USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 699 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 16 THR OG1 : rot -9:sc= -1.29! USER MOD Set 1.2: A 31 MET CE :methyl 178:sc= -1.4 (180deg=-1.41) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0704 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 0.146 (180deg=0.132) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0565 K(o=-0.056,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.006) USER MOD Single : A 39 SER OG : rot 180:sc= -0.323! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.09 F(o=-1.9!,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.284 K(o=-0.28,f=-2.2!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -118:sc= 1.11 USER MOD Single : A 67 THR OG1 : rot 170:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0.173 K(o=0.17,f=-1.3) USER MOD Single : A 75 MET CE :methyl -124:sc= -4.63! (180deg=-9.58!) USER MOD Single : A 78 LYS NZ :NH3+ -104:sc= -0.389 (180deg=-1.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.681 -18.342 7.422 1.00 0.00 N ATOM 2 CA MET A 1 1.091 -18.367 6.095 1.00 0.00 C ATOM 3 C MET A 1 -0.011 -17.313 5.964 1.00 0.00 C ATOM 4 O MET A 1 -0.445 -16.738 6.961 1.00 0.00 O ATOM 5 CB MET A 1 0.507 -19.754 5.822 1.00 0.00 C ATOM 6 CG MET A 1 1.555 -20.678 5.199 1.00 0.00 C ATOM 7 SD MET A 1 0.829 -22.268 4.836 1.00 0.00 S ATOM 8 CE MET A 1 2.082 -22.941 3.757 1.00 0.00 C ATOM 0 H1 MET A 1 1.936 -19.309 7.707 1.00 0.00 H new ATOM 0 H2 MET A 1 2.534 -17.748 7.411 1.00 0.00 H new ATOM 0 H3 MET A 1 0.995 -17.951 8.099 1.00 0.00 H new ATOM 0 HA MET A 1 1.871 -18.142 5.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.142 -20.188 6.753 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.349 -19.667 5.153 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.948 -20.232 4.286 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.396 -20.800 5.882 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.786 -23.939 3.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.196 -22.297 2.885 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.030 -22.999 4.292 1.00 0.00 H new ATOM 18 N MET A 2 -0.431 -17.093 4.727 1.00 0.00 N ATOM 19 CA MET A 2 -1.474 -16.119 4.453 1.00 0.00 C ATOM 20 C MET A 2 -2.073 -16.334 3.062 1.00 0.00 C ATOM 21 O MET A 2 -1.435 -16.924 2.192 1.00 0.00 O ATOM 22 CB MET A 2 -0.891 -14.707 4.546 1.00 0.00 C ATOM 23 CG MET A 2 0.140 -14.466 3.442 1.00 0.00 C ATOM 24 SD MET A 2 1.712 -14.021 4.161 1.00 0.00 S ATOM 25 CE MET A 2 2.793 -15.101 3.238 1.00 0.00 C ATOM 0 H MET A 2 -0.068 -17.572 3.903 1.00 0.00 H new ATOM 0 HA MET A 2 -2.266 -16.244 5.192 1.00 0.00 H new ATOM 0 HB2 MET A 2 -1.693 -13.973 4.466 1.00 0.00 H new ATOM 0 HB3 MET A 2 -0.425 -14.566 5.521 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.250 -15.364 2.834 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.204 -13.672 2.779 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.822 -14.951 3.564 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.505 -16.138 3.411 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.713 -14.874 2.175 1.00 0.00 H new ATOM 35 N VAL A 3 -3.293 -15.844 2.897 1.00 0.00 N ATOM 36 CA VAL A 3 -3.986 -15.976 1.626 1.00 0.00 C ATOM 37 C VAL A 3 -3.550 -14.845 0.693 1.00 0.00 C ATOM 38 O VAL A 3 -3.097 -13.797 1.151 1.00 0.00 O ATOM 39 CB VAL A 3 -5.498 -16.011 1.856 1.00 0.00 C ATOM 40 CG1 VAL A 3 -6.236 -16.443 0.588 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.853 -16.920 3.034 1.00 0.00 C ATOM 0 H VAL A 3 -3.819 -15.355 3.621 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.722 -16.917 1.143 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.822 -15.000 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.309 -16.459 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.021 -15.739 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.904 -17.439 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.934 -16.927 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.508 -17.933 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.371 -16.549 3.938 1.00 0.00 H new ATOM 51 N PHE A 4 -3.701 -15.095 -0.599 1.00 0.00 N ATOM 52 CA PHE A 4 -3.327 -14.111 -1.601 1.00 0.00 C ATOM 53 C PHE A 4 -3.269 -14.742 -2.994 1.00 0.00 C ATOM 54 O PHE A 4 -2.238 -15.282 -3.391 1.00 0.00 O ATOM 55 CB PHE A 4 -1.935 -13.598 -1.227 1.00 0.00 C ATOM 56 CG PHE A 4 -1.103 -13.130 -2.423 1.00 0.00 C ATOM 57 CD1 PHE A 4 -1.715 -12.565 -3.498 1.00 0.00 C ATOM 58 CD2 PHE A 4 0.249 -13.279 -2.410 1.00 0.00 C ATOM 59 CE1 PHE A 4 -0.942 -12.131 -4.608 1.00 0.00 C ATOM 60 CE2 PHE A 4 1.021 -12.845 -3.520 1.00 0.00 C ATOM 61 CZ PHE A 4 0.410 -12.281 -4.595 1.00 0.00 C ATOM 0 H PHE A 4 -4.077 -15.965 -0.976 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.063 -13.307 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.040 -12.771 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.394 -14.390 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.788 -12.446 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.735 -13.727 -1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.428 -11.682 -5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.094 -12.963 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.998 -11.952 -5.439 1.00 0.00 H new ATOM 71 N ASP A 5 -4.388 -14.651 -3.697 1.00 0.00 N ATOM 72 CA ASP A 5 -4.476 -15.206 -5.037 1.00 0.00 C ATOM 73 C ASP A 5 -4.974 -14.126 -6.000 1.00 0.00 C ATOM 74 O ASP A 5 -4.964 -12.942 -5.668 1.00 0.00 O ATOM 75 CB ASP A 5 -5.464 -16.374 -5.085 1.00 0.00 C ATOM 76 CG ASP A 5 -5.423 -17.306 -3.873 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.348 -17.757 -3.450 1.00 0.00 O ATOM 78 OD2 ASP A 5 -6.572 -17.570 -3.349 1.00 0.00 O ATOM 0 H ASP A 5 -5.241 -14.202 -3.364 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.485 -15.559 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.473 -15.973 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.267 -16.961 -5.982 1.00 0.00 H new ATOM 84 N ASP A 6 -5.397 -14.574 -7.173 1.00 0.00 N ATOM 85 CA ASP A 6 -5.897 -13.660 -8.186 1.00 0.00 C ATOM 86 C ASP A 6 -6.843 -12.650 -7.533 1.00 0.00 C ATOM 87 O ASP A 6 -6.930 -11.504 -7.971 1.00 0.00 O ATOM 88 CB ASP A 6 -6.679 -14.410 -9.266 1.00 0.00 C ATOM 89 CG ASP A 6 -7.469 -13.521 -10.228 1.00 0.00 C ATOM 90 OD1 ASP A 6 -6.975 -12.481 -10.688 1.00 0.00 O ATOM 91 OD2 ASP A 6 -8.657 -13.939 -10.506 1.00 0.00 O ATOM 0 H ASP A 6 -5.404 -15.557 -7.444 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.042 -13.160 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.981 -15.015 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.371 -15.098 -8.780 1.00 0.00 H new ATOM 97 N ILE A 7 -7.528 -13.112 -6.498 1.00 0.00 N ATOM 98 CA ILE A 7 -8.464 -12.263 -5.780 1.00 0.00 C ATOM 99 C ILE A 7 -7.694 -11.147 -5.073 1.00 0.00 C ATOM 100 O ILE A 7 -7.940 -9.967 -5.318 1.00 0.00 O ATOM 101 CB ILE A 7 -9.335 -13.100 -4.841 1.00 0.00 C ATOM 102 CG1 ILE A 7 -10.019 -14.241 -5.599 1.00 0.00 C ATOM 103 CG2 ILE A 7 -10.343 -12.221 -4.099 1.00 0.00 C ATOM 104 CD1 ILE A 7 -9.618 -15.600 -5.021 1.00 0.00 C ATOM 0 H ILE A 7 -7.454 -14.064 -6.139 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.154 -11.784 -6.475 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.689 -13.554 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.101 -14.123 -5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.748 -14.196 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.949 -12.841 -3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.810 -11.475 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.989 -11.720 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.117 -16.394 -5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.538 -15.725 -5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.912 -15.651 -3.973 1.00 0.00 H new ATOM 116 N ALA A 8 -6.778 -11.558 -4.209 1.00 0.00 N ATOM 117 CA ALA A 8 -5.970 -10.607 -3.464 1.00 0.00 C ATOM 118 C ALA A 8 -5.510 -9.491 -4.403 1.00 0.00 C ATOM 119 O ALA A 8 -5.469 -8.325 -4.013 1.00 0.00 O ATOM 120 CB ALA A 8 -4.797 -11.338 -2.807 1.00 0.00 C ATOM 0 H ALA A 8 -6.577 -12.538 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.554 -10.147 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.191 -10.625 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.178 -12.101 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.185 -11.810 -3.576 1.00 0.00 H new ATOM 126 N LYS A 9 -5.174 -9.887 -5.622 1.00 0.00 N ATOM 127 CA LYS A 9 -4.718 -8.933 -6.620 1.00 0.00 C ATOM 128 C LYS A 9 -5.768 -7.833 -6.785 1.00 0.00 C ATOM 129 O LYS A 9 -5.478 -6.656 -6.574 1.00 0.00 O ATOM 130 CB LYS A 9 -4.368 -9.650 -7.925 1.00 0.00 C ATOM 131 CG LYS A 9 -3.162 -8.998 -8.603 1.00 0.00 C ATOM 132 CD LYS A 9 -2.188 -10.056 -9.126 1.00 0.00 C ATOM 133 CE LYS A 9 -1.188 -10.464 -8.043 1.00 0.00 C ATOM 134 NZ LYS A 9 0.200 -10.259 -8.514 1.00 0.00 N ATOM 0 H LYS A 9 -5.208 -10.855 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.798 -8.449 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.152 -10.699 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.225 -9.626 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.499 -8.370 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.651 -8.346 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.743 -10.932 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.653 -9.666 -9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.362 -9.879 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.337 -11.511 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.865 -10.635 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.337 -10.755 -9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.375 -9.243 -8.648 1.00 0.00 H new ATOM 147 N ARG A 10 -6.967 -8.254 -7.160 1.00 0.00 N ATOM 148 CA ARG A 10 -8.062 -7.319 -7.356 1.00 0.00 C ATOM 149 C ARG A 10 -8.365 -6.577 -6.053 1.00 0.00 C ATOM 150 O ARG A 10 -8.636 -5.377 -6.066 1.00 0.00 O ATOM 151 CB ARG A 10 -9.325 -8.041 -7.830 1.00 0.00 C ATOM 152 CG ARG A 10 -9.682 -7.638 -9.262 1.00 0.00 C ATOM 153 CD ARG A 10 -10.862 -8.460 -9.785 1.00 0.00 C ATOM 154 NE ARG A 10 -11.076 -8.182 -11.222 1.00 0.00 N ATOM 155 CZ ARG A 10 -12.211 -8.478 -11.890 1.00 0.00 C ATOM 156 NH1 ARG A 10 -13.247 -9.065 -11.254 1.00 0.00 N ATOM 157 NH2 ARG A 10 -12.293 -8.184 -13.174 1.00 0.00 N ATOM 0 H ARG A 10 -7.204 -9.231 -7.333 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.757 -6.606 -8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.173 -9.119 -7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.155 -7.805 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.931 -6.577 -9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.818 -7.782 -9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.670 -9.523 -9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.763 -8.217 -9.221 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.318 -7.739 -11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.176 -9.288 -10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.101 -9.285 -11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.506 -7.740 -13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.144 -8.401 -13.694 1.00 0.00 H new ATOM 170 N LYS A 11 -8.310 -7.322 -4.958 1.00 0.00 N ATOM 171 CA LYS A 11 -8.576 -6.749 -3.650 1.00 0.00 C ATOM 172 C LYS A 11 -7.674 -5.531 -3.438 1.00 0.00 C ATOM 173 O LYS A 11 -8.163 -4.422 -3.224 1.00 0.00 O ATOM 174 CB LYS A 11 -8.435 -7.814 -2.560 1.00 0.00 C ATOM 175 CG LYS A 11 -9.602 -7.746 -1.573 1.00 0.00 C ATOM 176 CD LYS A 11 -9.236 -8.412 -0.245 1.00 0.00 C ATOM 177 CE LYS A 11 -10.437 -9.156 0.344 1.00 0.00 C ATOM 178 NZ LYS A 11 -9.986 -10.327 1.130 1.00 0.00 N ATOM 0 H LYS A 11 -8.085 -8.317 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.606 -6.398 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.397 -8.803 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.495 -7.672 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.876 -6.705 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.475 -8.238 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.412 -9.108 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.889 -7.658 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.013 -8.484 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.100 -9.482 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.813 -10.821 1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.456 -10.976 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.372 -10.008 1.907 1.00 0.00 H new ATOM 191 N ILE A 12 -6.374 -5.777 -3.506 1.00 0.00 N ATOM 192 CA ILE A 12 -5.401 -4.714 -3.325 1.00 0.00 C ATOM 193 C ILE A 12 -5.908 -3.442 -4.007 1.00 0.00 C ATOM 194 O ILE A 12 -5.845 -2.357 -3.430 1.00 0.00 O ATOM 195 CB ILE A 12 -4.021 -5.163 -3.810 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.948 -4.869 -2.759 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.685 -4.536 -5.164 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.312 -3.497 -2.995 1.00 0.00 C ATOM 0 H ILE A 12 -5.972 -6.697 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.282 -4.483 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.044 -6.243 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.390 -4.903 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.179 -5.641 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.699 -4.872 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.430 -4.839 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.687 -3.450 -5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.553 -3.312 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.850 -3.475 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.080 -2.725 -2.936 1.00 0.00 H new ATOM 210 N ARG A 13 -6.399 -3.617 -5.224 1.00 0.00 N ATOM 211 CA ARG A 13 -6.917 -2.497 -5.991 1.00 0.00 C ATOM 212 C ARG A 13 -8.293 -2.083 -5.463 1.00 0.00 C ATOM 213 O ARG A 13 -8.481 -0.945 -5.036 1.00 0.00 O ATOM 214 CB ARG A 13 -7.034 -2.851 -7.475 1.00 0.00 C ATOM 215 CG ARG A 13 -6.031 -2.052 -8.310 1.00 0.00 C ATOM 216 CD ARG A 13 -6.214 -2.332 -9.803 1.00 0.00 C ATOM 217 NE ARG A 13 -7.008 -1.250 -10.427 1.00 0.00 N ATOM 218 CZ ARG A 13 -7.656 -1.370 -11.605 1.00 0.00 C ATOM 219 NH1 ARG A 13 -7.610 -2.528 -12.298 1.00 0.00 N ATOM 220 NH2 ARG A 13 -8.335 -0.338 -12.070 1.00 0.00 N ATOM 0 H ARG A 13 -6.449 -4.518 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.217 -1.669 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.859 -3.918 -7.613 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.047 -2.646 -7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.159 -0.987 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.015 -2.310 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.241 -2.407 -10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.715 -3.290 -9.943 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.069 -0.358 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.083 -3.321 -11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.103 -2.610 -13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.364 0.533 -11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.830 -0.412 -12.959 1.00 0.00 H new ATOM 233 N PHE A 14 -9.218 -3.030 -5.510 1.00 0.00 N ATOM 234 CA PHE A 14 -10.571 -2.778 -5.041 1.00 0.00 C ATOM 235 C PHE A 14 -10.560 -1.963 -3.747 1.00 0.00 C ATOM 236 O PHE A 14 -11.510 -1.237 -3.457 1.00 0.00 O ATOM 237 CB PHE A 14 -11.210 -4.140 -4.767 1.00 0.00 C ATOM 238 CG PHE A 14 -12.659 -4.256 -5.245 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.677 -3.875 -4.428 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.928 -4.738 -6.488 1.00 0.00 C ATOM 241 CE1 PHE A 14 -15.022 -3.982 -4.871 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.273 -4.845 -6.932 1.00 0.00 C ATOM 243 CZ PHE A 14 -15.291 -4.465 -6.114 1.00 0.00 C ATOM 0 H PHE A 14 -9.058 -3.973 -5.865 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.125 -2.212 -5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.615 -4.913 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.175 -4.337 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.463 -3.491 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.119 -5.039 -7.137 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.831 -3.680 -4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.487 -5.228 -7.919 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.314 -4.547 -6.451 1.00 0.00 H new ATOM 253 N GLN A 15 -9.474 -2.110 -3.002 1.00 0.00 N ATOM 254 CA GLN A 15 -9.326 -1.396 -1.744 1.00 0.00 C ATOM 255 C GLN A 15 -8.834 0.030 -1.998 1.00 0.00 C ATOM 256 O GLN A 15 -9.489 0.995 -1.606 1.00 0.00 O ATOM 257 CB GLN A 15 -8.383 -2.142 -0.798 1.00 0.00 C ATOM 258 CG GLN A 15 -9.164 -2.839 0.318 1.00 0.00 C ATOM 259 CD GLN A 15 -9.254 -1.952 1.561 1.00 0.00 C ATOM 260 OE1 GLN A 15 -9.019 -0.755 1.520 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.607 -2.603 2.666 1.00 0.00 N ATOM 0 H GLN A 15 -8.688 -2.713 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.302 -1.342 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.808 -2.879 -1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.669 -1.442 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.167 -3.083 -0.033 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.678 -3.781 0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.789 -3.606 2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.695 -2.099 3.549 1.00 0.00 H new ATOM 270 N THR A 16 -7.686 0.118 -2.652 1.00 0.00 N ATOM 271 CA THR A 16 -7.098 1.410 -2.962 1.00 0.00 C ATOM 272 C THR A 16 -8.164 2.363 -3.509 1.00 0.00 C ATOM 273 O THR A 16 -8.659 3.226 -2.786 1.00 0.00 O ATOM 274 CB THR A 16 -5.935 1.181 -3.930 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.461 0.277 -4.898 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.782 0.408 -3.286 1.00 0.00 C ATOM 0 H THR A 16 -7.147 -0.685 -2.976 1.00 0.00 H new ATOM 0 HA THR A 16 -6.705 1.890 -2.066 1.00 0.00 H new ATOM 0 HB THR A 16 -5.570 2.142 -4.293 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.336 -0.049 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.983 0.272 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.402 0.967 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.139 -0.567 -2.953 1.00 0.00 H new ATOM 284 N ARG A 17 -8.485 2.174 -4.780 1.00 0.00 N ATOM 285 CA ARG A 17 -9.483 3.006 -5.431 1.00 0.00 C ATOM 286 C ARG A 17 -10.602 3.359 -4.450 1.00 0.00 C ATOM 287 O ARG A 17 -11.228 2.473 -3.871 1.00 0.00 O ATOM 288 CB ARG A 17 -10.084 2.295 -6.646 1.00 0.00 C ATOM 289 CG ARG A 17 -10.603 0.906 -6.267 1.00 0.00 C ATOM 290 CD ARG A 17 -12.102 0.785 -6.547 1.00 0.00 C ATOM 291 NE ARG A 17 -12.870 1.028 -5.306 1.00 0.00 N ATOM 292 CZ ARG A 17 -14.215 1.143 -5.258 1.00 0.00 C ATOM 293 NH1 ARG A 17 -14.952 1.038 -6.384 1.00 0.00 N ATOM 294 NH2 ARG A 17 -14.797 1.359 -4.094 1.00 0.00 N ATOM 0 H ARG A 17 -8.072 1.457 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.988 3.918 -5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.899 2.892 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.331 2.205 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.062 0.146 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.410 0.718 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.396 1.503 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.329 -0.208 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.351 1.114 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.494 0.871 -7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.967 1.126 -6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.232 1.437 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.812 1.448 -4.040 1.00 0.00 H new ATOM 307 N ARG A 18 -10.819 4.657 -4.292 1.00 0.00 N ATOM 308 CA ARG A 18 -11.851 5.139 -3.391 1.00 0.00 C ATOM 309 C ARG A 18 -12.395 6.484 -3.877 1.00 0.00 C ATOM 310 O ARG A 18 -12.358 6.777 -5.071 1.00 0.00 O ATOM 311 CB ARG A 18 -11.310 5.300 -1.969 1.00 0.00 C ATOM 312 CG ARG A 18 -12.310 4.773 -0.938 1.00 0.00 C ATOM 313 CD ARG A 18 -11.839 5.073 0.486 1.00 0.00 C ATOM 314 NE ARG A 18 -12.853 4.613 1.462 1.00 0.00 N ATOM 315 CZ ARG A 18 -12.916 3.357 1.952 1.00 0.00 C ATOM 316 NH1 ARG A 18 -12.024 2.423 1.561 1.00 0.00 N ATOM 317 NH2 ARG A 18 -13.865 3.056 2.820 1.00 0.00 N ATOM 0 H ARG A 18 -10.297 5.389 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.653 4.401 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.366 4.763 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.100 6.352 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.285 5.230 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.435 3.698 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.888 4.576 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.668 6.143 0.604 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.547 5.287 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.295 2.664 0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.079 1.476 1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.536 3.768 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.927 2.112 3.200 1.00 0.00 H new ATOM 330 N GLY A 19 -12.888 7.265 -2.927 1.00 0.00 N ATOM 331 CA GLY A 19 -13.439 8.572 -3.244 1.00 0.00 C ATOM 332 C GLY A 19 -12.367 9.491 -3.833 1.00 0.00 C ATOM 333 O GLY A 19 -12.637 10.249 -4.764 1.00 0.00 O ATOM 0 H GLY A 19 -12.917 7.018 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.259 8.462 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.855 9.023 -2.343 1.00 0.00 H new ATOM 337 N LEU A 20 -11.173 9.393 -3.267 1.00 0.00 N ATOM 338 CA LEU A 20 -10.059 10.206 -3.725 1.00 0.00 C ATOM 339 C LEU A 20 -9.664 9.773 -5.138 1.00 0.00 C ATOM 340 O LEU A 20 -9.133 8.680 -5.331 1.00 0.00 O ATOM 341 CB LEU A 20 -8.906 10.150 -2.720 1.00 0.00 C ATOM 342 CG LEU A 20 -9.147 10.854 -1.383 1.00 0.00 C ATOM 343 CD1 LEU A 20 -8.879 12.356 -1.499 1.00 0.00 C ATOM 344 CD2 LEU A 20 -10.553 10.562 -0.855 1.00 0.00 C ATOM 0 H LEU A 20 -10.953 8.763 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.351 11.255 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.675 9.104 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.023 10.589 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.441 10.456 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.058 12.833 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.844 12.519 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.545 12.788 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.698 11.074 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.292 10.915 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.672 9.488 -0.711 1.00 0.00 H new ATOM 356 N LEU A 21 -9.938 10.652 -6.091 1.00 0.00 N ATOM 357 CA LEU A 21 -9.618 10.375 -7.480 1.00 0.00 C ATOM 358 C LEU A 21 -8.099 10.292 -7.643 1.00 0.00 C ATOM 359 O LEU A 21 -7.567 9.249 -8.019 1.00 0.00 O ATOM 360 CB LEU A 21 -10.280 11.404 -8.399 1.00 0.00 C ATOM 361 CG LEU A 21 -9.709 11.505 -9.814 1.00 0.00 C ATOM 362 CD1 LEU A 21 -10.001 10.235 -10.615 1.00 0.00 C ATOM 363 CD2 LEU A 21 -10.220 12.760 -10.524 1.00 0.00 C ATOM 0 H LEU A 21 -10.379 11.557 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.024 9.408 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.341 11.166 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.205 12.384 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.625 11.597 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.584 10.333 -11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.548 9.378 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.079 10.088 -10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.798 12.807 -11.528 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.308 12.724 -10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.919 13.644 -9.962 1.00 0.00 H new ATOM 375 N GLU A 22 -7.443 11.406 -7.352 1.00 0.00 N ATOM 376 CA GLU A 22 -5.996 11.473 -7.461 1.00 0.00 C ATOM 377 C GLU A 22 -5.359 10.225 -6.846 1.00 0.00 C ATOM 378 O GLU A 22 -4.488 9.605 -7.453 1.00 0.00 O ATOM 379 CB GLU A 22 -5.455 12.745 -6.805 1.00 0.00 C ATOM 380 CG GLU A 22 -4.338 13.364 -7.647 1.00 0.00 C ATOM 381 CD GLU A 22 -4.910 14.307 -8.708 1.00 0.00 C ATOM 382 OE1 GLU A 22 -4.620 15.513 -8.687 1.00 0.00 O ATOM 383 OE2 GLU A 22 -5.681 13.746 -9.577 1.00 0.00 O ATOM 0 H GLU A 22 -7.888 12.270 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.732 11.508 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.263 13.466 -6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.078 12.513 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.651 13.911 -7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.761 12.575 -8.129 1.00 0.00 H new ATOM 391 N LEU A 23 -5.819 9.894 -5.648 1.00 0.00 N ATOM 392 CA LEU A 23 -5.305 8.732 -4.944 1.00 0.00 C ATOM 393 C LEU A 23 -5.377 7.511 -5.864 1.00 0.00 C ATOM 394 O LEU A 23 -4.507 6.643 -5.819 1.00 0.00 O ATOM 395 CB LEU A 23 -6.037 8.544 -3.614 1.00 0.00 C ATOM 396 CG LEU A 23 -5.242 7.856 -2.502 1.00 0.00 C ATOM 397 CD1 LEU A 23 -3.777 8.297 -2.522 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.893 8.090 -1.137 1.00 0.00 C ATOM 0 H LEU A 23 -6.542 10.411 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.256 8.876 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.353 9.523 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.942 7.965 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.257 6.782 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.234 7.793 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.332 8.037 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.720 9.376 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.308 7.590 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.929 9.160 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.906 7.687 -1.143 1.00 0.00 H new ATOM 410 N ASP A 24 -6.423 7.483 -6.677 1.00 0.00 N ATOM 411 CA ASP A 24 -6.620 6.384 -7.605 1.00 0.00 C ATOM 412 C ASP A 24 -5.478 6.370 -8.623 1.00 0.00 C ATOM 413 O ASP A 24 -5.140 5.320 -9.168 1.00 0.00 O ATOM 414 CB ASP A 24 -7.935 6.540 -8.373 1.00 0.00 C ATOM 415 CG ASP A 24 -8.459 5.258 -9.025 1.00 0.00 C ATOM 416 OD1 ASP A 24 -9.081 4.413 -8.363 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.203 5.143 -10.284 1.00 0.00 O ATOM 0 H ASP A 24 -7.143 8.205 -6.712 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.645 5.458 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.695 6.919 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.799 7.294 -9.148 1.00 0.00 H new ATOM 423 N LEU A 25 -4.914 7.548 -8.848 1.00 0.00 N ATOM 424 CA LEU A 25 -3.817 7.684 -9.790 1.00 0.00 C ATOM 425 C LEU A 25 -2.535 7.141 -9.156 1.00 0.00 C ATOM 426 O LEU A 25 -1.918 6.219 -9.686 1.00 0.00 O ATOM 427 CB LEU A 25 -3.700 9.132 -10.271 1.00 0.00 C ATOM 428 CG LEU A 25 -5.020 9.857 -10.544 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.775 11.321 -10.913 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.836 9.125 -11.612 1.00 0.00 C ATOM 0 H LEU A 25 -5.197 8.417 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.007 7.090 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.145 9.699 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.106 9.144 -11.185 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.610 9.851 -9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.729 11.813 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.264 11.823 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.157 11.372 -11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.769 9.660 -11.787 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.264 9.079 -12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.057 8.113 -11.271 1.00 0.00 H new ATOM 442 N ILE A 26 -2.172 7.737 -8.029 1.00 0.00 N ATOM 443 CA ILE A 26 -0.975 7.325 -7.317 1.00 0.00 C ATOM 444 C ILE A 26 -0.873 5.798 -7.339 1.00 0.00 C ATOM 445 O ILE A 26 0.077 5.244 -7.889 1.00 0.00 O ATOM 446 CB ILE A 26 -0.957 7.922 -5.908 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.079 9.446 -5.957 1.00 0.00 C ATOM 448 CG2 ILE A 26 0.285 7.470 -5.137 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.098 9.948 -4.932 1.00 0.00 C ATOM 0 H ILE A 26 -2.686 8.502 -7.592 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.085 7.712 -7.814 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.826 7.547 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.107 9.899 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.380 9.758 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.273 7.908 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.287 6.383 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.180 7.796 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.165 11.034 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.074 9.513 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.782 9.655 -3.931 1.00 0.00 H new ATOM 461 N PHE A 27 -1.866 5.162 -6.734 1.00 0.00 N ATOM 462 CA PHE A 27 -1.900 3.711 -6.678 1.00 0.00 C ATOM 463 C PHE A 27 -1.442 3.099 -8.003 1.00 0.00 C ATOM 464 O PHE A 27 -0.610 2.193 -8.018 1.00 0.00 O ATOM 465 CB PHE A 27 -3.353 3.307 -6.420 1.00 0.00 C ATOM 466 CG PHE A 27 -3.833 3.586 -4.993 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.141 3.088 -3.934 1.00 0.00 C ATOM 468 CD2 PHE A 27 -4.950 4.333 -4.785 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.585 3.347 -2.610 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.395 4.591 -3.462 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.703 4.093 -2.402 1.00 0.00 C ATOM 0 H PHE A 27 -2.652 5.625 -6.279 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.232 3.354 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.997 3.840 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.466 2.243 -6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.253 2.495 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.499 4.730 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.035 2.952 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.283 5.183 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.041 4.290 -1.395 1.00 0.00 H new ATOM 481 N GLY A 28 -2.004 3.620 -9.084 1.00 0.00 N ATOM 482 CA GLY A 28 -1.663 3.137 -10.412 1.00 0.00 C ATOM 483 C GLY A 28 -0.154 2.924 -10.547 1.00 0.00 C ATOM 484 O GLY A 28 0.290 1.868 -10.995 1.00 0.00 O ATOM 0 H GLY A 28 -2.693 4.372 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.185 2.200 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.001 3.853 -11.161 1.00 0.00 H new ATOM 488 N ARG A 29 0.593 3.944 -10.152 1.00 0.00 N ATOM 489 CA ARG A 29 2.043 3.882 -10.223 1.00 0.00 C ATOM 490 C ARG A 29 2.607 3.206 -8.972 1.00 0.00 C ATOM 491 O ARG A 29 3.335 2.219 -9.071 1.00 0.00 O ATOM 492 CB ARG A 29 2.648 5.281 -10.355 1.00 0.00 C ATOM 493 CG ARG A 29 2.793 5.679 -11.825 1.00 0.00 C ATOM 494 CD ARG A 29 3.967 6.642 -12.020 1.00 0.00 C ATOM 495 NE ARG A 29 4.648 6.357 -13.302 1.00 0.00 N ATOM 496 CZ ARG A 29 5.581 7.158 -13.858 1.00 0.00 C ATOM 497 NH1 ARG A 29 5.953 8.303 -13.247 1.00 0.00 N ATOM 498 NH2 ARG A 29 6.125 6.806 -15.008 1.00 0.00 N ATOM 0 H ARG A 29 0.221 4.819 -9.781 1.00 0.00 H new ATOM 0 HA ARG A 29 2.307 3.299 -11.105 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.016 6.004 -9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.624 5.306 -9.870 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.945 4.787 -12.433 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.872 6.148 -12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.609 7.671 -12.010 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.671 6.541 -11.194 1.00 0.00 H new ATOM 0 HE ARG A 29 4.397 5.501 -13.797 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.528 8.568 -12.358 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.659 8.903 -13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.839 5.939 -15.464 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.832 7.401 -15.441 1.00 0.00 H new ATOM 511 N PHE A 30 2.251 3.764 -7.825 1.00 0.00 N ATOM 512 CA PHE A 30 2.713 3.227 -6.556 1.00 0.00 C ATOM 513 C PHE A 30 2.762 1.698 -6.593 1.00 0.00 C ATOM 514 O PHE A 30 3.780 1.098 -6.254 1.00 0.00 O ATOM 515 CB PHE A 30 1.707 3.668 -5.491 1.00 0.00 C ATOM 516 CG PHE A 30 1.649 2.747 -4.271 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.766 2.084 -3.865 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.481 2.590 -3.592 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.712 1.229 -2.733 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.427 1.735 -2.459 1.00 0.00 C ATOM 521 CZ PHE A 30 1.544 1.072 -2.054 1.00 0.00 C ATOM 0 H PHE A 30 1.648 4.583 -7.747 1.00 0.00 H new ATOM 0 HA PHE A 30 3.718 3.591 -6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.961 4.675 -5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.716 3.720 -5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.694 2.208 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.406 3.116 -3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.599 0.703 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.500 1.611 -1.919 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.503 0.421 -1.193 1.00 0.00 H new ATOM 531 N MET A 31 1.648 1.112 -7.007 1.00 0.00 N ATOM 532 CA MET A 31 1.550 -0.335 -7.092 1.00 0.00 C ATOM 533 C MET A 31 2.493 -0.885 -8.165 1.00 0.00 C ATOM 534 O MET A 31 3.374 -1.691 -7.868 1.00 0.00 O ATOM 535 CB MET A 31 0.110 -0.731 -7.426 1.00 0.00 C ATOM 536 CG MET A 31 -0.697 -0.986 -6.151 1.00 0.00 C ATOM 537 SD MET A 31 -2.113 0.100 -6.098 1.00 0.00 S ATOM 538 CE MET A 31 -3.201 -0.754 -7.226 1.00 0.00 C ATOM 0 H MET A 31 0.805 1.614 -7.287 1.00 0.00 H new ATOM 0 HA MET A 31 1.838 -0.758 -6.129 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.363 0.060 -8.008 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.110 -1.627 -8.046 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.024 -2.025 -6.119 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.070 -0.822 -5.275 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.153 -0.226 -7.283 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.745 -0.788 -8.215 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.370 -1.770 -6.869 1.00 0.00 H new ATOM 548 N GLU A 32 2.275 -0.429 -9.389 1.00 0.00 N ATOM 549 CA GLU A 32 3.094 -0.865 -10.507 1.00 0.00 C ATOM 550 C GLU A 32 4.578 -0.789 -10.140 1.00 0.00 C ATOM 551 O GLU A 32 5.401 -1.496 -10.720 1.00 0.00 O ATOM 552 CB GLU A 32 2.797 -0.040 -11.760 1.00 0.00 C ATOM 553 CG GLU A 32 2.662 -0.939 -12.991 1.00 0.00 C ATOM 554 CD GLU A 32 2.801 -0.128 -14.281 1.00 0.00 C ATOM 555 OE1 GLU A 32 1.878 -0.118 -15.109 1.00 0.00 O ATOM 556 OE2 GLU A 32 3.916 0.508 -14.407 1.00 0.00 O ATOM 0 H GLU A 32 1.543 0.238 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 32 2.847 -1.903 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.877 0.527 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.596 0.684 -11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.425 -1.717 -12.963 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.694 -1.440 -12.975 1.00 0.00 H new ATOM 564 N LYS A 33 4.873 0.073 -9.179 1.00 0.00 N ATOM 565 CA LYS A 33 6.243 0.251 -8.728 1.00 0.00 C ATOM 566 C LYS A 33 6.497 -0.650 -7.517 1.00 0.00 C ATOM 567 O LYS A 33 7.538 -1.300 -7.430 1.00 0.00 O ATOM 568 CB LYS A 33 6.534 1.730 -8.466 1.00 0.00 C ATOM 569 CG LYS A 33 6.796 2.477 -9.775 1.00 0.00 C ATOM 570 CD LYS A 33 8.286 2.468 -10.122 1.00 0.00 C ATOM 571 CE LYS A 33 8.529 1.795 -11.475 1.00 0.00 C ATOM 572 NZ LYS A 33 9.877 1.185 -11.515 1.00 0.00 N ATOM 0 H LYS A 33 4.187 0.656 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 33 6.943 -0.054 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.690 2.184 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.400 1.823 -7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.228 2.014 -10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.445 3.505 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.664 3.490 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.841 1.942 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.772 1.030 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.431 2.528 -12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.026 0.733 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.596 1.922 -11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.957 0.471 -10.763 1.00 0.00 H new ATOM 585 N GLU A 34 5.529 -0.659 -6.613 1.00 0.00 N ATOM 586 CA GLU A 34 5.634 -1.469 -5.411 1.00 0.00 C ATOM 587 C GLU A 34 4.986 -2.837 -5.635 1.00 0.00 C ATOM 588 O GLU A 34 5.681 -3.845 -5.758 1.00 0.00 O ATOM 589 CB GLU A 34 5.009 -0.755 -4.212 1.00 0.00 C ATOM 590 CG GLU A 34 6.011 0.197 -3.556 1.00 0.00 C ATOM 591 CD GLU A 34 6.787 0.988 -4.611 1.00 0.00 C ATOM 592 OE1 GLU A 34 7.572 0.402 -5.373 1.00 0.00 O ATOM 593 OE2 GLU A 34 6.551 2.256 -4.625 1.00 0.00 O ATOM 0 H GLU A 34 4.668 -0.118 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 34 6.690 -1.621 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.130 -0.197 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.670 -1.491 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.485 0.885 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.706 -0.371 -2.938 1.00 0.00 H new ATOM 601 N PHE A 35 3.662 -2.828 -5.680 1.00 0.00 N ATOM 602 CA PHE A 35 2.912 -4.056 -5.886 1.00 0.00 C ATOM 603 C PHE A 35 3.619 -4.968 -6.890 1.00 0.00 C ATOM 604 O PHE A 35 3.545 -6.191 -6.782 1.00 0.00 O ATOM 605 CB PHE A 35 1.547 -3.657 -6.451 1.00 0.00 C ATOM 606 CG PHE A 35 0.805 -4.798 -7.150 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.215 -5.777 -6.413 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.735 -4.833 -8.508 1.00 0.00 C ATOM 609 CE1 PHE A 35 -0.473 -6.836 -7.062 1.00 0.00 C ATOM 610 CE2 PHE A 35 0.047 -5.892 -9.156 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.543 -6.871 -8.419 1.00 0.00 C ATOM 0 H PHE A 35 3.089 -1.990 -5.577 1.00 0.00 H new ATOM 0 HA PHE A 35 2.820 -4.598 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.926 -3.277 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.683 -2.839 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.270 -5.749 -5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.203 -4.055 -9.093 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.941 -7.614 -6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.008 -5.920 -10.234 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.067 -7.676 -8.912 1.00 0.00 H new ATOM 621 N GLU A 36 4.289 -4.339 -7.844 1.00 0.00 N ATOM 622 CA GLU A 36 5.009 -5.078 -8.866 1.00 0.00 C ATOM 623 C GLU A 36 6.188 -5.832 -8.245 1.00 0.00 C ATOM 624 O GLU A 36 6.396 -7.009 -8.532 1.00 0.00 O ATOM 625 CB GLU A 36 5.481 -4.149 -9.986 1.00 0.00 C ATOM 626 CG GLU A 36 6.041 -4.949 -11.164 1.00 0.00 C ATOM 627 CD GLU A 36 7.340 -4.328 -11.681 1.00 0.00 C ATOM 628 OE1 GLU A 36 7.328 -3.626 -12.702 1.00 0.00 O ATOM 629 OE2 GLU A 36 8.389 -4.597 -10.980 1.00 0.00 O ATOM 0 H GLU A 36 4.348 -3.324 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 36 4.328 -5.806 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.650 -3.530 -10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.246 -3.473 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.224 -5.978 -10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.305 -4.983 -11.967 1.00 0.00 H new ATOM 637 N HIS A 37 6.927 -5.121 -7.407 1.00 0.00 N ATOM 638 CA HIS A 37 8.079 -5.708 -6.743 1.00 0.00 C ATOM 639 C HIS A 37 7.622 -6.460 -5.491 1.00 0.00 C ATOM 640 O HIS A 37 8.205 -7.481 -5.129 1.00 0.00 O ATOM 641 CB HIS A 37 9.134 -4.641 -6.442 1.00 0.00 C ATOM 642 CG HIS A 37 10.556 -5.136 -6.552 1.00 0.00 C ATOM 643 ND1 HIS A 37 11.513 -4.888 -5.583 1.00 0.00 N ATOM 644 CD2 HIS A 37 11.173 -5.868 -7.523 1.00 0.00 C ATOM 645 CE1 HIS A 37 12.651 -5.449 -5.966 1.00 0.00 C ATOM 646 NE2 HIS A 37 12.438 -6.055 -7.169 1.00 0.00 N ATOM 0 H HIS A 37 6.751 -4.144 -7.172 1.00 0.00 H new ATOM 0 HA HIS A 37 8.556 -6.431 -7.405 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.997 -3.805 -7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.971 -4.257 -5.435 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.710 -6.234 -8.428 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.583 -5.430 -5.421 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.136 -6.568 -7.708 1.00 0.00 H new ATOM 654 N LEU A 38 6.584 -5.926 -4.865 1.00 0.00 N ATOM 655 CA LEU A 38 6.043 -6.533 -3.661 1.00 0.00 C ATOM 656 C LEU A 38 5.784 -8.019 -3.918 1.00 0.00 C ATOM 657 O LEU A 38 6.066 -8.524 -5.003 1.00 0.00 O ATOM 658 CB LEU A 38 4.808 -5.767 -3.183 1.00 0.00 C ATOM 659 CG LEU A 38 5.052 -4.339 -2.693 1.00 0.00 C ATOM 660 CD1 LEU A 38 3.738 -3.661 -2.302 1.00 0.00 C ATOM 661 CD2 LEU A 38 6.070 -4.319 -1.550 1.00 0.00 C ATOM 0 H LEU A 38 6.103 -5.079 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 38 6.763 -6.470 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.088 -5.731 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.344 -6.333 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 38 5.478 -3.764 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.940 -2.647 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.076 -3.625 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.260 -4.227 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.226 -3.292 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.695 -4.915 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.015 -4.736 -1.897 1.00 0.00 H new ATOM 673 N SER A 39 5.249 -8.678 -2.900 1.00 0.00 N ATOM 674 CA SER A 39 4.949 -10.096 -3.002 1.00 0.00 C ATOM 675 C SER A 39 3.993 -10.511 -1.881 1.00 0.00 C ATOM 676 O SER A 39 3.519 -9.667 -1.121 1.00 0.00 O ATOM 677 CB SER A 39 6.227 -10.935 -2.947 1.00 0.00 C ATOM 678 OG SER A 39 5.950 -12.316 -2.730 1.00 0.00 O ATOM 0 H SER A 39 5.016 -8.256 -2.001 1.00 0.00 H new ATOM 0 HA SER A 39 4.470 -10.275 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.778 -10.818 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.870 -10.564 -2.149 1.00 0.00 H new ATOM 0 HG SER A 39 6.791 -12.818 -2.703 1.00 0.00 H new ATOM 684 N ASP A 40 3.739 -11.809 -1.814 1.00 0.00 N ATOM 685 CA ASP A 40 2.848 -12.345 -0.799 1.00 0.00 C ATOM 686 C ASP A 40 3.227 -11.765 0.565 1.00 0.00 C ATOM 687 O ASP A 40 2.362 -11.319 1.316 1.00 0.00 O ATOM 688 CB ASP A 40 2.964 -13.869 -0.713 1.00 0.00 C ATOM 689 CG ASP A 40 3.077 -14.585 -2.060 1.00 0.00 C ATOM 690 OD1 ASP A 40 3.881 -14.202 -2.923 1.00 0.00 O ATOM 691 OD2 ASP A 40 2.285 -15.592 -2.210 1.00 0.00 O ATOM 0 H ASP A 40 4.134 -12.505 -2.446 1.00 0.00 H new ATOM 0 HA ASP A 40 1.827 -12.075 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.838 -14.119 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.092 -14.256 -0.185 1.00 0.00 H new ATOM 697 N LYS A 41 4.523 -11.788 0.843 1.00 0.00 N ATOM 698 CA LYS A 41 5.027 -11.270 2.103 1.00 0.00 C ATOM 699 C LYS A 41 4.539 -9.832 2.289 1.00 0.00 C ATOM 700 O LYS A 41 3.741 -9.554 3.183 1.00 0.00 O ATOM 701 CB LYS A 41 6.549 -11.417 2.172 1.00 0.00 C ATOM 702 CG LYS A 41 7.069 -11.084 3.572 1.00 0.00 C ATOM 703 CD LYS A 41 8.377 -11.823 3.861 1.00 0.00 C ATOM 704 CE LYS A 41 8.848 -11.565 5.293 1.00 0.00 C ATOM 705 NZ LYS A 41 10.152 -12.221 5.536 1.00 0.00 N ATOM 0 H LYS A 41 5.239 -12.157 0.217 1.00 0.00 H new ATOM 0 HA LYS A 41 4.636 -11.851 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.832 -12.436 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.015 -10.757 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.228 -10.009 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.321 -11.357 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.236 -12.893 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.145 -11.499 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.936 -10.492 5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.108 -11.941 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.457 -12.036 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.057 -13.247 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.860 -11.842 4.875 1.00 0.00 H new ATOM 718 N GLU A 42 5.040 -8.955 1.431 1.00 0.00 N ATOM 719 CA GLU A 42 4.665 -7.552 1.490 1.00 0.00 C ATOM 720 C GLU A 42 3.143 -7.407 1.434 1.00 0.00 C ATOM 721 O GLU A 42 2.563 -6.615 2.176 1.00 0.00 O ATOM 722 CB GLU A 42 5.334 -6.758 0.367 1.00 0.00 C ATOM 723 CG GLU A 42 6.834 -7.052 0.305 1.00 0.00 C ATOM 724 CD GLU A 42 7.652 -5.809 0.658 1.00 0.00 C ATOM 725 OE1 GLU A 42 7.256 -5.038 1.546 1.00 0.00 O ATOM 726 OE2 GLU A 42 8.735 -5.656 -0.025 1.00 0.00 O ATOM 0 H GLU A 42 5.702 -9.189 0.691 1.00 0.00 H new ATOM 0 HA GLU A 42 5.015 -7.142 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.871 -7.010 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.175 -5.691 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.078 -7.860 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.100 -7.395 -0.695 1.00 0.00 H new ATOM 734 N LEU A 43 2.539 -8.183 0.547 1.00 0.00 N ATOM 735 CA LEU A 43 1.095 -8.151 0.384 1.00 0.00 C ATOM 736 C LEU A 43 0.432 -8.095 1.761 1.00 0.00 C ATOM 737 O LEU A 43 -0.508 -7.331 1.971 1.00 0.00 O ATOM 738 CB LEU A 43 0.627 -9.326 -0.477 1.00 0.00 C ATOM 739 CG LEU A 43 0.960 -9.239 -1.968 1.00 0.00 C ATOM 740 CD1 LEU A 43 -0.270 -9.550 -2.824 1.00 0.00 C ATOM 741 CD2 LEU A 43 1.571 -7.880 -2.316 1.00 0.00 C ATOM 0 H LEU A 43 3.023 -8.838 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 43 0.792 -7.252 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.067 -10.240 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.454 -9.421 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 43 1.710 -9.997 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.006 -9.481 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.622 -10.558 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.060 -8.833 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.798 -7.845 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.863 -7.089 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.488 -7.736 -1.745 1.00 0.00 H new ATOM 753 N SER A 44 0.948 -8.916 2.665 1.00 0.00 N ATOM 754 CA SER A 44 0.417 -8.969 4.016 1.00 0.00 C ATOM 755 C SER A 44 0.308 -7.556 4.592 1.00 0.00 C ATOM 756 O SER A 44 -0.772 -7.129 4.997 1.00 0.00 O ATOM 757 CB SER A 44 1.293 -9.843 4.917 1.00 0.00 C ATOM 758 OG SER A 44 0.518 -10.588 5.854 1.00 0.00 O ATOM 0 H SER A 44 1.728 -9.549 2.488 1.00 0.00 H new ATOM 0 HA SER A 44 -0.577 -9.415 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.876 -10.529 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.003 -9.214 5.453 1.00 0.00 H new ATOM 0 HG SER A 44 1.113 -11.134 6.409 1.00 0.00 H new ATOM 764 N GLU A 45 1.441 -6.870 4.611 1.00 0.00 N ATOM 765 CA GLU A 45 1.486 -5.514 5.130 1.00 0.00 C ATOM 766 C GLU A 45 0.573 -4.600 4.310 1.00 0.00 C ATOM 767 O GLU A 45 -0.254 -3.881 4.867 1.00 0.00 O ATOM 768 CB GLU A 45 2.920 -4.981 5.150 1.00 0.00 C ATOM 769 CG GLU A 45 3.701 -5.553 6.334 1.00 0.00 C ATOM 770 CD GLU A 45 3.234 -4.929 7.651 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.276 -4.142 7.659 1.00 0.00 O ATOM 772 OE2 GLU A 45 3.904 -5.289 8.693 1.00 0.00 O ATOM 0 H GLU A 45 2.335 -7.228 4.275 1.00 0.00 H new ATOM 0 HA GLU A 45 1.124 -5.528 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.422 -5.242 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.906 -3.893 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.569 -6.634 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.766 -5.366 6.196 1.00 0.00 H new ATOM 780 N PHE A 46 0.754 -4.660 2.999 1.00 0.00 N ATOM 781 CA PHE A 46 -0.044 -3.847 2.096 1.00 0.00 C ATOM 782 C PHE A 46 -1.504 -3.794 2.550 1.00 0.00 C ATOM 783 O PHE A 46 -2.071 -2.713 2.705 1.00 0.00 O ATOM 784 CB PHE A 46 0.026 -4.509 0.718 1.00 0.00 C ATOM 785 CG PHE A 46 0.162 -3.521 -0.441 1.00 0.00 C ATOM 786 CD1 PHE A 46 -0.201 -2.221 -0.273 1.00 0.00 C ATOM 787 CD2 PHE A 46 0.645 -3.942 -1.641 1.00 0.00 C ATOM 788 CE1 PHE A 46 -0.074 -1.303 -1.349 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.771 -3.024 -2.717 1.00 0.00 C ATOM 790 CZ PHE A 46 0.409 -1.724 -2.549 1.00 0.00 C ATOM 0 H PHE A 46 1.441 -5.258 2.540 1.00 0.00 H new ATOM 0 HA PHE A 46 0.339 -2.827 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.873 -5.195 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.872 -5.108 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.586 -1.887 0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.933 -4.974 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.361 -0.271 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.155 -3.359 -3.670 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.505 -1.026 -3.368 1.00 0.00 H new ATOM 800 N SER A 47 -2.071 -4.975 2.751 1.00 0.00 N ATOM 801 CA SER A 47 -3.454 -5.076 3.184 1.00 0.00 C ATOM 802 C SER A 47 -3.640 -4.348 4.517 1.00 0.00 C ATOM 803 O SER A 47 -4.646 -3.672 4.724 1.00 0.00 O ATOM 804 CB SER A 47 -3.884 -6.539 3.314 1.00 0.00 C ATOM 805 OG SER A 47 -5.208 -6.751 2.833 1.00 0.00 O ATOM 0 H SER A 47 -1.598 -5.869 2.622 1.00 0.00 H new ATOM 0 HA SER A 47 -4.084 -4.605 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.191 -7.171 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.825 -6.843 4.359 1.00 0.00 H new ATOM 0 HG SER A 47 -5.444 -7.697 2.932 1.00 0.00 H new ATOM 811 N GLU A 48 -2.653 -4.511 5.386 1.00 0.00 N ATOM 812 CA GLU A 48 -2.695 -3.877 6.693 1.00 0.00 C ATOM 813 C GLU A 48 -2.757 -2.356 6.544 1.00 0.00 C ATOM 814 O GLU A 48 -3.538 -1.693 7.225 1.00 0.00 O ATOM 815 CB GLU A 48 -1.495 -4.296 7.545 1.00 0.00 C ATOM 816 CG GLU A 48 -1.845 -5.489 8.436 1.00 0.00 C ATOM 817 CD GLU A 48 -0.600 -6.029 9.143 1.00 0.00 C ATOM 818 OE1 GLU A 48 -0.333 -7.239 9.090 1.00 0.00 O ATOM 819 OE2 GLU A 48 0.103 -5.143 9.763 1.00 0.00 O ATOM 0 H GLU A 48 -1.820 -5.073 5.211 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.597 -4.209 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.657 -4.555 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.173 -3.458 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.587 -5.189 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.296 -6.277 7.834 1.00 0.00 H new ATOM 827 N ILE A 49 -1.924 -1.847 5.648 1.00 0.00 N ATOM 828 CA ILE A 49 -1.874 -0.416 5.400 1.00 0.00 C ATOM 829 C ILE A 49 -3.104 0.001 4.592 1.00 0.00 C ATOM 830 O ILE A 49 -3.844 0.895 4.997 1.00 0.00 O ATOM 831 CB ILE A 49 -0.547 -0.032 4.743 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.298 0.835 5.679 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.780 0.644 3.391 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.777 0.783 5.289 1.00 0.00 C ATOM 0 H ILE A 49 -1.278 -2.400 5.085 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.909 0.135 6.340 1.00 0.00 H new ATOM 0 HB ILE A 49 0.017 -0.945 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.055 1.866 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.177 0.492 6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.179 0.907 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.312 -0.039 2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.373 1.547 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.355 1.408 5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.133 -0.245 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.898 1.150 4.270 1.00 0.00 H new ATOM 846 N LEU A 50 -3.284 -0.668 3.462 1.00 0.00 N ATOM 847 CA LEU A 50 -4.411 -0.378 2.592 1.00 0.00 C ATOM 848 C LEU A 50 -5.673 -0.210 3.440 1.00 0.00 C ATOM 849 O LEU A 50 -6.530 0.615 3.127 1.00 0.00 O ATOM 850 CB LEU A 50 -4.539 -1.448 1.506 1.00 0.00 C ATOM 851 CG LEU A 50 -3.400 -1.507 0.486 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.355 -2.870 -0.208 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.501 -0.356 -0.517 1.00 0.00 C ATOM 0 H LEU A 50 -2.668 -1.410 3.129 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.253 0.562 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.618 -2.421 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.473 -1.283 0.969 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.457 -1.386 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.537 -2.885 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.199 -3.652 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.298 -3.046 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.679 -0.422 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.450 -0.420 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.446 0.595 0.013 1.00 0.00 H new ATOM 865 N GLU A 51 -5.748 -1.005 4.498 1.00 0.00 N ATOM 866 CA GLU A 51 -6.891 -0.954 5.393 1.00 0.00 C ATOM 867 C GLU A 51 -7.390 0.485 5.535 1.00 0.00 C ATOM 868 O GLU A 51 -8.596 0.727 5.573 1.00 0.00 O ATOM 869 CB GLU A 51 -6.546 -1.552 6.758 1.00 0.00 C ATOM 870 CG GLU A 51 -6.380 -3.071 6.665 1.00 0.00 C ATOM 871 CD GLU A 51 -7.249 -3.781 7.705 1.00 0.00 C ATOM 872 OE1 GLU A 51 -6.717 -4.384 8.650 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.520 -3.692 7.507 1.00 0.00 O ATOM 0 H GLU A 51 -5.035 -1.688 4.755 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.692 -1.555 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.626 -1.104 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.332 -1.312 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.652 -3.410 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.334 -3.336 6.817 1.00 0.00 H new ATOM 881 N PHE A 52 -6.438 1.403 5.610 1.00 0.00 N ATOM 882 CA PHE A 52 -6.766 2.812 5.748 1.00 0.00 C ATOM 883 C PHE A 52 -7.510 3.325 4.513 1.00 0.00 C ATOM 884 O PHE A 52 -7.244 2.884 3.396 1.00 0.00 O ATOM 885 CB PHE A 52 -5.442 3.568 5.882 1.00 0.00 C ATOM 886 CG PHE A 52 -5.095 3.965 7.318 1.00 0.00 C ATOM 887 CD1 PHE A 52 -5.850 4.890 7.969 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.032 3.393 7.944 1.00 0.00 C ATOM 889 CE1 PHE A 52 -5.528 5.259 9.302 1.00 0.00 C ATOM 890 CE2 PHE A 52 -3.710 3.761 9.277 1.00 0.00 C ATOM 891 CZ PHE A 52 -4.465 4.687 9.928 1.00 0.00 C ATOM 0 H PHE A 52 -5.439 1.199 5.578 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.410 2.961 6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.639 2.948 5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.485 4.467 5.268 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.695 5.344 7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.432 2.658 7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.127 5.994 9.819 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.866 3.306 9.774 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.220 4.968 10.942 1.00 0.00 H new ATOM 901 N GLN A 53 -8.427 4.250 4.756 1.00 0.00 N ATOM 902 CA GLN A 53 -9.211 4.827 3.678 1.00 0.00 C ATOM 903 C GLN A 53 -8.342 5.756 2.828 1.00 0.00 C ATOM 904 O GLN A 53 -7.185 6.008 3.163 1.00 0.00 O ATOM 905 CB GLN A 53 -10.433 5.568 4.225 1.00 0.00 C ATOM 906 CG GLN A 53 -10.037 6.516 5.359 1.00 0.00 C ATOM 907 CD GLN A 53 -10.738 6.133 6.664 1.00 0.00 C ATOM 908 OE1 GLN A 53 -9.940 5.555 7.557 1.00 0.00 O flip ATOM 909 NE2 GLN A 53 -11.925 6.347 6.847 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.644 4.614 5.684 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.572 4.017 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.909 6.133 3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.167 4.848 4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.957 6.488 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.297 7.540 5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.481 6.795 6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.362 6.078 7.729 1.00 0.00 H new ATOM 918 N ASP A 54 -8.932 6.239 1.745 1.00 0.00 N ATOM 919 CA ASP A 54 -8.226 7.134 0.844 1.00 0.00 C ATOM 920 C ASP A 54 -8.028 8.488 1.529 1.00 0.00 C ATOM 921 O ASP A 54 -6.927 9.038 1.518 1.00 0.00 O ATOM 922 CB ASP A 54 -9.024 7.367 -0.440 1.00 0.00 C ATOM 923 CG ASP A 54 -8.548 6.564 -1.652 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.911 6.864 -2.800 1.00 0.00 O ATOM 925 OD2 ASP A 54 -7.759 5.581 -1.379 1.00 0.00 O ATOM 0 H ASP A 54 -9.891 6.027 1.471 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.269 6.675 0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.069 7.123 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.984 8.428 -0.687 1.00 0.00 H new ATOM 931 N GLN A 55 -9.110 8.986 2.109 1.00 0.00 N ATOM 932 CA GLN A 55 -9.069 10.265 2.798 1.00 0.00 C ATOM 933 C GLN A 55 -7.894 10.302 3.777 1.00 0.00 C ATOM 934 O GLN A 55 -7.005 11.143 3.654 1.00 0.00 O ATOM 935 CB GLN A 55 -10.391 10.543 3.515 1.00 0.00 C ATOM 936 CG GLN A 55 -10.719 12.038 3.498 1.00 0.00 C ATOM 937 CD GLN A 55 -11.073 12.537 4.901 1.00 0.00 C ATOM 938 OE1 GLN A 55 -11.268 11.771 5.830 1.00 0.00 O ATOM 939 NE2 GLN A 55 -11.145 13.861 5.001 1.00 0.00 N ATOM 0 H GLN A 55 -10.021 8.527 2.116 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.924 11.052 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.194 9.985 3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.331 10.192 4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.866 12.597 3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.553 12.224 2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.970 14.445 4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.375 14.293 5.896 1.00 0.00 H new ATOM 948 N GLU A 56 -7.929 9.381 4.729 1.00 0.00 N ATOM 949 CA GLU A 56 -6.879 9.299 5.729 1.00 0.00 C ATOM 950 C GLU A 56 -5.525 9.057 5.059 1.00 0.00 C ATOM 951 O GLU A 56 -4.559 9.770 5.327 1.00 0.00 O ATOM 952 CB GLU A 56 -7.184 8.207 6.757 1.00 0.00 C ATOM 953 CG GLU A 56 -8.477 8.514 7.515 1.00 0.00 C ATOM 954 CD GLU A 56 -8.210 9.444 8.701 1.00 0.00 C ATOM 955 OE1 GLU A 56 -8.710 10.578 8.724 1.00 0.00 O ATOM 956 OE2 GLU A 56 -7.453 8.949 9.621 1.00 0.00 O ATOM 0 H GLU A 56 -8.668 8.685 4.829 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.836 10.250 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.273 7.244 6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.356 8.124 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.197 8.977 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.924 7.585 7.870 1.00 0.00 H new ATOM 964 N LEU A 57 -5.498 8.049 4.199 1.00 0.00 N ATOM 965 CA LEU A 57 -4.278 7.704 3.488 1.00 0.00 C ATOM 966 C LEU A 57 -3.605 8.985 2.990 1.00 0.00 C ATOM 967 O LEU A 57 -2.479 9.290 3.380 1.00 0.00 O ATOM 968 CB LEU A 57 -4.573 6.692 2.379 1.00 0.00 C ATOM 969 CG LEU A 57 -3.370 6.236 1.551 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.385 5.439 2.408 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.820 5.453 0.316 1.00 0.00 C ATOM 0 H LEU A 57 -6.301 7.460 3.978 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.572 7.212 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.033 5.813 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.310 7.127 1.704 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.844 7.122 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.539 5.127 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.029 6.063 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.884 4.559 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.946 5.141 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.383 4.573 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.452 6.087 -0.306 1.00 0.00 H new ATOM 983 N LEU A 58 -4.323 9.699 2.135 1.00 0.00 N ATOM 984 CA LEU A 58 -3.808 10.939 1.579 1.00 0.00 C ATOM 985 C LEU A 58 -3.191 11.777 2.700 1.00 0.00 C ATOM 986 O LEU A 58 -2.003 12.097 2.658 1.00 0.00 O ATOM 987 CB LEU A 58 -4.901 11.668 0.796 1.00 0.00 C ATOM 988 CG LEU A 58 -4.443 12.412 -0.461 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.929 11.434 -1.519 1.00 0.00 C ATOM 990 CD2 LEU A 58 -5.557 13.310 -1.003 1.00 0.00 C ATOM 0 H LEU A 58 -5.257 9.443 1.814 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.015 10.735 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.660 10.941 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.382 12.384 1.463 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.610 13.061 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.610 11.988 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.085 10.874 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.726 10.742 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.206 13.827 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.425 12.701 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.835 14.043 -0.245 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.024 12.110 3.674 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.574 12.905 4.804 1.00 0.00 C ATOM 1004 C ALA A 59 -2.279 12.309 5.359 1.00 0.00 C ATOM 1005 O ALA A 59 -1.317 13.033 5.611 1.00 0.00 O ATOM 1006 CB ALA A 59 -4.684 12.971 5.856 1.00 0.00 C ATOM 0 H ALA A 59 -5.008 11.844 3.704 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.359 13.927 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.347 13.567 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.572 13.429 5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.925 11.963 6.194 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.297 10.996 5.533 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.136 10.294 6.054 1.00 0.00 C ATOM 1014 C LEU A 60 0.090 10.649 5.209 1.00 0.00 C ATOM 1015 O LEU A 60 1.119 11.059 5.744 1.00 0.00 O ATOM 1016 CB LEU A 60 -1.411 8.792 6.137 1.00 0.00 C ATOM 1017 CG LEU A 60 -1.819 8.260 7.513 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -2.684 7.005 7.381 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -0.592 8.021 8.395 1.00 0.00 C ATOM 0 H LEU A 60 -3.097 10.399 5.323 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.924 10.613 7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.200 8.547 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.516 8.260 5.815 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.426 9.019 8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.960 6.647 8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.586 7.242 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.123 6.230 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.910 7.643 9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.062 7.291 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.052 8.958 8.529 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.061 10.479 3.904 1.00 0.00 N ATOM 1032 CA ILE A 61 1.021 10.776 2.981 1.00 0.00 C ATOM 1033 C ILE A 61 1.604 12.152 3.311 1.00 0.00 C ATOM 1034 O ILE A 61 2.793 12.272 3.600 1.00 0.00 O ATOM 1035 CB ILE A 61 0.542 10.643 1.534 1.00 0.00 C ATOM 1036 CG1 ILE A 61 -0.153 9.298 1.308 1.00 0.00 C ATOM 1037 CG2 ILE A 61 1.694 10.864 0.552 1.00 0.00 C ATOM 1038 CD1 ILE A 61 0.542 8.183 2.093 1.00 0.00 C ATOM 0 H ILE A 61 -0.916 10.139 3.464 1.00 0.00 H new ATOM 0 HA ILE A 61 1.828 10.052 3.094 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.196 11.423 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.197 9.368 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.149 9.056 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.326 10.764 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.106 11.863 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.472 10.122 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.029 7.238 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.579 8.100 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.515 8.416 3.157 1.00 0.00 H new ATOM 1050 N ASN A 62 0.739 13.154 3.256 1.00 0.00 N ATOM 1051 CA ASN A 62 1.154 14.516 3.546 1.00 0.00 C ATOM 1052 C ASN A 62 1.778 14.569 4.942 1.00 0.00 C ATOM 1053 O ASN A 62 2.709 15.337 5.181 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.041 15.472 3.525 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.121 16.221 2.194 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.389 17.318 2.037 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.789 15.569 1.246 1.00 0.00 N ATOM 0 H ASN A 62 -0.247 13.050 3.015 1.00 0.00 H new ATOM 0 HA ASN A 62 1.872 14.819 2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.962 14.912 3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.046 16.186 4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.899 15.985 0.321 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.191 14.653 1.444 1.00 0.00 H new ATOM 1064 N GLY A 63 1.239 13.743 5.827 1.00 0.00 N ATOM 1065 CA GLY A 63 1.731 13.686 7.193 1.00 0.00 C ATOM 1066 C GLY A 63 0.660 14.150 8.182 1.00 0.00 C ATOM 1067 O GLY A 63 0.979 14.626 9.271 1.00 0.00 O ATOM 0 H GLY A 63 0.467 13.108 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.034 12.667 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.617 14.313 7.290 1.00 0.00 H new ATOM 1071 N HIS A 64 -0.589 13.996 7.767 1.00 0.00 N ATOM 1072 CA HIS A 64 -1.709 14.393 8.603 1.00 0.00 C ATOM 1073 C HIS A 64 -2.044 13.266 9.582 1.00 0.00 C ATOM 1074 O HIS A 64 -1.570 13.262 10.717 1.00 0.00 O ATOM 1075 CB HIS A 64 -2.906 14.808 7.745 1.00 0.00 C ATOM 1076 CG HIS A 64 -3.129 16.300 7.683 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -2.236 17.167 7.075 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -4.150 17.070 8.157 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -2.709 18.399 7.185 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -3.895 18.338 7.857 1.00 0.00 N ATOM 0 H HIS A 64 -0.850 13.602 6.863 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.436 15.269 9.191 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.763 14.430 6.733 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.804 14.333 8.139 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.019 16.709 8.687 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.238 19.295 6.809 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.488 19.135 8.090 1.00 0.00 H new ATOM 1088 N SER A 65 -2.860 12.335 9.107 1.00 0.00 N ATOM 1089 CA SER A 65 -3.264 11.205 9.926 1.00 0.00 C ATOM 1090 C SER A 65 -2.028 10.459 10.434 1.00 0.00 C ATOM 1091 O SER A 65 -0.919 10.691 9.957 1.00 0.00 O ATOM 1092 CB SER A 65 -4.173 10.255 9.144 1.00 0.00 C ATOM 1093 OG SER A 65 -5.552 10.564 9.328 1.00 0.00 O ATOM 0 H SER A 65 -3.252 12.341 8.165 1.00 0.00 H new ATOM 0 HA SER A 65 -3.828 11.584 10.778 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.928 10.309 8.083 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.986 9.230 9.462 1.00 0.00 H new ATOM 0 HG SER A 65 -6.003 9.805 9.753 1.00 0.00 H new ATOM 1099 N GLU A 66 -2.262 9.579 11.397 1.00 0.00 N ATOM 1100 CA GLU A 66 -1.182 8.798 11.975 1.00 0.00 C ATOM 1101 C GLU A 66 -1.508 7.305 11.899 1.00 0.00 C ATOM 1102 O GLU A 66 -2.609 6.925 11.504 1.00 0.00 O ATOM 1103 CB GLU A 66 -0.908 9.226 13.418 1.00 0.00 C ATOM 1104 CG GLU A 66 0.136 10.343 13.469 1.00 0.00 C ATOM 1105 CD GLU A 66 -0.384 11.612 12.791 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -1.505 12.055 13.082 1.00 0.00 O ATOM 1107 OE2 GLU A 66 0.421 12.142 11.934 1.00 0.00 O ATOM 0 H GLU A 66 -3.184 9.390 11.791 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.276 8.983 11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.834 9.567 13.882 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.558 8.370 13.995 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.392 10.559 14.506 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.051 10.013 12.977 1.00 0.00 H new ATOM 1115 N THR A 67 -0.529 6.498 12.282 1.00 0.00 N ATOM 1116 CA THR A 67 -0.697 5.055 12.262 1.00 0.00 C ATOM 1117 C THR A 67 -0.313 4.454 13.615 1.00 0.00 C ATOM 1118 O THR A 67 0.811 4.634 14.082 1.00 0.00 O ATOM 1119 CB THR A 67 0.123 4.500 11.095 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.492 3.248 10.804 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.549 4.127 11.507 1.00 0.00 C ATOM 0 H THR A 67 0.384 6.817 12.608 1.00 0.00 H new ATOM 0 HA THR A 67 -1.740 4.780 12.105 1.00 0.00 H new ATOM 0 HB THR A 67 0.158 5.237 10.292 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.132 2.894 9.964 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.088 3.739 10.643 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.061 5.011 11.887 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.515 3.365 12.286 1.00 0.00 H new ATOM 1129 N ASP A 68 -1.268 3.753 14.208 1.00 0.00 N ATOM 1130 CA ASP A 68 -1.044 3.125 15.499 1.00 0.00 C ATOM 1131 C ASP A 68 -0.539 1.696 15.285 1.00 0.00 C ATOM 1132 O ASP A 68 -0.910 0.786 16.024 1.00 0.00 O ATOM 1133 CB ASP A 68 -2.340 3.052 16.308 1.00 0.00 C ATOM 1134 CG ASP A 68 -2.220 3.509 17.763 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -1.212 3.244 18.435 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.231 4.173 18.212 1.00 0.00 O ATOM 0 H ASP A 68 -2.199 3.606 13.818 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.313 3.723 16.043 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.095 3.662 15.812 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.702 2.024 16.294 1.00 0.00 H new ATOM 1142 N LYS A 69 0.300 1.545 14.270 1.00 0.00 N ATOM 1143 CA LYS A 69 0.859 0.242 13.950 1.00 0.00 C ATOM 1144 C LYS A 69 2.342 0.399 13.609 1.00 0.00 C ATOM 1145 O LYS A 69 2.693 1.079 12.646 1.00 0.00 O ATOM 1146 CB LYS A 69 0.043 -0.435 12.847 1.00 0.00 C ATOM 1147 CG LYS A 69 -1.413 -0.623 13.279 1.00 0.00 C ATOM 1148 CD LYS A 69 -1.943 -1.989 12.839 1.00 0.00 C ATOM 1149 CE LYS A 69 -3.453 -1.940 12.599 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.984 -3.300 12.357 1.00 0.00 N ATOM 0 H LYS A 69 0.606 2.303 13.659 1.00 0.00 H new ATOM 0 HA LYS A 69 0.798 -0.421 14.813 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.082 0.167 11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.483 -1.403 12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.489 -0.531 14.362 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.029 0.166 12.848 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.436 -2.303 11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.716 -2.734 13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.950 -1.497 13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.671 -1.301 11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.010 -3.248 12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.522 -3.709 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.793 -3.900 13.185 1.00 0.00 H new ATOM 1163 N GLY A 70 3.173 -0.241 14.419 1.00 0.00 N ATOM 1164 CA GLY A 70 4.611 -0.181 14.215 1.00 0.00 C ATOM 1165 C GLY A 70 5.025 -0.991 12.984 1.00 0.00 C ATOM 1166 O GLY A 70 6.153 -0.871 12.509 1.00 0.00 O ATOM 0 H GLY A 70 2.878 -0.803 15.217 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.922 0.857 14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.123 -0.566 15.097 1.00 0.00 H new ATOM 1170 N HIS A 71 4.089 -1.796 12.504 1.00 0.00 N ATOM 1171 CA HIS A 71 4.342 -2.625 11.338 1.00 0.00 C ATOM 1172 C HIS A 71 4.044 -1.828 10.067 1.00 0.00 C ATOM 1173 O HIS A 71 4.492 -2.193 8.981 1.00 0.00 O ATOM 1174 CB HIS A 71 3.550 -3.932 11.417 1.00 0.00 C ATOM 1175 CG HIS A 71 3.225 -4.368 12.826 1.00 0.00 C ATOM 1176 ND1 HIS A 71 2.156 -3.858 13.541 1.00 0.00 N ATOM 1177 CD2 HIS A 71 3.839 -5.272 13.642 1.00 0.00 C ATOM 1178 CE1 HIS A 71 2.138 -4.435 14.734 1.00 0.00 C ATOM 1179 NE2 HIS A 71 3.182 -5.311 14.795 1.00 0.00 N ATOM 0 H HIS A 71 3.154 -1.892 12.901 1.00 0.00 H new ATOM 0 HA HIS A 71 5.395 -2.907 11.310 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.620 -3.816 10.860 1.00 0.00 H new ATOM 0 HB3 HIS A 71 4.120 -4.721 10.926 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.712 -5.857 13.392 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.422 -4.245 15.520 1.00 0.00 H new ATOM 0 HE2 HIS A 71 3.419 -5.899 15.594 1.00 0.00 H new ATOM 1187 N LEU A 72 3.290 -0.753 10.244 1.00 0.00 N ATOM 1188 CA LEU A 72 2.927 0.099 9.125 1.00 0.00 C ATOM 1189 C LEU A 72 3.869 1.304 9.080 1.00 0.00 C ATOM 1190 O LEU A 72 4.216 1.786 8.003 1.00 0.00 O ATOM 1191 CB LEU A 72 1.447 0.479 9.198 1.00 0.00 C ATOM 1192 CG LEU A 72 0.464 -0.682 9.362 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.910 -0.179 9.809 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.381 -1.515 8.081 1.00 0.00 C ATOM 0 H LEU A 72 2.921 -0.453 11.146 1.00 0.00 H new ATOM 0 HA LEU A 72 3.049 -0.437 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.309 1.166 10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.187 1.024 8.290 1.00 0.00 H new ATOM 0 HG LEU A 72 0.838 -1.337 10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.589 -1.025 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.816 0.336 10.765 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.305 0.510 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.324 -2.334 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.043 -0.885 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.365 -1.921 7.847 1.00 0.00 H new ATOM 1206 N ILE A 73 4.256 1.756 10.264 1.00 0.00 N ATOM 1207 CA ILE A 73 5.151 2.895 10.374 1.00 0.00 C ATOM 1208 C ILE A 73 6.203 2.821 9.265 1.00 0.00 C ATOM 1209 O ILE A 73 6.429 3.797 8.552 1.00 0.00 O ATOM 1210 CB ILE A 73 5.746 2.976 11.781 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.881 3.849 12.692 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.198 3.456 11.736 1.00 0.00 C ATOM 1213 CD1 ILE A 73 5.704 4.417 13.850 1.00 0.00 C ATOM 0 H ILE A 73 3.966 1.354 11.155 1.00 0.00 H new ATOM 0 HA ILE A 73 4.602 3.826 10.232 1.00 0.00 H new ATOM 0 HB ILE A 73 5.752 1.973 12.208 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.447 4.665 12.115 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.052 3.261 13.085 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.597 3.505 12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.793 2.760 11.145 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.240 4.446 11.282 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.065 5.034 14.482 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.116 3.598 14.440 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.518 5.024 13.454 1.00 0.00 H new ATOM 1225 N PRO A 74 6.835 1.622 9.152 1.00 0.00 N ATOM 1226 CA PRO A 74 7.857 1.407 8.142 1.00 0.00 C ATOM 1227 C PRO A 74 7.233 1.248 6.755 1.00 0.00 C ATOM 1228 O PRO A 74 7.540 2.012 5.841 1.00 0.00 O ATOM 1229 CB PRO A 74 8.609 0.168 8.601 1.00 0.00 C ATOM 1230 CG PRO A 74 7.693 -0.532 9.592 1.00 0.00 C ATOM 1231 CD PRO A 74 6.593 0.443 9.979 1.00 0.00 C ATOM 0 HA PRO A 74 8.535 2.255 8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.842 -0.482 7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.557 0.437 9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.267 -1.432 9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.253 -0.846 10.473 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.606 0.022 9.789 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.636 0.688 11.040 1.00 0.00 H new ATOM 1239 N MET A 75 6.368 0.251 6.641 1.00 0.00 N ATOM 1240 CA MET A 75 5.698 -0.018 5.380 1.00 0.00 C ATOM 1241 C MET A 75 5.101 1.263 4.792 1.00 0.00 C ATOM 1242 O MET A 75 4.903 1.361 3.582 1.00 0.00 O ATOM 1243 CB MET A 75 4.585 -1.045 5.602 1.00 0.00 C ATOM 1244 CG MET A 75 5.162 -2.388 6.053 1.00 0.00 C ATOM 1245 SD MET A 75 6.206 -3.066 4.774 1.00 0.00 S ATOM 1246 CE MET A 75 4.994 -3.327 3.490 1.00 0.00 C ATOM 0 H MET A 75 6.116 -0.380 7.401 1.00 0.00 H new ATOM 0 HA MET A 75 6.432 -0.411 4.676 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.887 -0.674 6.353 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.019 -1.179 4.680 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.736 -2.257 6.970 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.353 -3.083 6.280 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.011 -4.372 3.180 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.003 -3.077 3.869 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.227 -2.691 2.636 1.00 0.00 H new ATOM 1256 N LEU A 76 4.830 2.211 5.677 1.00 0.00 N ATOM 1257 CA LEU A 76 4.260 3.481 5.261 1.00 0.00 C ATOM 1258 C LEU A 76 5.349 4.336 4.611 1.00 0.00 C ATOM 1259 O LEU A 76 5.084 5.066 3.656 1.00 0.00 O ATOM 1260 CB LEU A 76 3.561 4.166 6.438 1.00 0.00 C ATOM 1261 CG LEU A 76 2.065 3.885 6.585 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.545 4.377 7.937 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.277 4.481 5.417 1.00 0.00 C ATOM 0 H LEU A 76 4.995 2.125 6.680 1.00 0.00 H new ATOM 0 HA LEU A 76 3.487 3.323 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.060 3.862 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.700 5.243 6.341 1.00 0.00 H new ATOM 0 HG LEU A 76 1.916 2.806 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.479 4.165 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.077 3.866 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.708 5.451 8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.216 4.267 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.428 5.560 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.624 4.042 4.482 1.00 0.00 H new ATOM 1275 N GLU A 77 6.552 4.218 5.153 1.00 0.00 N ATOM 1276 CA GLU A 77 7.683 4.971 4.637 1.00 0.00 C ATOM 1277 C GLU A 77 7.955 4.589 3.181 1.00 0.00 C ATOM 1278 O GLU A 77 8.051 5.458 2.315 1.00 0.00 O ATOM 1279 CB GLU A 77 8.926 4.754 5.502 1.00 0.00 C ATOM 1280 CG GLU A 77 9.135 5.925 6.465 1.00 0.00 C ATOM 1281 CD GLU A 77 9.901 7.063 5.786 1.00 0.00 C ATOM 1282 OE1 GLU A 77 10.879 6.809 5.067 1.00 0.00 O ATOM 1283 OE2 GLU A 77 9.446 8.246 6.026 1.00 0.00 O ATOM 0 H GLU A 77 6.769 3.612 5.945 1.00 0.00 H new ATOM 0 HA GLU A 77 7.436 6.032 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.823 3.828 6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.803 4.642 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.169 6.290 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.684 5.585 7.343 1.00 0.00 H new ATOM 1291 N LYS A 78 8.072 3.288 2.955 1.00 0.00 N ATOM 1292 CA LYS A 78 8.331 2.781 1.619 1.00 0.00 C ATOM 1293 C LYS A 78 7.146 3.118 0.711 1.00 0.00 C ATOM 1294 O LYS A 78 7.320 3.722 -0.346 1.00 0.00 O ATOM 1295 CB LYS A 78 8.664 1.289 1.667 1.00 0.00 C ATOM 1296 CG LYS A 78 7.418 0.459 1.986 1.00 0.00 C ATOM 1297 CD LYS A 78 7.781 -1.009 2.217 1.00 0.00 C ATOM 1298 CE LYS A 78 8.723 -1.160 3.413 1.00 0.00 C ATOM 1299 NZ LYS A 78 10.130 -1.231 2.959 1.00 0.00 N ATOM 0 H LYS A 78 7.992 2.570 3.675 1.00 0.00 H new ATOM 0 HA LYS A 78 9.209 3.266 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.080 0.974 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.429 1.108 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.927 0.860 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.705 0.536 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.874 -1.589 2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.255 -1.415 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.596 -0.317 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.469 -2.061 3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.463 -2.215 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.195 -0.896 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.722 -0.632 3.569 1.00 0.00 H new ATOM 1312 N ILE A 79 5.966 2.712 1.158 1.00 0.00 N ATOM 1313 CA ILE A 79 4.752 2.963 0.399 1.00 0.00 C ATOM 1314 C ILE A 79 4.615 4.466 0.148 1.00 0.00 C ATOM 1315 O ILE A 79 4.605 4.908 -1.000 1.00 0.00 O ATOM 1316 CB ILE A 79 3.543 2.344 1.103 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.680 0.823 1.193 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.238 2.763 0.422 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.882 0.269 2.375 1.00 0.00 C ATOM 0 H ILE A 79 5.825 2.211 2.035 1.00 0.00 H new ATOM 0 HA ILE A 79 4.805 2.480 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 79 3.510 2.725 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.329 0.367 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.731 0.555 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.394 2.309 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.143 3.848 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.246 2.430 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.997 -0.814 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.252 0.708 3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.828 0.518 2.251 1.00 0.00 H new ATOM 1331 N ARG A 80 4.512 5.209 1.240 1.00 0.00 N ATOM 1332 CA ARG A 80 4.375 6.653 1.152 1.00 0.00 C ATOM 1333 C ARG A 80 5.410 7.226 0.181 1.00 0.00 C ATOM 1334 O ARG A 80 5.151 8.225 -0.488 1.00 0.00 O ATOM 1335 CB ARG A 80 4.555 7.308 2.523 1.00 0.00 C ATOM 1336 CG ARG A 80 4.374 8.824 2.435 1.00 0.00 C ATOM 1337 CD ARG A 80 4.530 9.476 3.810 1.00 0.00 C ATOM 1338 NE ARG A 80 5.624 10.473 3.776 1.00 0.00 N ATOM 1339 CZ ARG A 80 6.114 11.096 4.869 1.00 0.00 C ATOM 1340 NH1 ARG A 80 5.611 10.830 6.093 1.00 0.00 N ATOM 1341 NH2 ARG A 80 7.092 11.970 4.723 1.00 0.00 N ATOM 0 H ARG A 80 4.521 4.838 2.190 1.00 0.00 H new ATOM 0 HA ARG A 80 3.371 6.869 0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.833 6.892 3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.547 7.079 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.107 9.242 1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.388 9.053 2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.597 9.958 4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.744 8.715 4.560 1.00 0.00 H new ATOM 0 HE ARG A 80 6.033 10.704 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.855 10.154 6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.987 11.305 6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.466 12.166 3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.473 12.449 5.538 1.00 0.00 H new ATOM 1354 N ARG A 81 6.559 6.569 0.136 1.00 0.00 N ATOM 1355 CA ARG A 81 7.634 7.001 -0.741 1.00 0.00 C ATOM 1356 C ARG A 81 7.104 7.225 -2.159 1.00 0.00 C ATOM 1357 O ARG A 81 7.162 8.339 -2.678 1.00 0.00 O ATOM 1358 CB ARG A 81 8.760 5.966 -0.783 1.00 0.00 C ATOM 1359 CG ARG A 81 10.127 6.646 -0.882 1.00 0.00 C ATOM 1360 CD ARG A 81 10.941 6.076 -2.045 1.00 0.00 C ATOM 1361 NE ARG A 81 11.593 4.812 -1.636 1.00 0.00 N ATOM 1362 CZ ARG A 81 12.020 3.867 -2.499 1.00 0.00 C ATOM 1363 NH1 ARG A 81 11.866 4.034 -3.830 1.00 0.00 N ATOM 1364 NH2 ARG A 81 12.589 2.775 -2.022 1.00 0.00 N ATOM 0 H ARG A 81 6.769 5.741 0.693 1.00 0.00 H new ATOM 0 HA ARG A 81 8.030 7.936 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.722 5.346 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.617 5.303 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.994 7.719 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.674 6.508 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.291 5.899 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.694 6.798 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 81 11.728 4.645 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.424 4.880 -4.190 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.192 3.314 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.700 2.656 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.917 2.051 -2.660 1.00 0.00 H new ATOM 1377 N ALA A 82 6.599 6.149 -2.745 1.00 0.00 N ATOM 1378 CA ALA A 82 6.060 6.215 -4.092 1.00 0.00 C ATOM 1379 C ALA A 82 4.930 7.246 -4.135 1.00 0.00 C ATOM 1380 O ALA A 82 4.809 8.000 -5.099 1.00 0.00 O ATOM 1381 CB ALA A 82 5.595 4.823 -4.525 1.00 0.00 C ATOM 0 H ALA A 82 6.552 5.227 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 82 6.827 6.537 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.190 4.873 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.440 4.135 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.823 4.469 -3.842 1.00 0.00 H new TER 1387 ALA A 82