.248 -15.994 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.787 8.121 -16.361 1.00 0.00 H new ATOM 0 HG3 LYS A 120 14.038 9.157 -15.162 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.537 11.164 -16.527 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.408 10.189 -17.693 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.469 9.743 -17.011 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.998 10.786 -18.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.707 8.881 -19.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.314 8.611 -18.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.043 7.875 -18.132 1.00 0.00 H new ATOM 1815 N GLU A 121 17.141 6.349 -15.388 1.00 0.00 N ATOM 1816 CA GLU A 121 17.131 4.971 -15.831 1.00 0.00 C ATOM 1817 C GLU A 121 17.032 4.049 -14.620 1.00 0.00 C ATOM 1818 O GLU A 121 16.223 3.130 -14.629 1.00 0.00 O ATOM 1819 CB GLU A 121 18.411 4.736 -16.658 1.00 0.00 C ATOM 1820 CG GLU A 121 19.135 3.400 -16.479 1.00 0.00 C ATOM 1821 CD GLU A 121 18.342 2.151 -16.910 1.00 0.00 C ATOM 1822 OE1 GLU A 121 17.621 2.193 -17.933 1.00 0.00 O ATOM 1823 OE2 GLU A 121 18.491 1.098 -16.250 1.00 0.00 O ATOM 0 H GLU A 121 17.933 6.883 -15.745 1.00 0.00 H new ATOM 0 HA GLU A 121 16.268 4.753 -16.461 1.00 0.00 H new ATOM 0 HB2 GLU A 121 18.154 4.840 -17.712 1.00 0.00 H new ATOM 0 HB3 GLU A 121 19.115 5.534 -16.421 1.00 0.00 H new ATOM 0 HG2 GLU A 121 20.065 3.432 -17.047 1.00 0.00 H new ATOM 0 HG3 GLU A 121 19.406 3.292 -15.429 1.00 0.00 H new ATOM 1830 N ARG A 122 17.828 4.282 -13.574 1.00 0.00 N ATOM 1831 CA ARG A 122 17.873 3.386 -12.428 1.00 0.00 C ATOM 1832 C ARG A 122 16.573 3.449 -11.636 1.00 0.00 C ATOM 1833 O ARG A 122 16.117 2.398 -11.212 1.00 0.00 O ATOM 1834 CB ARG A 122 19.102 3.678 -11.566 1.00 0.00 C ATOM 1835 CG ARG A 122 20.391 3.154 -12.202 1.00 0.00 C ATOM 1836 CD ARG A 122 21.608 3.872 -11.607 1.00 0.00 C ATOM 1837 NE ARG A 122 22.880 3.335 -12.124 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.346 3.457 -13.374 1.00 0.00 C ATOM 1839 NH1 ARG A 122 22.618 4.042 -14.320 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.552 2.995 -13.683 1.00 0.00 N ATOM 0 H ARG A 122 18.450 5.087 -13.502 1.00 0.00 H new ATOM 0 HA ARG A 122 17.970 2.361 -12.786 1.00 0.00 H new ATOM 0 HB2 ARG A 122 19.187 4.753 -11.410 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.972 3.222 -10.584 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.476 2.080 -12.035 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.361 3.308 -13.281 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.546 4.936 -11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.590 3.776 -10.521 1.00 0.00 H new ATOM 0 HE ARG A 122 23.463 2.820 -11.465 1.00 0.00 H new ATOM 0 HH11 ARG A 122 21.691 4.405 -14.099 1.00 0.00 H new ATOM 0 HH12 ARG A 122 22.986 4.128 -15.267 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.125 2.546 -12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 122 24.905 3.089 -14.635 1.00 0.00 H new ATOM 1854 N VAL A 123 15.934 4.607 -11.463 1.00 0.00 N ATOM 1855 CA VAL A 123 14.592 4.704 -10.913 1.00 0.00 C ATOM 1856 C VAL A 123 13.633 3.836 -11.738 1.00 0.00 C ATOM 1857 O VAL A 123 12.913 3.029 -11.154 1.00 0.00 O ATOM 1858 CB VAL A 123 14.158 6.179 -10.865 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.717 6.302 -10.378 1.00 0.00 C ATOM 1860 CG2 VAL A 123 15.022 7.022 -9.915 1.00 0.00 C ATOM 0 H VAL A 123 16.342 5.510 -11.705 1.00 0.00 H new ATOM 0 HA VAL A 123 14.573 4.327 -9.890 1.00 0.00 H new ATOM 0 HB VAL A 123 14.270 6.549 -11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.430 7.353 -10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.056 5.763 -11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.634 5.878 -9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.670 8.054 -9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.949 6.620 -8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 123 16.061 6.991 -10.244 1.00 0.00 H new ATOM 1870 N GLU A 124 13.624 3.948 -13.072 1.00 0.00 N ATOM 1871 CA GLU A 124 12.739 3.138 -13.909 1.00 0.00 C ATOM 1872 C GLU A 124 13.043 1.646 -13.733 1.00 0.00 C ATOM 1873 O GLU A 124 12.134 0.821 -13.644 1.00 0.00 O ATOM 1874 CB GLU A 124 12.854 3.528 -15.395 1.00 0.00 C ATOM 1875 CG GLU A 124 12.350 4.945 -15.692 1.00 0.00 C ATOM 1876 CD GLU A 124 12.420 5.292 -17.189 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.668 4.695 -17.995 1.00 0.00 O ATOM 1878 OE2 GLU A 124 13.202 6.193 -17.568 1.00 0.00 O ATOM 0 H GLU A 124 14.220 4.592 -13.592 1.00 0.00 H new ATOM 0 HA GLU A 124 11.716 3.332 -13.586 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.896 3.448 -15.705 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.288 2.816 -15.995 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.320 5.041 -15.348 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.943 5.664 -15.127 1.00 0.00 H new ATOM 1885 N ASN A 125 14.328 1.312 -13.638 1.00 0.00 N ATOM 1886 CA ASN A 125 14.837 -0.034 -13.437 1.00 0.00 C ATOM 1887 C ASN A 125 14.336 -0.586 -12.105 1.00 0.00 C ATOM 1888 O ASN A 125 13.823 -1.699 -12.045 1.00 0.00 O ATOM 1889 CB ASN A 125 16.375 0.013 -13.493 1.00 0.00 C ATOM 1890 CG ASN A 125 17.031 -1.302 -13.877 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.734 -2.357 -13.325 1.00 0.00 O ATOM 1892 ND2 ASN A 125 17.958 -1.249 -14.821 1.00 0.00 N ATOM 0 H ASN A 125 15.072 2.006 -13.702 1.00 0.00 H new ATOM 0 HA ASN A 125 14.478 -0.702 -14.220 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.677 0.778 -14.209 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.752 0.322 -12.518 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.445 -2.099 -15.106 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.185 -0.358 -15.263 1.00 0.00 H new ATOM 1899 N LEU A 126 14.429 0.219 -11.043 1.00 0.00 N ATOM 1900 CA LEU A 126 13.967 -0.123 -9.709 1.00 0.00 C ATOM 1901 C LEU A 126 12.463 -0.354 -9.739 1.00 0.00 C ATOM 1902 O LEU A 126 12.031 -1.428 -9.338 1.00 0.00 O ATOM 1903 CB LEU A 126 14.508 0.844 -8.626 1.00 0.00 C ATOM 1904 CG LEU A 126 13.482 1.763 -7.954 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.658 0.997 -6.916 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.164 2.910 -7.217 1.00 0.00 C ATOM 0 H LEU A 126 14.840 1.151 -11.097 1.00 0.00 H new ATOM 0 HA LEU A 126 14.397 -1.072 -9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.993 0.251 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.278 1.467 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 126 12.844 2.146 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.937 1.672 -6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.128 0.179 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.321 0.594 -6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.409 3.543 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.824 2.507 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.747 3.501 -7.923 1.00 0.00 H new ATOM 1918 N ILE A 127 11.675 0.587 -10.264 1.00 0.00 N ATOM 1919 CA ILE A 127 10.233 0.454 -10.403 1.00 0.00 C ATOM 1920 C ILE A 127 9.903 -0.858 -11.123 1.00 0.00 C ATOM 1921 O ILE A 127 8.963 -1.537 -10.716 1.00 0.00 O ATOM 1922 CB ILE A 127 9.663 1.691 -11.140 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.697 2.966 -10.262 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.216 1.413 -11.567 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.457 4.276 -11.039 1.00 0.00 C ATOM 0 H ILE A 127 12.033 1.477 -10.609 1.00 0.00 H new ATOM 0 HA ILE A 127 9.762 0.415 -9.421 1.00 0.00 H new ATOM 0 HB ILE A 127 10.293 1.869 -12.011 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.941 2.876 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.665 3.025 -9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.816 2.284 -12.086 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.193 0.551 -12.234 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.610 1.206 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.497 5.120 -10.350 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.227 4.393 -11.802 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.477 4.242 -11.515 1.00 0.00 H new ATOM 1937 N ALA A 128 10.654 -1.253 -12.151 1.00 0.00 N ATOM 1938 CA ALA A 128 10.324 -2.433 -12.946 1.00 0.00 C ATOM 1939 C ALA A 128 10.347 -3.713 -12.096 1.00 0.00 C ATOM 1940 O ALA A 128 9.591 -4.650 -12.357 1.00 0.00 O ATOM 1941 CB ALA A 128 11.269 -2.552 -14.147 1.00 0.00 C ATOM 0 H ALA A 128 11.500 -0.769 -12.453 1.00 0.00 H new ATOM 0 HA ALA A 128 9.307 -2.311 -13.318 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.009 -3.437 -14.728 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.174 -1.665 -14.774 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.297 -2.639 -13.794 1.00 0.00 H new ATOM 1947 N LYS A 129 11.200 -3.746 -11.070 1.00 0.00 N ATOM 1948 CA LYS A 129 11.344 -4.857 -10.139 1.00 0.00 C ATOM 1949 C LYS A 129 10.127 -4.979 -9.219 1.00 0.00 C ATOM 1950 O LYS A 129 9.723 -6.094 -8.888 1.00 0.00 O ATOM 1951 CB LYS A 129 12.609 -4.643 -9.300 1.00 0.00 C ATOM 1952 CG LYS A 129 13.876 -4.617 -10.166 1.00 0.00 C ATOM 1953 CD LYS A 129 15.106 -4.226 -9.344 1.00 0.00 C ATOM 1954 CE LYS A 129 16.173 -3.642 -10.282 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.540 -3.700 -9.714 1.00 0.00 N ATOM 0 H LYS A 129 11.829 -2.971 -10.861 1.00 0.00 H new ATOM 0 HA LYS A 129 11.421 -5.781 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.526 -3.705 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.692 -5.439 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.033 -5.598 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.744 -3.910 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.833 -3.494 -8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.501 -5.097 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.155 -4.186 -11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.923 -2.605 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.237 -3.535 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.643 -2.969 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.701 -4.637 -9.292 1.00 0.00 H new ATOM 1969 N ILE A 130 9.554 -3.847 -8.799 1.00 0.00 N ATOM 1970 CA ILE A 130 8.536 -3.762 -7.760 1.00 0.00 C ATOM 1971 C ILE A 130 7.101 -3.629 -8.278 1.00 0.00 C ATOM 1972 O ILE A 130 6.164 -3.992 -7.565 1.00 0.00 O ATOM 1973 CB ILE A 130 8.875 -2.601 -6.805 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.149 -1.257 -7.496 1.00 0.00 C ATOM 1975 CG2 ILE A 130 10.042 -3.031 -5.895 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.451 -0.101 -6.541 1.00 0.00 C ATOM 0 H ILE A 130 9.798 -2.937 -9.189 1.00 0.00 H new ATOM 0 HA ILE A 130 8.558 -4.716 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 130 7.984 -2.405 -6.209 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.992 -1.378 -8.177 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.284 -0.993 -8.104 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.291 -2.217 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.750 -3.909 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.911 -3.271 -6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.632 0.808 -7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.601 0.053 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.336 -0.339 -5.950 1.00 0.00 H new ATOM 1988 N SER A 131 6.944 -3.092 -9.486 1.00 0.00 N ATOM 1989 CA SER A 131 5.674 -2.878 -10.176 1.00 0.00 C ATOM 1990 C SER A 131 4.762 -4.104 -10.054 1.00 0.00 C ATOM 1991 O SER A 131 3.592 -3.939 -9.652 1.00 0.00 O ATOM 1992 CB SER A 131 5.925 -2.545 -11.648 1.00 0.00 C ATOM 1993 OG SER A 131 6.551 -1.284 -11.735 1.00 0.00 O ATOM 1994 OXT SER A 131 5.205 -5.227 -10.382 1.00 0.00 O ATOM 0 H SER A 131 7.741 -2.778 -10.039 1.00 0.00 H new ATOM 0 HA SER A 131 5.168 -2.037 -9.702 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.554 -3.309 -12.105 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.984 -2.536 -12.198 1.00 0.00 H new ATOM 0 HG SER A 131 7.461 -1.345 -11.376 1.00 0.00 H new TER 2000 SER A 131