USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 990 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 177:sc= -2.68 (180deg=-3) USER MOD Set 1.2: A 35 SER OG : rot -118:sc= 1.9 USER MOD Set 1.3: A 73 TYR OH : rot 156:sc= 0.968 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.0073) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0707 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= 1.27 (180deg=1.23) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 1.01 (180deg=0.938) USER MOD Single : A 11 ASN : amide:sc= -0.0612 K(o=-0.061,f=-1.6!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.122 USER MOD Single : A 13 SER OG : rot -100:sc= 0.317 USER MOD Single : A 15 SER OG : rot 140:sc= 0.498 USER MOD Single : A 16 GLN : amide:sc= 0.671 K(o=0.67,f=-0.041) USER MOD Single : A 17 MET CE :methyl -166:sc= -0.581 (180deg=-1.22) USER MOD Single : A 23 LYS NZ :NH3+ 141:sc= 1.62 (180deg=0.889) USER MOD Single : A 24 THR OG1 : rot -140:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 120:sc= 0.517 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 36:sc= 0.854 USER MOD Single : A 43 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.0048) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00388 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 141:sc= -1.28 (180deg=-2.36!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.103 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.308 F(o=-1.5!,f=-0.31) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 62 SER OG : rot 15:sc= 0.898 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.0856 K(o=0.086,f=-7.5!) USER MOD Single : A 78 SER OG : rot -151:sc= 0.384 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.809 K(o=0.81,f=-1.2) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 93 GLN : amide:sc= 0.265 K(o=0.27,f=-0.61) USER MOD Single : A 100 GLN : amide:sc= 0.79 K(o=0.79,f=-8.1!) USER MOD Single : A 107 GLN : amide:sc= 0.64 K(o=0.64,f=-0.52) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 85:sc= 0.721 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 120 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.23) USER MOD Single : A 125 ASN : amide:sc= -0.606 K(o=-0.61,f=-3.3!) USER MOD Single : A 129 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.19) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.246 -0.982 0.697 1.00 0.00 N ATOM 2 CA MET A 1 1.551 -0.685 -0.739 1.00 0.00 C ATOM 3 C MET A 1 2.241 -1.891 -1.409 1.00 0.00 C ATOM 4 O MET A 1 2.858 -2.707 -0.727 1.00 0.00 O ATOM 5 CB MET A 1 2.314 0.661 -0.907 1.00 0.00 C ATOM 6 CG MET A 1 3.847 0.598 -0.785 1.00 0.00 C ATOM 7 SD MET A 1 4.668 2.186 -0.434 1.00 0.00 S ATOM 8 CE MET A 1 4.485 3.036 -2.026 1.00 0.00 C ATOM 0 H1 MET A 1 0.225 -1.148 0.808 1.00 0.00 H new ATOM 0 H2 MET A 1 1.769 -1.830 0.995 1.00 0.00 H new ATOM 0 H3 MET A 1 1.532 -0.174 1.287 1.00 0.00 H new ATOM 0 HA MET A 1 0.612 -0.537 -1.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.066 1.075 -1.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.940 1.361 -0.160 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.103 -0.107 0.006 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.252 0.196 -1.714 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.206 3.851 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.664 2.331 -2.838 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.475 3.437 -2.110 1.00 0.00 H new ATOM 18 N LYS A 2 2.134 -2.038 -2.740 1.00 0.00 N ATOM 19 CA LYS A 2 2.586 -3.259 -3.441 1.00 0.00 C ATOM 20 C LYS A 2 4.107 -3.245 -3.498 1.00 0.00 C ATOM 21 O LYS A 2 4.659 -2.314 -4.079 1.00 0.00 O ATOM 22 CB LYS A 2 1.946 -3.372 -4.847 1.00 0.00 C ATOM 23 CG LYS A 2 0.442 -3.044 -4.863 1.00 0.00 C ATOM 24 CD LYS A 2 -0.145 -3.139 -6.277 1.00 0.00 C ATOM 25 CE LYS A 2 -1.436 -2.323 -6.448 1.00 0.00 C ATOM 26 NZ LYS A 2 -2.604 -2.896 -5.715 1.00 0.00 N ATOM 0 H LYS A 2 1.738 -1.328 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 2 2.260 -4.144 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.464 -2.698 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.094 -4.384 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.087 -3.731 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.285 -2.039 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.596 -2.791 -6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.349 -4.184 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.262 -1.305 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.678 -2.259 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.440 -2.298 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.795 -3.857 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.391 -2.932 -4.698 1.00 0.00 H new ATOM 40 N LYS A 3 4.795 -4.233 -2.924 1.00 0.00 N ATOM 41 CA LYS A 3 6.254 -4.319 -3.049 1.00 0.00 C ATOM 42 C LYS A 3 6.573 -5.042 -4.341 1.00 0.00 C ATOM 43 O LYS A 3 5.955 -6.072 -4.624 1.00 0.00 O ATOM 44 CB LYS A 3 6.931 -4.958 -1.834 1.00 0.00 C ATOM 45 CG LYS A 3 6.522 -4.257 -0.538 1.00 0.00 C ATOM 46 CD LYS A 3 7.301 -4.790 0.661 1.00 0.00 C ATOM 47 CE LYS A 3 6.788 -4.061 1.906 1.00 0.00 C ATOM 48 NZ LYS A 3 7.498 -4.502 3.131 1.00 0.00 N ATOM 0 H LYS A 3 4.372 -4.979 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 3 6.666 -3.310 -3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.664 -6.013 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.014 -4.909 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.692 -3.185 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.454 -4.397 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.160 -5.866 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.370 -4.619 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.917 -2.986 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.719 -4.242 2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.867 -4.405 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.782 -5.497 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.344 -3.913 3.273 1.00 0.00 H new ATOM 62 N VAL A 4 7.530 -4.504 -5.085 1.00 0.00 N ATOM 63 CA VAL A 4 7.848 -4.879 -6.451 1.00 0.00 C ATOM 64 C VAL A 4 9.310 -5.329 -6.527 1.00 0.00 C ATOM 65 O VAL A 4 10.180 -4.768 -5.858 1.00 0.00 O ATOM 66 CB VAL A 4 7.606 -3.678 -7.396 1.00 0.00 C ATOM 67 CG1 VAL A 4 7.268 -4.121 -8.827 1.00 0.00 C ATOM 68 CG2 VAL A 4 6.504 -2.701 -6.961 1.00 0.00 C ATOM 0 H VAL A 4 8.132 -3.760 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 4 7.205 -5.702 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 4 8.561 -3.154 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.107 -3.242 -9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.094 -4.707 -9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.363 -4.729 -8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.419 -1.899 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.554 -3.231 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.756 -2.278 -5.988 1.00 0.00 H new ATOM 78 N MET A 5 9.581 -6.279 -7.412 1.00 0.00 N ATOM 79 CA MET A 5 10.916 -6.710 -7.816 1.00 0.00 C ATOM 80 C MET A 5 10.972 -6.840 -9.328 1.00 0.00 C ATOM 81 O MET A 5 10.005 -7.302 -9.929 1.00 0.00 O ATOM 82 CB MET A 5 11.269 -8.095 -7.270 1.00 0.00 C ATOM 83 CG MET A 5 11.456 -8.170 -5.768 1.00 0.00 C ATOM 84 SD MET A 5 12.665 -9.438 -5.322 1.00 0.00 S ATOM 85 CE MET A 5 12.810 -9.038 -3.574 1.00 0.00 C ATOM 0 H MET A 5 8.843 -6.795 -7.891 1.00 0.00 H new ATOM 0 HA MET A 5 11.610 -5.964 -7.428 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.482 -8.792 -7.557 1.00 0.00 H new ATOM 0 HB3 MET A 5 12.186 -8.434 -7.751 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.785 -7.202 -5.391 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.501 -8.390 -5.291 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.481 -9.750 -3.092 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.210 -8.030 -3.463 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.827 -9.092 -3.106 1.00 0.00 H new ATOM 95 N PHE A 6 12.128 -6.544 -9.917 1.00 0.00 N ATOM 96 CA PHE A 6 12.451 -6.810 -11.309 1.00 0.00 C ATOM 97 C PHE A 6 13.856 -7.386 -11.319 1.00 0.00 C ATOM 98 O PHE A 6 14.799 -6.689 -10.948 1.00 0.00 O ATOM 99 CB PHE A 6 12.411 -5.530 -12.152 1.00 0.00 C ATOM 100 CG PHE A 6 11.123 -4.749 -12.123 1.00 0.00 C ATOM 101 CD1 PHE A 6 10.836 -3.938 -11.015 1.00 0.00 C ATOM 102 CD2 PHE A 6 10.245 -4.793 -13.221 1.00 0.00 C ATOM 103 CE1 PHE A 6 9.648 -3.196 -10.985 1.00 0.00 C ATOM 104 CE2 PHE A 6 9.067 -4.028 -13.197 1.00 0.00 C ATOM 105 CZ PHE A 6 8.758 -3.249 -12.070 1.00 0.00 C ATOM 0 H PHE A 6 12.893 -6.094 -9.414 1.00 0.00 H new ATOM 0 HA PHE A 6 11.723 -7.497 -11.741 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.215 -4.875 -11.817 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.626 -5.796 -13.187 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.528 -3.886 -10.188 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.475 -5.411 -14.077 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.416 -2.583 -10.127 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.399 -4.039 -14.045 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.835 -2.690 -12.038 1.00 0.00 H new ATOM 115 N VAL A 7 14.009 -8.652 -11.694 1.00 0.00 N ATOM 116 CA VAL A 7 15.279 -9.338 -11.526 1.00 0.00 C ATOM 117 C VAL A 7 15.348 -10.504 -12.507 1.00 0.00 C ATOM 118 O VAL A 7 14.330 -11.092 -12.855 1.00 0.00 O ATOM 119 CB VAL A 7 15.420 -9.743 -10.029 1.00 0.00 C ATOM 120 CG1 VAL A 7 14.200 -10.505 -9.477 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.706 -10.530 -9.742 1.00 0.00 C ATOM 0 H VAL A 7 13.272 -9.219 -12.114 1.00 0.00 H new ATOM 0 HA VAL A 7 16.131 -8.700 -11.760 1.00 0.00 H new ATOM 0 HB VAL A 7 15.477 -8.792 -9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.370 -10.754 -8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.311 -9.879 -9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 7 14.054 -11.421 -10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.748 -10.784 -8.683 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.713 -11.444 -10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.571 -9.921 -10.004 1.00 0.00 H new ATOM 131 N CYS A 8 16.540 -10.809 -13.008 1.00 0.00 N ATOM 132 CA CYS A 8 16.851 -12.013 -13.768 1.00 0.00 C ATOM 133 C CYS A 8 18.356 -12.203 -13.636 1.00 0.00 C ATOM 134 O CYS A 8 19.066 -11.207 -13.633 1.00 0.00 O ATOM 135 CB CYS A 8 16.455 -11.855 -15.243 1.00 0.00 C ATOM 136 SG CYS A 8 17.010 -13.217 -16.309 1.00 0.00 S ATOM 0 H CYS A 8 17.349 -10.199 -12.891 1.00 0.00 H new ATOM 0 HA CYS A 8 16.298 -12.873 -13.391 1.00 0.00 H new ATOM 0 HB2 CYS A 8 15.370 -11.774 -15.310 1.00 0.00 H new ATOM 0 HB3 CYS A 8 16.869 -10.920 -15.621 1.00 0.00 H new ATOM 141 N LYS A 9 18.837 -13.449 -13.588 1.00 0.00 N ATOM 142 CA LYS A 9 20.252 -13.826 -13.493 1.00 0.00 C ATOM 143 C LYS A 9 20.966 -13.109 -12.337 1.00 0.00 C ATOM 144 O LYS A 9 21.035 -13.685 -11.254 1.00 0.00 O ATOM 145 CB LYS A 9 20.943 -13.759 -14.877 1.00 0.00 C ATOM 146 CG LYS A 9 21.820 -14.982 -15.186 1.00 0.00 C ATOM 147 CD LYS A 9 23.007 -15.168 -14.227 1.00 0.00 C ATOM 148 CE LYS A 9 23.810 -16.414 -14.638 1.00 0.00 C ATOM 149 NZ LYS A 9 24.901 -16.717 -13.676 1.00 0.00 N ATOM 0 H LYS A 9 18.221 -14.262 -13.616 1.00 0.00 H new ATOM 0 HA LYS A 9 20.325 -14.876 -13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 9 20.181 -13.664 -15.650 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.558 -12.860 -14.924 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.199 -15.877 -15.154 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.201 -14.894 -16.204 1.00 0.00 H new ATOM 0 HD2 LYS A 9 23.647 -14.286 -14.249 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.648 -15.275 -13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.140 -17.271 -14.707 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.234 -16.261 -15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.438 -17.543 -14.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.537 -15.897 -13.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.493 -16.923 -12.742 1.00 0.00 H new ATOM 163 N ARG A 10 21.477 -11.887 -12.532 1.00 0.00 N ATOM 164 CA ARG A 10 22.149 -11.113 -11.490 1.00 0.00 C ATOM 165 C ARG A 10 21.808 -9.628 -11.602 1.00 0.00 C ATOM 166 O ARG A 10 21.066 -9.204 -12.480 1.00 0.00 O ATOM 167 CB ARG A 10 23.663 -11.427 -11.521 1.00 0.00 C ATOM 168 CG ARG A 10 24.375 -11.132 -12.854 1.00 0.00 C ATOM 169 CD ARG A 10 25.902 -11.160 -12.694 1.00 0.00 C ATOM 170 NE ARG A 10 26.390 -12.450 -12.171 1.00 0.00 N ATOM 171 CZ ARG A 10 27.649 -12.736 -11.815 1.00 0.00 C ATOM 172 NH1 ARG A 10 28.615 -11.821 -11.879 1.00 0.00 N ATOM 173 NH2 ARG A 10 27.914 -13.964 -11.394 1.00 0.00 N ATOM 0 H ARG A 10 21.433 -11.405 -13.430 1.00 0.00 H new ATOM 0 HA ARG A 10 21.787 -11.406 -10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.151 -10.853 -10.734 1.00 0.00 H new ATOM 0 HB3 ARG A 10 23.803 -12.481 -11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 10 24.073 -11.867 -13.600 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.065 -10.155 -13.225 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.369 -10.962 -13.659 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.209 -10.359 -12.021 1.00 0.00 H new ATOM 0 HE ARG A 10 25.702 -13.196 -12.071 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.403 -10.878 -12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.566 -12.063 -11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 10 27.169 -14.659 -11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 10 28.863 -14.214 -11.116 1.00 0.00 H new ATOM 187 N ASN A 11 22.387 -8.818 -10.713 1.00 0.00 N ATOM 188 CA ASN A 11 22.172 -7.368 -10.649 1.00 0.00 C ATOM 189 C ASN A 11 22.530 -6.683 -11.975 1.00 0.00 C ATOM 190 O ASN A 11 21.901 -5.699 -12.357 1.00 0.00 O ATOM 191 CB ASN A 11 23.039 -6.795 -9.508 1.00 0.00 C ATOM 192 CG ASN A 11 22.601 -5.397 -9.077 1.00 0.00 C ATOM 193 OD1 ASN A 11 21.912 -5.238 -8.077 1.00 0.00 O ATOM 194 ND2 ASN A 11 22.982 -4.357 -9.803 1.00 0.00 N ATOM 0 H ASN A 11 23.033 -9.158 -10.001 1.00 0.00 H new ATOM 0 HA ASN A 11 21.116 -7.177 -10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 11 22.992 -7.466 -8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 11 24.080 -6.762 -9.830 1.00 0.00 H new ATOM 0 HD21 ASN A 11 22.702 -3.415 -9.531 1.00 0.00 H new ATOM 0 HD22 ASN A 11 23.556 -4.498 -10.634 1.00 0.00 H new ATOM 201 N SER A 12 23.559 -7.179 -12.668 1.00 0.00 N ATOM 202 CA SER A 12 24.093 -6.587 -13.894 1.00 0.00 C ATOM 203 C SER A 12 23.153 -6.747 -15.098 1.00 0.00 C ATOM 204 O SER A 12 23.247 -5.971 -16.047 1.00 0.00 O ATOM 205 CB SER A 12 25.453 -7.233 -14.215 1.00 0.00 C ATOM 206 OG SER A 12 26.031 -7.860 -13.073 1.00 0.00 O ATOM 0 H SER A 12 24.055 -8.024 -12.384 1.00 0.00 H new ATOM 0 HA SER A 12 24.201 -5.517 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.326 -7.970 -15.007 1.00 0.00 H new ATOM 0 HB3 SER A 12 26.135 -6.472 -14.594 1.00 0.00 H new ATOM 0 HG SER A 12 26.892 -8.259 -13.319 1.00 0.00 H new ATOM 212 N SER A 13 22.269 -7.749 -15.058 1.00 0.00 N ATOM 213 CA SER A 13 21.436 -8.211 -16.165 1.00 0.00 C ATOM 214 C SER A 13 20.333 -7.192 -16.523 1.00 0.00 C ATOM 215 O SER A 13 20.411 -6.019 -16.151 1.00 0.00 O ATOM 216 CB SER A 13 20.911 -9.597 -15.736 1.00 0.00 C ATOM 217 OG SER A 13 21.959 -10.361 -15.147 1.00 0.00 O ATOM 0 H SER A 13 22.109 -8.286 -14.206 1.00 0.00 H new ATOM 0 HA SER A 13 21.996 -8.301 -17.095 1.00 0.00 H new ATOM 0 HB2 SER A 13 20.093 -9.480 -15.025 1.00 0.00 H new ATOM 0 HB3 SER A 13 20.508 -10.125 -16.601 1.00 0.00 H new ATOM 0 HG SER A 13 22.312 -10.994 -15.806 1.00 0.00 H new ATOM 223 N ARG A 14 19.249 -7.607 -17.207 1.00 0.00 N ATOM 224 CA ARG A 14 18.099 -6.725 -17.513 1.00 0.00 C ATOM 225 C ARG A 14 17.557 -6.017 -16.262 1.00 0.00 C ATOM 226 O ARG A 14 17.029 -4.913 -16.379 1.00 0.00 O ATOM 227 CB ARG A 14 16.984 -7.520 -18.243 1.00 0.00 C ATOM 228 CG ARG A 14 17.318 -7.829 -19.720 1.00 0.00 C ATOM 229 CD ARG A 14 17.433 -9.324 -20.078 1.00 0.00 C ATOM 230 NE ARG A 14 16.116 -9.976 -20.292 1.00 0.00 N ATOM 231 CZ ARG A 14 15.814 -10.863 -21.258 1.00 0.00 C ATOM 232 NH1 ARG A 14 16.749 -11.342 -22.075 1.00 0.00 N ATOM 233 NH2 ARG A 14 14.561 -11.289 -21.388 1.00 0.00 N ATOM 0 H ARG A 14 19.143 -8.557 -17.562 1.00 0.00 H new ATOM 0 HA ARG A 14 18.457 -5.941 -18.180 1.00 0.00 H new ATOM 0 HB2 ARG A 14 16.810 -8.457 -17.714 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.055 -6.952 -18.199 1.00 0.00 H new ATOM 0 HG2 ARG A 14 16.549 -7.381 -20.349 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.259 -7.340 -19.971 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.035 -9.430 -20.981 1.00 0.00 H new ATOM 0 HD3 ARG A 14 17.963 -9.843 -19.279 1.00 0.00 H new ATOM 0 HE ARG A 14 15.368 -9.728 -19.644 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.717 -11.038 -21.976 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.497 -12.014 -22.800 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.837 -10.944 -20.758 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.324 -11.961 -22.118 1.00 0.00 H new ATOM 247 N SER A 15 17.754 -6.596 -15.073 1.00 0.00 N ATOM 248 CA SER A 15 17.512 -5.998 -13.754 1.00 0.00 C ATOM 249 C SER A 15 17.978 -4.531 -13.667 1.00 0.00 C ATOM 250 O SER A 15 17.370 -3.728 -12.960 1.00 0.00 O ATOM 251 CB SER A 15 18.256 -6.864 -12.724 1.00 0.00 C ATOM 252 OG SER A 15 18.180 -8.243 -13.092 1.00 0.00 O ATOM 0 H SER A 15 18.107 -7.550 -15.000 1.00 0.00 H new ATOM 0 HA SER A 15 16.440 -5.977 -13.560 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.299 -6.553 -12.662 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.822 -6.720 -11.735 1.00 0.00 H new ATOM 0 HG SER A 15 19.040 -8.677 -12.914 1.00 0.00 H new ATOM 258 N GLN A 16 19.008 -4.151 -14.434 1.00 0.00 N ATOM 259 CA GLN A 16 19.543 -2.802 -14.494 1.00 0.00 C ATOM 260 C GLN A 16 18.482 -1.745 -14.823 1.00 0.00 C ATOM 261 O GLN A 16 18.581 -0.659 -14.277 1.00 0.00 O ATOM 262 CB GLN A 16 20.716 -2.772 -15.503 1.00 0.00 C ATOM 263 CG GLN A 16 20.250 -2.847 -16.972 1.00 0.00 C ATOM 264 CD GLN A 16 21.369 -3.053 -17.991 1.00 0.00 C ATOM 265 OE1 GLN A 16 21.666 -2.156 -18.774 1.00 0.00 O ATOM 266 NE2 GLN A 16 21.967 -4.228 -18.028 1.00 0.00 N ATOM 0 H GLN A 16 19.501 -4.801 -15.046 1.00 0.00 H new ATOM 0 HA GLN A 16 19.907 -2.537 -13.501 1.00 0.00 H new ATOM 0 HB2 GLN A 16 21.291 -1.858 -15.356 1.00 0.00 H new ATOM 0 HB3 GLN A 16 21.386 -3.606 -15.297 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.534 -3.663 -17.070 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.720 -1.927 -17.217 1.00 0.00 H new ATOM 0 HE21 GLN A 16 21.701 -4.957 -17.366 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.695 -4.408 -18.719 1.00 0.00 H new ATOM 275 N MET A 17 17.481 -2.021 -15.674 1.00 0.00 N ATOM 276 CA MET A 17 16.592 -0.984 -16.206 1.00 0.00 C ATOM 277 C MET A 17 15.192 -0.972 -15.601 1.00 0.00 C ATOM 278 O MET A 17 14.737 0.074 -15.151 1.00 0.00 O ATOM 279 CB MET A 17 16.558 -1.091 -17.747 1.00 0.00 C ATOM 280 CG MET A 17 16.492 0.286 -18.419 1.00 0.00 C ATOM 281 SD MET A 17 15.137 1.375 -17.950 1.00 0.00 S ATOM 282 CE MET A 17 15.922 2.565 -16.812 1.00 0.00 C ATOM 0 H MET A 17 17.269 -2.961 -16.008 1.00 0.00 H new ATOM 0 HA MET A 17 17.009 -0.022 -15.909 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.446 -1.621 -18.093 1.00 0.00 H new ATOM 0 HB3 MET A 17 15.695 -1.684 -18.050 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.428 0.806 -18.214 1.00 0.00 H new ATOM 0 HG3 MET A 17 16.442 0.132 -19.497 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.151 3.118 -16.275 1.00 0.00 H new ATOM 0 HE2 MET A 17 16.547 2.028 -16.099 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.538 3.261 -17.382 1.00 0.00 H new ATOM 292 N ALA A 18 14.499 -2.111 -15.577 1.00 0.00 N ATOM 293 CA ALA A 18 13.066 -2.119 -15.244 1.00 0.00 C ATOM 294 C ALA A 18 12.749 -1.655 -13.821 1.00 0.00 C ATOM 295 O ALA A 18 11.765 -0.942 -13.629 1.00 0.00 O ATOM 296 CB ALA A 18 12.465 -3.488 -15.592 1.00 0.00 C ATOM 0 H ALA A 18 14.895 -3.029 -15.780 1.00 0.00 H new ATOM 0 HA ALA A 18 12.580 -1.364 -15.862 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.403 -3.493 -15.345 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.590 -3.680 -16.658 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.974 -4.265 -15.021 1.00 0.00 H new ATOM 302 N GLU A 19 13.604 -1.950 -12.838 1.00 0.00 N ATOM 303 CA GLU A 19 13.415 -1.389 -11.494 1.00 0.00 C ATOM 304 C GLU A 19 13.579 0.130 -11.531 1.00 0.00 C ATOM 305 O GLU A 19 12.843 0.838 -10.842 1.00 0.00 O ATOM 306 CB GLU A 19 14.341 -2.088 -10.486 1.00 0.00 C ATOM 307 CG GLU A 19 15.826 -1.709 -10.582 1.00 0.00 C ATOM 308 CD GLU A 19 16.198 -0.351 -9.959 1.00 0.00 C ATOM 309 OE1 GLU A 19 15.619 0.055 -8.930 1.00 0.00 O ATOM 310 OE2 GLU A 19 17.115 0.322 -10.478 1.00 0.00 O ATOM 0 H GLU A 19 14.416 -2.559 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 19 12.398 -1.580 -11.150 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.990 -1.862 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.249 -3.166 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.415 -2.487 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.115 -1.700 -11.633 1.00 0.00 H new ATOM 317 N GLY A 20 14.475 0.613 -12.399 1.00 0.00 N ATOM 318 CA GLY A 20 14.710 2.015 -12.685 1.00 0.00 C ATOM 319 C GLY A 20 13.402 2.716 -13.011 1.00 0.00 C ATOM 320 O GLY A 20 12.968 3.584 -12.260 1.00 0.00 O ATOM 0 H GLY A 20 15.081 -0.001 -12.943 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.182 2.493 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.400 2.111 -13.523 1.00 0.00 H new ATOM 324 N PHE A 21 12.716 2.324 -14.086 1.00 0.00 N ATOM 325 CA PHE A 21 11.454 2.986 -14.417 1.00 0.00 C ATOM 326 C PHE A 21 10.390 2.808 -13.365 1.00 0.00 C ATOM 327 O PHE A 21 9.585 3.719 -13.192 1.00 0.00 O ATOM 328 CB PHE A 21 10.877 2.525 -15.750 1.00 0.00 C ATOM 329 CG PHE A 21 11.381 3.382 -16.865 1.00 0.00 C ATOM 330 CD1 PHE A 21 11.075 4.756 -16.911 1.00 0.00 C ATOM 331 CD2 PHE A 21 12.244 2.805 -17.795 1.00 0.00 C ATOM 332 CE1 PHE A 21 11.613 5.531 -17.954 1.00 0.00 C ATOM 333 CE2 PHE A 21 12.837 3.592 -18.782 1.00 0.00 C ATOM 334 CZ PHE A 21 12.490 4.951 -18.893 1.00 0.00 C ATOM 0 H PHE A 21 12.999 1.579 -14.722 1.00 0.00 H new ATOM 0 HA PHE A 21 11.722 4.041 -14.477 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.150 1.485 -15.931 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.788 2.567 -15.715 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.441 5.205 -16.161 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.454 1.746 -17.751 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.353 6.576 -18.036 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.560 3.160 -19.458 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.895 5.549 -19.696 1.00 0.00 H new ATOM 344 N ALA A 22 10.339 1.678 -12.668 1.00 0.00 N ATOM 345 CA ALA A 22 9.232 1.448 -11.752 1.00 0.00 C ATOM 346 C ALA A 22 9.280 2.412 -10.567 1.00 0.00 C ATOM 347 O ALA A 22 8.224 2.827 -10.102 1.00 0.00 O ATOM 348 CB ALA A 22 9.224 -0.017 -11.339 1.00 0.00 C ATOM 0 H ALA A 22 11.029 0.929 -12.717 1.00 0.00 H new ATOM 0 HA ALA A 22 8.287 1.657 -12.253 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.397 -0.197 -10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.105 -0.644 -12.223 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.165 -0.261 -10.846 1.00 0.00 H new ATOM 354 N LYS A 23 10.466 2.857 -10.132 1.00 0.00 N ATOM 355 CA LYS A 23 10.542 3.877 -9.078 1.00 0.00 C ATOM 356 C LYS A 23 10.071 5.253 -9.580 1.00 0.00 C ATOM 357 O LYS A 23 9.689 6.089 -8.768 1.00 0.00 O ATOM 358 CB LYS A 23 11.944 3.888 -8.429 1.00 0.00 C ATOM 359 CG LYS A 23 13.038 4.642 -9.216 1.00 0.00 C ATOM 360 CD LYS A 23 14.284 3.811 -9.555 1.00 0.00 C ATOM 361 CE LYS A 23 15.081 3.344 -8.329 1.00 0.00 C ATOM 362 NZ LYS A 23 16.372 2.707 -8.704 1.00 0.00 N ATOM 0 H LYS A 23 11.368 2.536 -10.484 1.00 0.00 H new ATOM 0 HA LYS A 23 9.843 3.614 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.862 4.334 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.268 2.857 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.605 5.015 -10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.347 5.512 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.979 2.937 -10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.938 4.402 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.275 4.197 -7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.482 2.636 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.109 2.991 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.267 1.673 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.644 3.011 -9.660 1.00 0.00 H new ATOM 376 N THR A 24 10.073 5.486 -10.898 1.00 0.00 N ATOM 377 CA THR A 24 9.604 6.698 -11.540 1.00 0.00 C ATOM 378 C THR A 24 8.090 6.633 -11.777 1.00 0.00 C ATOM 379 O THR A 24 7.336 7.471 -11.285 1.00 0.00 O ATOM 380 CB THR A 24 10.480 6.918 -12.783 1.00 0.00 C ATOM 381 OG1 THR A 24 11.717 7.456 -12.357 1.00 0.00 O ATOM 382 CG2 THR A 24 9.871 7.840 -13.830 1.00 0.00 C ATOM 0 H THR A 24 10.419 4.798 -11.567 1.00 0.00 H new ATOM 0 HA THR A 24 9.716 7.583 -10.914 1.00 0.00 H new ATOM 0 HB THR A 24 10.590 5.948 -13.269 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.008 8.147 -12.988 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.557 7.938 -14.671 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.927 7.421 -14.178 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.693 8.822 -13.391 1.00 0.00 H new ATOM 390 N LEU A 25 7.633 5.613 -12.501 1.00 0.00 N ATOM 391 CA LEU A 25 6.246 5.485 -12.950 1.00 0.00 C ATOM 392 C LEU A 25 5.344 5.100 -11.780 1.00 0.00 C ATOM 393 O LEU A 25 4.205 5.552 -11.699 1.00 0.00 O ATOM 394 CB LEU A 25 6.164 4.409 -14.049 1.00 0.00 C ATOM 395 CG LEU A 25 6.953 4.726 -15.330 1.00 0.00 C ATOM 396 CD1 LEU A 25 7.011 3.466 -16.186 1.00 0.00 C ATOM 397 CD2 LEU A 25 6.338 5.881 -16.124 1.00 0.00 C ATOM 0 H LEU A 25 8.226 4.838 -12.798 1.00 0.00 H new ATOM 0 HA LEU A 25 5.909 6.442 -13.349 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.527 3.466 -13.641 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.117 4.260 -14.313 1.00 0.00 H new ATOM 0 HG LEU A 25 7.956 5.044 -15.047 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.568 3.672 -17.100 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.508 2.671 -15.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.999 3.152 -16.441 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.933 6.065 -17.019 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.319 5.622 -16.412 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.324 6.780 -15.507 1.00 0.00 H new ATOM 409 N GLY A 26 5.853 4.257 -10.876 1.00 0.00 N ATOM 410 CA GLY A 26 5.123 3.735 -9.730 1.00 0.00 C ATOM 411 C GLY A 26 5.326 4.569 -8.470 1.00 0.00 C ATOM 412 O GLY A 26 4.922 4.121 -7.399 1.00 0.00 O ATOM 0 H GLY A 26 6.812 3.913 -10.928 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.060 3.698 -9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.442 2.711 -9.538 1.00 0.00 H new ATOM 416 N ALA A 27 5.965 5.741 -8.574 1.00 0.00 N ATOM 417 CA ALA A 27 6.325 6.596 -7.448 1.00 0.00 C ATOM 418 C ALA A 27 5.105 6.849 -6.554 1.00 0.00 C ATOM 419 O ALA A 27 4.068 7.323 -7.027 1.00 0.00 O ATOM 420 CB ALA A 27 6.888 7.928 -7.968 1.00 0.00 C ATOM 0 H ALA A 27 6.252 6.127 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 27 7.088 6.093 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.156 8.564 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.774 7.737 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.134 8.429 -8.575 1.00 0.00 H new ATOM 426 N GLY A 28 5.226 6.518 -5.266 1.00 0.00 N ATOM 427 CA GLY A 28 4.173 6.688 -4.267 1.00 0.00 C ATOM 428 C GLY A 28 3.058 5.639 -4.342 1.00 0.00 C ATOM 429 O GLY A 28 2.249 5.566 -3.413 1.00 0.00 O ATOM 0 H GLY A 28 6.080 6.115 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.621 6.654 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.733 7.678 -4.385 1.00 0.00 H new ATOM 433 N LYS A 29 3.009 4.802 -5.388 1.00 0.00 N ATOM 434 CA LYS A 29 2.002 3.747 -5.540 1.00 0.00 C ATOM 435 C LYS A 29 2.553 2.413 -5.067 1.00 0.00 C ATOM 436 O LYS A 29 1.894 1.708 -4.308 1.00 0.00 O ATOM 437 CB LYS A 29 1.514 3.624 -7.001 1.00 0.00 C ATOM 438 CG LYS A 29 1.039 4.944 -7.622 1.00 0.00 C ATOM 439 CD LYS A 29 0.423 4.721 -9.016 1.00 0.00 C ATOM 440 CE LYS A 29 0.115 6.083 -9.652 1.00 0.00 C ATOM 441 NZ LYS A 29 -0.627 5.971 -10.938 1.00 0.00 N ATOM 0 H LYS A 29 3.675 4.840 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 29 1.148 4.025 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.324 3.221 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.697 2.903 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.303 5.411 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.879 5.634 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.112 4.159 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.489 4.129 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.470 6.680 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.050 6.617 -9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.806 6.922 -11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.061 5.426 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.533 5.487 -10.775 1.00 0.00 H new ATOM 455 N ILE A 30 3.747 2.047 -5.539 1.00 0.00 N ATOM 456 CA ILE A 30 4.325 0.717 -5.360 1.00 0.00 C ATOM 457 C ILE A 30 5.816 0.868 -5.010 1.00 0.00 C ATOM 458 O ILE A 30 6.462 1.827 -5.426 1.00 0.00 O ATOM 459 CB ILE A 30 3.999 -0.163 -6.595 1.00 0.00 C ATOM 460 CG1 ILE A 30 4.610 0.378 -7.907 1.00 0.00 C ATOM 461 CG2 ILE A 30 2.473 -0.298 -6.774 1.00 0.00 C ATOM 462 CD1 ILE A 30 4.371 -0.519 -9.132 1.00 0.00 C ATOM 0 H ILE A 30 4.349 2.680 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 30 3.884 0.181 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 30 4.449 -1.136 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.195 1.366 -8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.684 0.506 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.262 -0.919 -7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.042 -0.761 -5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.035 0.690 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.832 -0.066 -10.010 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.812 -1.500 -8.956 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.300 -0.627 -9.300 1.00 0.00 H new ATOM 474 N ALA A 31 6.344 -0.054 -4.200 1.00 0.00 N ATOM 475 CA ALA A 31 7.666 0.032 -3.583 1.00 0.00 C ATOM 476 C ALA A 31 8.618 -0.951 -4.249 1.00 0.00 C ATOM 477 O ALA A 31 8.544 -2.147 -3.993 1.00 0.00 O ATOM 478 CB ALA A 31 7.533 -0.276 -2.087 1.00 0.00 C ATOM 0 H ALA A 31 5.845 -0.907 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 31 8.071 1.036 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.513 -0.215 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.862 0.448 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.129 -1.280 -1.957 1.00 0.00 H new ATOM 484 N VAL A 32 9.496 -0.478 -5.121 1.00 0.00 N ATOM 485 CA VAL A 32 10.445 -1.332 -5.822 1.00 0.00 C ATOM 486 C VAL A 32 11.682 -1.517 -4.938 1.00 0.00 C ATOM 487 O VAL A 32 12.331 -0.535 -4.567 1.00 0.00 O ATOM 488 CB VAL A 32 10.807 -0.685 -7.169 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.515 -1.716 -8.049 1.00 0.00 C ATOM 490 CG2 VAL A 32 9.594 -0.126 -7.926 1.00 0.00 C ATOM 0 H VAL A 32 9.571 0.510 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 32 10.012 -2.312 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 32 11.458 0.161 -6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.774 -1.262 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.423 -2.057 -7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.853 -2.566 -8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.924 0.315 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.890 -0.932 -8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.106 0.637 -7.319 1.00 0.00 H new ATOM 500 N THR A 33 12.035 -2.773 -4.675 1.00 0.00 N ATOM 501 CA THR A 33 13.247 -3.174 -3.982 1.00 0.00 C ATOM 502 C THR A 33 13.548 -4.561 -4.540 1.00 0.00 C ATOM 503 O THR A 33 12.934 -5.531 -4.100 1.00 0.00 O ATOM 504 CB THR A 33 12.997 -3.236 -2.464 1.00 0.00 C ATOM 505 OG1 THR A 33 12.390 -2.054 -1.959 1.00 0.00 O ATOM 506 CG2 THR A 33 14.294 -3.500 -1.686 1.00 0.00 C ATOM 0 H THR A 33 11.458 -3.568 -4.952 1.00 0.00 H new ATOM 0 HA THR A 33 14.073 -2.478 -4.130 1.00 0.00 H new ATOM 0 HB THR A 33 12.308 -4.067 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.251 -2.144 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.077 -3.537 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.721 -4.452 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.006 -2.699 -1.884 1.00 0.00 H new ATOM 514 N SER A 34 14.442 -4.670 -5.525 1.00 0.00 N ATOM 515 CA SER A 34 14.604 -5.926 -6.261 1.00 0.00 C ATOM 516 C SER A 34 15.719 -6.844 -5.741 1.00 0.00 C ATOM 517 O SER A 34 15.934 -7.908 -6.326 1.00 0.00 O ATOM 518 CB SER A 34 14.748 -5.636 -7.756 1.00 0.00 C ATOM 519 OG SER A 34 13.656 -4.825 -8.176 1.00 0.00 O ATOM 0 H SER A 34 15.057 -3.915 -5.829 1.00 0.00 H new ATOM 0 HA SER A 34 13.695 -6.501 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.692 -5.128 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.764 -6.568 -8.321 1.00 0.00 H new ATOM 0 HG SER A 34 13.996 -3.978 -8.533 1.00 0.00 H new ATOM 525 N SER A 35 16.419 -6.444 -4.671 1.00 0.00 N ATOM 526 CA SER A 35 17.513 -7.219 -4.077 1.00 0.00 C ATOM 527 C SER A 35 18.560 -7.597 -5.147 1.00 0.00 C ATOM 528 O SER A 35 18.776 -6.841 -6.101 1.00 0.00 O ATOM 529 CB SER A 35 16.910 -8.433 -3.346 1.00 0.00 C ATOM 530 OG SER A 35 15.691 -8.125 -2.694 1.00 0.00 O ATOM 0 H SER A 35 16.238 -5.563 -4.189 1.00 0.00 H new ATOM 0 HA SER A 35 18.055 -6.624 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.742 -9.237 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.626 -8.804 -2.613 1.00 0.00 H new ATOM 0 HG SER A 35 15.793 -8.261 -1.729 1.00 0.00 H new ATOM 536 N GLY A 36 19.214 -8.757 -5.016 1.00 0.00 N ATOM 537 CA GLY A 36 20.063 -9.333 -6.044 1.00 0.00 C ATOM 538 C GLY A 36 20.326 -10.802 -5.730 1.00 0.00 C ATOM 539 O GLY A 36 20.035 -11.268 -4.625 1.00 0.00 O ATOM 0 H GLY A 36 19.161 -9.327 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.584 -9.240 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.006 -8.788 -6.098 1.00 0.00 H new ATOM 543 N LEU A 37 20.863 -11.532 -6.705 1.00 0.00 N ATOM 544 CA LEU A 37 21.391 -12.875 -6.615 1.00 0.00 C ATOM 545 C LEU A 37 22.719 -12.822 -7.340 1.00 0.00 C ATOM 546 O LEU A 37 22.794 -12.137 -8.364 1.00 0.00 O ATOM 547 CB LEU A 37 20.462 -13.850 -7.343 1.00 0.00 C ATOM 548 CG LEU A 37 19.224 -14.196 -6.511 1.00 0.00 C ATOM 549 CD1 LEU A 37 18.012 -14.296 -7.436 1.00 0.00 C ATOM 550 CD2 LEU A 37 19.448 -15.499 -5.734 1.00 0.00 C ATOM 0 H LEU A 37 20.942 -11.161 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 37 21.487 -13.207 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.150 -13.413 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 21.008 -14.764 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 37 19.040 -13.410 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.126 -14.542 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.860 -13.342 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.184 -15.075 -8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.559 -15.731 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.643 -16.311 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.302 -15.383 -5.067 1.00 0.00 H new ATOM 562 N GLU A 38 23.721 -13.559 -6.855 1.00 0.00 N ATOM 563 CA GLU A 38 25.122 -13.569 -7.311 1.00 0.00 C ATOM 564 C GLU A 38 25.804 -12.221 -7.045 1.00 0.00 C ATOM 565 O GLU A 38 26.757 -12.133 -6.267 1.00 0.00 O ATOM 566 CB GLU A 38 25.237 -13.953 -8.798 1.00 0.00 C ATOM 567 CG GLU A 38 24.409 -15.183 -9.177 1.00 0.00 C ATOM 568 CD GLU A 38 24.563 -15.606 -10.646 1.00 0.00 C ATOM 569 OE1 GLU A 38 25.338 -14.979 -11.410 1.00 0.00 O ATOM 570 OE2 GLU A 38 23.914 -16.595 -11.064 1.00 0.00 O ATOM 0 H GLU A 38 23.570 -14.208 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 38 25.640 -14.333 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.919 -13.108 -9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.284 -14.142 -9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.699 -16.016 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.358 -14.978 -8.976 1.00 0.00 H new ATOM 577 N SER A 39 25.226 -11.186 -7.649 1.00 0.00 N ATOM 578 CA SER A 39 25.465 -9.776 -7.478 1.00 0.00 C ATOM 579 C SER A 39 26.829 -9.270 -7.941 1.00 0.00 C ATOM 580 O SER A 39 27.824 -9.981 -8.097 1.00 0.00 O ATOM 581 CB SER A 39 25.048 -9.346 -6.074 1.00 0.00 C ATOM 582 OG SER A 39 23.657 -9.584 -5.900 1.00 0.00 O ATOM 0 H SER A 39 24.499 -11.346 -8.346 1.00 0.00 H new ATOM 0 HA SER A 39 24.819 -9.256 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 25.619 -9.899 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 39 25.269 -8.289 -5.925 1.00 0.00 H new ATOM 0 HG SER A 39 23.389 -9.310 -4.998 1.00 0.00 H new ATOM 588 N SER A 40 26.761 -7.994 -8.292 1.00 0.00 N ATOM 589 CA SER A 40 27.700 -7.120 -8.972 1.00 0.00 C ATOM 590 C SER A 40 26.958 -5.765 -8.975 1.00 0.00 C ATOM 591 O SER A 40 25.863 -5.661 -8.413 1.00 0.00 O ATOM 592 CB SER A 40 27.881 -7.664 -10.400 1.00 0.00 C ATOM 593 OG SER A 40 28.728 -8.803 -10.422 1.00 0.00 O ATOM 0 H SER A 40 25.913 -7.472 -8.070 1.00 0.00 H new ATOM 0 HA SER A 40 28.689 -7.043 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.908 -7.925 -10.816 1.00 0.00 H new ATOM 0 HB3 SER A 40 28.301 -6.885 -11.036 1.00 0.00 H new ATOM 0 HG SER A 40 28.578 -9.338 -9.614 1.00 0.00 H new ATOM 599 N ARG A 41 27.478 -4.737 -9.639 1.00 0.00 N ATOM 600 CA ARG A 41 26.730 -3.494 -9.872 1.00 0.00 C ATOM 601 C ARG A 41 26.292 -3.455 -11.329 1.00 0.00 C ATOM 602 O ARG A 41 26.691 -4.291 -12.142 1.00 0.00 O ATOM 603 CB ARG A 41 27.572 -2.271 -9.434 1.00 0.00 C ATOM 604 CG ARG A 41 26.776 -1.318 -8.527 1.00 0.00 C ATOM 605 CD ARG A 41 27.663 -0.181 -8.006 1.00 0.00 C ATOM 606 NE ARG A 41 26.888 0.755 -7.170 1.00 0.00 N ATOM 607 CZ ARG A 41 27.385 1.688 -6.346 1.00 0.00 C ATOM 608 NH1 ARG A 41 28.699 1.864 -6.229 1.00 0.00 N ATOM 609 NH2 ARG A 41 26.553 2.453 -5.644 1.00 0.00 N ATOM 0 H ARG A 41 28.420 -4.736 -10.030 1.00 0.00 H new ATOM 0 HA ARG A 41 25.827 -3.458 -9.263 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.462 -2.614 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 41 27.913 -1.731 -10.317 1.00 0.00 H new ATOM 0 HG2 ARG A 41 25.935 -0.902 -9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 41 26.361 -1.874 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 41 28.487 -0.595 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 41 28.103 0.356 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 41 25.872 0.685 -7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 41 29.341 1.285 -6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 41 29.064 2.578 -5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.545 2.327 -5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.923 3.165 -5.015 1.00 0.00 H new ATOM 623 N VAL A 42 25.414 -2.506 -11.641 1.00 0.00 N ATOM 624 CA VAL A 42 24.959 -2.272 -13.000 1.00 0.00 C ATOM 625 C VAL A 42 26.116 -1.682 -13.834 1.00 0.00 C ATOM 626 O VAL A 42 27.119 -1.222 -13.281 1.00 0.00 O ATOM 627 CB VAL A 42 23.704 -1.386 -12.958 1.00 0.00 C ATOM 628 CG1 VAL A 42 22.590 -1.895 -12.033 1.00 0.00 C ATOM 629 CG2 VAL A 42 24.031 0.054 -12.564 1.00 0.00 C ATOM 0 H VAL A 42 24.999 -1.878 -10.953 1.00 0.00 H new ATOM 0 HA VAL A 42 24.672 -3.201 -13.493 1.00 0.00 H new ATOM 0 HB VAL A 42 23.330 -1.428 -13.981 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.745 -1.207 -12.068 1.00 0.00 H new ATOM 0 HG12 VAL A 42 22.267 -2.883 -12.362 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.965 -1.957 -11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 42 23.114 0.644 -12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 42 24.488 0.066 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 42 24.724 0.481 -13.289 1.00 0.00 H new ATOM 639 N HIS A 43 25.971 -1.680 -15.162 1.00 0.00 N ATOM 640 CA HIS A 43 27.042 -1.249 -16.068 1.00 0.00 C ATOM 641 C HIS A 43 27.129 0.283 -16.149 1.00 0.00 C ATOM 642 O HIS A 43 26.105 0.954 -16.006 1.00 0.00 O ATOM 643 CB HIS A 43 26.853 -1.934 -17.435 1.00 0.00 C ATOM 644 CG HIS A 43 26.978 -3.437 -17.340 1.00 0.00 C ATOM 645 ND1 HIS A 43 28.078 -4.138 -16.890 1.00 0.00 N ATOM 646 CD2 HIS A 43 26.010 -4.358 -17.641 1.00 0.00 C ATOM 647 CE1 HIS A 43 27.775 -5.447 -16.918 1.00 0.00 C ATOM 648 NE2 HIS A 43 26.518 -5.636 -17.359 1.00 0.00 N ATOM 0 H HIS A 43 25.117 -1.974 -15.637 1.00 0.00 H new ATOM 0 HA HIS A 43 28.009 -1.563 -15.676 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.873 -1.677 -17.836 1.00 0.00 H new ATOM 0 HB3 HIS A 43 27.595 -1.553 -18.137 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.026 -4.139 -18.028 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.449 -6.239 -16.626 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.033 -6.527 -17.467 1.00 0.00 H new ATOM 656 N PRO A 44 28.311 0.867 -16.421 1.00 0.00 N ATOM 657 CA PRO A 44 28.511 2.319 -16.404 1.00 0.00 C ATOM 658 C PRO A 44 27.645 3.023 -17.449 1.00 0.00 C ATOM 659 O PRO A 44 26.950 3.994 -17.138 1.00 0.00 O ATOM 660 CB PRO A 44 30.009 2.526 -16.675 1.00 0.00 C ATOM 661 CG PRO A 44 30.423 1.248 -17.410 1.00 0.00 C ATOM 662 CD PRO A 44 29.575 0.199 -16.702 1.00 0.00 C ATOM 0 HA PRO A 44 28.213 2.752 -15.449 1.00 0.00 H new ATOM 0 HB2 PRO A 44 30.187 3.413 -17.282 1.00 0.00 H new ATOM 0 HB3 PRO A 44 30.570 2.655 -15.749 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.205 1.300 -18.477 1.00 0.00 H new ATOM 0 HG3 PRO A 44 31.490 1.047 -17.313 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.427 -0.679 -17.330 1.00 0.00 H new ATOM 0 HD3 PRO A 44 30.054 -0.143 -15.784 1.00 0.00 H new ATOM 670 N THR A 45 27.619 2.500 -18.677 1.00 0.00 N ATOM 671 CA THR A 45 26.836 3.075 -19.761 1.00 0.00 C ATOM 672 C THR A 45 25.341 2.932 -19.461 1.00 0.00 C ATOM 673 O THR A 45 24.566 3.808 -19.839 1.00 0.00 O ATOM 674 CB THR A 45 27.264 2.438 -21.089 1.00 0.00 C ATOM 675 OG1 THR A 45 28.681 2.326 -21.137 1.00 0.00 O ATOM 676 CG2 THR A 45 26.772 3.235 -22.302 1.00 0.00 C ATOM 0 H THR A 45 28.142 1.666 -18.943 1.00 0.00 H new ATOM 0 HA THR A 45 27.024 4.145 -19.850 1.00 0.00 H new ATOM 0 HB THR A 45 26.807 1.450 -21.136 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.948 1.917 -21.987 1.00 0.00 H new ATOM 0 HG21 THR A 45 27.101 2.744 -23.218 1.00 0.00 H new ATOM 0 HG22 THR A 45 25.683 3.285 -22.287 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.182 4.244 -22.265 1.00 0.00 H new ATOM 684 N ALA A 46 24.930 1.906 -18.696 1.00 0.00 N ATOM 685 CA ALA A 46 23.546 1.799 -18.251 1.00 0.00 C ATOM 686 C ALA A 46 23.184 3.045 -17.477 1.00 0.00 C ATOM 687 O ALA A 46 22.245 3.739 -17.843 1.00 0.00 O ATOM 688 CB ALA A 46 23.305 0.543 -17.386 1.00 0.00 C ATOM 0 H ALA A 46 25.537 1.150 -18.380 1.00 0.00 H new ATOM 0 HA ALA A 46 22.911 1.702 -19.131 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.260 0.508 -17.079 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.543 -0.349 -17.965 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.942 0.582 -16.502 1.00 0.00 H new ATOM 694 N ILE A 47 23.971 3.363 -16.454 1.00 0.00 N ATOM 695 CA ILE A 47 23.669 4.475 -15.567 1.00 0.00 C ATOM 696 C ILE A 47 23.612 5.751 -16.391 1.00 0.00 C ATOM 697 O ILE A 47 22.699 6.537 -16.185 1.00 0.00 O ATOM 698 CB ILE A 47 24.744 4.580 -14.454 1.00 0.00 C ATOM 699 CG1 ILE A 47 24.796 3.300 -13.600 1.00 0.00 C ATOM 700 CG2 ILE A 47 24.498 5.807 -13.558 1.00 0.00 C ATOM 701 CD1 ILE A 47 26.086 3.147 -12.782 1.00 0.00 C ATOM 0 H ILE A 47 24.828 2.861 -16.220 1.00 0.00 H new ATOM 0 HA ILE A 47 22.706 4.316 -15.082 1.00 0.00 H new ATOM 0 HB ILE A 47 25.708 4.700 -14.948 1.00 0.00 H new ATOM 0 HG12 ILE A 47 23.944 3.294 -12.920 1.00 0.00 H new ATOM 0 HG13 ILE A 47 24.688 2.435 -14.254 1.00 0.00 H new ATOM 0 HG21 ILE A 47 25.267 5.855 -12.787 1.00 0.00 H new ATOM 0 HG22 ILE A 47 24.534 6.713 -14.163 1.00 0.00 H new ATOM 0 HG23 ILE A 47 23.518 5.724 -13.088 1.00 0.00 H new ATOM 0 HD11 ILE A 47 26.045 2.221 -12.208 1.00 0.00 H new ATOM 0 HD12 ILE A 47 26.943 3.119 -13.455 1.00 0.00 H new ATOM 0 HD13 ILE A 47 26.187 3.992 -12.101 1.00 0.00 H new ATOM 713 N ALA A 48 24.506 5.933 -17.364 1.00 0.00 N ATOM 714 CA ALA A 48 24.505 7.128 -18.192 1.00 0.00 C ATOM 715 C ALA A 48 23.199 7.265 -18.986 1.00 0.00 C ATOM 716 O ALA A 48 22.625 8.346 -19.041 1.00 0.00 O ATOM 717 CB ALA A 48 25.717 7.114 -19.131 1.00 0.00 C ATOM 0 H ALA A 48 25.240 5.263 -17.594 1.00 0.00 H new ATOM 0 HA ALA A 48 24.575 7.996 -17.536 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.709 8.012 -19.748 1.00 0.00 H new ATOM 0 HB2 ALA A 48 26.634 7.086 -18.542 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.671 6.233 -19.772 1.00 0.00 H new ATOM 723 N MET A 49 22.698 6.178 -19.575 1.00 0.00 N ATOM 724 CA MET A 49 21.490 6.213 -20.403 1.00 0.00 C ATOM 725 C MET A 49 20.242 6.329 -19.525 1.00 0.00 C ATOM 726 O MET A 49 19.284 7.052 -19.816 1.00 0.00 O ATOM 727 CB MET A 49 21.474 4.960 -21.287 1.00 0.00 C ATOM 728 CG MET A 49 22.695 4.922 -22.224 1.00 0.00 C ATOM 729 SD MET A 49 22.744 6.180 -23.526 1.00 0.00 S ATOM 730 CE MET A 49 24.093 7.191 -22.860 1.00 0.00 C ATOM 0 H MET A 49 23.116 5.251 -19.492 1.00 0.00 H new ATOM 0 HA MET A 49 21.492 7.091 -21.049 1.00 0.00 H new ATOM 0 HB2 MET A 49 21.467 4.069 -20.659 1.00 0.00 H new ATOM 0 HB3 MET A 49 20.558 4.941 -21.878 1.00 0.00 H new ATOM 0 HG2 MET A 49 23.595 5.021 -21.618 1.00 0.00 H new ATOM 0 HG3 MET A 49 22.735 3.940 -22.695 1.00 0.00 H new ATOM 0 HE1 MET A 49 24.281 8.032 -23.527 1.00 0.00 H new ATOM 0 HE2 MET A 49 23.815 7.565 -21.875 1.00 0.00 H new ATOM 0 HE3 MET A 49 24.995 6.585 -22.777 1.00 0.00 H new ATOM 740 N MET A 50 20.269 5.673 -18.377 1.00 0.00 N ATOM 741 CA MET A 50 19.159 5.733 -17.452 1.00 0.00 C ATOM 742 C MET A 50 19.152 7.137 -16.829 1.00 0.00 C ATOM 743 O MET A 50 18.086 7.692 -16.585 1.00 0.00 O ATOM 744 CB MET A 50 19.217 4.567 -16.455 1.00 0.00 C ATOM 745 CG MET A 50 19.365 3.141 -17.060 1.00 0.00 C ATOM 746 SD MET A 50 19.015 2.834 -18.833 1.00 0.00 S ATOM 747 CE MET A 50 19.716 1.159 -19.116 1.00 0.00 C ATOM 0 H MET A 50 21.049 5.094 -18.067 1.00 0.00 H new ATOM 0 HA MET A 50 18.199 5.597 -17.950 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.054 4.739 -15.778 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.309 4.589 -15.852 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.390 2.819 -16.875 1.00 0.00 H new ATOM 0 HG3 MET A 50 18.715 2.480 -16.486 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.058 0.596 -19.778 1.00 0.00 H new ATOM 0 HE2 MET A 50 20.701 1.249 -19.574 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.805 0.636 -18.164 1.00 0.00 H new ATOM 757 N GLU A 51 20.310 7.790 -16.710 1.00 0.00 N ATOM 758 CA GLU A 51 20.445 9.182 -16.341 1.00 0.00 C ATOM 759 C GLU A 51 20.030 10.092 -17.507 1.00 0.00 C ATOM 760 O GLU A 51 19.665 11.240 -17.259 1.00 0.00 O ATOM 761 CB GLU A 51 21.862 9.462 -15.812 1.00 0.00 C ATOM 762 CG GLU A 51 22.045 10.890 -15.284 1.00 0.00 C ATOM 763 CD GLU A 51 23.412 11.060 -14.599 1.00 0.00 C ATOM 764 OE1 GLU A 51 24.428 11.263 -15.307 1.00 0.00 O ATOM 765 OE2 GLU A 51 23.477 11.019 -13.347 1.00 0.00 O ATOM 0 H GLU A 51 21.209 7.337 -16.877 1.00 0.00 H new ATOM 0 HA GLU A 51 19.763 9.412 -15.522 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.090 8.756 -15.014 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.582 9.283 -16.611 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.957 11.599 -16.107 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.249 11.124 -14.576 1.00 0.00 H new ATOM 772 N GLU A 52 19.986 9.609 -18.759 1.00 0.00 N ATOM 773 CA GLU A 52 19.370 10.390 -19.836 1.00 0.00 C ATOM 774 C GLU A 52 17.878 10.558 -19.529 1.00 0.00 C ATOM 775 O GLU A 52 17.324 11.626 -19.795 1.00 0.00 O ATOM 776 CB GLU A 52 19.528 9.828 -21.261 1.00 0.00 C ATOM 777 CG GLU A 52 20.961 9.813 -21.790 1.00 0.00 C ATOM 778 CD GLU A 52 21.038 9.384 -23.266 1.00 0.00 C ATOM 779 OE1 GLU A 52 20.269 8.495 -23.713 1.00 0.00 O ATOM 780 OE2 GLU A 52 21.880 9.955 -23.995 1.00 0.00 O ATOM 0 H GLU A 52 20.360 8.704 -19.043 1.00 0.00 H new ATOM 0 HA GLU A 52 19.911 11.336 -19.848 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.138 8.810 -21.280 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.912 10.418 -21.939 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.396 10.806 -21.680 1.00 0.00 H new ATOM 0 HG3 GLU A 52 21.561 9.133 -21.185 1.00 0.00 H new ATOM 787 N VAL A 53 17.246 9.542 -18.917 1.00 0.00 N ATOM 788 CA VAL A 53 15.880 9.701 -18.382 1.00 0.00 C ATOM 789 C VAL A 53 15.874 10.190 -16.912 1.00 0.00 C ATOM 790 O VAL A 53 14.827 10.245 -16.263 1.00 0.00 O ATOM 791 CB VAL A 53 14.990 8.485 -18.732 1.00 0.00 C ATOM 792 CG1 VAL A 53 15.359 7.220 -17.948 1.00 0.00 C ATOM 793 CG2 VAL A 53 13.487 8.768 -18.614 1.00 0.00 C ATOM 0 H VAL A 53 17.650 8.615 -18.781 1.00 0.00 H new ATOM 0 HA VAL A 53 15.386 10.526 -18.896 1.00 0.00 H new ATOM 0 HB VAL A 53 15.202 8.297 -19.785 1.00 0.00 H new ATOM 0 HG11 VAL A 53 14.697 6.405 -18.240 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.391 6.945 -18.165 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.251 7.409 -16.880 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.926 7.870 -18.874 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.251 9.059 -17.591 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.214 9.576 -19.293 1.00 0.00 H new ATOM 803 N GLY A 54 17.030 10.601 -16.381 1.00 0.00 N ATOM 804 CA GLY A 54 17.172 11.168 -15.042 1.00 0.00 C ATOM 805 C GLY A 54 17.010 10.141 -13.916 1.00 0.00 C ATOM 806 O GLY A 54 16.803 10.537 -12.766 1.00 0.00 O ATOM 0 H GLY A 54 17.914 10.546 -16.886 1.00 0.00 H new ATOM 0 HA2 GLY A 54 18.153 11.635 -14.957 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.431 11.957 -14.911 1.00 0.00 H new ATOM 810 N ILE A 55 17.084 8.842 -14.224 1.00 0.00 N ATOM 811 CA ILE A 55 16.854 7.760 -13.270 1.00 0.00 C ATOM 812 C ILE A 55 18.184 7.261 -12.695 1.00 0.00 C ATOM 813 O ILE A 55 19.178 7.135 -13.412 1.00 0.00 O ATOM 814 CB ILE A 55 15.992 6.661 -13.924 1.00 0.00 C ATOM 815 CG1 ILE A 55 14.565 7.203 -14.144 1.00 0.00 C ATOM 816 CG2 ILE A 55 15.950 5.349 -13.120 1.00 0.00 C ATOM 817 CD1 ILE A 55 13.567 6.152 -14.635 1.00 0.00 C ATOM 0 H ILE A 55 17.310 8.510 -15.162 1.00 0.00 H new ATOM 0 HA ILE A 55 16.285 8.123 -12.414 1.00 0.00 H new ATOM 0 HB ILE A 55 16.459 6.410 -14.877 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.200 7.626 -13.208 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.605 8.017 -14.868 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.325 4.623 -13.641 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.960 4.952 -13.018 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.535 5.542 -12.131 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.588 6.613 -14.765 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.906 5.745 -15.588 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.495 5.348 -13.902 1.00 0.00 H new ATOM 829 N ASP A 56 18.177 6.921 -11.403 1.00 0.00 N ATOM 830 CA ASP A 56 19.271 6.225 -10.732 1.00 0.00 C ATOM 831 C ASP A 56 19.002 4.724 -10.813 1.00 0.00 C ATOM 832 O ASP A 56 17.902 4.274 -10.472 1.00 0.00 O ATOM 833 CB ASP A 56 19.387 6.672 -9.270 1.00 0.00 C ATOM 834 CG ASP A 56 20.544 5.954 -8.549 1.00 0.00 C ATOM 835 OD1 ASP A 56 20.411 4.750 -8.231 1.00 0.00 O ATOM 836 OD2 ASP A 56 21.584 6.605 -8.294 1.00 0.00 O ATOM 0 H ASP A 56 17.393 7.128 -10.784 1.00 0.00 H new ATOM 0 HA ASP A 56 20.215 6.463 -11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 56 19.545 7.750 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 56 18.451 6.467 -8.751 1.00 0.00 H new ATOM 841 N ILE A 57 19.993 3.952 -11.254 1.00 0.00 N ATOM 842 CA ILE A 57 19.995 2.481 -11.196 1.00 0.00 C ATOM 843 C ILE A 57 21.248 1.982 -10.463 1.00 0.00 C ATOM 844 O ILE A 57 21.228 0.923 -9.848 1.00 0.00 O ATOM 845 CB ILE A 57 19.817 1.874 -12.607 1.00 0.00 C ATOM 846 CG1 ILE A 57 20.920 2.307 -13.595 1.00 0.00 C ATOM 847 CG2 ILE A 57 18.443 2.252 -13.191 1.00 0.00 C ATOM 848 CD1 ILE A 57 21.133 1.290 -14.713 1.00 0.00 C ATOM 0 H ILE A 57 20.840 4.336 -11.673 1.00 0.00 H new ATOM 0 HA ILE A 57 19.139 2.137 -10.616 1.00 0.00 H new ATOM 0 HB ILE A 57 19.890 0.794 -12.481 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.656 3.271 -14.030 1.00 0.00 H new ATOM 0 HG13 ILE A 57 21.855 2.447 -13.053 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.337 1.815 -14.184 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.655 1.872 -12.542 1.00 0.00 H new ATOM 0 HG23 ILE A 57 18.363 3.337 -13.261 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.919 1.642 -15.381 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.425 0.332 -14.283 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.207 1.168 -15.275 1.00 0.00 H new ATOM 860 N SER A 58 22.326 2.764 -10.504 1.00 0.00 N ATOM 861 CA SER A 58 23.571 2.677 -9.748 1.00 0.00 C ATOM 862 C SER A 58 23.385 2.220 -8.291 1.00 0.00 C ATOM 863 O SER A 58 24.161 1.405 -7.793 1.00 0.00 O ATOM 864 CB SER A 58 24.203 4.092 -9.785 1.00 0.00 C ATOM 865 OG SER A 58 23.572 4.950 -10.734 1.00 0.00 O ATOM 0 H SER A 58 22.348 3.562 -11.139 1.00 0.00 H new ATOM 0 HA SER A 58 24.207 1.918 -10.203 1.00 0.00 H new ATOM 0 HB2 SER A 58 24.137 4.541 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 58 25.263 4.006 -10.026 1.00 0.00 H new ATOM 0 HG SER A 58 24.004 5.829 -10.718 1.00 0.00 H new ATOM 871 N GLY A 59 22.350 2.710 -7.612 1.00 0.00 N ATOM 872 CA GLY A 59 22.048 2.431 -6.212 1.00 0.00 C ATOM 873 C GLY A 59 21.283 1.123 -5.973 1.00 0.00 C ATOM 874 O GLY A 59 20.750 0.944 -4.876 1.00 0.00 O ATOM 0 H GLY A 59 21.671 3.339 -8.041 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.982 2.398 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.463 3.258 -5.808 1.00 0.00 H new ATOM 878 N GLN A 60 21.180 0.224 -6.965 1.00 0.00 N ATOM 879 CA GLN A 60 20.395 -1.007 -6.839 1.00 0.00 C ATOM 880 C GLN A 60 20.894 -1.923 -5.720 1.00 0.00 C ATOM 881 O GLN A 60 20.101 -2.638 -5.104 1.00 0.00 O ATOM 882 CB GLN A 60 20.427 -1.799 -8.160 1.00 0.00 C ATOM 883 CG GLN A 60 19.031 -1.961 -8.740 1.00 0.00 C ATOM 884 CD GLN A 60 19.107 -2.580 -10.131 1.00 0.00 C ATOM 885 OE1 GLN A 60 18.958 -1.756 -11.150 1.00 0.00 O flip ATOM 886 NE2 GLN A 60 19.310 -3.779 -10.303 1.00 0.00 N flip ATOM 0 H GLN A 60 21.637 0.332 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 60 19.380 -0.693 -6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.065 -1.285 -8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.868 -2.781 -7.987 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.429 -2.591 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.536 -0.991 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.422 -4.398 -9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.366 -4.156 -11.249 1.00 0.00 H new ATOM 895 N THR A 61 22.207 -1.949 -5.509 1.00 0.00 N ATOM 896 CA THR A 61 22.858 -2.899 -4.629 1.00 0.00 C ATOM 897 C THR A 61 22.500 -2.565 -3.175 1.00 0.00 C ATOM 898 O THR A 61 22.557 -1.397 -2.775 1.00 0.00 O ATOM 899 CB THR A 61 24.376 -2.899 -4.910 1.00 0.00 C ATOM 900 OG1 THR A 61 24.827 -1.631 -5.381 1.00 0.00 O ATOM 901 CG2 THR A 61 24.697 -3.915 -6.006 1.00 0.00 C ATOM 0 H THR A 61 22.854 -1.298 -5.954 1.00 0.00 H new ATOM 0 HA THR A 61 22.508 -3.915 -4.813 1.00 0.00 H new ATOM 0 HB THR A 61 24.872 -3.143 -3.971 1.00 0.00 H new ATOM 0 HG1 THR A 61 25.792 -1.668 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.769 -3.912 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.390 -4.909 -5.682 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.161 -3.649 -6.917 1.00 0.00 H new ATOM 909 N SER A 62 22.092 -3.567 -2.389 1.00 0.00 N ATOM 910 CA SER A 62 21.710 -3.389 -0.987 1.00 0.00 C ATOM 911 C SER A 62 21.814 -4.718 -0.227 1.00 0.00 C ATOM 912 O SER A 62 22.617 -4.822 0.702 1.00 0.00 O ATOM 913 CB SER A 62 20.283 -2.814 -0.905 1.00 0.00 C ATOM 914 OG SER A 62 20.254 -1.439 -1.256 1.00 0.00 O ATOM 0 H SER A 62 22.018 -4.532 -2.712 1.00 0.00 H new ATOM 0 HA SER A 62 22.396 -2.684 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.625 -3.374 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.896 -2.940 0.106 1.00 0.00 H new ATOM 0 HG SER A 62 21.090 -1.199 -1.708 1.00 0.00 H new ATOM 920 N ASP A 63 21.048 -5.741 -0.629 1.00 0.00 N ATOM 921 CA ASP A 63 20.978 -7.025 0.078 1.00 0.00 C ATOM 922 C ASP A 63 20.658 -8.146 -0.913 1.00 0.00 C ATOM 923 O ASP A 63 20.013 -7.885 -1.935 1.00 0.00 O ATOM 924 CB ASP A 63 19.891 -7.000 1.167 1.00 0.00 C ATOM 925 CG ASP A 63 20.425 -6.486 2.513 1.00 0.00 C ATOM 926 OD1 ASP A 63 21.219 -7.203 3.166 1.00 0.00 O ATOM 927 OD2 ASP A 63 20.030 -5.371 2.935 1.00 0.00 O ATOM 0 H ASP A 63 20.456 -5.700 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 63 21.945 -7.202 0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.067 -6.366 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.488 -8.004 1.298 1.00 0.00 H new ATOM 932 N PRO A 64 21.068 -9.396 -0.627 1.00 0.00 N ATOM 933 CA PRO A 64 20.661 -10.551 -1.411 1.00 0.00 C ATOM 934 C PRO A 64 19.156 -10.797 -1.241 1.00 0.00 C ATOM 935 O PRO A 64 18.578 -10.462 -0.206 1.00 0.00 O ATOM 936 CB PRO A 64 21.502 -11.714 -0.875 1.00 0.00 C ATOM 937 CG PRO A 64 21.715 -11.344 0.595 1.00 0.00 C ATOM 938 CD PRO A 64 21.844 -9.822 0.534 1.00 0.00 C ATOM 0 HA PRO A 64 20.824 -10.417 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 64 20.984 -12.667 -0.979 1.00 0.00 H new ATOM 0 HB3 PRO A 64 22.448 -11.806 -1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 64 20.877 -11.656 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 64 22.610 -11.812 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 64 21.465 -9.362 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 64 22.888 -9.523 0.436 1.00 0.00 H new ATOM 946 N ILE A 65 18.525 -11.453 -2.218 1.00 0.00 N ATOM 947 CA ILE A 65 17.089 -11.743 -2.196 1.00 0.00 C ATOM 948 C ILE A 65 16.710 -12.600 -0.976 1.00 0.00 C ATOM 949 O ILE A 65 15.584 -12.550 -0.484 1.00 0.00 O ATOM 950 CB ILE A 65 16.699 -12.397 -3.542 1.00 0.00 C ATOM 951 CG1 ILE A 65 15.228 -12.108 -3.881 1.00 0.00 C ATOM 952 CG2 ILE A 65 17.033 -13.900 -3.591 1.00 0.00 C ATOM 953 CD1 ILE A 65 14.792 -12.617 -5.262 1.00 0.00 C ATOM 0 H ILE A 65 18.999 -11.800 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 65 16.520 -10.819 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 65 17.312 -11.939 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 65 14.594 -12.565 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 65 15.060 -11.032 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.738 -14.307 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 65 18.105 -14.039 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.493 -14.419 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.742 -12.374 -5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.398 -12.141 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.926 -13.698 -5.310 1.00 0.00 H new ATOM 965 N GLU A 66 17.675 -13.372 -0.469 1.00 0.00 N ATOM 966 CA GLU A 66 17.493 -14.330 0.617 1.00 0.00 C ATOM 967 C GLU A 66 17.192 -13.604 1.933 1.00 0.00 C ATOM 968 O GLU A 66 16.594 -14.164 2.854 1.00 0.00 O ATOM 969 CB GLU A 66 18.777 -15.158 0.811 1.00 0.00 C ATOM 970 CG GLU A 66 19.430 -15.592 -0.504 1.00 0.00 C ATOM 971 CD GLU A 66 20.612 -16.547 -0.257 1.00 0.00 C ATOM 972 OE1 GLU A 66 20.404 -17.784 -0.213 1.00 0.00 O ATOM 973 OE2 GLU A 66 21.763 -16.068 -0.115 1.00 0.00 O ATOM 0 H GLU A 66 18.634 -13.344 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 66 16.658 -14.979 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 66 19.494 -14.572 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.542 -16.044 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.689 -16.083 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.778 -14.713 -1.046 1.00 0.00 H new ATOM 980 N ASN A 67 17.649 -12.350 2.012 1.00 0.00 N ATOM 981 CA ASN A 67 17.436 -11.458 3.148 1.00 0.00 C ATOM 982 C ASN A 67 15.947 -11.128 3.352 1.00 0.00 C ATOM 983 O ASN A 67 15.540 -10.763 4.458 1.00 0.00 O ATOM 984 CB ASN A 67 18.225 -10.159 2.923 1.00 0.00 C ATOM 985 CG ASN A 67 18.413 -9.394 4.226 1.00 0.00 C ATOM 986 OD1 ASN A 67 17.671 -8.466 4.544 1.00 0.00 O ATOM 987 ND2 ASN A 67 19.414 -9.774 5.009 1.00 0.00 N ATOM 0 H ASN A 67 18.192 -11.919 1.264 1.00 0.00 H new ATOM 0 HA ASN A 67 17.786 -11.967 4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 67 19.199 -10.392 2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.700 -9.532 2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.580 -9.294 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 67 20.018 -10.546 4.727 1.00 0.00 H new ATOM 994 N PHE A 68 15.138 -11.260 2.296 1.00 0.00 N ATOM 995 CA PHE A 68 13.720 -10.923 2.244 1.00 0.00 C ATOM 996 C PHE A 68 12.881 -12.199 2.258 1.00 0.00 C ATOM 997 O PHE A 68 13.404 -13.308 2.398 1.00 0.00 O ATOM 998 CB PHE A 68 13.442 -10.108 0.967 1.00 0.00 C ATOM 999 CG PHE A 68 14.278 -8.856 0.868 1.00 0.00 C ATOM 1000 CD1 PHE A 68 15.573 -8.932 0.335 1.00 0.00 C ATOM 1001 CD2 PHE A 68 13.785 -7.641 1.367 1.00 0.00 C ATOM 1002 CE1 PHE A 68 16.389 -7.789 0.301 1.00 0.00 C ATOM 1003 CE2 PHE A 68 14.595 -6.490 1.324 1.00 0.00 C ATOM 1004 CZ PHE A 68 15.898 -6.565 0.794 1.00 0.00 C ATOM 0 H PHE A 68 15.479 -11.626 1.407 1.00 0.00 H new ATOM 0 HA PHE A 68 13.451 -10.326 3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.632 -10.734 0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.387 -9.836 0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 68 15.943 -9.871 -0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.789 -7.589 1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 68 17.389 -7.849 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.217 -5.550 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 68 16.521 -5.683 0.766 1.00 0.00 H new ATOM 1014 N ASN A 69 11.564 -12.041 2.091 1.00 0.00 N ATOM 1015 CA ASN A 69 10.654 -13.140 1.857 1.00 0.00 C ATOM 1016 C ASN A 69 9.682 -12.710 0.780 1.00 0.00 C ATOM 1017 O ASN A 69 9.208 -11.573 0.812 1.00 0.00 O ATOM 1018 CB ASN A 69 9.886 -13.508 3.131 1.00 0.00 C ATOM 1019 CG ASN A 69 9.120 -14.829 3.050 1.00 0.00 C ATOM 1020 OD1 ASN A 69 8.892 -15.385 1.981 1.00 0.00 O ATOM 1021 ND2 ASN A 69 8.672 -15.347 4.183 1.00 0.00 N ATOM 0 H ASN A 69 11.105 -11.130 2.117 1.00 0.00 H new ATOM 0 HA ASN A 69 11.217 -14.021 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.590 -13.561 3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.182 -12.708 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.134 -16.213 4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.865 -14.880 5.069 1.00 0.00 H new ATOM 1028 N ALA A 70 9.325 -13.611 -0.129 1.00 0.00 N ATOM 1029 CA ALA A 70 8.431 -13.267 -1.198 1.00 0.00 C ATOM 1030 C ALA A 70 7.021 -13.143 -0.649 1.00 0.00 C ATOM 1031 O ALA A 70 6.218 -12.406 -1.211 1.00 0.00 O ATOM 1032 CB ALA A 70 8.510 -14.311 -2.308 1.00 0.00 C ATOM 0 H ALA A 70 9.647 -14.579 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 70 8.720 -12.309 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.827 -14.039 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.528 -14.354 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.231 -15.287 -1.910 1.00 0.00 H new ATOM 1038 N ASP A 71 6.739 -13.827 0.465 1.00 0.00 N ATOM 1039 CA ASP A 71 5.435 -13.766 1.090 1.00 0.00 C ATOM 1040 C ASP A 71 5.105 -12.343 1.578 1.00 0.00 C ATOM 1041 O ASP A 71 3.933 -11.977 1.683 1.00 0.00 O ATOM 1042 CB ASP A 71 5.361 -14.764 2.248 1.00 0.00 C ATOM 1043 CG ASP A 71 3.976 -14.743 2.913 1.00 0.00 C ATOM 1044 OD1 ASP A 71 2.996 -15.219 2.288 1.00 0.00 O ATOM 1045 OD2 ASP A 71 3.868 -14.301 4.082 1.00 0.00 O ATOM 0 H ASP A 71 7.407 -14.429 0.946 1.00 0.00 H new ATOM 0 HA ASP A 71 4.690 -14.034 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.576 -15.768 1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.126 -14.525 2.987 1.00 0.00 H new ATOM 1050 N ASP A 72 6.130 -11.520 1.843 1.00 0.00 N ATOM 1051 CA ASP A 72 5.970 -10.124 2.230 1.00 0.00 C ATOM 1052 C ASP A 72 5.650 -9.220 1.034 1.00 0.00 C ATOM 1053 O ASP A 72 5.015 -8.170 1.181 1.00 0.00 O ATOM 1054 CB ASP A 72 7.252 -9.628 2.902 1.00 0.00 C ATOM 1055 CG ASP A 72 7.033 -8.244 3.539 1.00 0.00 C ATOM 1056 OD1 ASP A 72 6.219 -8.134 4.487 1.00 0.00 O ATOM 1057 OD2 ASP A 72 7.707 -7.269 3.130 1.00 0.00 O ATOM 0 H ASP A 72 7.105 -11.817 1.792 1.00 0.00 H new ATOM 0 HA ASP A 72 5.128 -10.074 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.567 -10.339 3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.055 -9.573 2.167 1.00 0.00 H new ATOM 1062 N TYR A 73 6.106 -9.629 -0.152 1.00 0.00 N ATOM 1063 CA TYR A 73 5.970 -8.915 -1.406 1.00 0.00 C ATOM 1064 C TYR A 73 4.591 -9.124 -2.042 1.00 0.00 C ATOM 1065 O TYR A 73 3.786 -9.932 -1.576 1.00 0.00 O ATOM 1066 CB TYR A 73 7.115 -9.306 -2.359 1.00 0.00 C ATOM 1067 CG TYR A 73 8.384 -8.504 -2.149 1.00 0.00 C ATOM 1068 CD1 TYR A 73 9.109 -8.622 -0.948 1.00 0.00 C ATOM 1069 CD2 TYR A 73 8.844 -7.635 -3.160 1.00 0.00 C ATOM 1070 CE1 TYR A 73 10.290 -7.889 -0.754 1.00 0.00 C ATOM 1071 CE2 TYR A 73 10.030 -6.901 -2.972 1.00 0.00 C ATOM 1072 CZ TYR A 73 10.768 -7.041 -1.775 1.00 0.00 C ATOM 1073 OH TYR A 73 11.964 -6.416 -1.628 1.00 0.00 O ATOM 0 H TYR A 73 6.604 -10.513 -0.260 1.00 0.00 H new ATOM 0 HA TYR A 73 6.045 -7.847 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.339 -10.365 -2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.780 -9.176 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.754 -9.282 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.286 -7.533 -4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.832 -7.974 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.377 -6.230 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 73 12.329 -6.196 -2.511 1.00 0.00 H new ATOM 1083 N ASP A 74 4.319 -8.374 -3.119 1.00 0.00 N ATOM 1084 CA ASP A 74 3.092 -8.500 -3.907 1.00 0.00 C ATOM 1085 C ASP A 74 3.391 -8.841 -5.367 1.00 0.00 C ATOM 1086 O ASP A 74 2.681 -9.658 -5.957 1.00 0.00 O ATOM 1087 CB ASP A 74 2.284 -7.206 -3.825 1.00 0.00 C ATOM 1088 CG ASP A 74 0.985 -7.327 -4.642 1.00 0.00 C ATOM 1089 OD1 ASP A 74 -0.004 -7.881 -4.104 1.00 0.00 O ATOM 1090 OD2 ASP A 74 0.943 -6.831 -5.791 1.00 0.00 O ATOM 0 H ASP A 74 4.954 -7.656 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 74 2.509 -9.320 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.047 -6.984 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.880 -6.374 -4.200 1.00 0.00 H new ATOM 1095 N VAL A 75 4.458 -8.277 -5.948 1.00 0.00 N ATOM 1096 CA VAL A 75 4.714 -8.365 -7.375 1.00 0.00 C ATOM 1097 C VAL A 75 6.198 -8.593 -7.638 1.00 0.00 C ATOM 1098 O VAL A 75 7.060 -7.956 -7.030 1.00 0.00 O ATOM 1099 CB VAL A 75 4.147 -7.107 -8.078 1.00 0.00 C ATOM 1100 CG1 VAL A 75 4.190 -5.786 -7.292 1.00 0.00 C ATOM 1101 CG2 VAL A 75 4.751 -6.914 -9.479 1.00 0.00 C ATOM 0 H VAL A 75 5.163 -7.749 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 75 4.200 -9.227 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 75 3.085 -7.340 -8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.763 -4.988 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.614 -5.891 -6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.224 -5.542 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.327 -6.021 -9.938 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.832 -6.801 -9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.523 -7.783 -10.097 1.00 0.00 H new ATOM 1111 N VAL A 76 6.502 -9.496 -8.566 1.00 0.00 N ATOM 1112 CA VAL A 76 7.861 -9.889 -8.876 1.00 0.00 C ATOM 1113 C VAL A 76 7.888 -10.220 -10.368 1.00 0.00 C ATOM 1114 O VAL A 76 7.066 -11.002 -10.856 1.00 0.00 O ATOM 1115 CB VAL A 76 8.229 -11.103 -8.007 1.00 0.00 C ATOM 1116 CG1 VAL A 76 9.608 -11.665 -8.382 1.00 0.00 C ATOM 1117 CG2 VAL A 76 8.219 -10.839 -6.483 1.00 0.00 C ATOM 0 H VAL A 76 5.799 -9.977 -9.127 1.00 0.00 H new ATOM 0 HA VAL A 76 8.588 -9.105 -8.666 1.00 0.00 H new ATOM 0 HB VAL A 76 7.439 -11.823 -8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.836 -12.522 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.602 -11.977 -9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.366 -10.895 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.491 -11.752 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.937 -10.054 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.222 -10.524 -6.175 1.00 0.00 H new ATOM 1127 N ILE A 77 8.838 -9.627 -11.087 1.00 0.00 N ATOM 1128 CA ILE A 77 9.048 -9.855 -12.503 1.00 0.00 C ATOM 1129 C ILE A 77 10.344 -10.646 -12.636 1.00 0.00 C ATOM 1130 O ILE A 77 11.378 -10.204 -12.119 1.00 0.00 O ATOM 1131 CB ILE A 77 9.160 -8.517 -13.258 1.00 0.00 C ATOM 1132 CG1 ILE A 77 8.143 -7.427 -12.842 1.00 0.00 C ATOM 1133 CG2 ILE A 77 9.142 -8.748 -14.778 1.00 0.00 C ATOM 1134 CD1 ILE A 77 6.656 -7.780 -12.906 1.00 0.00 C ATOM 0 H ILE A 77 9.496 -8.959 -10.685 1.00 0.00 H new ATOM 0 HA ILE A 77 8.209 -10.402 -12.934 1.00 0.00 H new ATOM 0 HB ILE A 77 10.125 -8.108 -12.959 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.373 -7.127 -11.820 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.308 -6.555 -13.475 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.222 -7.790 -15.293 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.982 -9.383 -15.060 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.209 -9.235 -15.061 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.064 -6.922 -12.587 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.389 -8.045 -13.929 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.454 -8.625 -12.248 1.00 0.00 H new ATOM 1146 N SER A 78 10.301 -11.762 -13.358 1.00 0.00 N ATOM 1147 CA SER A 78 11.486 -12.488 -13.756 1.00 0.00 C ATOM 1148 C SER A 78 11.802 -11.967 -15.149 1.00 0.00 C ATOM 1149 O SER A 78 11.133 -12.333 -16.109 1.00 0.00 O ATOM 1150 CB SER A 78 11.225 -13.994 -13.774 1.00 0.00 C ATOM 1151 OG SER A 78 11.023 -14.485 -12.459 1.00 0.00 O ATOM 0 H SER A 78 9.431 -12.185 -13.682 1.00 0.00 H new ATOM 0 HA SER A 78 12.315 -12.339 -13.064 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.349 -14.209 -14.386 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.069 -14.509 -14.234 1.00 0.00 H new ATOM 0 HG SER A 78 11.311 -15.421 -12.411 1.00 0.00 H new ATOM 1157 N LEU A 79 12.777 -11.062 -15.280 1.00 0.00 N ATOM 1158 CA LEU A 79 13.006 -10.341 -16.541 1.00 0.00 C ATOM 1159 C LEU A 79 13.489 -11.235 -17.690 1.00 0.00 C ATOM 1160 O LEU A 79 13.671 -10.730 -18.795 1.00 0.00 O ATOM 1161 CB LEU A 79 13.953 -9.151 -16.316 1.00 0.00 C ATOM 1162 CG LEU A 79 13.267 -7.919 -15.710 1.00 0.00 C ATOM 1163 CD1 LEU A 79 14.380 -6.996 -15.224 1.00 0.00 C ATOM 1164 CD2 LEU A 79 12.420 -7.170 -16.741 1.00 0.00 C ATOM 0 H LEU A 79 13.421 -10.810 -14.530 1.00 0.00 H new ATOM 0 HA LEU A 79 12.034 -9.966 -16.861 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.764 -9.464 -15.659 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.404 -8.872 -17.268 1.00 0.00 H new ATOM 0 HG LEU A 79 12.600 -8.232 -14.907 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.943 -6.100 -14.782 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.981 -7.513 -14.476 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.012 -6.714 -16.066 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.953 -6.306 -16.269 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.056 -6.836 -17.561 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.647 -7.834 -17.128 1.00 0.00 H new ATOM 1176 N CYS A 80 13.750 -12.514 -17.439 1.00 0.00 N ATOM 1177 CA CYS A 80 13.989 -13.542 -18.433 1.00 0.00 C ATOM 1178 C CYS A 80 13.523 -14.858 -17.811 1.00 0.00 C ATOM 1179 O CYS A 80 13.622 -15.022 -16.589 1.00 0.00 O ATOM 1180 CB CYS A 80 15.460 -13.655 -18.881 1.00 0.00 C ATOM 1181 SG CYS A 80 16.714 -12.535 -18.194 1.00 0.00 S ATOM 0 H CYS A 80 13.802 -12.875 -16.486 1.00 0.00 H new ATOM 0 HA CYS A 80 13.441 -13.287 -19.340 1.00 0.00 H new ATOM 0 HB2 CYS A 80 15.785 -14.673 -18.668 1.00 0.00 H new ATOM 0 HB3 CYS A 80 15.478 -13.534 -19.964 1.00 0.00 H new ATOM 1186 N GLY A 81 13.097 -15.808 -18.650 1.00 0.00 N ATOM 1187 CA GLY A 81 12.726 -17.156 -18.231 1.00 0.00 C ATOM 1188 C GLY A 81 11.660 -17.134 -17.130 1.00 0.00 C ATOM 1189 O GLY A 81 10.744 -16.306 -17.164 1.00 0.00 O ATOM 0 H GLY A 81 13.000 -15.656 -19.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.351 -17.714 -19.089 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.610 -17.682 -17.871 1.00 0.00 H new ATOM 1193 N SER A 82 11.799 -18.041 -16.158 1.00 0.00 N ATOM 1194 CA SER A 82 10.932 -18.109 -14.986 1.00 0.00 C ATOM 1195 C SER A 82 11.807 -18.243 -13.739 1.00 0.00 C ATOM 1196 O SER A 82 12.021 -17.247 -13.049 1.00 0.00 O ATOM 1197 CB SER A 82 9.878 -19.222 -15.136 1.00 0.00 C ATOM 1198 OG SER A 82 9.169 -19.105 -16.366 1.00 0.00 O ATOM 0 H SER A 82 12.527 -18.756 -16.167 1.00 0.00 H new ATOM 0 HA SER A 82 10.353 -17.191 -14.884 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.365 -20.196 -15.087 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.176 -19.175 -14.304 1.00 0.00 H new ATOM 0 HG SER A 82 8.508 -19.826 -16.433 1.00 0.00 H new ATOM 1204 N GLY A 83 12.351 -19.440 -13.479 1.00 0.00 N ATOM 1205 CA GLY A 83 13.192 -19.705 -12.310 1.00 0.00 C ATOM 1206 C GLY A 83 14.610 -19.186 -12.497 1.00 0.00 C ATOM 1207 O GLY A 83 15.155 -18.609 -11.566 1.00 0.00 O ATOM 0 H GLY A 83 12.217 -20.254 -14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.748 -19.238 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.221 -20.778 -12.120 1.00 0.00 H new ATOM 1211 N VAL A 84 15.196 -19.339 -13.689 1.00 0.00 N ATOM 1212 CA VAL A 84 16.562 -18.921 -14.029 1.00 0.00 C ATOM 1213 C VAL A 84 17.600 -19.361 -12.970 1.00 0.00 C ATOM 1214 O VAL A 84 18.075 -20.495 -13.041 1.00 0.00 O ATOM 1215 CB VAL A 84 16.620 -17.456 -14.544 1.00 0.00 C ATOM 1216 CG1 VAL A 84 15.955 -17.367 -15.926 1.00 0.00 C ATOM 1217 CG2 VAL A 84 15.943 -16.394 -13.657 1.00 0.00 C ATOM 0 H VAL A 84 14.713 -19.775 -14.475 1.00 0.00 H new ATOM 0 HA VAL A 84 16.894 -19.480 -14.904 1.00 0.00 H new ATOM 0 HB VAL A 84 17.686 -17.227 -14.553 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.997 -16.339 -16.285 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.481 -18.017 -16.625 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.914 -17.682 -15.850 1.00 0.00 H new ATOM 0 HG21 VAL A 84 16.049 -15.413 -14.119 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.885 -16.632 -13.548 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.416 -16.385 -12.675 1.00 0.00 H new ATOM 1227 N ASN A 85 17.942 -18.511 -11.991 1.00 0.00 N ATOM 1228 CA ASN A 85 18.774 -18.863 -10.831 1.00 0.00 C ATOM 1229 C ASN A 85 18.234 -18.148 -9.580 1.00 0.00 C ATOM 1230 O ASN A 85 18.974 -17.497 -8.842 1.00 0.00 O ATOM 1231 CB ASN A 85 20.266 -18.552 -11.087 1.00 0.00 C ATOM 1232 CG ASN A 85 21.168 -19.126 -9.984 1.00 0.00 C ATOM 1233 OD1 ASN A 85 20.796 -20.063 -9.276 1.00 0.00 O ATOM 1234 ND2 ASN A 85 22.389 -18.633 -9.832 1.00 0.00 N ATOM 0 H ASN A 85 17.641 -17.537 -11.984 1.00 0.00 H new ATOM 0 HA ASN A 85 18.716 -19.938 -10.663 1.00 0.00 H new ATOM 0 HB2 ASN A 85 20.563 -18.966 -12.051 1.00 0.00 H new ATOM 0 HB3 ASN A 85 20.407 -17.473 -11.146 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.016 -19.029 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 85 22.702 -17.857 -10.416 1.00 0.00 H new ATOM 1241 N LEU A 86 16.910 -18.184 -9.406 1.00 0.00 N ATOM 1242 CA LEU A 86 16.138 -17.414 -8.433 1.00 0.00 C ATOM 1243 C LEU A 86 15.088 -18.334 -7.767 1.00 0.00 C ATOM 1244 O LEU A 86 14.523 -19.183 -8.464 1.00 0.00 O ATOM 1245 CB LEU A 86 15.537 -16.208 -9.189 1.00 0.00 C ATOM 1246 CG LEU A 86 14.372 -15.488 -8.487 1.00 0.00 C ATOM 1247 CD1 LEU A 86 14.450 -13.972 -8.709 1.00 0.00 C ATOM 1248 CD2 LEU A 86 13.043 -15.964 -9.080 1.00 0.00 C ATOM 0 H LEU A 86 16.316 -18.787 -9.975 1.00 0.00 H new ATOM 0 HA LEU A 86 16.747 -17.029 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.331 -15.484 -9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 86 15.192 -16.551 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 86 14.437 -15.714 -7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.616 -13.487 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.389 -13.593 -8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.401 -13.758 -9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.219 -15.453 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 86 13.019 -15.738 -10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.944 -17.040 -8.935 1.00 0.00 H new ATOM 1260 N PRO A 87 14.825 -18.223 -6.444 1.00 0.00 N ATOM 1261 CA PRO A 87 13.965 -19.185 -5.747 1.00 0.00 C ATOM 1262 C PRO A 87 12.486 -19.117 -6.176 1.00 0.00 C ATOM 1263 O PRO A 87 12.004 -18.040 -6.528 1.00 0.00 O ATOM 1264 CB PRO A 87 14.163 -18.951 -4.246 1.00 0.00 C ATOM 1265 CG PRO A 87 15.504 -18.225 -4.164 1.00 0.00 C ATOM 1266 CD PRO A 87 15.542 -17.418 -5.458 1.00 0.00 C ATOM 0 HA PRO A 87 14.255 -20.200 -6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.357 -18.350 -3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.182 -19.891 -3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.561 -17.581 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.338 -18.924 -4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.068 -16.445 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.568 -17.233 -5.775 1.00 0.00 H new ATOM 1274 N PRO A 88 11.727 -20.224 -6.132 1.00 0.00 N ATOM 1275 CA PRO A 88 10.394 -20.289 -6.726 1.00 0.00 C ATOM 1276 C PRO A 88 9.322 -19.460 -6.026 1.00 0.00 C ATOM 1277 O PRO A 88 8.418 -19.001 -6.717 1.00 0.00 O ATOM 1278 CB PRO A 88 10.033 -21.775 -6.757 1.00 0.00 C ATOM 1279 CG PRO A 88 10.843 -22.360 -5.599 1.00 0.00 C ATOM 1280 CD PRO A 88 12.127 -21.533 -5.639 1.00 0.00 C ATOM 0 HA PRO A 88 10.425 -19.839 -7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.963 -21.932 -6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.302 -22.234 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.323 -22.255 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.041 -23.423 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.578 -21.459 -4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 88 12.869 -21.990 -6.294 1.00 0.00 H new ATOM 1288 N GLU A 89 9.397 -19.183 -4.722 1.00 0.00 N ATOM 1289 CA GLU A 89 8.376 -18.362 -4.068 1.00 0.00 C ATOM 1290 C GLU A 89 8.318 -16.940 -4.655 1.00 0.00 C ATOM 1291 O GLU A 89 7.326 -16.225 -4.481 1.00 0.00 O ATOM 1292 CB GLU A 89 8.563 -18.340 -2.541 1.00 0.00 C ATOM 1293 CG GLU A 89 9.927 -17.816 -2.053 1.00 0.00 C ATOM 1294 CD GLU A 89 10.917 -18.964 -1.761 1.00 0.00 C ATOM 1295 OE1 GLU A 89 11.287 -19.708 -2.698 1.00 0.00 O ATOM 1296 OE2 GLU A 89 11.325 -19.124 -0.583 1.00 0.00 O ATOM 0 H GLU A 89 10.142 -19.509 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 89 7.412 -18.828 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.778 -17.723 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.423 -19.351 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.352 -17.154 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.785 -17.221 -1.151 1.00 0.00 H new ATOM 1303 N TRP A 90 9.364 -16.531 -5.375 1.00 0.00 N ATOM 1304 CA TRP A 90 9.417 -15.262 -6.069 1.00 0.00 C ATOM 1305 C TRP A 90 8.618 -15.317 -7.367 1.00 0.00 C ATOM 1306 O TRP A 90 7.858 -14.394 -7.661 1.00 0.00 O ATOM 1307 CB TRP A 90 10.892 -14.924 -6.278 1.00 0.00 C ATOM 1308 CG TRP A 90 11.609 -14.624 -4.998 1.00 0.00 C ATOM 1309 CD1 TRP A 90 12.454 -15.435 -4.329 1.00 0.00 C ATOM 1310 CD2 TRP A 90 11.441 -13.458 -4.147 1.00 0.00 C ATOM 1311 NE1 TRP A 90 12.788 -14.864 -3.112 1.00 0.00 N ATOM 1312 CE2 TRP A 90 12.146 -13.657 -2.928 1.00 0.00 C ATOM 1313 CE3 TRP A 90 10.707 -12.273 -4.282 1.00 0.00 C ATOM 1314 CZ2 TRP A 90 12.092 -12.725 -1.879 1.00 0.00 C ATOM 1315 CZ3 TRP A 90 10.605 -11.351 -3.232 1.00 0.00 C ATOM 1316 CH2 TRP A 90 11.303 -11.569 -2.036 1.00 0.00 C ATOM 0 H TRP A 90 10.210 -17.090 -5.489 1.00 0.00 H new ATOM 0 HA TRP A 90 8.952 -14.468 -5.485 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.384 -15.759 -6.777 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.972 -14.064 -6.943 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.816 -16.387 -4.688 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.428 -15.283 -2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.208 -12.065 -5.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.646 -12.892 -0.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.988 -10.472 -3.344 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.236 -10.849 -1.234 1.00 0.00 H new ATOM 1327 N VAL A 91 8.726 -16.410 -8.120 1.00 0.00 N ATOM 1328 CA VAL A 91 8.031 -16.584 -9.385 1.00 0.00 C ATOM 1329 C VAL A 91 6.540 -16.868 -9.185 1.00 0.00 C ATOM 1330 O VAL A 91 5.804 -16.889 -10.168 1.00 0.00 O ATOM 1331 CB VAL A 91 8.739 -17.617 -10.293 1.00 0.00 C ATOM 1332 CG1 VAL A 91 10.270 -17.514 -10.221 1.00 0.00 C ATOM 1333 CG2 VAL A 91 8.357 -19.091 -10.092 1.00 0.00 C ATOM 0 H VAL A 91 9.307 -17.207 -7.862 1.00 0.00 H new ATOM 0 HA VAL A 91 8.080 -15.636 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 91 8.366 -17.328 -11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.716 -18.261 -10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.583 -16.519 -10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.599 -17.688 -9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.922 -19.711 -10.788 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.587 -19.390 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.290 -19.219 -10.276 1.00 0.00 H new ATOM 1343 N THR A 92 6.077 -17.080 -7.950 1.00 0.00 N ATOM 1344 CA THR A 92 4.684 -17.396 -7.668 1.00 0.00 C ATOM 1345 C THR A 92 3.918 -16.260 -6.977 1.00 0.00 C ATOM 1346 O THR A 92 2.855 -16.505 -6.391 1.00 0.00 O ATOM 1347 CB THR A 92 4.639 -18.728 -6.905 1.00 0.00 C ATOM 1348 OG1 THR A 92 5.360 -18.628 -5.688 1.00 0.00 O ATOM 1349 CG2 THR A 92 5.269 -19.853 -7.730 1.00 0.00 C ATOM 0 H THR A 92 6.665 -17.036 -7.118 1.00 0.00 H new ATOM 0 HA THR A 92 4.148 -17.509 -8.611 1.00 0.00 H new ATOM 0 HB THR A 92 3.590 -18.952 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.321 -19.484 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.225 -20.786 -7.167 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.723 -19.968 -8.666 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.309 -19.608 -7.945 1.00 0.00 H new ATOM 1357 N GLN A 93 4.422 -15.019 -7.036 1.00 0.00 N ATOM 1358 CA GLN A 93 3.713 -13.888 -6.460 1.00 0.00 C ATOM 1359 C GLN A 93 2.427 -13.567 -7.241 1.00 0.00 C ATOM 1360 O GLN A 93 2.184 -14.136 -8.309 1.00 0.00 O ATOM 1361 CB GLN A 93 4.662 -12.694 -6.220 1.00 0.00 C ATOM 1362 CG GLN A 93 5.646 -13.000 -5.070 1.00 0.00 C ATOM 1363 CD GLN A 93 4.925 -13.480 -3.801 1.00 0.00 C ATOM 1364 OE1 GLN A 93 3.963 -12.860 -3.353 1.00 0.00 O ATOM 1365 NE2 GLN A 93 5.306 -14.628 -3.256 1.00 0.00 N ATOM 0 H GLN A 93 5.312 -14.783 -7.475 1.00 0.00 H new ATOM 0 HA GLN A 93 3.359 -14.159 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.218 -12.476 -7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.081 -11.804 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.354 -13.763 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.224 -12.105 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.106 -15.133 -3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.799 -15.006 -2.456 1.00 0.00 H new ATOM 1374 N GLU A 94 1.596 -12.666 -6.698 1.00 0.00 N ATOM 1375 CA GLU A 94 0.230 -12.415 -7.177 1.00 0.00 C ATOM 1376 C GLU A 94 0.177 -12.044 -8.665 1.00 0.00 C ATOM 1377 O GLU A 94 -0.804 -12.358 -9.347 1.00 0.00 O ATOM 1378 CB GLU A 94 -0.446 -11.327 -6.325 1.00 0.00 C ATOM 1379 CG GLU A 94 -0.607 -11.697 -4.842 1.00 0.00 C ATOM 1380 CD GLU A 94 -1.479 -12.954 -4.644 1.00 0.00 C ATOM 1381 OE1 GLU A 94 -2.726 -12.857 -4.758 1.00 0.00 O ATOM 1382 OE2 GLU A 94 -0.926 -14.042 -4.353 1.00 0.00 O ATOM 0 H GLU A 94 1.858 -12.083 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.318 -13.351 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.138 -10.410 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.430 -11.113 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.376 -11.867 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.054 -10.859 -4.307 1.00 0.00 H new ATOM 1389 N ILE A 95 1.231 -11.405 -9.172 1.00 0.00 N ATOM 1390 CA ILE A 95 1.459 -11.178 -10.588 1.00 0.00 C ATOM 1391 C ILE A 95 2.902 -11.633 -10.836 1.00 0.00 C ATOM 1392 O ILE A 95 3.850 -11.071 -10.278 1.00 0.00 O ATOM 1393 CB ILE A 95 1.134 -9.724 -11.016 1.00 0.00 C ATOM 1394 CG1 ILE A 95 1.675 -9.433 -12.437 1.00 0.00 C ATOM 1395 CG2 ILE A 95 1.644 -8.696 -9.996 1.00 0.00 C ATOM 1396 CD1 ILE A 95 1.043 -8.208 -13.123 1.00 0.00 C ATOM 0 H ILE A 95 1.971 -11.021 -8.584 1.00 0.00 H new ATOM 0 HA ILE A 95 0.781 -11.750 -11.222 1.00 0.00 H new ATOM 0 HB ILE A 95 0.049 -9.626 -11.043 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.753 -9.284 -12.378 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.508 -10.310 -13.062 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.394 -7.691 -10.336 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.175 -8.879 -9.029 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.726 -8.787 -9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.481 -8.079 -14.113 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.032 -8.359 -13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.232 -7.317 -12.524 1.00 0.00 H new ATOM 1408 N PHE A 96 3.040 -12.691 -11.634 1.00 0.00 N ATOM 1409 CA PHE A 96 4.307 -13.151 -12.176 1.00 0.00 C ATOM 1410 C PHE A 96 4.351 -12.634 -13.620 1.00 0.00 C ATOM 1411 O PHE A 96 3.357 -12.751 -14.346 1.00 0.00 O ATOM 1412 CB PHE A 96 4.420 -14.674 -12.099 1.00 0.00 C ATOM 1413 CG PHE A 96 5.460 -15.258 -13.042 1.00 0.00 C ATOM 1414 CD1 PHE A 96 6.832 -15.150 -12.741 1.00 0.00 C ATOM 1415 CD2 PHE A 96 5.058 -15.871 -14.246 1.00 0.00 C ATOM 1416 CE1 PHE A 96 7.791 -15.658 -13.634 1.00 0.00 C ATOM 1417 CE2 PHE A 96 6.019 -16.364 -15.145 1.00 0.00 C ATOM 1418 CZ PHE A 96 7.386 -16.253 -14.841 1.00 0.00 C ATOM 0 H PHE A 96 2.248 -13.264 -11.926 1.00 0.00 H new ATOM 0 HA PHE A 96 5.155 -12.773 -11.605 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.668 -14.960 -11.077 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.449 -15.114 -12.326 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.147 -14.676 -11.823 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.007 -15.962 -14.478 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.841 -15.591 -13.392 1.00 0.00 H new ATOM 0 HE2 PHE A 96 5.707 -16.828 -16.069 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.126 -16.625 -15.535 1.00 0.00 H new ATOM 1428 N GLU A 97 5.478 -12.067 -14.039 1.00 0.00 N ATOM 1429 CA GLU A 97 5.687 -11.540 -15.385 1.00 0.00 C ATOM 1430 C GLU A 97 7.121 -11.830 -15.820 1.00 0.00 C ATOM 1431 O GLU A 97 7.988 -12.161 -15.006 1.00 0.00 O ATOM 1432 CB GLU A 97 5.411 -10.033 -15.449 1.00 0.00 C ATOM 1433 CG GLU A 97 3.942 -9.595 -15.402 1.00 0.00 C ATOM 1434 CD GLU A 97 3.180 -9.789 -16.732 1.00 0.00 C ATOM 1435 OE1 GLU A 97 3.520 -10.680 -17.545 1.00 0.00 O ATOM 1436 OE2 GLU A 97 2.204 -9.035 -16.963 1.00 0.00 O ATOM 0 H GLU A 97 6.294 -11.958 -13.436 1.00 0.00 H new ATOM 0 HA GLU A 97 4.987 -12.031 -16.061 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.934 -9.557 -14.620 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.851 -9.646 -16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.432 -10.156 -14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.897 -8.543 -15.121 1.00 0.00 H new ATOM 1443 N ASP A 98 7.331 -11.699 -17.124 1.00 0.00 N ATOM 1444 CA ASP A 98 8.504 -12.086 -17.888 1.00 0.00 C ATOM 1445 C ASP A 98 8.333 -11.492 -19.279 1.00 0.00 C ATOM 1446 O ASP A 98 7.264 -11.642 -19.884 1.00 0.00 O ATOM 1447 CB ASP A 98 8.640 -13.611 -18.003 1.00 0.00 C ATOM 1448 CG ASP A 98 9.555 -14.006 -19.186 1.00 0.00 C ATOM 1449 OD1 ASP A 98 10.719 -13.542 -19.261 1.00 0.00 O ATOM 1450 OD2 ASP A 98 9.088 -14.765 -20.074 1.00 0.00 O ATOM 0 H ASP A 98 6.620 -11.282 -17.724 1.00 0.00 H new ATOM 0 HA ASP A 98 9.402 -11.723 -17.388 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.047 -14.013 -17.075 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.655 -14.057 -18.138 1.00 0.00 H new ATOM 1455 N TRP A 99 9.362 -10.799 -19.766 1.00 0.00 N ATOM 1456 CA TRP A 99 9.283 -9.994 -20.976 1.00 0.00 C ATOM 1457 C TRP A 99 10.550 -10.105 -21.814 1.00 0.00 C ATOM 1458 O TRP A 99 11.656 -10.211 -21.278 1.00 0.00 O ATOM 1459 CB TRP A 99 9.043 -8.527 -20.583 1.00 0.00 C ATOM 1460 CG TRP A 99 7.716 -8.244 -19.955 1.00 0.00 C ATOM 1461 CD1 TRP A 99 6.502 -8.643 -20.404 1.00 0.00 C ATOM 1462 CD2 TRP A 99 7.454 -7.543 -18.711 1.00 0.00 C ATOM 1463 NE1 TRP A 99 5.521 -8.250 -19.512 1.00 0.00 N ATOM 1464 CE2 TRP A 99 6.050 -7.545 -18.464 1.00 0.00 C ATOM 1465 CE3 TRP A 99 8.274 -6.924 -17.756 1.00 0.00 C ATOM 1466 CZ2 TRP A 99 5.485 -6.956 -17.328 1.00 0.00 C ATOM 1467 CZ3 TRP A 99 7.719 -6.375 -16.591 1.00 0.00 C ATOM 1468 CH2 TRP A 99 6.334 -6.386 -16.374 1.00 0.00 C ATOM 0 H TRP A 99 10.281 -10.783 -19.324 1.00 0.00 H new ATOM 0 HA TRP A 99 8.457 -10.365 -21.583 1.00 0.00 H new ATOM 0 HB2 TRP A 99 9.827 -8.220 -19.891 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.144 -7.908 -21.474 1.00 0.00 H new ATOM 0 HD1 TRP A 99 6.327 -9.186 -21.321 1.00 0.00 H new ATOM 0 HE1 TRP A 99 4.529 -8.459 -19.621 1.00 0.00 H new ATOM 0 HE3 TRP A 99 9.340 -6.870 -17.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.414 -6.942 -17.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 8.369 -5.936 -15.849 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.924 -5.955 -15.472 1.00 0.00 H new ATOM 1479 N GLN A 100 10.383 -10.007 -23.136 1.00 0.00 N ATOM 1480 CA GLN A 100 11.490 -9.865 -24.068 1.00 0.00 C ATOM 1481 C GLN A 100 11.975 -8.423 -23.902 1.00 0.00 C ATOM 1482 O GLN A 100 11.234 -7.487 -24.216 1.00 0.00 O ATOM 1483 CB GLN A 100 11.068 -10.166 -25.523 1.00 0.00 C ATOM 1484 CG GLN A 100 10.320 -11.498 -25.741 1.00 0.00 C ATOM 1485 CD GLN A 100 8.816 -11.453 -25.431 1.00 0.00 C ATOM 1486 OE1 GLN A 100 8.261 -10.420 -25.053 1.00 0.00 O ATOM 1487 NE2 GLN A 100 8.119 -12.568 -25.577 1.00 0.00 N ATOM 0 H GLN A 100 9.468 -10.025 -23.586 1.00 0.00 H new ATOM 0 HA GLN A 100 12.283 -10.582 -23.855 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.433 -9.352 -25.873 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.961 -10.165 -26.148 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.453 -11.807 -26.778 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.782 -12.264 -25.118 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.582 -13.421 -25.890 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.119 -12.574 -25.376 1.00 0.00 H new ATOM 1496 N LEU A 101 13.175 -8.249 -23.356 1.00 0.00 N ATOM 1497 CA LEU A 101 13.842 -6.974 -23.131 1.00 0.00 C ATOM 1498 C LEU A 101 15.321 -7.281 -23.335 1.00 0.00 C ATOM 1499 O LEU A 101 15.813 -8.240 -22.745 1.00 0.00 O ATOM 1500 CB LEU A 101 13.571 -6.475 -21.689 1.00 0.00 C ATOM 1501 CG LEU A 101 12.177 -5.861 -21.465 1.00 0.00 C ATOM 1502 CD1 LEU A 101 11.968 -5.608 -19.967 1.00 0.00 C ATOM 1503 CD2 LEU A 101 11.967 -4.626 -22.346 1.00 0.00 C ATOM 0 H LEU A 101 13.738 -9.039 -23.042 1.00 0.00 H new ATOM 0 HA LEU A 101 13.491 -6.188 -23.800 1.00 0.00 H new ATOM 0 HB2 LEU A 101 13.698 -7.311 -21.001 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.325 -5.732 -21.430 1.00 0.00 H new ATOM 0 HG LEU A 101 11.403 -6.562 -21.778 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.982 -5.173 -19.806 1.00 0.00 H new ATOM 0 HD12 LEU A 101 12.042 -6.551 -19.425 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.732 -4.920 -19.604 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.974 -4.215 -22.165 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.720 -3.875 -22.106 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.058 -4.908 -23.395 1.00 0.00 H new ATOM 1515 N GLU A 102 16.033 -6.524 -24.169 1.00 0.00 N ATOM 1516 CA GLU A 102 17.452 -6.762 -24.394 1.00 0.00 C ATOM 1517 C GLU A 102 18.268 -6.228 -23.212 1.00 0.00 C ATOM 1518 O GLU A 102 17.830 -5.325 -22.497 1.00 0.00 O ATOM 1519 CB GLU A 102 17.934 -6.141 -25.720 1.00 0.00 C ATOM 1520 CG GLU A 102 17.241 -6.684 -26.975 1.00 0.00 C ATOM 1521 CD GLU A 102 17.385 -8.211 -27.127 1.00 0.00 C ATOM 1522 OE1 GLU A 102 18.530 -8.708 -27.261 1.00 0.00 O ATOM 1523 OE2 GLU A 102 16.353 -8.925 -27.123 1.00 0.00 O ATOM 0 H GLU A 102 15.648 -5.742 -24.698 1.00 0.00 H new ATOM 0 HA GLU A 102 17.604 -7.839 -24.471 1.00 0.00 H new ATOM 0 HB2 GLU A 102 17.782 -5.063 -25.676 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.007 -6.308 -25.814 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.183 -6.426 -26.940 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.659 -6.195 -27.855 1.00 0.00 H new ATOM 1530 N ASP A 103 19.468 -6.772 -23.011 1.00 0.00 N ATOM 1531 CA ASP A 103 20.464 -6.247 -22.101 1.00 0.00 C ATOM 1532 C ASP A 103 21.459 -5.483 -22.976 1.00 0.00 C ATOM 1533 O ASP A 103 22.131 -6.102 -23.807 1.00 0.00 O ATOM 1534 CB ASP A 103 21.155 -7.375 -21.329 1.00 0.00 C ATOM 1535 CG ASP A 103 22.286 -6.876 -20.409 1.00 0.00 C ATOM 1536 OD1 ASP A 103 22.571 -5.655 -20.366 1.00 0.00 O ATOM 1537 OD2 ASP A 103 22.866 -7.734 -19.704 1.00 0.00 O ATOM 0 H ASP A 103 19.775 -7.615 -23.496 1.00 0.00 H new ATOM 0 HA ASP A 103 20.017 -5.599 -21.348 1.00 0.00 H new ATOM 0 HB2 ASP A 103 20.414 -7.903 -20.729 1.00 0.00 H new ATOM 0 HB3 ASP A 103 21.563 -8.095 -22.038 1.00 0.00 H new ATOM 1542 N PRO A 104 21.524 -4.147 -22.884 1.00 0.00 N ATOM 1543 CA PRO A 104 22.378 -3.335 -23.741 1.00 0.00 C ATOM 1544 C PRO A 104 23.875 -3.428 -23.388 1.00 0.00 C ATOM 1545 O PRO A 104 24.684 -2.787 -24.066 1.00 0.00 O ATOM 1546 CB PRO A 104 21.813 -1.929 -23.603 1.00 0.00 C ATOM 1547 CG PRO A 104 21.299 -1.898 -22.164 1.00 0.00 C ATOM 1548 CD PRO A 104 20.733 -3.301 -22.000 1.00 0.00 C ATOM 0 HA PRO A 104 22.362 -3.684 -24.774 1.00 0.00 H new ATOM 0 HB2 PRO A 104 22.576 -1.170 -23.774 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.013 -1.744 -24.320 1.00 0.00 H new ATOM 0 HG2 PRO A 104 22.097 -1.694 -21.450 1.00 0.00 H new ATOM 0 HG3 PRO A 104 20.538 -1.131 -22.019 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.809 -3.636 -20.965 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.677 -3.332 -22.269 1.00 0.00 H new ATOM 1556 N ASP A 105 24.265 -4.207 -22.370 1.00 0.00 N ATOM 1557 CA ASP A 105 25.667 -4.465 -22.041 1.00 0.00 C ATOM 1558 C ASP A 105 26.472 -4.843 -23.292 1.00 0.00 C ATOM 1559 O ASP A 105 26.089 -5.753 -24.038 1.00 0.00 O ATOM 1560 CB ASP A 105 25.795 -5.619 -21.042 1.00 0.00 C ATOM 1561 CG ASP A 105 27.274 -6.015 -20.856 1.00 0.00 C ATOM 1562 OD1 ASP A 105 28.114 -5.124 -20.578 1.00 0.00 O ATOM 1563 OD2 ASP A 105 27.607 -7.216 -21.019 1.00 0.00 O ATOM 0 H ASP A 105 23.608 -4.678 -21.748 1.00 0.00 H new ATOM 0 HA ASP A 105 26.059 -3.545 -21.608 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.368 -5.326 -20.083 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.225 -6.478 -21.395 1.00 0.00 H new ATOM 1568 N GLY A 106 27.604 -4.163 -23.502 1.00 0.00 N ATOM 1569 CA GLY A 106 28.588 -4.530 -24.511 1.00 0.00 C ATOM 1570 C GLY A 106 28.134 -4.281 -25.951 1.00 0.00 C ATOM 1571 O GLY A 106 28.797 -4.771 -26.872 1.00 0.00 O ATOM 0 H GLY A 106 27.860 -3.333 -22.967 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.505 -3.969 -24.329 1.00 0.00 H new ATOM 0 HA3 GLY A 106 28.832 -5.586 -24.397 1.00 0.00 H new ATOM 1575 N GLN A 107 27.036 -3.548 -26.168 1.00 0.00 N ATOM 1576 CA GLN A 107 26.550 -3.178 -27.496 1.00 0.00 C ATOM 1577 C GLN A 107 26.194 -1.685 -27.549 1.00 0.00 C ATOM 1578 O GLN A 107 26.487 -0.929 -26.618 1.00 0.00 O ATOM 1579 CB GLN A 107 25.446 -4.148 -27.961 1.00 0.00 C ATOM 1580 CG GLN A 107 24.200 -4.177 -27.074 1.00 0.00 C ATOM 1581 CD GLN A 107 23.222 -5.272 -27.527 1.00 0.00 C ATOM 1582 OE1 GLN A 107 23.061 -5.537 -28.715 1.00 0.00 O ATOM 1583 NE2 GLN A 107 22.545 -5.954 -26.613 1.00 0.00 N ATOM 0 H GLN A 107 26.453 -3.191 -25.411 1.00 0.00 H new ATOM 0 HA GLN A 107 27.344 -3.294 -28.234 1.00 0.00 H new ATOM 0 HB2 GLN A 107 25.147 -3.877 -28.974 1.00 0.00 H new ATOM 0 HB3 GLN A 107 25.863 -5.154 -28.010 1.00 0.00 H new ATOM 0 HG2 GLN A 107 24.491 -4.352 -26.038 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.704 -3.207 -27.106 1.00 0.00 H new ATOM 0 HE21 GLN A 107 22.670 -5.743 -25.623 1.00 0.00 H new ATOM 0 HE22 GLN A 107 21.899 -6.689 -26.900 1.00 0.00 H new ATOM 1592 N SER A 108 25.599 -1.252 -28.663 1.00 0.00 N ATOM 1593 CA SER A 108 25.419 0.154 -28.995 1.00 0.00 C ATOM 1594 C SER A 108 24.434 0.934 -28.119 1.00 0.00 C ATOM 1595 O SER A 108 23.485 0.378 -27.566 1.00 0.00 O ATOM 1596 CB SER A 108 25.073 0.273 -30.491 1.00 0.00 C ATOM 1597 OG SER A 108 25.883 -0.600 -31.272 1.00 0.00 O ATOM 0 H SER A 108 25.224 -1.885 -29.370 1.00 0.00 H new ATOM 0 HA SER A 108 26.370 0.639 -28.776 1.00 0.00 H new ATOM 0 HB2 SER A 108 24.021 0.034 -30.645 1.00 0.00 H new ATOM 0 HB3 SER A 108 25.218 1.302 -30.821 1.00 0.00 H new ATOM 0 HG SER A 108 25.644 -0.509 -32.218 1.00 0.00 H new ATOM 1603 N LEU A 109 24.617 2.266 -28.081 1.00 0.00 N ATOM 1604 CA LEU A 109 23.731 3.221 -27.399 1.00 0.00 C ATOM 1605 C LEU A 109 22.324 3.171 -27.974 1.00 0.00 C ATOM 1606 O LEU A 109 21.365 3.386 -27.242 1.00 0.00 O ATOM 1607 CB LEU A 109 24.277 4.661 -27.478 1.00 0.00 C ATOM 1608 CG LEU A 109 25.656 4.901 -26.829 1.00 0.00 C ATOM 1609 CD1 LEU A 109 25.966 6.402 -26.834 1.00 0.00 C ATOM 1610 CD2 LEU A 109 25.751 4.370 -25.393 1.00 0.00 C ATOM 0 H LEU A 109 25.409 2.719 -28.538 1.00 0.00 H new ATOM 0 HA LEU A 109 23.694 2.926 -26.350 1.00 0.00 H new ATOM 0 HB2 LEU A 109 24.337 4.948 -28.528 1.00 0.00 H new ATOM 0 HB3 LEU A 109 23.555 5.328 -27.006 1.00 0.00 H new ATOM 0 HG LEU A 109 26.385 4.348 -27.422 1.00 0.00 H new ATOM 0 HD11 LEU A 109 26.940 6.574 -26.376 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.978 6.768 -27.861 1.00 0.00 H new ATOM 0 HD13 LEU A 109 25.200 6.934 -26.269 1.00 0.00 H new ATOM 0 HD21 LEU A 109 26.746 4.571 -24.996 1.00 0.00 H new ATOM 0 HD22 LEU A 109 25.005 4.866 -24.772 1.00 0.00 H new ATOM 0 HD23 LEU A 109 25.569 3.295 -25.390 1.00 0.00 H new ATOM 1622 N GLU A 110 22.182 2.812 -29.251 1.00 0.00 N ATOM 1623 CA GLU A 110 20.882 2.588 -29.871 1.00 0.00 C ATOM 1624 C GLU A 110 20.114 1.499 -29.118 1.00 0.00 C ATOM 1625 O GLU A 110 18.911 1.633 -28.916 1.00 0.00 O ATOM 1626 CB GLU A 110 21.092 2.239 -31.353 1.00 0.00 C ATOM 1627 CG GLU A 110 19.770 2.072 -32.111 1.00 0.00 C ATOM 1628 CD GLU A 110 20.016 1.861 -33.617 1.00 0.00 C ATOM 1629 OE1 GLU A 110 20.211 0.700 -34.048 1.00 0.00 O ATOM 1630 OE2 GLU A 110 20.009 2.856 -34.381 1.00 0.00 O ATOM 0 H GLU A 110 22.970 2.669 -29.883 1.00 0.00 H new ATOM 0 HA GLU A 110 20.275 3.492 -29.817 1.00 0.00 H new ATOM 0 HB2 GLU A 110 21.682 3.023 -31.827 1.00 0.00 H new ATOM 0 HB3 GLU A 110 21.669 1.317 -31.427 1.00 0.00 H new ATOM 0 HG2 GLU A 110 19.220 1.222 -31.707 1.00 0.00 H new ATOM 0 HG3 GLU A 110 19.148 2.954 -31.961 1.00 0.00 H new ATOM 1637 N VAL A 111 20.799 0.461 -28.634 1.00 0.00 N ATOM 1638 CA VAL A 111 20.177 -0.623 -27.888 1.00 0.00 C ATOM 1639 C VAL A 111 19.845 -0.141 -26.478 1.00 0.00 C ATOM 1640 O VAL A 111 18.719 -0.355 -26.051 1.00 0.00 O ATOM 1641 CB VAL A 111 21.016 -1.918 -27.910 1.00 0.00 C ATOM 1642 CG1 VAL A 111 20.145 -3.114 -27.480 1.00 0.00 C ATOM 1643 CG2 VAL A 111 21.609 -2.213 -29.301 1.00 0.00 C ATOM 0 H VAL A 111 21.806 0.353 -28.752 1.00 0.00 H new ATOM 0 HA VAL A 111 19.244 -0.897 -28.380 1.00 0.00 H new ATOM 0 HB VAL A 111 21.842 -1.771 -27.214 1.00 0.00 H new ATOM 0 HG11 VAL A 111 20.743 -4.025 -27.498 1.00 0.00 H new ATOM 0 HG12 VAL A 111 19.769 -2.946 -26.471 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.305 -3.218 -28.167 1.00 0.00 H new ATOM 0 HG21 VAL A 111 22.190 -3.134 -29.261 1.00 0.00 H new ATOM 0 HG22 VAL A 111 20.801 -2.324 -30.025 1.00 0.00 H new ATOM 0 HG23 VAL A 111 22.256 -1.389 -29.603 1.00 0.00 H new ATOM 1653 N PHE A 112 20.734 0.582 -25.781 1.00 0.00 N ATOM 1654 CA PHE A 112 20.391 1.193 -24.484 1.00 0.00 C ATOM 1655 C PHE A 112 19.129 2.051 -24.615 1.00 0.00 C ATOM 1656 O PHE A 112 18.199 1.909 -23.826 1.00 0.00 O ATOM 1657 CB PHE A 112 21.537 2.071 -23.954 1.00 0.00 C ATOM 1658 CG PHE A 112 22.737 1.357 -23.346 1.00 0.00 C ATOM 1659 CD1 PHE A 112 22.722 1.009 -21.981 1.00 0.00 C ATOM 1660 CD2 PHE A 112 23.872 1.042 -24.122 1.00 0.00 C ATOM 1661 CE1 PHE A 112 23.808 0.311 -21.417 1.00 0.00 C ATOM 1662 CE2 PHE A 112 24.968 0.378 -23.545 1.00 0.00 C ATOM 1663 CZ PHE A 112 24.933 -0.003 -22.196 1.00 0.00 C ATOM 0 H PHE A 112 21.690 0.758 -26.089 1.00 0.00 H new ATOM 0 HA PHE A 112 20.216 0.380 -23.780 1.00 0.00 H new ATOM 0 HB2 PHE A 112 21.894 2.692 -24.775 1.00 0.00 H new ATOM 0 HB3 PHE A 112 21.127 2.743 -23.201 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.876 1.278 -21.366 1.00 0.00 H new ATOM 0 HD2 PHE A 112 23.899 1.313 -25.167 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.775 0.016 -20.379 1.00 0.00 H new ATOM 0 HE2 PHE A 112 25.841 0.160 -24.143 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.766 -0.534 -21.759 1.00 0.00 H new ATOM 1673 N ARG A 113 19.055 2.904 -25.635 1.00 0.00 N ATOM 1674 CA ARG A 113 17.939 3.838 -25.811 1.00 0.00 C ATOM 1675 C ARG A 113 16.669 3.113 -26.261 1.00 0.00 C ATOM 1676 O ARG A 113 15.587 3.445 -25.784 1.00 0.00 O ATOM 1677 CB ARG A 113 18.381 4.950 -26.776 1.00 0.00 C ATOM 1678 CG ARG A 113 19.438 5.852 -26.109 1.00 0.00 C ATOM 1679 CD ARG A 113 20.118 6.768 -27.127 1.00 0.00 C ATOM 1680 NE ARG A 113 21.075 7.679 -26.474 1.00 0.00 N ATOM 1681 CZ ARG A 113 22.139 8.241 -27.060 1.00 0.00 C ATOM 1682 NH1 ARG A 113 22.447 7.985 -28.332 1.00 0.00 N ATOM 1683 NH2 ARG A 113 22.895 9.073 -26.363 1.00 0.00 N ATOM 0 H ARG A 113 19.766 2.969 -26.364 1.00 0.00 H new ATOM 0 HA ARG A 113 17.679 4.299 -24.858 1.00 0.00 H new ATOM 0 HB2 ARG A 113 18.791 4.510 -27.685 1.00 0.00 H new ATOM 0 HB3 ARG A 113 17.519 5.547 -27.072 1.00 0.00 H new ATOM 0 HG2 ARG A 113 18.966 6.455 -25.334 1.00 0.00 H new ATOM 0 HG3 ARG A 113 20.188 5.233 -25.618 1.00 0.00 H new ATOM 0 HD2 ARG A 113 20.637 6.165 -27.872 1.00 0.00 H new ATOM 0 HD3 ARG A 113 19.363 7.349 -27.657 1.00 0.00 H new ATOM 0 HE ARG A 113 20.913 7.900 -25.492 1.00 0.00 H new ATOM 0 HH11 ARG A 113 21.867 7.349 -28.879 1.00 0.00 H new ATOM 0 HH12 ARG A 113 23.263 8.425 -28.758 1.00 0.00 H new ATOM 0 HH21 ARG A 113 22.664 9.279 -25.391 1.00 0.00 H new ATOM 0 HH22 ARG A 113 23.709 9.508 -26.797 1.00 0.00 H new ATOM 1697 N THR A 114 16.790 2.068 -27.080 1.00 0.00 N ATOM 1698 CA THR A 114 15.691 1.191 -27.426 1.00 0.00 C ATOM 1699 C THR A 114 15.162 0.533 -26.156 1.00 0.00 C ATOM 1700 O THR A 114 13.962 0.579 -25.906 1.00 0.00 O ATOM 1701 CB THR A 114 16.227 0.168 -28.439 1.00 0.00 C ATOM 1702 OG1 THR A 114 16.363 0.766 -29.713 1.00 0.00 O ATOM 1703 CG2 THR A 114 15.368 -1.082 -28.540 1.00 0.00 C ATOM 0 H THR A 114 17.671 1.810 -27.524 1.00 0.00 H new ATOM 0 HA THR A 114 14.858 1.729 -27.877 1.00 0.00 H new ATOM 0 HB THR A 114 17.203 -0.150 -28.071 1.00 0.00 H new ATOM 0 HG1 THR A 114 17.230 1.220 -29.771 1.00 0.00 H new ATOM 0 HG21 THR A 114 15.802 -1.763 -29.272 1.00 0.00 H new ATOM 0 HG22 THR A 114 15.325 -1.573 -27.568 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.361 -0.807 -28.852 1.00 0.00 H new ATOM 1711 N VAL A 115 16.036 -0.043 -25.330 1.00 0.00 N ATOM 1712 CA VAL A 115 15.625 -0.758 -24.131 1.00 0.00 C ATOM 1713 C VAL A 115 14.983 0.233 -23.166 1.00 0.00 C ATOM 1714 O VAL A 115 13.946 -0.074 -22.599 1.00 0.00 O ATOM 1715 CB VAL A 115 16.821 -1.555 -23.565 1.00 0.00 C ATOM 1716 CG1 VAL A 115 16.534 -2.187 -22.195 1.00 0.00 C ATOM 1717 CG2 VAL A 115 17.173 -2.694 -24.536 1.00 0.00 C ATOM 0 H VAL A 115 17.045 -0.025 -25.477 1.00 0.00 H new ATOM 0 HA VAL A 115 14.862 -1.508 -24.341 1.00 0.00 H new ATOM 0 HB VAL A 115 17.639 -0.844 -23.447 1.00 0.00 H new ATOM 0 HG11 VAL A 115 17.414 -2.732 -21.854 1.00 0.00 H new ATOM 0 HG12 VAL A 115 16.292 -1.404 -21.477 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.692 -2.874 -22.280 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.017 -3.260 -24.142 1.00 0.00 H new ATOM 0 HG22 VAL A 115 16.313 -3.355 -24.649 1.00 0.00 H new ATOM 0 HG23 VAL A 115 17.439 -2.275 -25.507 1.00 0.00 H new ATOM 1727 N ARG A 116 15.503 1.452 -23.062 1.00 0.00 N ATOM 1728 CA ARG A 116 14.915 2.497 -22.228 1.00 0.00 C ATOM 1729 C ARG A 116 13.458 2.757 -22.649 1.00 0.00 C ATOM 1730 O ARG A 116 12.578 2.755 -21.795 1.00 0.00 O ATOM 1731 CB ARG A 116 15.855 3.721 -22.286 1.00 0.00 C ATOM 1732 CG ARG A 116 15.464 4.851 -21.334 1.00 0.00 C ATOM 1733 CD ARG A 116 16.629 5.807 -21.038 1.00 0.00 C ATOM 1734 NE ARG A 116 17.227 6.494 -22.211 1.00 0.00 N ATOM 1735 CZ ARG A 116 16.722 7.521 -22.914 1.00 0.00 C ATOM 1736 NH1 ARG A 116 15.437 7.854 -22.824 1.00 0.00 N ATOM 1737 NH2 ARG A 116 17.513 8.231 -23.708 1.00 0.00 N ATOM 0 H ARG A 116 16.347 1.745 -23.555 1.00 0.00 H new ATOM 0 HA ARG A 116 14.839 2.205 -21.181 1.00 0.00 H new ATOM 0 HB2 ARG A 116 16.870 3.398 -22.053 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.869 4.107 -23.305 1.00 0.00 H new ATOM 0 HG2 ARG A 116 14.638 5.415 -21.766 1.00 0.00 H new ATOM 0 HG3 ARG A 116 15.103 4.424 -20.398 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.280 6.566 -20.338 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.414 5.244 -20.533 1.00 0.00 H new ATOM 0 HE ARG A 116 18.133 6.143 -22.521 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.815 7.326 -22.212 1.00 0.00 H new ATOM 0 HH12 ARG A 116 15.074 8.638 -23.367 1.00 0.00 H new ATOM 0 HH21 ARG A 116 18.503 7.997 -23.784 1.00 0.00 H new ATOM 0 HH22 ARG A 116 17.131 9.011 -24.243 1.00 0.00 H new ATOM 1751 N GLY A 117 13.177 2.857 -23.949 1.00 0.00 N ATOM 1752 CA GLY A 117 11.810 2.995 -24.460 1.00 0.00 C ATOM 1753 C GLY A 117 10.964 1.746 -24.191 1.00 0.00 C ATOM 1754 O GLY A 117 9.864 1.848 -23.640 1.00 0.00 O ATOM 0 H GLY A 117 13.890 2.845 -24.678 1.00 0.00 H new ATOM 0 HA2 GLY A 117 11.336 3.860 -23.996 1.00 0.00 H new ATOM 0 HA3 GLY A 117 11.842 3.186 -25.533 1.00 0.00 H new ATOM 1758 N GLN A 118 11.481 0.561 -24.538 1.00 0.00 N ATOM 1759 CA GLN A 118 10.761 -0.708 -24.417 1.00 0.00 C ATOM 1760 C GLN A 118 10.347 -0.950 -22.969 1.00 0.00 C ATOM 1761 O GLN A 118 9.196 -1.262 -22.670 1.00 0.00 O ATOM 1762 CB GLN A 118 11.656 -1.869 -24.893 1.00 0.00 C ATOM 1763 CG GLN A 118 11.893 -1.923 -26.412 1.00 0.00 C ATOM 1764 CD GLN A 118 10.691 -2.437 -27.218 1.00 0.00 C ATOM 1765 OE1 GLN A 118 9.655 -2.825 -26.682 1.00 0.00 O ATOM 1766 NE2 GLN A 118 10.801 -2.467 -28.539 1.00 0.00 N ATOM 0 H GLN A 118 12.423 0.458 -24.915 1.00 0.00 H new ATOM 0 HA GLN A 118 9.867 -0.658 -25.039 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.621 -1.794 -24.392 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.205 -2.810 -24.577 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.152 -0.924 -26.764 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.751 -2.564 -26.612 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.659 -2.146 -28.987 1.00 0.00 H new ATOM 0 HE22 GLN A 118 10.027 -2.811 -29.107 1.00 0.00 H new ATOM 1775 N VAL A 119 11.298 -0.787 -22.058 1.00 0.00 N ATOM 1776 CA VAL A 119 11.110 -1.061 -20.642 1.00 0.00 C ATOM 1777 C VAL A 119 10.108 -0.083 -20.045 1.00 0.00 C ATOM 1778 O VAL A 119 9.256 -0.521 -19.275 1.00 0.00 O ATOM 1779 CB VAL A 119 12.468 -1.045 -19.930 1.00 0.00 C ATOM 1780 CG1 VAL A 119 12.316 -1.209 -18.422 1.00 0.00 C ATOM 1781 CG2 VAL A 119 13.325 -2.222 -20.412 1.00 0.00 C ATOM 0 H VAL A 119 12.235 -0.456 -22.287 1.00 0.00 H new ATOM 0 HA VAL A 119 10.688 -2.056 -20.504 1.00 0.00 H new ATOM 0 HB VAL A 119 12.931 -0.085 -20.158 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.300 -1.193 -17.953 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.712 -0.393 -18.026 1.00 0.00 H new ATOM 0 HG13 VAL A 119 11.827 -2.159 -18.207 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.288 -2.204 -19.902 1.00 0.00 H new ATOM 0 HG22 VAL A 119 12.814 -3.159 -20.190 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.483 -2.141 -21.487 1.00 0.00 H new ATOM 1791 N LYS A 120 10.145 1.202 -20.415 1.00 0.00 N ATOM 1792 CA LYS A 120 9.174 2.171 -19.910 1.00 0.00 C ATOM 1793 C LYS A 120 7.768 1.657 -20.187 1.00 0.00 C ATOM 1794 O LYS A 120 6.927 1.653 -19.293 1.00 0.00 O ATOM 1795 CB LYS A 120 9.404 3.514 -20.621 1.00 0.00 C ATOM 1796 CG LYS A 120 8.542 4.648 -20.051 1.00 0.00 C ATOM 1797 CD LYS A 120 8.883 5.979 -20.740 1.00 0.00 C ATOM 1798 CE LYS A 120 7.961 7.134 -20.314 1.00 0.00 C ATOM 1799 NZ LYS A 120 6.618 7.076 -20.961 1.00 0.00 N ATOM 0 H LYS A 120 10.834 1.591 -21.059 1.00 0.00 H new ATOM 0 HA LYS A 120 9.293 2.309 -18.835 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.456 3.787 -20.538 1.00 0.00 H new ATOM 0 HB3 LYS A 120 9.187 3.399 -21.683 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.486 4.418 -20.193 1.00 0.00 H new ATOM 0 HG3 LYS A 120 8.707 4.734 -18.977 1.00 0.00 H new ATOM 0 HD2 LYS A 120 9.916 6.244 -20.513 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.817 5.849 -21.820 1.00 0.00 H new ATOM 0 HE2 LYS A 120 7.838 7.113 -19.231 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.437 8.082 -20.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.084 7.938 -20.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.732 7.005 -21.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.100 6.245 -20.612 1.00 0.00 H new ATOM 1813 N GLU A 121 7.535 1.159 -21.401 1.00 0.00 N ATOM 1814 CA GLU A 121 6.230 0.682 -21.815 1.00 0.00 C ATOM 1815 C GLU A 121 5.821 -0.591 -21.050 1.00 0.00 C ATOM 1816 O GLU A 121 4.689 -0.665 -20.570 1.00 0.00 O ATOM 1817 CB GLU A 121 6.265 0.515 -23.338 1.00 0.00 C ATOM 1818 CG GLU A 121 4.909 0.068 -23.892 1.00 0.00 C ATOM 1819 CD GLU A 121 4.898 0.060 -25.430 1.00 0.00 C ATOM 1820 OE1 GLU A 121 4.595 1.112 -26.040 1.00 0.00 O ATOM 1821 OE2 GLU A 121 5.166 -1.004 -26.043 1.00 0.00 O ATOM 0 H GLU A 121 8.252 1.078 -22.122 1.00 0.00 H new ATOM 0 HA GLU A 121 5.450 1.401 -21.564 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.554 1.459 -23.801 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.027 -0.217 -23.606 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.675 -0.930 -23.521 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.128 0.735 -23.526 1.00 0.00 H new ATOM 1828 N ARG A 122 6.729 -1.562 -20.856 1.00 0.00 N ATOM 1829 CA ARG A 122 6.430 -2.760 -20.046 1.00 0.00 C ATOM 1830 C ARG A 122 6.032 -2.368 -18.619 1.00 0.00 C ATOM 1831 O ARG A 122 5.041 -2.861 -18.087 1.00 0.00 O ATOM 1832 CB ARG A 122 7.635 -3.725 -19.961 1.00 0.00 C ATOM 1833 CG ARG A 122 8.165 -4.324 -21.274 1.00 0.00 C ATOM 1834 CD ARG A 122 7.188 -5.218 -22.041 1.00 0.00 C ATOM 1835 NE ARG A 122 7.909 -5.918 -23.125 1.00 0.00 N ATOM 1836 CZ ARG A 122 7.505 -7.010 -23.790 1.00 0.00 C ATOM 1837 NH1 ARG A 122 6.276 -7.496 -23.626 1.00 0.00 N ATOM 1838 NH2 ARG A 122 8.357 -7.632 -24.596 1.00 0.00 N ATOM 0 H ARG A 122 7.672 -1.544 -21.246 1.00 0.00 H new ATOM 0 HA ARG A 122 5.605 -3.266 -20.546 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.456 -3.194 -19.479 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.359 -4.549 -19.304 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.469 -3.506 -21.927 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.060 -4.904 -21.051 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.734 -5.942 -21.365 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.378 -4.618 -22.456 1.00 0.00 H new ATOM 0 HE ARG A 122 8.812 -5.528 -23.397 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.627 -7.037 -22.987 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.984 -8.328 -24.139 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.308 -7.278 -24.704 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.061 -8.464 -25.107 1.00 0.00 H new ATOM 1852 N VAL A 123 6.804 -1.482 -17.995 1.00 0.00 N ATOM 1853 CA VAL A 123 6.581 -1.083 -16.610 1.00 0.00 C ATOM 1854 C VAL A 123 5.288 -0.253 -16.523 1.00 0.00 C ATOM 1855 O VAL A 123 4.525 -0.446 -15.577 1.00 0.00 O ATOM 1856 CB VAL A 123 7.838 -0.380 -16.084 1.00 0.00 C ATOM 1857 CG1 VAL A 123 7.672 0.086 -14.638 1.00 0.00 C ATOM 1858 CG2 VAL A 123 9.090 -1.277 -16.109 1.00 0.00 C ATOM 0 H VAL A 123 7.601 -1.022 -18.435 1.00 0.00 H new ATOM 0 HA VAL A 123 6.424 -1.942 -15.958 1.00 0.00 H new ATOM 0 HB VAL A 123 7.971 0.466 -16.759 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.586 0.578 -14.307 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.839 0.787 -14.575 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.472 -0.774 -13.999 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.944 -0.720 -15.724 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.920 -2.156 -15.487 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.293 -1.590 -17.133 1.00 0.00 H new ATOM 1868 N GLU A 124 4.975 0.607 -17.501 1.00 0.00 N ATOM 1869 CA GLU A 124 3.692 1.307 -17.530 1.00 0.00 C ATOM 1870 C GLU A 124 2.548 0.300 -17.568 1.00 0.00 C ATOM 1871 O GLU A 124 1.590 0.443 -16.816 1.00 0.00 O ATOM 1872 CB GLU A 124 3.566 2.260 -18.734 1.00 0.00 C ATOM 1873 CG GLU A 124 4.239 3.618 -18.511 1.00 0.00 C ATOM 1874 CD GLU A 124 3.927 4.618 -19.640 1.00 0.00 C ATOM 1875 OE1 GLU A 124 2.752 5.041 -19.776 1.00 0.00 O ATOM 1876 OE2 GLU A 124 4.862 5.025 -20.369 1.00 0.00 O ATOM 0 H GLU A 124 5.594 0.832 -18.280 1.00 0.00 H new ATOM 0 HA GLU A 124 3.639 1.908 -16.622 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.006 1.785 -19.611 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.510 2.418 -18.953 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.908 4.033 -17.559 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.318 3.479 -18.440 1.00 0.00 H new ATOM 1883 N ASN A 125 2.663 -0.735 -18.399 1.00 0.00 N ATOM 1884 CA ASN A 125 1.632 -1.754 -18.532 1.00 0.00 C ATOM 1885 C ASN A 125 1.427 -2.499 -17.212 1.00 0.00 C ATOM 1886 O ASN A 125 0.290 -2.667 -16.782 1.00 0.00 O ATOM 1887 CB ASN A 125 1.978 -2.730 -19.664 1.00 0.00 C ATOM 1888 CG ASN A 125 0.899 -3.798 -19.793 1.00 0.00 C ATOM 1889 OD1 ASN A 125 1.031 -4.896 -19.259 1.00 0.00 O ATOM 1890 ND2 ASN A 125 -0.191 -3.503 -20.487 1.00 0.00 N ATOM 0 H ASN A 125 3.475 -0.887 -18.997 1.00 0.00 H new ATOM 0 HA ASN A 125 0.695 -1.258 -18.786 1.00 0.00 H new ATOM 0 HB2 ASN A 125 2.075 -2.187 -20.604 1.00 0.00 H new ATOM 0 HB3 ASN A 125 2.942 -3.200 -19.466 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.936 -4.193 -20.584 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.285 -2.586 -20.924 1.00 0.00 H new ATOM 1897 N LEU A 126 2.511 -2.880 -16.530 1.00 0.00 N ATOM 1898 CA LEU A 126 2.471 -3.534 -15.232 1.00 0.00 C ATOM 1899 C LEU A 126 1.735 -2.671 -14.208 1.00 0.00 C ATOM 1900 O LEU A 126 0.867 -3.166 -13.497 1.00 0.00 O ATOM 1901 CB LEU A 126 3.923 -3.780 -14.788 1.00 0.00 C ATOM 1902 CG LEU A 126 4.067 -4.229 -13.326 1.00 0.00 C ATOM 1903 CD1 LEU A 126 3.397 -5.586 -13.096 1.00 0.00 C ATOM 1904 CD2 LEU A 126 5.540 -4.281 -12.930 1.00 0.00 C ATOM 0 H LEU A 126 3.459 -2.736 -16.878 1.00 0.00 H new ATOM 0 HA LEU A 126 1.930 -4.478 -15.305 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.365 -4.538 -15.434 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.496 -2.864 -14.933 1.00 0.00 H new ATOM 0 HG LEU A 126 3.562 -3.498 -12.695 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.515 -5.878 -12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.336 -5.513 -13.334 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.862 -6.335 -13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.627 -4.601 -11.892 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.065 -4.988 -13.572 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.982 -3.291 -13.043 1.00 0.00 H new ATOM 1916 N ILE A 127 2.081 -1.389 -14.126 1.00 0.00 N ATOM 1917 CA ILE A 127 1.484 -0.467 -13.172 1.00 0.00 C ATOM 1918 C ILE A 127 0.009 -0.309 -13.539 1.00 0.00 C ATOM 1919 O ILE A 127 -0.841 -0.417 -12.665 1.00 0.00 O ATOM 1920 CB ILE A 127 2.289 0.843 -13.238 1.00 0.00 C ATOM 1921 CG1 ILE A 127 3.656 0.591 -12.571 1.00 0.00 C ATOM 1922 CG2 ILE A 127 1.565 2.006 -12.544 1.00 0.00 C ATOM 1923 CD1 ILE A 127 4.680 1.663 -12.899 1.00 0.00 C ATOM 0 H ILE A 127 2.788 -0.961 -14.724 1.00 0.00 H new ATOM 0 HA ILE A 127 1.519 -0.819 -12.141 1.00 0.00 H new ATOM 0 HB ILE A 127 2.410 1.133 -14.282 1.00 0.00 H new ATOM 0 HG12 ILE A 127 3.524 0.541 -11.490 1.00 0.00 H new ATOM 0 HG13 ILE A 127 4.037 -0.379 -12.891 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.172 2.908 -12.617 1.00 0.00 H new ATOM 0 HG22 ILE A 127 0.603 2.176 -13.027 1.00 0.00 H new ATOM 0 HG23 ILE A 127 1.405 1.760 -11.494 1.00 0.00 H new ATOM 0 HD11 ILE A 127 5.622 1.431 -12.401 1.00 0.00 H new ATOM 0 HD12 ILE A 127 4.838 1.697 -13.977 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.316 2.631 -12.555 1.00 0.00 H new ATOM 1935 N ALA A 128 -0.306 -0.128 -14.823 1.00 0.00 N ATOM 1936 CA ALA A 128 -1.678 -0.027 -15.296 1.00 0.00 C ATOM 1937 C ALA A 128 -2.500 -1.287 -14.965 1.00 0.00 C ATOM 1938 O ALA A 128 -3.714 -1.174 -14.780 1.00 0.00 O ATOM 1939 CB ALA A 128 -1.678 0.254 -16.802 1.00 0.00 C ATOM 0 H ALA A 128 0.391 -0.048 -15.564 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.159 0.801 -14.775 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.705 0.330 -17.158 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.156 1.191 -16.997 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.172 -0.559 -17.324 1.00 0.00 H new ATOM 1945 N LYS A 129 -1.872 -2.471 -14.873 1.00 0.00 N ATOM 1946 CA LYS A 129 -2.548 -3.676 -14.406 1.00 0.00 C ATOM 1947 C LYS A 129 -2.850 -3.578 -12.916 1.00 0.00 C ATOM 1948 O LYS A 129 -4.011 -3.716 -12.523 1.00 0.00 O ATOM 1949 CB LYS A 129 -1.745 -4.962 -14.687 1.00 0.00 C ATOM 1950 CG LYS A 129 -1.728 -5.404 -16.157 1.00 0.00 C ATOM 1951 CD LYS A 129 -0.935 -6.713 -16.299 1.00 0.00 C ATOM 1952 CE LYS A 129 -0.942 -7.193 -17.758 1.00 0.00 C ATOM 1953 NZ LYS A 129 -0.331 -8.538 -17.918 1.00 0.00 N ATOM 0 H LYS A 129 -0.892 -2.611 -15.119 1.00 0.00 H new ATOM 0 HA LYS A 129 -3.479 -3.743 -14.969 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -0.717 -4.811 -14.356 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -2.159 -5.770 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -2.748 -5.545 -16.515 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -1.278 -4.627 -16.775 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.091 -6.561 -15.965 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -1.369 -7.479 -15.656 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.968 -7.218 -18.124 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.401 -6.476 -18.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -0.221 -8.751 -18.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 0.601 -8.553 -17.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.945 -9.253 -17.478 1.00 0.00 H new ATOM 1967 N ILE A 130 -1.822 -3.373 -12.090 1.00 0.00 N ATOM 1968 CA ILE A 130 -1.955 -3.507 -10.650 1.00 0.00 C ATOM 1969 C ILE A 130 -2.564 -2.306 -9.927 1.00 0.00 C ATOM 1970 O ILE A 130 -3.371 -2.497 -9.012 1.00 0.00 O ATOM 1971 CB ILE A 130 -0.632 -3.989 -10.025 1.00 0.00 C ATOM 1972 CG1 ILE A 130 0.487 -2.926 -10.054 1.00 0.00 C ATOM 1973 CG2 ILE A 130 -0.198 -5.314 -10.678 1.00 0.00 C ATOM 1974 CD1 ILE A 130 1.855 -3.444 -9.599 1.00 0.00 C ATOM 0 H ILE A 130 -0.887 -3.113 -12.402 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.709 -4.279 -10.496 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.817 -4.165 -8.965 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.577 -2.537 -11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.196 -2.091 -9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.738 -5.650 -10.232 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.968 -6.068 -10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.056 -5.163 -11.748 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.585 -2.636 -9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.784 -3.806 -8.573 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.171 -4.259 -10.251 1.00 0.00 H new ATOM 1986 N SER A 131 -2.163 -1.092 -10.285 1.00 0.00 N ATOM 1987 CA SER A 131 -2.475 0.128 -9.573 1.00 0.00 C ATOM 1988 C SER A 131 -3.823 0.684 -10.034 1.00 0.00 C ATOM 1989 O SER A 131 -4.683 0.938 -9.161 1.00 0.00 O ATOM 1990 CB SER A 131 -1.326 1.119 -9.744 1.00 0.00 C ATOM 1991 OG SER A 131 -0.122 0.537 -9.248 1.00 0.00 O ATOM 1992 OXT SER A 131 -4.031 0.863 -11.258 1.00 0.00 O ATOM 0 H SER A 131 -1.589 -0.931 -11.113 1.00 0.00 H new ATOM 0 HA SER A 131 -2.577 -0.071 -8.506 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.210 1.381 -10.796 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.545 2.042 -9.208 1.00 0.00 H new ATOM 0 HG SER A 131 0.617 1.171 -9.358 1.00 0.00 H new