USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 PHE N :NH3+ -175:sc= -0.111 (180deg=-0.197) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -9.37! C(o=-9.4!,f=-7.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -78:sc= -1.05! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= -0.0704 (180deg=-0.643) USER MOD Single : A 29 HIS : no HD1:sc=-0.000376 X(o=-0.00038,f=-0.00038) USER MOD Single : A 33 SER OG : rot 180:sc= -0.311 USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -0.0529 (180deg=-0.887) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= 0.222 (180deg=0.16) USER MOD Single : A 44 MET CE :methyl -114:sc= -0.0287 (180deg=-1.61) USER MOD Single : A 46 ASN : amide:sc= -0.886 K(o=-0.89,f=-2.4!) USER MOD Single : A 47 ASN : amide:sc= -1.72 K(o=-1.7,f=-0.89) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.258 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -127:sc= -1.67 (180deg=-3.81!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0259) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0204 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.347) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.752 36.144 6.696 1.00 0.00 N ATOM 2 CA PHE A 1 5.132 34.871 7.138 1.00 0.00 C ATOM 3 C PHE A 1 5.530 33.737 6.202 1.00 0.00 C ATOM 4 O PHE A 1 5.306 32.580 6.494 1.00 0.00 O ATOM 5 CB PHE A 1 3.600 34.996 7.116 1.00 0.00 C ATOM 6 CG PHE A 1 2.982 33.697 7.639 1.00 0.00 C ATOM 7 CD1 PHE A 1 2.932 33.440 8.998 1.00 0.00 C ATOM 8 CD2 PHE A 1 2.469 32.757 6.758 1.00 0.00 C ATOM 9 CE1 PHE A 1 2.382 32.266 9.467 1.00 0.00 C ATOM 10 CE2 PHE A 1 1.920 31.583 7.234 1.00 0.00 C ATOM 11 CZ PHE A 1 1.877 31.339 8.586 1.00 0.00 C ATOM 0 H1 PHE A 1 5.543 36.891 7.389 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.782 36.021 6.620 1.00 0.00 H new ATOM 0 H3 PHE A 1 5.367 36.414 5.768 1.00 0.00 H new ATOM 0 HA PHE A 1 5.478 34.658 8.149 1.00 0.00 H new ATOM 0 HB2 PHE A 1 3.283 35.838 7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 1 3.254 35.195 6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 1 3.326 34.164 9.696 1.00 0.00 H new ATOM 0 HD2 PHE A 1 2.499 32.944 5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 1 2.348 32.074 10.529 1.00 0.00 H new ATOM 0 HE2 PHE A 1 1.523 30.855 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 1 1.447 30.420 8.956 1.00 0.00 H new ATOM 23 N LYS A 2 6.116 34.087 5.091 1.00 0.00 N ATOM 24 CA LYS A 2 6.531 33.039 4.128 1.00 0.00 C ATOM 25 C LYS A 2 7.637 32.164 4.707 1.00 0.00 C ATOM 26 O LYS A 2 8.254 32.505 5.697 1.00 0.00 O ATOM 27 CB LYS A 2 7.054 33.727 2.857 1.00 0.00 C ATOM 28 CG LYS A 2 5.928 34.565 2.247 1.00 0.00 C ATOM 29 CD LYS A 2 6.311 34.969 0.815 1.00 0.00 C ATOM 30 CE LYS A 2 7.549 35.884 0.844 1.00 0.00 C ATOM 31 NZ LYS A 2 7.580 36.750 -0.369 1.00 0.00 N ATOM 0 H LYS A 2 6.323 35.046 4.813 1.00 0.00 H new ATOM 0 HA LYS A 2 5.673 32.405 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.908 34.360 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.400 32.982 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.999 33.995 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.752 35.454 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.519 34.080 0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.478 35.485 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.531 36.503 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.455 35.280 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.420 37.362 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.618 36.154 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.723 37.339 -0.397 1.00 0.00 H new ATOM 45 N ASP A 3 7.863 31.049 4.073 1.00 0.00 N ATOM 46 CA ASP A 3 8.918 30.124 4.552 1.00 0.00 C ATOM 47 C ASP A 3 9.268 29.109 3.440 1.00 0.00 C ATOM 48 O ASP A 3 8.855 27.965 3.488 1.00 0.00 O ATOM 49 CB ASP A 3 8.366 29.366 5.785 1.00 0.00 C ATOM 50 CG ASP A 3 9.535 28.867 6.642 1.00 0.00 C ATOM 51 OD1 ASP A 3 10.091 29.703 7.335 1.00 0.00 O ATOM 52 OD2 ASP A 3 9.804 27.681 6.553 1.00 0.00 O ATOM 0 H ASP A 3 7.360 30.740 3.241 1.00 0.00 H new ATOM 0 HA ASP A 3 9.817 30.682 4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.725 30.023 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.752 28.525 5.463 1.00 0.00 H new ATOM 57 N PRO A 4 10.030 29.555 2.443 1.00 0.00 N ATOM 58 CA PRO A 4 10.420 28.682 1.332 1.00 0.00 C ATOM 59 C PRO A 4 11.120 27.397 1.797 1.00 0.00 C ATOM 60 O PRO A 4 11.036 26.382 1.135 1.00 0.00 O ATOM 61 CB PRO A 4 11.378 29.551 0.461 1.00 0.00 C ATOM 62 CG PRO A 4 11.278 31.018 1.000 1.00 0.00 C ATOM 63 CD PRO A 4 10.548 30.942 2.362 1.00 0.00 C ATOM 0 HA PRO A 4 9.543 28.337 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.402 29.184 0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.092 29.505 -0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.269 31.456 1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.730 31.650 0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.227 31.158 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.738 31.670 2.417 1.00 0.00 H new ATOM 71 N ASN A 5 11.791 27.452 2.910 1.00 0.00 N ATOM 72 CA ASN A 5 12.471 26.246 3.379 1.00 0.00 C ATOM 73 C ASN A 5 11.463 25.160 3.734 1.00 0.00 C ATOM 74 O ASN A 5 11.387 24.160 3.050 1.00 0.00 O ATOM 75 CB ASN A 5 13.314 26.606 4.623 1.00 0.00 C ATOM 76 CG ASN A 5 12.421 27.192 5.718 1.00 0.00 C ATOM 77 OD1 ASN A 5 11.936 26.488 6.583 1.00 0.00 O ATOM 78 ND2 ASN A 5 12.181 28.473 5.722 1.00 0.00 N ATOM 0 H ASN A 5 11.890 28.277 3.502 1.00 0.00 H new ATOM 0 HA ASN A 5 13.114 25.864 2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.822 25.717 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 5 14.087 27.325 4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.590 28.879 6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.584 29.070 5.000 1.00 0.00 H new ATOM 85 N ALA A 6 10.664 25.420 4.764 1.00 0.00 N ATOM 86 CA ALA A 6 9.621 24.420 5.222 1.00 0.00 C ATOM 87 C ALA A 6 9.147 23.508 4.064 1.00 0.00 C ATOM 88 O ALA A 6 8.191 23.819 3.383 1.00 0.00 O ATOM 89 CB ALA A 6 8.424 25.215 5.742 1.00 0.00 C ATOM 0 H ALA A 6 10.691 26.284 5.306 1.00 0.00 H new ATOM 0 HA ALA A 6 10.055 23.780 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.650 24.527 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.739 25.845 6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.028 25.841 4.942 1.00 0.00 H new ATOM 95 N PRO A 7 9.841 22.381 3.874 1.00 0.00 N ATOM 96 CA PRO A 7 9.518 21.430 2.825 1.00 0.00 C ATOM 97 C PRO A 7 8.621 20.303 3.351 1.00 0.00 C ATOM 98 O PRO A 7 7.904 20.464 4.319 1.00 0.00 O ATOM 99 CB PRO A 7 10.916 20.862 2.497 1.00 0.00 C ATOM 100 CG PRO A 7 11.659 20.851 3.843 1.00 0.00 C ATOM 101 CD PRO A 7 11.016 21.982 4.670 1.00 0.00 C ATOM 0 HA PRO A 7 8.983 21.872 1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.847 19.859 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 7 11.433 21.482 1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.553 19.888 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.727 21.022 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 7 10.727 21.636 5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.705 22.815 4.811 1.00 0.00 H new ATOM 109 N LYS A 8 8.691 19.184 2.688 1.00 0.00 N ATOM 110 CA LYS A 8 7.884 18.000 3.080 1.00 0.00 C ATOM 111 C LYS A 8 8.794 16.786 3.079 1.00 0.00 C ATOM 112 O LYS A 8 9.497 16.541 2.117 1.00 0.00 O ATOM 113 CB LYS A 8 6.789 17.782 2.043 1.00 0.00 C ATOM 114 CG LYS A 8 5.786 18.962 2.064 1.00 0.00 C ATOM 115 CD LYS A 8 4.756 18.760 3.189 1.00 0.00 C ATOM 116 CE LYS A 8 3.660 19.826 3.060 1.00 0.00 C ATOM 117 NZ LYS A 8 2.542 19.553 4.012 1.00 0.00 N ATOM 0 H LYS A 8 9.287 19.039 1.873 1.00 0.00 H new ATOM 0 HA LYS A 8 7.442 18.152 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.231 17.689 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.266 16.848 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.320 19.901 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.277 19.034 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.321 17.763 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.242 18.835 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.080 20.812 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.279 19.841 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.811 20.286 3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.130 18.621 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.906 19.562 4.986 1.00 0.00 H new ATOM 131 N ARG A 9 8.776 16.044 4.139 1.00 0.00 N ATOM 132 CA ARG A 9 9.647 14.841 4.210 1.00 0.00 C ATOM 133 C ARG A 9 8.929 13.591 3.642 1.00 0.00 C ATOM 134 O ARG A 9 7.719 13.500 3.700 1.00 0.00 O ATOM 135 CB ARG A 9 9.976 14.605 5.706 1.00 0.00 C ATOM 136 CG ARG A 9 10.080 15.961 6.431 1.00 0.00 C ATOM 137 CD ARG A 9 10.869 15.783 7.734 1.00 0.00 C ATOM 138 NE ARG A 9 10.140 14.825 8.613 1.00 0.00 N ATOM 139 CZ ARG A 9 10.666 14.468 9.752 1.00 0.00 C ATOM 140 NH1 ARG A 9 11.824 14.962 10.095 1.00 0.00 N ATOM 141 NH2 ARG A 9 10.017 13.629 10.511 1.00 0.00 N ATOM 0 H ARG A 9 8.198 16.214 4.962 1.00 0.00 H new ATOM 0 HA ARG A 9 10.547 15.002 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.201 13.993 6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.914 14.057 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.574 16.691 5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.084 16.348 6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.871 15.411 7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.986 16.742 8.238 1.00 0.00 H new ATOM 0 HE ARG A 9 9.236 14.451 8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.303 15.616 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.250 14.694 10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.113 13.263 10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.413 13.339 11.405 1.00 0.00 H new ATOM 155 N PRO A 10 9.698 12.637 3.091 1.00 0.00 N ATOM 156 CA PRO A 10 9.100 11.429 2.537 1.00 0.00 C ATOM 157 C PRO A 10 8.075 10.816 3.534 1.00 0.00 C ATOM 158 O PRO A 10 8.220 10.973 4.731 1.00 0.00 O ATOM 159 CB PRO A 10 10.306 10.458 2.316 1.00 0.00 C ATOM 160 CG PRO A 10 11.615 11.288 2.560 1.00 0.00 C ATOM 161 CD PRO A 10 11.173 12.711 2.983 1.00 0.00 C ATOM 0 HA PRO A 10 8.552 11.624 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.252 9.613 3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.292 10.049 1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.226 10.827 3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.223 11.325 1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.624 12.999 3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.478 13.454 2.247 1.00 0.00 H new ATOM 169 N PRO A 11 7.048 10.123 3.024 1.00 0.00 N ATOM 170 CA PRO A 11 6.039 9.513 3.890 1.00 0.00 C ATOM 171 C PRO A 11 6.563 8.177 4.443 1.00 0.00 C ATOM 172 O PRO A 11 7.750 8.013 4.649 1.00 0.00 O ATOM 173 CB PRO A 11 4.850 9.282 2.927 1.00 0.00 C ATOM 174 CG PRO A 11 5.480 9.109 1.530 1.00 0.00 C ATOM 175 CD PRO A 11 6.808 9.903 1.571 1.00 0.00 C ATOM 0 HA PRO A 11 5.774 10.121 4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.279 8.398 3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.161 10.126 2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.659 8.057 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.819 9.491 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.623 9.343 1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.726 10.847 1.032 1.00 0.00 H new ATOM 183 N SER A 12 5.674 7.258 4.669 1.00 0.00 N ATOM 184 CA SER A 12 6.094 5.925 5.205 1.00 0.00 C ATOM 185 C SER A 12 6.391 4.968 4.054 1.00 0.00 C ATOM 186 O SER A 12 6.063 5.246 2.922 1.00 0.00 O ATOM 187 CB SER A 12 4.938 5.349 6.053 1.00 0.00 C ATOM 188 OG SER A 12 4.353 6.490 6.662 1.00 0.00 O ATOM 0 H SER A 12 4.672 7.365 4.508 1.00 0.00 H new ATOM 0 HA SER A 12 6.992 6.043 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.218 4.814 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.304 4.643 6.798 1.00 0.00 H new ATOM 0 HG SER A 12 3.600 6.211 7.224 1.00 0.00 H new ATOM 194 N ALA A 13 7.001 3.859 4.360 1.00 0.00 N ATOM 195 CA ALA A 13 7.318 2.890 3.287 1.00 0.00 C ATOM 196 C ALA A 13 6.065 2.325 2.674 1.00 0.00 C ATOM 197 O ALA A 13 5.907 2.307 1.468 1.00 0.00 O ATOM 198 CB ALA A 13 8.111 1.718 3.892 1.00 0.00 C ATOM 0 H ALA A 13 7.290 3.586 5.299 1.00 0.00 H new ATOM 0 HA ALA A 13 7.892 3.410 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.350 0.998 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.034 2.093 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.512 1.232 4.662 1.00 0.00 H new ATOM 204 N PHE A 14 5.191 1.872 3.512 1.00 0.00 N ATOM 205 CA PHE A 14 3.928 1.292 3.004 1.00 0.00 C ATOM 206 C PHE A 14 2.973 2.379 2.501 1.00 0.00 C ATOM 207 O PHE A 14 1.912 2.085 1.998 1.00 0.00 O ATOM 208 CB PHE A 14 3.301 0.429 4.157 1.00 0.00 C ATOM 209 CG PHE A 14 1.851 0.809 4.486 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.539 2.083 4.886 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.847 -0.140 4.405 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.239 2.418 5.203 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.447 0.188 4.720 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.755 1.468 5.119 1.00 0.00 C ATOM 0 H PHE A 14 5.294 1.877 4.527 1.00 0.00 H new ATOM 0 HA PHE A 14 4.123 0.656 2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.337 -0.623 3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.910 0.539 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.317 2.829 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.084 -1.146 4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.001 3.424 5.517 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.224 -0.559 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.774 1.728 5.366 1.00 0.00 H new ATOM 224 N PHE A 15 3.322 3.614 2.691 1.00 0.00 N ATOM 225 CA PHE A 15 2.410 4.667 2.199 1.00 0.00 C ATOM 226 C PHE A 15 2.588 4.732 0.711 1.00 0.00 C ATOM 227 O PHE A 15 1.661 4.946 -0.036 1.00 0.00 O ATOM 228 CB PHE A 15 2.779 6.017 2.811 1.00 0.00 C ATOM 229 CG PHE A 15 1.688 7.025 2.437 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.390 6.857 2.893 1.00 0.00 C ATOM 231 CD2 PHE A 15 1.974 8.094 1.611 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.600 7.742 2.525 1.00 0.00 C ATOM 233 CE2 PHE A 15 0.980 8.979 1.244 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.305 8.802 1.700 1.00 0.00 C ATOM 0 H PHE A 15 4.174 3.933 3.152 1.00 0.00 H new ATOM 0 HA PHE A 15 1.379 4.441 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.864 5.933 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.748 6.351 2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.153 6.027 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.981 8.239 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.609 7.603 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.212 9.812 0.597 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.082 9.494 1.411 1.00 0.00 H new ATOM 244 N LEU A 16 3.806 4.537 0.311 1.00 0.00 N ATOM 245 CA LEU A 16 4.115 4.567 -1.117 1.00 0.00 C ATOM 246 C LEU A 16 3.431 3.394 -1.759 1.00 0.00 C ATOM 247 O LEU A 16 3.181 3.368 -2.947 1.00 0.00 O ATOM 248 CB LEU A 16 5.632 4.389 -1.282 1.00 0.00 C ATOM 249 CG LEU A 16 6.375 5.407 -0.418 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.868 5.067 -0.433 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.159 6.813 -0.978 1.00 0.00 C ATOM 0 H LEU A 16 4.600 4.357 0.925 1.00 0.00 H new ATOM 0 HA LEU A 16 3.788 5.504 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.921 3.378 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.910 4.516 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 16 5.998 5.373 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.411 5.786 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.017 4.064 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.240 5.109 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.690 7.537 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.538 6.860 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.094 7.046 -0.976 1.00 0.00 H new ATOM 263 N PHE A 17 3.142 2.432 -0.930 1.00 0.00 N ATOM 264 CA PHE A 17 2.474 1.217 -1.401 1.00 0.00 C ATOM 265 C PHE A 17 0.981 1.470 -1.484 1.00 0.00 C ATOM 266 O PHE A 17 0.317 1.013 -2.391 1.00 0.00 O ATOM 267 CB PHE A 17 2.791 0.141 -0.368 1.00 0.00 C ATOM 268 CG PHE A 17 2.002 -1.112 -0.607 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.743 -1.245 -0.061 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.574 -2.181 -1.259 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.071 -2.433 -0.156 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.898 -3.369 -1.356 1.00 0.00 C ATOM 273 CZ PHE A 17 0.646 -3.492 -0.799 1.00 0.00 C ATOM 0 H PHE A 17 3.349 2.449 0.069 1.00 0.00 H new ATOM 0 HA PHE A 17 2.810 0.912 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.856 -0.089 -0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.575 0.521 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.285 -0.407 0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.557 -2.083 -1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.913 -2.533 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.347 -4.207 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.116 -4.430 -0.871 1.00 0.00 H new ATOM 283 N CYS A 18 0.469 2.203 -0.523 1.00 0.00 N ATOM 284 CA CYS A 18 -0.976 2.503 -0.534 1.00 0.00 C ATOM 285 C CYS A 18 -1.403 2.979 -1.915 1.00 0.00 C ATOM 286 O CYS A 18 -2.278 2.411 -2.522 1.00 0.00 O ATOM 287 CB CYS A 18 -1.257 3.635 0.491 1.00 0.00 C ATOM 288 SG CYS A 18 -0.980 5.346 -0.035 1.00 0.00 S ATOM 0 H CYS A 18 0.994 2.598 0.257 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.532 1.602 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.296 3.547 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.638 3.451 1.369 1.00 0.00 H new ATOM 0 HG CYS A 18 0.294 5.606 -0.014 1.00 0.00 H new ATOM 294 N SER A 19 -0.744 4.002 -2.393 1.00 0.00 N ATOM 295 CA SER A 19 -1.082 4.543 -3.728 1.00 0.00 C ATOM 296 C SER A 19 -1.119 3.441 -4.773 1.00 0.00 C ATOM 297 O SER A 19 -1.934 3.463 -5.673 1.00 0.00 O ATOM 298 CB SER A 19 -0.001 5.561 -4.119 1.00 0.00 C ATOM 299 OG SER A 19 -0.550 6.239 -5.238 1.00 0.00 O ATOM 0 H SER A 19 0.015 4.483 -1.910 1.00 0.00 H new ATOM 0 HA SER A 19 -2.067 5.007 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.212 6.250 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.937 5.068 -4.373 1.00 0.00 H new ATOM 0 HG SER A 19 0.084 6.916 -5.553 1.00 0.00 H new ATOM 305 N GLU A 20 -0.233 2.495 -4.637 1.00 0.00 N ATOM 306 CA GLU A 20 -0.201 1.389 -5.614 1.00 0.00 C ATOM 307 C GLU A 20 -1.362 0.418 -5.390 1.00 0.00 C ATOM 308 O GLU A 20 -2.130 0.156 -6.293 1.00 0.00 O ATOM 309 CB GLU A 20 1.140 0.630 -5.452 1.00 0.00 C ATOM 310 CG GLU A 20 1.129 -0.649 -6.310 1.00 0.00 C ATOM 311 CD GLU A 20 0.692 -0.313 -7.738 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.198 0.676 -8.241 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.122 -1.067 -8.245 1.00 0.00 O ATOM 0 H GLU A 20 0.464 2.445 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.295 1.802 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.969 1.271 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.298 0.374 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.122 -1.099 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.450 -1.383 -5.876 1.00 0.00 H new ATOM 320 N TYR A 21 -1.467 -0.109 -4.190 1.00 0.00 N ATOM 321 CA TYR A 21 -2.567 -1.062 -3.900 1.00 0.00 C ATOM 322 C TYR A 21 -3.847 -0.352 -3.494 1.00 0.00 C ATOM 323 O TYR A 21 -4.695 -0.924 -2.847 1.00 0.00 O ATOM 324 CB TYR A 21 -2.103 -1.996 -2.767 1.00 0.00 C ATOM 325 CG TYR A 21 -1.254 -3.119 -3.361 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.090 -2.931 -3.584 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.824 -4.333 -3.682 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.859 -3.946 -4.122 1.00 0.00 C ATOM 329 CE2 TYR A 21 -1.059 -5.348 -4.218 1.00 0.00 C ATOM 330 CZ TYR A 21 0.289 -5.163 -4.444 1.00 0.00 C ATOM 331 OH TYR A 21 1.055 -6.179 -4.979 1.00 0.00 O ATOM 0 H TYR A 21 -0.839 0.084 -3.410 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.791 -1.626 -4.805 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.525 -1.437 -2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.965 -2.412 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.548 -1.984 -3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.879 -4.490 -3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.914 -3.787 -4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.519 -6.294 -4.462 1.00 0.00 H new ATOM 0 HH TYR A 21 0.490 -6.963 -5.143 1.00 0.00 H new ATOM 341 N ARG A 22 -3.961 0.884 -3.874 1.00 0.00 N ATOM 342 CA ARG A 22 -5.191 1.649 -3.522 1.00 0.00 C ATOM 343 C ARG A 22 -6.287 1.397 -4.589 1.00 0.00 C ATOM 344 O ARG A 22 -7.365 0.946 -4.258 1.00 0.00 O ATOM 345 CB ARG A 22 -4.865 3.184 -3.411 1.00 0.00 C ATOM 346 CG ARG A 22 -4.869 3.613 -1.923 1.00 0.00 C ATOM 347 CD ARG A 22 -4.338 5.054 -1.795 1.00 0.00 C ATOM 348 NE ARG A 22 -4.946 5.685 -0.590 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.216 5.991 -0.596 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.922 5.734 -1.664 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.739 6.539 0.467 1.00 0.00 N ATOM 0 H ARG A 22 -3.263 1.399 -4.410 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.560 1.309 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.892 3.392 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.601 3.763 -3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.880 3.551 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.250 2.934 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.251 5.050 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.586 5.628 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.375 5.877 0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.480 5.301 -2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.915 5.966 -1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.158 6.722 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.729 6.784 0.480 1.00 0.00 H new ATOM 365 N PRO A 23 -5.998 1.698 -5.871 1.00 0.00 N ATOM 366 CA PRO A 23 -6.987 1.479 -6.921 1.00 0.00 C ATOM 367 C PRO A 23 -7.308 -0.014 -7.047 1.00 0.00 C ATOM 368 O PRO A 23 -8.395 -0.383 -7.421 1.00 0.00 O ATOM 369 CB PRO A 23 -6.312 1.998 -8.229 1.00 0.00 C ATOM 370 CG PRO A 23 -4.821 2.290 -7.881 1.00 0.00 C ATOM 371 CD PRO A 23 -4.715 2.284 -6.338 1.00 0.00 C ATOM 0 HA PRO A 23 -7.926 1.992 -6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.385 1.255 -9.023 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.809 2.899 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.167 1.535 -8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.510 3.253 -8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.864 1.691 -6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.575 3.292 -5.947 1.00 0.00 H new ATOM 379 N LYS A 24 -6.348 -0.845 -6.727 1.00 0.00 N ATOM 380 CA LYS A 24 -6.589 -2.291 -6.825 1.00 0.00 C ATOM 381 C LYS A 24 -7.818 -2.654 -6.033 1.00 0.00 C ATOM 382 O LYS A 24 -8.772 -3.191 -6.559 1.00 0.00 O ATOM 383 CB LYS A 24 -5.382 -3.029 -6.227 1.00 0.00 C ATOM 384 CG LYS A 24 -4.108 -2.666 -7.002 1.00 0.00 C ATOM 385 CD LYS A 24 -4.207 -3.187 -8.452 1.00 0.00 C ATOM 386 CE LYS A 24 -2.800 -3.318 -9.044 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.866 -3.889 -10.416 1.00 0.00 N ATOM 0 H LYS A 24 -5.419 -0.574 -6.406 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.732 -2.570 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.267 -2.763 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.547 -4.106 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.969 -1.585 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.237 -3.099 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.712 -4.153 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.805 -2.504 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.318 -2.341 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.188 -3.956 -8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.905 -3.972 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.307 -4.830 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.433 -3.265 -11.025 1.00 0.00 H new ATOM 401 N ILE A 25 -7.775 -2.348 -4.771 1.00 0.00 N ATOM 402 CA ILE A 25 -8.924 -2.658 -3.903 1.00 0.00 C ATOM 403 C ILE A 25 -10.009 -1.601 -4.091 1.00 0.00 C ATOM 404 O ILE A 25 -11.122 -1.913 -4.460 1.00 0.00 O ATOM 405 CB ILE A 25 -8.448 -2.662 -2.406 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.089 -1.964 -2.277 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.286 -4.124 -1.932 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.745 -1.740 -0.790 1.00 0.00 C ATOM 0 H ILE A 25 -6.988 -1.895 -4.307 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.328 -3.636 -4.164 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.188 -2.137 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.315 -2.568 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.111 -1.008 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.956 -4.135 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.242 -4.641 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.546 -4.628 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.778 -1.244 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.511 -1.117 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.702 -2.701 -0.278 1.00 0.00 H new ATOM 420 N LYS A 26 -9.656 -0.362 -3.851 1.00 0.00 N ATOM 421 CA LYS A 26 -10.651 0.715 -4.009 1.00 0.00 C ATOM 422 C LYS A 26 -11.346 0.573 -5.348 1.00 0.00 C ATOM 423 O LYS A 26 -12.486 0.965 -5.510 1.00 0.00 O ATOM 424 CB LYS A 26 -9.924 2.077 -3.938 1.00 0.00 C ATOM 425 CG LYS A 26 -10.963 3.221 -3.883 1.00 0.00 C ATOM 426 CD LYS A 26 -11.477 3.396 -2.441 1.00 0.00 C ATOM 427 CE LYS A 26 -12.310 4.675 -2.362 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.448 5.870 -2.584 1.00 0.00 N ATOM 0 H LYS A 26 -8.727 -0.062 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.396 0.653 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.283 2.112 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.278 2.201 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.512 4.150 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.796 3.000 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.079 2.536 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.639 3.449 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.103 4.647 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.793 4.743 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.881 6.700 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.508 5.701 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.352 6.044 -3.605 1.00 0.00 H new ATOM 442 N GLY A 27 -10.643 0.007 -6.291 1.00 0.00 N ATOM 443 CA GLY A 27 -11.248 -0.176 -7.624 1.00 0.00 C ATOM 444 C GLY A 27 -12.424 -1.115 -7.478 1.00 0.00 C ATOM 445 O GLY A 27 -13.540 -0.790 -7.826 1.00 0.00 O ATOM 0 H GLY A 27 -9.686 -0.331 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.573 0.782 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.517 -0.586 -8.321 1.00 0.00 H new ATOM 449 N GLU A 28 -12.136 -2.277 -6.962 1.00 0.00 N ATOM 450 CA GLU A 28 -13.185 -3.268 -6.767 1.00 0.00 C ATOM 451 C GLU A 28 -14.043 -2.853 -5.587 1.00 0.00 C ATOM 452 O GLU A 28 -15.036 -3.477 -5.274 1.00 0.00 O ATOM 453 CB GLU A 28 -12.513 -4.607 -6.455 1.00 0.00 C ATOM 454 CG GLU A 28 -11.946 -5.197 -7.745 1.00 0.00 C ATOM 455 CD GLU A 28 -11.411 -6.603 -7.469 1.00 0.00 C ATOM 456 OE1 GLU A 28 -10.743 -6.738 -6.457 1.00 0.00 O ATOM 457 OE2 GLU A 28 -11.700 -7.462 -8.285 1.00 0.00 O ATOM 0 H GLU A 28 -11.203 -2.569 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.808 -3.351 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.716 -4.466 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.234 -5.295 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.720 -5.235 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.148 -4.561 -8.129 1.00 0.00 H new ATOM 464 N HIS A 29 -13.624 -1.786 -4.946 1.00 0.00 N ATOM 465 CA HIS A 29 -14.364 -1.261 -3.770 1.00 0.00 C ATOM 466 C HIS A 29 -14.452 0.274 -3.844 1.00 0.00 C ATOM 467 O HIS A 29 -13.837 0.967 -3.059 1.00 0.00 O ATOM 468 CB HIS A 29 -13.564 -1.634 -2.516 1.00 0.00 C ATOM 469 CG HIS A 29 -13.715 -3.127 -2.223 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.633 -3.623 -1.546 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.910 -4.195 -2.591 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.511 -4.877 -1.442 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.436 -5.340 -2.080 1.00 0.00 N ATOM 0 H HIS A 29 -12.790 -1.256 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.370 -1.680 -3.747 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.512 -1.388 -2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.914 -1.051 -1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.012 -4.128 -3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.201 -5.504 -0.897 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.098 -6.299 -2.163 1.00 0.00 H new ATOM 481 N PRO A 30 -15.225 0.781 -4.802 1.00 0.00 N ATOM 482 CA PRO A 30 -15.381 2.226 -4.966 1.00 0.00 C ATOM 483 C PRO A 30 -16.144 2.841 -3.781 1.00 0.00 C ATOM 484 O PRO A 30 -17.280 3.255 -3.906 1.00 0.00 O ATOM 485 CB PRO A 30 -16.185 2.389 -6.305 1.00 0.00 C ATOM 486 CG PRO A 30 -16.627 0.952 -6.752 1.00 0.00 C ATOM 487 CD PRO A 30 -15.979 -0.051 -5.761 1.00 0.00 C ATOM 0 HA PRO A 30 -14.421 2.742 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.053 3.031 -6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.568 2.858 -7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.713 0.861 -6.738 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.303 0.749 -7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.737 -0.648 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.321 -0.747 -6.280 1.00 0.00 H new ATOM 495 N GLY A 31 -15.501 2.885 -2.645 1.00 0.00 N ATOM 496 CA GLY A 31 -16.181 3.468 -1.456 1.00 0.00 C ATOM 497 C GLY A 31 -15.501 3.040 -0.151 1.00 0.00 C ATOM 498 O GLY A 31 -16.135 2.990 0.881 1.00 0.00 O ATOM 0 H GLY A 31 -14.551 2.548 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.176 4.555 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.225 3.154 -1.443 1.00 0.00 H new ATOM 502 N LEU A 32 -14.225 2.737 -0.207 1.00 0.00 N ATOM 503 CA LEU A 32 -13.548 2.322 1.049 1.00 0.00 C ATOM 504 C LEU A 32 -13.365 3.511 1.954 1.00 0.00 C ATOM 505 O LEU A 32 -13.292 4.639 1.508 1.00 0.00 O ATOM 506 CB LEU A 32 -12.101 1.798 0.761 1.00 0.00 C ATOM 507 CG LEU A 32 -12.066 0.401 0.123 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.608 -0.109 0.191 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.956 -0.572 0.908 1.00 0.00 C ATOM 0 H LEU A 32 -13.643 2.759 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.170 1.548 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.594 2.502 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.540 1.775 1.695 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.426 0.459 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.549 -1.102 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.958 0.574 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.288 -0.159 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.919 -1.556 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.599 -0.644 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.983 -0.208 0.906 1.00 0.00 H new ATOM 521 N SER A 33 -13.294 3.237 3.220 1.00 0.00 N ATOM 522 CA SER A 33 -13.106 4.318 4.188 1.00 0.00 C ATOM 523 C SER A 33 -11.619 4.442 4.429 1.00 0.00 C ATOM 524 O SER A 33 -10.932 3.442 4.492 1.00 0.00 O ATOM 525 CB SER A 33 -13.804 3.946 5.502 1.00 0.00 C ATOM 526 OG SER A 33 -13.449 2.589 5.715 1.00 0.00 O ATOM 0 H SER A 33 -13.360 2.301 3.619 1.00 0.00 H new ATOM 0 HA SER A 33 -13.523 5.255 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.469 4.579 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.885 4.068 5.427 1.00 0.00 H new ATOM 0 HG SER A 33 -13.858 2.270 6.546 1.00 0.00 H new ATOM 532 N ILE A 34 -11.131 5.643 4.550 1.00 0.00 N ATOM 533 CA ILE A 34 -9.663 5.809 4.786 1.00 0.00 C ATOM 534 C ILE A 34 -9.155 4.777 5.775 1.00 0.00 C ATOM 535 O ILE A 34 -7.999 4.408 5.760 1.00 0.00 O ATOM 536 CB ILE A 34 -9.418 7.214 5.337 1.00 0.00 C ATOM 537 CG1 ILE A 34 -9.996 8.245 4.359 1.00 0.00 C ATOM 538 CG2 ILE A 34 -7.892 7.447 5.461 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.753 9.670 4.888 1.00 0.00 C ATOM 0 H ILE A 34 -11.671 6.507 4.498 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.129 5.669 3.846 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.894 7.316 6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.532 8.128 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.065 8.075 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.707 8.447 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.465 6.707 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.428 7.351 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.167 10.394 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.238 9.786 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.682 9.841 4.995 1.00 0.00 H new ATOM 551 N GLY A 35 -10.031 4.331 6.615 1.00 0.00 N ATOM 552 CA GLY A 35 -9.626 3.318 7.612 1.00 0.00 C ATOM 553 C GLY A 35 -9.464 1.963 6.913 1.00 0.00 C ATOM 554 O GLY A 35 -8.442 1.324 7.026 1.00 0.00 O ATOM 0 H GLY A 35 -11.008 4.622 6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.689 3.611 8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.374 3.247 8.401 1.00 0.00 H new ATOM 558 N ASP A 36 -10.478 1.566 6.181 1.00 0.00 N ATOM 559 CA ASP A 36 -10.406 0.269 5.470 1.00 0.00 C ATOM 560 C ASP A 36 -9.250 0.252 4.511 1.00 0.00 C ATOM 561 O ASP A 36 -8.555 -0.736 4.370 1.00 0.00 O ATOM 562 CB ASP A 36 -11.706 0.092 4.662 1.00 0.00 C ATOM 563 CG ASP A 36 -11.938 -1.396 4.382 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.988 -2.017 3.936 1.00 0.00 O ATOM 565 OD2 ASP A 36 -13.053 -1.825 4.630 1.00 0.00 O ATOM 0 H ASP A 36 -11.345 2.088 6.051 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.275 -0.531 6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.549 0.504 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.641 0.643 3.724 1.00 0.00 H new ATOM 570 N VAL A 37 -9.071 1.344 3.864 1.00 0.00 N ATOM 571 CA VAL A 37 -7.980 1.438 2.906 1.00 0.00 C ATOM 572 C VAL A 37 -6.664 1.136 3.583 1.00 0.00 C ATOM 573 O VAL A 37 -6.019 0.154 3.298 1.00 0.00 O ATOM 574 CB VAL A 37 -7.939 2.889 2.374 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.738 3.048 1.441 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.235 3.193 1.616 1.00 0.00 C ATOM 0 H VAL A 37 -9.642 2.183 3.961 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.137 0.724 2.098 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.844 3.585 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.704 4.070 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.821 2.833 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.832 2.355 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.206 4.216 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.337 2.503 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.085 3.077 2.288 1.00 0.00 H new ATOM 586 N ALA A 38 -6.320 1.972 4.491 1.00 0.00 N ATOM 587 CA ALA A 38 -5.056 1.790 5.219 1.00 0.00 C ATOM 588 C ALA A 38 -5.002 0.468 5.997 1.00 0.00 C ATOM 589 O ALA A 38 -3.931 -0.047 6.251 1.00 0.00 O ATOM 590 CB ALA A 38 -4.920 2.962 6.178 1.00 0.00 C ATOM 0 H ALA A 38 -6.866 2.788 4.767 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.236 1.753 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.991 2.866 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.907 3.894 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.764 2.967 6.868 1.00 0.00 H new ATOM 596 N LYS A 39 -6.144 -0.070 6.365 1.00 0.00 N ATOM 597 CA LYS A 39 -6.119 -1.352 7.120 1.00 0.00 C ATOM 598 C LYS A 39 -5.784 -2.515 6.184 1.00 0.00 C ATOM 599 O LYS A 39 -4.827 -3.232 6.396 1.00 0.00 O ATOM 600 CB LYS A 39 -7.527 -1.583 7.770 1.00 0.00 C ATOM 601 CG LYS A 39 -7.496 -1.168 9.262 1.00 0.00 C ATOM 602 CD LYS A 39 -7.378 0.368 9.372 1.00 0.00 C ATOM 603 CE LYS A 39 -6.755 0.743 10.724 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.224 -0.186 11.789 1.00 0.00 N ATOM 0 H LYS A 39 -7.069 0.317 6.178 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.354 -1.302 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.282 -1.003 7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.810 -2.632 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.401 -1.510 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.654 -1.644 9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.765 0.755 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.362 0.826 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.668 0.706 10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.023 1.767 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.148 0.281 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.216 -0.445 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.636 -1.044 11.785 1.00 0.00 H new ATOM 618 N LYS A 40 -6.577 -2.672 5.173 1.00 0.00 N ATOM 619 CA LYS A 40 -6.334 -3.770 4.213 1.00 0.00 C ATOM 620 C LYS A 40 -4.931 -3.677 3.642 1.00 0.00 C ATOM 621 O LYS A 40 -4.270 -4.670 3.439 1.00 0.00 O ATOM 622 CB LYS A 40 -7.351 -3.636 3.064 1.00 0.00 C ATOM 623 CG LYS A 40 -7.456 -4.979 2.305 1.00 0.00 C ATOM 624 CD LYS A 40 -8.506 -5.879 2.978 1.00 0.00 C ATOM 625 CE LYS A 40 -8.322 -7.320 2.494 1.00 0.00 C ATOM 626 NZ LYS A 40 -7.158 -7.954 3.179 1.00 0.00 N ATOM 0 H LYS A 40 -7.386 -2.085 4.969 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.441 -4.728 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.327 -3.353 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.042 -2.844 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.731 -4.799 1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.487 -5.479 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.402 -5.831 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.510 -5.528 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.226 -7.895 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.167 -7.331 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.137 -8.970 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.277 -7.510 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.248 -7.825 4.207 1.00 0.00 H new ATOM 640 N LEU A 41 -4.510 -2.494 3.366 1.00 0.00 N ATOM 641 CA LEU A 41 -3.161 -2.341 2.814 1.00 0.00 C ATOM 642 C LEU A 41 -2.148 -2.828 3.805 1.00 0.00 C ATOM 643 O LEU A 41 -1.156 -3.432 3.447 1.00 0.00 O ATOM 644 CB LEU A 41 -2.898 -0.859 2.556 1.00 0.00 C ATOM 645 CG LEU A 41 -3.784 -0.356 1.413 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.784 1.169 1.451 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.219 -0.834 0.057 1.00 0.00 C ATOM 0 H LEU A 41 -5.038 -1.631 3.498 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.084 -2.916 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.097 -0.284 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.848 -0.707 2.306 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.796 -0.744 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.409 1.553 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.177 1.509 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.765 1.536 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.855 -0.472 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.209 -0.445 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.193 -1.924 0.037 1.00 0.00 H new ATOM 659 N GLY A 42 -2.412 -2.560 5.037 1.00 0.00 N ATOM 660 CA GLY A 42 -1.477 -2.996 6.076 1.00 0.00 C ATOM 661 C GLY A 42 -1.331 -4.518 6.023 1.00 0.00 C ATOM 662 O GLY A 42 -0.293 -5.061 6.346 1.00 0.00 O ATOM 0 H GLY A 42 -3.236 -2.057 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.507 -2.521 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.838 -2.688 7.057 1.00 0.00 H new ATOM 666 N GLU A 43 -2.390 -5.173 5.609 1.00 0.00 N ATOM 667 CA GLU A 43 -2.359 -6.643 5.519 1.00 0.00 C ATOM 668 C GLU A 43 -1.533 -7.093 4.305 1.00 0.00 C ATOM 669 O GLU A 43 -0.601 -7.860 4.441 1.00 0.00 O ATOM 670 CB GLU A 43 -3.835 -7.140 5.372 1.00 0.00 C ATOM 671 CG GLU A 43 -4.390 -7.516 6.755 1.00 0.00 C ATOM 672 CD GLU A 43 -5.798 -8.096 6.600 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.015 -8.729 5.579 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.577 -7.876 7.513 1.00 0.00 O ATOM 0 H GLU A 43 -3.271 -4.740 5.332 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.896 -7.063 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.449 -6.360 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.875 -8.002 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.736 -8.244 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.416 -6.637 7.399 1.00 0.00 H new ATOM 681 N MET A 44 -1.889 -6.609 3.144 1.00 0.00 N ATOM 682 CA MET A 44 -1.124 -7.009 1.933 1.00 0.00 C ATOM 683 C MET A 44 0.339 -6.640 2.090 1.00 0.00 C ATOM 684 O MET A 44 1.213 -7.460 1.911 1.00 0.00 O ATOM 685 CB MET A 44 -1.713 -6.278 0.709 1.00 0.00 C ATOM 686 CG MET A 44 -3.008 -6.980 0.300 1.00 0.00 C ATOM 687 SD MET A 44 -3.991 -6.220 -1.017 1.00 0.00 S ATOM 688 CE MET A 44 -4.633 -4.805 -0.074 1.00 0.00 C ATOM 0 H MET A 44 -2.664 -5.965 2.985 1.00 0.00 H new ATOM 0 HA MET A 44 -1.199 -8.088 1.797 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.909 -5.233 0.950 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.001 -6.287 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.757 -7.994 -0.010 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.639 -7.064 1.185 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.713 -4.902 0.037 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.167 -4.783 0.911 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.404 -3.881 -0.604 1.00 0.00 H new ATOM 698 N TRP A 45 0.583 -5.415 2.417 1.00 0.00 N ATOM 699 CA TRP A 45 1.983 -4.974 2.593 1.00 0.00 C ATOM 700 C TRP A 45 2.721 -5.943 3.484 1.00 0.00 C ATOM 701 O TRP A 45 3.733 -6.500 3.113 1.00 0.00 O ATOM 702 CB TRP A 45 1.938 -3.616 3.284 1.00 0.00 C ATOM 703 CG TRP A 45 3.330 -3.184 3.746 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.689 -3.103 5.015 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.269 -2.712 2.963 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.898 -2.542 4.971 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.344 -2.256 3.701 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.269 -2.571 1.598 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.405 -1.657 3.071 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.335 -1.970 0.967 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.397 -1.511 1.705 1.00 0.00 C ATOM 0 H TRP A 45 -0.125 -4.697 2.571 1.00 0.00 H new ATOM 0 HA TRP A 45 2.491 -4.922 1.630 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.531 -2.871 2.601 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.266 -3.663 4.141 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.133 -3.418 5.885 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.446 -2.342 5.808 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.432 -2.932 1.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.246 -1.301 3.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.335 -1.860 -0.107 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.230 -1.033 1.210 1.00 0.00 H new ATOM 722 N ASN A 46 2.198 -6.112 4.648 1.00 0.00 N ATOM 723 CA ASN A 46 2.829 -7.038 5.611 1.00 0.00 C ATOM 724 C ASN A 46 3.188 -8.354 4.924 1.00 0.00 C ATOM 725 O ASN A 46 4.236 -8.921 5.167 1.00 0.00 O ATOM 726 CB ASN A 46 1.814 -7.324 6.739 1.00 0.00 C ATOM 727 CG ASN A 46 1.859 -6.191 7.768 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.441 -5.150 7.539 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.256 -6.355 8.914 1.00 0.00 N ATOM 0 H ASN A 46 1.354 -5.647 4.981 1.00 0.00 H new ATOM 0 HA ASN A 46 3.739 -6.588 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.810 -7.413 6.325 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.046 -8.275 7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.275 -5.611 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.766 -7.227 9.112 1.00 0.00 H new ATOM 736 N ASN A 47 2.310 -8.811 4.075 1.00 0.00 N ATOM 737 CA ASN A 47 2.579 -10.075 3.369 1.00 0.00 C ATOM 738 C ASN A 47 3.702 -9.899 2.352 1.00 0.00 C ATOM 739 O ASN A 47 4.396 -10.841 2.022 1.00 0.00 O ATOM 740 CB ASN A 47 1.301 -10.499 2.633 1.00 0.00 C ATOM 741 CG ASN A 47 0.141 -10.571 3.629 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.310 -10.946 4.772 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.053 -10.221 3.234 1.00 0.00 N ATOM 0 H ASN A 47 1.424 -8.360 3.846 1.00 0.00 H new ATOM 0 HA ASN A 47 2.882 -10.832 4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.071 -9.786 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.447 -11.469 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.838 -10.263 3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.201 -9.905 2.275 1.00 0.00 H new ATOM 750 N THR A 48 3.858 -8.693 1.873 1.00 0.00 N ATOM 751 CA THR A 48 4.928 -8.430 0.878 1.00 0.00 C ATOM 752 C THR A 48 6.294 -8.807 1.444 1.00 0.00 C ATOM 753 O THR A 48 6.639 -8.428 2.547 1.00 0.00 O ATOM 754 CB THR A 48 4.916 -6.926 0.554 1.00 0.00 C ATOM 755 OG1 THR A 48 3.561 -6.606 0.308 1.00 0.00 O ATOM 756 CG2 THR A 48 5.629 -6.627 -0.777 1.00 0.00 C ATOM 0 H THR A 48 3.291 -7.884 2.129 1.00 0.00 H new ATOM 0 HA THR A 48 4.748 -9.026 -0.017 1.00 0.00 H new ATOM 0 HB THR A 48 5.394 -6.379 1.367 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.510 -5.771 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.600 -5.555 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.666 -6.957 -0.716 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.126 -7.157 -1.586 1.00 0.00 H new ATOM 764 N ALA A 49 7.050 -9.545 0.679 1.00 0.00 N ATOM 765 CA ALA A 49 8.390 -9.956 1.152 1.00 0.00 C ATOM 766 C ALA A 49 9.296 -8.748 1.348 1.00 0.00 C ATOM 767 O ALA A 49 9.001 -7.666 0.888 1.00 0.00 O ATOM 768 CB ALA A 49 9.014 -10.876 0.091 1.00 0.00 C ATOM 0 H ALA A 49 6.794 -9.878 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 49 8.287 -10.469 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.004 -11.191 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.381 -11.753 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.100 -10.337 -0.853 1.00 0.00 H new ATOM 774 N ALA A 50 10.386 -8.952 2.038 1.00 0.00 N ATOM 775 CA ALA A 50 11.312 -7.830 2.270 1.00 0.00 C ATOM 776 C ALA A 50 11.958 -7.384 0.951 1.00 0.00 C ATOM 777 O ALA A 50 12.012 -6.210 0.649 1.00 0.00 O ATOM 778 CB ALA A 50 12.409 -8.298 3.258 1.00 0.00 C ATOM 0 H ALA A 50 10.666 -9.845 2.445 1.00 0.00 H new ATOM 0 HA ALA A 50 10.764 -6.984 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.105 -7.480 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.947 -8.601 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.948 -9.143 2.830 1.00 0.00 H new ATOM 784 N ASP A 51 12.436 -8.339 0.195 1.00 0.00 N ATOM 785 CA ASP A 51 13.074 -7.998 -1.097 1.00 0.00 C ATOM 786 C ASP A 51 12.056 -7.400 -2.061 1.00 0.00 C ATOM 787 O ASP A 51 12.410 -6.778 -3.041 1.00 0.00 O ATOM 788 CB ASP A 51 13.638 -9.293 -1.711 1.00 0.00 C ATOM 789 CG ASP A 51 14.635 -8.937 -2.814 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.189 -8.329 -3.772 1.00 0.00 O ATOM 791 OD2 ASP A 51 15.788 -9.295 -2.637 1.00 0.00 O ATOM 0 H ASP A 51 12.409 -9.333 0.421 1.00 0.00 H new ATOM 0 HA ASP A 51 13.864 -7.266 -0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.127 -9.891 -0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.828 -9.899 -2.118 1.00 0.00 H new ATOM 796 N ASP A 52 10.806 -7.606 -1.761 1.00 0.00 N ATOM 797 CA ASP A 52 9.731 -7.065 -2.638 1.00 0.00 C ATOM 798 C ASP A 52 9.443 -5.598 -2.315 1.00 0.00 C ATOM 799 O ASP A 52 8.777 -4.915 -3.067 1.00 0.00 O ATOM 800 CB ASP A 52 8.460 -7.883 -2.376 1.00 0.00 C ATOM 801 CG ASP A 52 8.557 -9.227 -3.100 1.00 0.00 C ATOM 802 OD1 ASP A 52 9.681 -9.607 -3.387 1.00 0.00 O ATOM 803 OD2 ASP A 52 7.503 -9.797 -3.323 1.00 0.00 O ATOM 0 H ASP A 52 10.481 -8.126 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 52 10.047 -7.132 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.333 -8.043 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.584 -7.334 -2.722 1.00 0.00 H new ATOM 808 N LYS A 53 9.943 -5.146 -1.195 1.00 0.00 N ATOM 809 CA LYS A 53 9.714 -3.731 -0.800 1.00 0.00 C ATOM 810 C LYS A 53 10.775 -2.828 -1.412 1.00 0.00 C ATOM 811 O LYS A 53 10.653 -1.620 -1.413 1.00 0.00 O ATOM 812 CB LYS A 53 9.802 -3.655 0.726 1.00 0.00 C ATOM 813 CG LYS A 53 8.539 -4.290 1.317 1.00 0.00 C ATOM 814 CD LYS A 53 8.649 -4.335 2.841 1.00 0.00 C ATOM 815 CE LYS A 53 7.405 -5.028 3.405 1.00 0.00 C ATOM 816 NZ LYS A 53 7.436 -5.035 4.894 1.00 0.00 N ATOM 0 H LYS A 53 10.498 -5.696 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 53 8.738 -3.399 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.690 -4.177 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.892 -2.618 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.660 -3.716 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.408 -5.298 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.549 -4.873 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.734 -3.326 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.508 -4.515 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.352 -6.051 3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.584 -5.509 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.282 -5.544 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.464 -4.057 5.245 1.00 0.00 H new ATOM 830 N GLN A 54 11.798 -3.447 -1.924 1.00 0.00 N ATOM 831 CA GLN A 54 12.896 -2.682 -2.551 1.00 0.00 C ATOM 832 C GLN A 54 12.373 -1.546 -3.489 1.00 0.00 C ATOM 833 O GLN A 54 12.751 -0.411 -3.343 1.00 0.00 O ATOM 834 CB GLN A 54 13.770 -3.689 -3.360 1.00 0.00 C ATOM 835 CG GLN A 54 15.106 -3.938 -2.633 1.00 0.00 C ATOM 836 CD GLN A 54 15.875 -5.045 -3.355 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.426 -5.578 -4.350 1.00 0.00 O ATOM 838 NE2 GLN A 54 17.034 -5.421 -2.891 1.00 0.00 N ATOM 0 H GLN A 54 11.918 -4.460 -1.933 1.00 0.00 H new ATOM 0 HA GLN A 54 13.477 -2.191 -1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.234 -4.630 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.959 -3.297 -4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.698 -3.023 -2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.922 -4.223 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.417 -4.978 -2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.558 -6.158 -3.363 1.00 0.00 H new ATOM 847 N PRO A 55 11.531 -1.870 -4.458 1.00 0.00 N ATOM 848 CA PRO A 55 11.021 -0.838 -5.352 1.00 0.00 C ATOM 849 C PRO A 55 10.501 0.371 -4.584 1.00 0.00 C ATOM 850 O PRO A 55 10.721 1.502 -4.972 1.00 0.00 O ATOM 851 CB PRO A 55 9.858 -1.525 -6.123 1.00 0.00 C ATOM 852 CG PRO A 55 9.961 -3.059 -5.838 1.00 0.00 C ATOM 853 CD PRO A 55 11.038 -3.241 -4.734 1.00 0.00 C ATOM 0 HA PRO A 55 11.804 -0.461 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.895 -1.136 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.934 -1.326 -7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.000 -3.456 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.238 -3.602 -6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.614 -3.697 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.845 -3.891 -5.072 1.00 0.00 H new ATOM 861 N TYR A 56 9.832 0.106 -3.516 1.00 0.00 N ATOM 862 CA TYR A 56 9.282 1.221 -2.705 1.00 0.00 C ATOM 863 C TYR A 56 10.356 1.997 -1.961 1.00 0.00 C ATOM 864 O TYR A 56 10.469 3.192 -2.133 1.00 0.00 O ATOM 865 CB TYR A 56 8.291 0.641 -1.710 1.00 0.00 C ATOM 866 CG TYR A 56 7.056 0.209 -2.480 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.206 1.154 -2.985 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.787 -1.117 -2.689 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.092 0.788 -3.694 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.672 -1.500 -3.400 1.00 0.00 C ATOM 871 CZ TYR A 56 4.810 -0.548 -3.910 1.00 0.00 C ATOM 872 OH TYR A 56 3.690 -0.922 -4.615 1.00 0.00 O ATOM 0 H TYR A 56 9.638 -0.831 -3.163 1.00 0.00 H new ATOM 0 HA TYR A 56 8.800 1.926 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.730 -0.208 -1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.030 1.383 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.415 2.201 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.454 -1.868 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.431 1.547 -4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.470 -2.549 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 56 3.650 -1.900 -4.671 1.00 0.00 H new ATOM 882 N GLU A 57 11.138 1.335 -1.144 1.00 0.00 N ATOM 883 CA GLU A 57 12.188 2.107 -0.420 1.00 0.00 C ATOM 884 C GLU A 57 13.001 2.864 -1.445 1.00 0.00 C ATOM 885 O GLU A 57 13.365 4.015 -1.266 1.00 0.00 O ATOM 886 CB GLU A 57 13.077 1.123 0.390 1.00 0.00 C ATOM 887 CG GLU A 57 14.100 0.442 -0.506 1.00 0.00 C ATOM 888 CD GLU A 57 14.794 -0.675 0.278 1.00 0.00 C ATOM 889 OE1 GLU A 57 14.765 -0.581 1.495 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.315 -1.559 -0.383 1.00 0.00 O ATOM 0 H GLU A 57 11.098 0.334 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 57 11.746 2.816 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.589 1.663 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.449 0.370 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.611 0.032 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.835 1.167 -0.856 1.00 0.00 H new ATOM 897 N LYS A 58 13.255 2.186 -2.505 1.00 0.00 N ATOM 898 CA LYS A 58 14.028 2.783 -3.600 1.00 0.00 C ATOM 899 C LYS A 58 13.291 4.016 -4.103 1.00 0.00 C ATOM 900 O LYS A 58 13.884 5.049 -4.366 1.00 0.00 O ATOM 901 CB LYS A 58 14.120 1.734 -4.738 1.00 0.00 C ATOM 902 CG LYS A 58 14.819 2.341 -5.967 1.00 0.00 C ATOM 903 CD LYS A 58 16.228 2.833 -5.577 1.00 0.00 C ATOM 904 CE LYS A 58 17.112 2.903 -6.836 1.00 0.00 C ATOM 905 NZ LYS A 58 18.269 3.813 -6.611 1.00 0.00 N ATOM 0 H LYS A 58 12.954 1.224 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 58 15.025 3.069 -3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.671 0.860 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.121 1.394 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.890 1.597 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.230 3.170 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.165 3.815 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.671 2.158 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.470 1.906 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.523 3.257 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.855 3.849 -7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.922 4.768 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.840 3.459 -5.817 1.00 0.00 H new ATOM 919 N LYS A 59 11.996 3.884 -4.223 1.00 0.00 N ATOM 920 CA LYS A 59 11.194 5.014 -4.696 1.00 0.00 C ATOM 921 C LYS A 59 11.456 6.210 -3.812 1.00 0.00 C ATOM 922 O LYS A 59 11.739 7.292 -4.278 1.00 0.00 O ATOM 923 CB LYS A 59 9.711 4.611 -4.583 1.00 0.00 C ATOM 924 CG LYS A 59 8.851 5.517 -5.480 1.00 0.00 C ATOM 925 CD LYS A 59 7.436 4.903 -5.624 1.00 0.00 C ATOM 926 CE LYS A 59 7.416 3.895 -6.788 1.00 0.00 C ATOM 927 NZ LYS A 59 6.302 2.924 -6.610 1.00 0.00 N ATOM 0 H LYS A 59 11.472 3.035 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 59 11.447 5.267 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.585 3.569 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.381 4.692 -3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.784 6.516 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.315 5.623 -6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.150 4.406 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.705 5.691 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.299 4.424 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.367 3.364 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.299 2.250 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.431 2.408 -5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.396 3.435 -6.588 1.00 0.00 H new ATOM 941 N ALA A 60 11.354 5.983 -2.537 1.00 0.00 N ATOM 942 CA ALA A 60 11.590 7.080 -1.585 1.00 0.00 C ATOM 943 C ALA A 60 12.895 7.793 -1.918 1.00 0.00 C ATOM 944 O ALA A 60 13.066 8.952 -1.607 1.00 0.00 O ATOM 945 CB ALA A 60 11.692 6.487 -0.173 1.00 0.00 C ATOM 0 H ALA A 60 11.117 5.083 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 60 10.769 7.795 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.867 7.287 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.763 5.974 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.519 5.778 -0.135 1.00 0.00 H new ATOM 951 N ALA A 61 13.803 7.079 -2.539 1.00 0.00 N ATOM 952 CA ALA A 61 15.094 7.706 -2.895 1.00 0.00 C ATOM 953 C ALA A 61 14.926 8.692 -4.044 1.00 0.00 C ATOM 954 O ALA A 61 15.640 9.670 -4.136 1.00 0.00 O ATOM 955 CB ALA A 61 16.082 6.603 -3.317 1.00 0.00 C ATOM 0 H ALA A 61 13.699 6.101 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 61 15.470 8.249 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.039 7.053 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.225 5.907 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.683 6.067 -4.178 1.00 0.00 H new ATOM 961 N LYS A 62 13.995 8.416 -4.904 1.00 0.00 N ATOM 962 CA LYS A 62 13.776 9.325 -6.039 1.00 0.00 C ATOM 963 C LYS A 62 13.209 10.652 -5.549 1.00 0.00 C ATOM 964 O LYS A 62 13.748 11.702 -5.842 1.00 0.00 O ATOM 965 CB LYS A 62 12.772 8.655 -7.012 1.00 0.00 C ATOM 966 CG LYS A 62 13.535 7.775 -8.007 1.00 0.00 C ATOM 967 CD LYS A 62 12.536 6.929 -8.809 1.00 0.00 C ATOM 968 CE LYS A 62 11.534 7.851 -9.531 1.00 0.00 C ATOM 969 NZ LYS A 62 10.411 8.217 -8.620 1.00 0.00 N ATOM 0 H LYS A 62 13.381 7.602 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 62 14.722 9.520 -6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.055 8.053 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.203 9.416 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.126 8.396 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.233 7.128 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.067 6.314 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.004 6.249 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.042 8.753 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.143 7.350 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.505 7.998 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.490 7.674 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.454 9.234 -8.407 1.00 0.00 H new ATOM 983 N LEU A 63 12.134 10.590 -4.812 1.00 0.00 N ATOM 984 CA LEU A 63 11.552 11.840 -4.314 1.00 0.00 C ATOM 985 C LEU A 63 12.518 12.518 -3.347 1.00 0.00 C ATOM 986 O LEU A 63 12.375 13.685 -3.038 1.00 0.00 O ATOM 987 CB LEU A 63 10.194 11.529 -3.624 1.00 0.00 C ATOM 988 CG LEU A 63 10.413 10.957 -2.196 1.00 0.00 C ATOM 989 CD1 LEU A 63 10.736 12.110 -1.168 1.00 0.00 C ATOM 990 CD2 LEU A 63 9.127 10.222 -1.763 1.00 0.00 C ATOM 0 H LEU A 63 11.648 9.734 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 63 11.376 12.524 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.594 12.437 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.633 10.813 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 63 11.260 10.272 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.885 11.682 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.642 12.631 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.905 12.814 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.261 9.813 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.291 10.922 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.919 9.411 -2.461 1.00 0.00 H new ATOM 1002 N LYS A 64 13.495 11.766 -2.883 1.00 0.00 N ATOM 1003 CA LYS A 64 14.477 12.358 -1.940 1.00 0.00 C ATOM 1004 C LYS A 64 15.333 13.363 -2.680 1.00 0.00 C ATOM 1005 O LYS A 64 15.606 14.438 -2.185 1.00 0.00 O ATOM 1006 CB LYS A 64 15.385 11.245 -1.393 1.00 0.00 C ATOM 1007 CG LYS A 64 16.245 11.813 -0.253 1.00 0.00 C ATOM 1008 CD LYS A 64 17.277 10.755 0.204 1.00 0.00 C ATOM 1009 CE LYS A 64 18.518 10.801 -0.705 1.00 0.00 C ATOM 1010 NZ LYS A 64 19.584 9.904 -0.176 1.00 0.00 N ATOM 0 H LYS A 64 13.645 10.785 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 64 13.949 12.847 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.782 10.412 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.022 10.855 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.759 12.714 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.610 12.100 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.567 10.941 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.830 9.762 0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.247 10.497 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.892 11.823 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.415 9.946 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.854 10.212 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.229 8.927 -0.138 1.00 0.00 H new ATOM 1024 N GLU A 65 15.750 12.991 -3.867 1.00 0.00 N ATOM 1025 CA GLU A 65 16.582 13.897 -4.659 1.00 0.00 C ATOM 1026 C GLU A 65 15.903 15.252 -4.748 1.00 0.00 C ATOM 1027 O GLU A 65 16.543 16.276 -4.684 1.00 0.00 O ATOM 1028 CB GLU A 65 16.715 13.299 -6.069 1.00 0.00 C ATOM 1029 CG GLU A 65 17.761 12.182 -6.048 1.00 0.00 C ATOM 1030 CD GLU A 65 17.840 11.538 -7.434 1.00 0.00 C ATOM 1031 OE1 GLU A 65 16.786 11.161 -7.919 1.00 0.00 O ATOM 1032 OE2 GLU A 65 18.953 11.458 -7.930 1.00 0.00 O ATOM 0 H GLU A 65 15.540 12.095 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 65 17.563 14.019 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.754 12.907 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.007 14.073 -6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.734 12.584 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.496 11.434 -5.301 1.00 0.00 H new ATOM 1039 N LYS A 66 14.605 15.218 -4.901 1.00 0.00 N ATOM 1040 CA LYS A 66 13.844 16.478 -4.996 1.00 0.00 C ATOM 1041 C LYS A 66 13.835 17.199 -3.656 1.00 0.00 C ATOM 1042 O LYS A 66 13.983 18.403 -3.586 1.00 0.00 O ATOM 1043 CB LYS A 66 12.390 16.130 -5.390 1.00 0.00 C ATOM 1044 CG LYS A 66 11.504 17.423 -5.395 1.00 0.00 C ATOM 1045 CD LYS A 66 10.655 17.494 -4.107 1.00 0.00 C ATOM 1046 CE LYS A 66 9.663 18.656 -4.219 1.00 0.00 C ATOM 1047 NZ LYS A 66 8.503 18.269 -5.070 1.00 0.00 N ATOM 0 H LYS A 66 14.047 14.366 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 66 14.307 17.129 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.374 15.666 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.980 15.403 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.138 18.306 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.853 17.423 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.119 16.556 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.300 17.634 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.315 18.942 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.160 19.527 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.785 19.021 -5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.822 18.133 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.091 17.383 -4.714 1.00 0.00 H new ATOM 1061 N TYR A 67 13.661 16.437 -2.620 1.00 0.00 N ATOM 1062 CA TYR A 67 13.634 17.029 -1.251 1.00 0.00 C ATOM 1063 C TYR A 67 14.948 17.719 -0.923 1.00 0.00 C ATOM 1064 O TYR A 67 15.050 18.921 -0.980 1.00 0.00 O ATOM 1065 CB TYR A 67 13.424 15.887 -0.240 1.00 0.00 C ATOM 1066 CG TYR A 67 13.312 16.445 1.193 1.00 0.00 C ATOM 1067 CD1 TYR A 67 12.158 17.072 1.603 1.00 0.00 C ATOM 1068 CD2 TYR A 67 14.318 16.232 2.126 1.00 0.00 C ATOM 1069 CE1 TYR A 67 12.001 17.464 2.916 1.00 0.00 C ATOM 1070 CE2 TYR A 67 14.153 16.629 3.438 1.00 0.00 C ATOM 1071 CZ TYR A 67 12.994 17.246 3.841 1.00 0.00 C ATOM 1072 OH TYR A 67 12.827 17.636 5.154 1.00 0.00 O ATOM 0 H TYR A 67 13.535 15.425 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 67 12.832 17.765 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.520 15.333 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 67 14.255 15.185 -0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.368 17.259 0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.237 15.752 1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.086 17.949 3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.942 16.453 4.154 1.00 0.00 H new ATOM 0 HH TYR A 67 13.628 17.403 5.669 1.00 0.00 H new ATOM 1082 N GLU A 68 15.938 16.933 -0.602 1.00 0.00 N ATOM 1083 CA GLU A 68 17.261 17.490 -0.258 1.00 0.00 C ATOM 1084 C GLU A 68 17.746 18.537 -1.255 1.00 0.00 C ATOM 1085 O GLU A 68 18.755 19.178 -1.041 1.00 0.00 O ATOM 1086 CB GLU A 68 18.244 16.326 -0.235 1.00 0.00 C ATOM 1087 CG GLU A 68 18.003 15.471 1.032 1.00 0.00 C ATOM 1088 CD GLU A 68 19.236 14.605 1.302 1.00 0.00 C ATOM 1089 OE1 GLU A 68 19.459 13.718 0.499 1.00 0.00 O ATOM 1090 OE2 GLU A 68 19.886 14.884 2.296 1.00 0.00 O ATOM 0 H GLU A 68 15.878 15.915 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 68 17.187 17.993 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.120 15.714 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.268 16.700 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.804 16.116 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.124 14.840 0.897 1.00 0.00 H new ATOM 1097 N LYS A 69 17.035 18.691 -2.308 1.00 0.00 N ATOM 1098 CA LYS A 69 17.449 19.694 -3.317 1.00 0.00 C ATOM 1099 C LYS A 69 17.401 21.120 -2.754 1.00 0.00 C ATOM 1100 O LYS A 69 18.348 21.869 -2.883 1.00 0.00 O ATOM 1101 CB LYS A 69 16.486 19.610 -4.517 1.00 0.00 C ATOM 1102 CG LYS A 69 17.098 20.345 -5.723 1.00 0.00 C ATOM 1103 CD LYS A 69 16.357 19.928 -6.999 1.00 0.00 C ATOM 1104 CE LYS A 69 17.014 20.599 -8.214 1.00 0.00 C ATOM 1105 NZ LYS A 69 16.584 22.022 -8.321 1.00 0.00 N ATOM 0 H LYS A 69 16.184 18.172 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 69 18.475 19.477 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.297 18.567 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.525 20.054 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.025 21.423 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.158 20.106 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.383 18.844 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.308 20.216 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.099 20.547 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.744 20.062 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.038 22.460 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.551 22.065 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.863 22.535 -7.460 1.00 0.00 H new ATOM 1119 N ASP A 70 16.293 21.468 -2.137 1.00 0.00 N ATOM 1120 CA ASP A 70 16.156 22.843 -1.559 1.00 0.00 C ATOM 1121 C ASP A 70 16.387 22.855 -0.042 1.00 0.00 C ATOM 1122 O ASP A 70 16.742 23.871 0.523 1.00 0.00 O ATOM 1123 CB ASP A 70 14.713 23.302 -1.840 1.00 0.00 C ATOM 1124 CG ASP A 70 14.612 23.818 -3.279 1.00 0.00 C ATOM 1125 OD1 ASP A 70 15.220 24.846 -3.529 1.00 0.00 O ATOM 1126 OD2 ASP A 70 13.932 23.155 -4.044 1.00 0.00 O ATOM 0 H ASP A 70 15.483 20.861 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 70 16.901 23.499 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 70 14.021 22.473 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 70 14.427 24.087 -1.140 1.00 0.00 H new ATOM 1131 N ILE A 71 16.183 21.738 0.582 1.00 0.00 N ATOM 1132 CA ILE A 71 16.380 21.669 2.026 1.00 0.00 C ATOM 1133 C ILE A 71 17.809 22.051 2.350 1.00 0.00 C ATOM 1134 O ILE A 71 18.102 22.526 3.423 1.00 0.00 O ATOM 1135 CB ILE A 71 16.147 20.217 2.474 1.00 0.00 C ATOM 1136 CG1 ILE A 71 14.788 19.586 1.961 1.00 0.00 C ATOM 1137 CG2 ILE A 71 16.116 20.166 3.995 1.00 0.00 C ATOM 1138 CD1 ILE A 71 13.888 20.557 1.171 1.00 0.00 C ATOM 0 H ILE A 71 15.886 20.868 0.140 1.00 0.00 H new ATOM 0 HA ILE A 71 15.692 22.345 2.533 1.00 0.00 H new ATOM 0 HB ILE A 71 16.965 19.640 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.017 18.728 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.230 19.211 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.951 19.139 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 71 17.066 20.524 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.308 20.798 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.980 20.040 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.624 21.404 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.423 20.914 0.291 1.00 0.00 H new ATOM 1150 N ALA A 72 18.683 21.814 1.403 1.00 0.00 N ATOM 1151 CA ALA A 72 20.121 22.155 1.614 1.00 0.00 C ATOM 1152 C ALA A 72 20.250 23.485 2.348 1.00 0.00 C ATOM 1153 O ALA A 72 20.945 23.590 3.339 1.00 0.00 O ATOM 1154 CB ALA A 72 20.800 22.274 0.239 1.00 0.00 C ATOM 0 H ALA A 72 18.463 21.401 0.497 1.00 0.00 H new ATOM 0 HA ALA A 72 20.593 21.376 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 72 21.853 22.523 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 72 20.716 21.325 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 72 20.313 23.058 -0.341 1.00 0.00 H new ATOM 1160 N ALA A 73 19.572 24.479 1.844 1.00 0.00 N ATOM 1161 CA ALA A 73 19.635 25.796 2.490 1.00 0.00 C ATOM 1162 C ALA A 73 19.061 25.699 3.898 1.00 0.00 C ATOM 1163 O ALA A 73 19.507 26.369 4.810 1.00 0.00 O ATOM 1164 CB ALA A 73 18.781 26.776 1.669 1.00 0.00 C ATOM 0 H ALA A 73 18.981 24.425 1.014 1.00 0.00 H new ATOM 0 HA ALA A 73 20.668 26.139 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.813 27.762 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.173 26.838 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.750 26.423 1.639 1.00 0.00 H new ATOM 1170 N TYR A 74 18.073 24.853 4.041 1.00 0.00 N ATOM 1171 CA TYR A 74 17.435 24.671 5.360 1.00 0.00 C ATOM 1172 C TYR A 74 18.378 23.956 6.309 1.00 0.00 C ATOM 1173 O TYR A 74 19.579 24.128 6.248 1.00 0.00 O ATOM 1174 CB TYR A 74 16.173 23.794 5.152 1.00 0.00 C ATOM 1175 CG TYR A 74 15.186 23.874 6.330 1.00 0.00 C ATOM 1176 CD1 TYR A 74 15.455 24.563 7.520 1.00 0.00 C ATOM 1177 CD2 TYR A 74 13.980 23.271 6.179 1.00 0.00 C ATOM 1178 CE1 TYR A 74 14.496 24.634 8.511 1.00 0.00 C ATOM 1179 CE2 TYR A 74 13.013 23.346 7.179 1.00 0.00 C ATOM 1180 CZ TYR A 74 13.272 24.027 8.348 1.00 0.00 C ATOM 1181 OH TYR A 74 12.317 24.100 9.343 1.00 0.00 O ATOM 0 H TYR A 74 17.685 24.281 3.290 1.00 0.00 H new ATOM 0 HA TYR A 74 17.180 25.641 5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.667 24.106 4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 74 16.477 22.757 5.009 1.00 0.00 H new ATOM 0 HD1 TYR A 74 16.414 25.039 7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 74 13.767 22.726 5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.709 25.171 9.423 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.055 22.868 7.037 1.00 0.00 H new ATOM 0 HH TYR A 74 11.513 23.617 9.060 1.00 0.00 H new ATOM 1191 N ARG A 75 17.818 23.164 7.164 1.00 0.00 N ATOM 1192 CA ARG A 75 18.656 22.423 8.124 1.00 0.00 C ATOM 1193 C ARG A 75 19.463 21.379 7.364 1.00 0.00 C ATOM 1194 O ARG A 75 18.910 20.443 6.822 1.00 0.00 O ATOM 1195 CB ARG A 75 17.716 21.721 9.167 1.00 0.00 C ATOM 1196 CG ARG A 75 17.734 22.506 10.499 1.00 0.00 C ATOM 1197 CD ARG A 75 18.976 22.105 11.308 1.00 0.00 C ATOM 1198 NE ARG A 75 19.091 22.995 12.499 1.00 0.00 N ATOM 1199 CZ ARG A 75 20.051 22.792 13.360 1.00 0.00 C ATOM 1200 NH1 ARG A 75 20.887 21.811 13.155 1.00 0.00 N ATOM 1201 NH2 ARG A 75 20.147 23.580 14.398 1.00 0.00 N ATOM 0 H ARG A 75 16.814 22.998 7.239 1.00 0.00 H new ATOM 0 HA ARG A 75 19.337 23.097 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.699 21.670 8.778 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.045 20.695 9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 75 17.745 23.578 10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 75 16.830 22.296 11.071 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.900 21.064 11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.870 22.187 10.690 1.00 0.00 H new ATOM 0 HE ARG A 75 18.426 23.755 12.640 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.784 21.217 12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.643 21.638 13.818 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.478 24.339 14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.891 23.436 15.081 1.00 0.00 H new ATOM 1215 N ALA A 76 20.755 21.547 7.335 1.00 0.00 N ATOM 1216 CA ALA A 76 21.577 20.566 6.611 1.00 0.00 C ATOM 1217 C ALA A 76 23.062 20.723 6.931 1.00 0.00 C ATOM 1218 O ALA A 76 23.889 20.739 6.040 1.00 0.00 O ATOM 1219 CB ALA A 76 21.360 20.805 5.112 1.00 0.00 C ATOM 0 H ALA A 76 21.263 22.313 7.777 1.00 0.00 H new ATOM 0 HA ALA A 76 21.282 19.560 6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 76 21.956 20.094 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 76 20.305 20.671 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 76 21.664 21.820 4.858 1.00 0.00 H new ATOM 1225 N LYS A 77 23.372 20.831 8.198 1.00 0.00 N ATOM 1226 CA LYS A 77 24.803 20.986 8.596 1.00 0.00 C ATOM 1227 C LYS A 77 24.939 21.079 10.111 1.00 0.00 C ATOM 1228 O LYS A 77 23.954 20.776 10.763 1.00 0.00 O ATOM 1229 CB LYS A 77 25.384 22.276 7.960 1.00 0.00 C ATOM 1230 CG LYS A 77 24.407 23.462 8.142 1.00 0.00 C ATOM 1231 CD LYS A 77 24.365 23.902 9.629 1.00 0.00 C ATOM 1232 CE LYS A 77 23.976 25.385 9.715 1.00 0.00 C ATOM 1233 NZ LYS A 77 22.780 25.659 8.871 1.00 0.00 N ATOM 1234 OXT LYS A 77 26.022 21.449 10.535 1.00 0.00 O ATOM 0 H LYS A 77 22.703 20.819 8.968 1.00 0.00 H new ATOM 0 HA LYS A 77 25.351 20.112 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 77 26.343 22.514 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 77 25.571 22.112 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 77 24.719 24.299 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 77 23.409 23.173 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.646 23.294 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 77 25.338 23.743 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 77 23.767 25.653 10.751 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.810 26.006 9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.358 26.567 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.063 25.703 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.082 24.899 9.000 1.00 0.00 H new TER 1248 LYS A 77