USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 822 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 89 TYR OH : rot 177:sc= -1.93 USER MOD Set 2.1: A 35 THR OG1 : rot 170:sc= 1.11 USER MOD Set 2.2: A 58 THR OG1 : rot 137:sc= -2.52! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0028 (180deg=-0.221) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -4.26 K(o=-4.3,f=-15!) USER MOD Single : A 7 THR OG1 : rot 51:sc= 0.0746 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.192 F(o=-1.3,f=-0.19) USER MOD Single : A 13 GLN : amide:sc= -0.0951 X(o=-0.095,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 24 THR OG1 : rot -90:sc= 0.929 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00774 USER MOD Single : A 31 SER OG : rot -54:sc= 1.11 USER MOD Single : A 32 HIS : no HE2:sc= -6.03! C(o=-6!,f=-9.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0794 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.854 USER MOD Single : A 65 THR OG1 : rot 50:sc= -5.66! USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= 0.256 (180deg=-0.192) USER MOD Single : A 70 HIS : no HD1:sc= -0.401 K(o=-0.4,f=-1.3) USER MOD Single : A 73 GLN : amide:sc= -0.368 K(o=-0.37,f=-2.9!) USER MOD Single : A 75 ASN : amide:sc=-0.000104 X(o=-0.0001,f=-0.077) USER MOD Single : A 76 MET CE :methyl 147:sc= 0 (180deg=-1.09) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0645! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0029 X(o=-0.0029,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.92) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.494 12.537 12.784 1.00 0.00 N ATOM 2 CA MET A 1 -14.072 11.443 13.546 1.00 0.00 C ATOM 3 C MET A 1 -13.506 10.097 13.088 1.00 0.00 C ATOM 4 O MET A 1 -13.290 9.202 13.903 1.00 0.00 O ATOM 5 CB MET A 1 -15.592 11.444 13.369 1.00 0.00 C ATOM 6 CG MET A 1 -16.279 12.155 14.536 1.00 0.00 C ATOM 7 SD MET A 1 -18.042 12.217 14.261 1.00 0.00 S ATOM 8 CE MET A 1 -18.535 13.237 15.640 1.00 0.00 C ATOM 0 H1 MET A 1 -13.689 13.437 13.267 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.466 12.401 12.707 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.913 12.557 11.832 1.00 0.00 H new ATOM 0 HA MET A 1 -13.820 11.584 14.597 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.852 11.938 12.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.954 10.418 13.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.066 11.631 15.468 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.883 13.165 14.641 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.616 13.378 15.620 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.249 12.751 16.573 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.042 14.206 15.570 1.00 0.00 H new ATOM 18 N GLN A 2 -13.282 9.998 11.786 1.00 0.00 N ATOM 19 CA GLN A 2 -12.745 8.776 11.211 1.00 0.00 C ATOM 20 C GLN A 2 -11.508 9.087 10.366 1.00 0.00 C ATOM 21 O GLN A 2 -11.545 9.963 9.503 1.00 0.00 O ATOM 22 CB GLN A 2 -13.805 8.048 10.383 1.00 0.00 C ATOM 23 CG GLN A 2 -13.220 6.801 9.716 1.00 0.00 C ATOM 24 CD GLN A 2 -14.163 6.261 8.639 1.00 0.00 C ATOM 25 OE1 GLN A 2 -15.125 5.563 8.914 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.834 6.622 7.402 1.00 0.00 N ATOM 0 H GLN A 2 -13.462 10.743 11.113 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.449 8.114 12.025 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.640 7.764 11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.201 8.720 9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.254 7.041 9.271 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.042 6.032 10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.015 7.208 7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.401 6.312 6.613 1.00 0.00 H new ATOM 35 N PRO A 3 -10.413 8.332 10.651 1.00 0.00 N ATOM 36 CA PRO A 3 -9.167 8.518 9.927 1.00 0.00 C ATOM 37 C PRO A 3 -9.255 7.921 8.521 1.00 0.00 C ATOM 38 O PRO A 3 -10.281 7.356 8.146 1.00 0.00 O ATOM 39 CB PRO A 3 -8.107 7.852 10.789 1.00 0.00 C ATOM 40 CG PRO A 3 -8.858 6.919 11.726 1.00 0.00 C ATOM 41 CD PRO A 3 -10.332 7.286 11.666 1.00 0.00 C ATOM 0 HA PRO A 3 -8.928 9.569 9.766 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.395 7.300 10.176 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.537 8.593 11.350 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.711 5.880 11.430 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.481 7.016 12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.944 6.425 11.397 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.691 7.643 12.631 1.00 0.00 H new ATOM 49 N ASN A 4 -8.165 8.067 7.781 1.00 0.00 N ATOM 50 CA ASN A 4 -8.107 7.550 6.425 1.00 0.00 C ATOM 51 C ASN A 4 -8.433 6.055 6.439 1.00 0.00 C ATOM 52 O ASN A 4 -8.523 5.446 7.504 1.00 0.00 O ATOM 53 CB ASN A 4 -6.708 7.723 5.829 1.00 0.00 C ATOM 54 CG ASN A 4 -6.719 7.467 4.320 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.635 6.343 3.855 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.827 8.570 3.585 1.00 0.00 N ATOM 0 H ASN A 4 -7.316 8.536 8.095 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.827 8.103 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.346 8.732 6.028 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.015 7.035 6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.843 8.505 2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.893 9.481 4.039 1.00 0.00 H new ATOM 63 N ASP A 5 -8.600 5.507 5.245 1.00 0.00 N ATOM 64 CA ASP A 5 -8.914 4.095 5.107 1.00 0.00 C ATOM 65 C ASP A 5 -7.614 3.288 5.075 1.00 0.00 C ATOM 66 O ASP A 5 -7.523 2.225 5.687 1.00 0.00 O ATOM 67 CB ASP A 5 -9.670 3.823 3.805 1.00 0.00 C ATOM 68 CG ASP A 5 -10.860 4.749 3.543 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.132 5.675 4.322 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.530 4.487 2.473 1.00 0.00 O ATOM 0 H ASP A 5 -8.524 6.015 4.364 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.536 3.805 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.972 3.909 2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.026 2.793 3.818 1.00 0.00 H new ATOM 76 N ILE A 6 -6.640 3.825 4.355 1.00 0.00 N ATOM 77 CA ILE A 6 -5.349 3.169 4.235 1.00 0.00 C ATOM 78 C ILE A 6 -4.317 4.173 3.717 1.00 0.00 C ATOM 79 O ILE A 6 -4.627 5.002 2.863 1.00 0.00 O ATOM 80 CB ILE A 6 -5.466 1.909 3.375 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.085 1.334 3.054 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.282 2.182 2.110 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.204 0.032 2.259 1.00 0.00 C ATOM 0 H ILE A 6 -6.719 4.707 3.849 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.002 2.830 5.211 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.004 1.153 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.508 2.061 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.539 1.150 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.350 1.270 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.284 2.510 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.795 2.961 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.208 -0.355 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.760 -0.701 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.728 0.224 1.323 1.00 0.00 H new ATOM 95 N THR A 7 -3.111 4.066 4.256 1.00 0.00 N ATOM 96 CA THR A 7 -2.032 4.954 3.859 1.00 0.00 C ATOM 97 C THR A 7 -1.087 4.244 2.889 1.00 0.00 C ATOM 98 O THR A 7 -1.174 3.030 2.707 1.00 0.00 O ATOM 99 CB THR A 7 -1.339 5.452 5.129 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.340 4.318 5.992 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.170 6.494 5.880 1.00 0.00 C ATOM 0 H THR A 7 -2.858 3.377 4.965 1.00 0.00 H new ATOM 0 HA THR A 7 -2.411 5.821 3.317 1.00 0.00 H new ATOM 0 HB THR A 7 -0.370 5.880 4.870 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.979 3.543 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.632 6.814 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.345 7.354 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.126 6.057 6.169 1.00 0.00 H new ATOM 109 N PHE A 8 -0.204 5.030 2.291 1.00 0.00 N ATOM 110 CA PHE A 8 0.758 4.492 1.344 1.00 0.00 C ATOM 111 C PHE A 8 1.963 5.423 1.196 1.00 0.00 C ATOM 112 O PHE A 8 1.801 6.629 1.018 1.00 0.00 O ATOM 113 CB PHE A 8 0.044 4.384 -0.005 1.00 0.00 C ATOM 114 CG PHE A 8 -1.321 3.696 0.066 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.425 4.411 0.412 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.431 2.370 -0.215 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.692 3.773 0.478 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.698 1.732 -0.149 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.802 2.447 0.196 1.00 0.00 C ATOM 0 H PHE A 8 -0.134 6.036 2.444 1.00 0.00 H new ATOM 0 HA PHE A 8 1.121 3.525 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.086 5.385 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.681 3.834 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.338 5.464 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.554 1.802 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.569 4.341 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.785 0.679 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.766 1.962 0.246 1.00 0.00 H new ATOM 129 N PHE A 9 3.143 4.827 1.275 1.00 0.00 N ATOM 130 CA PHE A 9 4.375 5.588 1.153 1.00 0.00 C ATOM 131 C PHE A 9 4.354 6.469 -0.098 1.00 0.00 C ATOM 132 O PHE A 9 3.348 6.526 -0.804 1.00 0.00 O ATOM 133 CB PHE A 9 5.516 4.576 1.030 1.00 0.00 C ATOM 134 CG PHE A 9 5.169 3.347 0.187 1.00 0.00 C ATOM 135 CD1 PHE A 9 5.380 3.363 -1.157 1.00 0.00 C ATOM 136 CD2 PHE A 9 4.651 2.239 0.781 1.00 0.00 C ATOM 137 CE1 PHE A 9 5.058 2.222 -1.939 1.00 0.00 C ATOM 138 CE2 PHE A 9 4.329 1.098 -0.002 1.00 0.00 C ATOM 139 CZ PHE A 9 4.539 1.114 -1.345 1.00 0.00 C ATOM 0 H PHE A 9 3.273 3.826 1.422 1.00 0.00 H new ATOM 0 HA PHE A 9 4.498 6.237 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.382 5.072 0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.807 4.249 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.792 4.243 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.484 2.226 1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.225 2.234 -3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.917 0.218 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.294 0.247 -1.940 1.00 0.00 H new ATOM 149 N GLN A 10 5.475 7.133 -0.334 1.00 0.00 N ATOM 150 CA GLN A 10 5.598 8.008 -1.487 1.00 0.00 C ATOM 151 C GLN A 10 5.639 7.185 -2.776 1.00 0.00 C ATOM 152 O GLN A 10 4.940 7.498 -3.739 1.00 0.00 O ATOM 153 CB GLN A 10 6.834 8.902 -1.368 1.00 0.00 C ATOM 154 CG GLN A 10 7.100 9.647 -2.678 1.00 0.00 C ATOM 155 CD GLN A 10 7.370 11.131 -2.420 1.00 0.00 C ATOM 156 OE1 GLN A 10 6.271 11.878 -2.364 1.00 0.00 O flip ATOM 157 NE2 GLN A 10 8.500 11.568 -2.281 1.00 0.00 N flip ATOM 0 H GLN A 10 6.307 7.083 0.254 1.00 0.00 H new ATOM 0 HA GLN A 10 4.723 8.657 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.692 9.619 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.702 8.296 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.955 9.201 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.242 9.540 -3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.301 10.938 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.645 12.563 -2.110 1.00 0.00 H new ATOM 166 N ARG A 11 6.464 6.149 -2.753 1.00 0.00 N ATOM 167 CA ARG A 11 6.605 5.278 -3.908 1.00 0.00 C ATOM 168 C ARG A 11 5.230 4.827 -4.403 1.00 0.00 C ATOM 169 O ARG A 11 5.068 4.490 -5.575 1.00 0.00 O ATOM 170 CB ARG A 11 7.447 4.046 -3.569 1.00 0.00 C ATOM 171 CG ARG A 11 8.679 4.433 -2.749 1.00 0.00 C ATOM 172 CD ARG A 11 9.915 3.663 -3.220 1.00 0.00 C ATOM 173 NE ARG A 11 10.620 4.431 -4.271 1.00 0.00 N ATOM 174 CZ ARG A 11 11.481 3.887 -5.157 1.00 0.00 C ATOM 175 NH1 ARG A 11 11.752 2.565 -5.126 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.055 4.668 -6.053 1.00 0.00 N ATOM 0 H ARG A 11 7.042 5.893 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 11 7.109 5.844 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.843 3.331 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.759 3.550 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.858 5.505 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.498 4.227 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.584 3.483 -2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.620 2.687 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 11 10.444 5.434 -4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.305 1.969 -4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.404 2.162 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.845 5.666 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.708 4.273 -6.730 1.00 0.00 H new ATOM 189 N PHE A 12 4.274 4.835 -3.486 1.00 0.00 N ATOM 190 CA PHE A 12 2.917 4.431 -3.815 1.00 0.00 C ATOM 191 C PHE A 12 2.159 5.566 -4.507 1.00 0.00 C ATOM 192 O PHE A 12 1.339 5.321 -5.390 1.00 0.00 O ATOM 193 CB PHE A 12 2.218 4.096 -2.496 1.00 0.00 C ATOM 194 CG PHE A 12 1.959 2.602 -2.291 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.615 1.820 -3.349 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.073 2.057 -1.050 1.00 0.00 C ATOM 197 CE1 PHE A 12 1.375 0.433 -3.158 1.00 0.00 C ATOM 198 CE2 PHE A 12 1.833 0.670 -0.859 1.00 0.00 C ATOM 199 CZ PHE A 12 1.489 -0.112 -1.917 1.00 0.00 C ATOM 0 H PHE A 12 4.412 5.115 -2.515 1.00 0.00 H new ATOM 0 HA PHE A 12 2.937 3.578 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.826 4.466 -1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.268 4.628 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.524 2.253 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.346 2.679 -0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.102 -0.189 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.924 0.237 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.306 -1.166 -1.772 1.00 0.00 H new ATOM 209 N GLN A 13 2.462 6.783 -4.080 1.00 0.00 N ATOM 210 CA GLN A 13 1.819 7.956 -4.647 1.00 0.00 C ATOM 211 C GLN A 13 2.227 8.129 -6.112 1.00 0.00 C ATOM 212 O GLN A 13 1.391 8.433 -6.961 1.00 0.00 O ATOM 213 CB GLN A 13 2.150 9.209 -3.834 1.00 0.00 C ATOM 214 CG GLN A 13 0.949 9.654 -2.997 1.00 0.00 C ATOM 215 CD GLN A 13 0.397 10.991 -3.497 1.00 0.00 C ATOM 216 OE1 GLN A 13 -0.660 11.069 -4.101 1.00 0.00 O ATOM 217 NE2 GLN A 13 1.170 12.035 -3.212 1.00 0.00 N ATOM 0 H GLN A 13 3.144 6.982 -3.348 1.00 0.00 H new ATOM 0 HA GLN A 13 0.740 7.811 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.999 9.009 -3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.448 10.014 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.168 8.895 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.244 9.746 -1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.043 11.899 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.890 12.972 -3.503 1.00 0.00 H new ATOM 226 N ASP A 14 3.512 7.927 -6.362 1.00 0.00 N ATOM 227 CA ASP A 14 4.041 8.056 -7.710 1.00 0.00 C ATOM 228 C ASP A 14 3.559 6.877 -8.557 1.00 0.00 C ATOM 229 O ASP A 14 3.004 7.070 -9.638 1.00 0.00 O ATOM 230 CB ASP A 14 5.571 8.041 -7.705 1.00 0.00 C ATOM 231 CG ASP A 14 6.218 7.690 -9.046 1.00 0.00 C ATOM 232 OD1 ASP A 14 6.408 6.509 -9.374 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.538 8.702 -9.778 1.00 0.00 O ATOM 0 H ASP A 14 4.203 7.675 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 14 3.691 9.003 -8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.928 9.022 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.910 7.325 -6.956 1.00 0.00 H new ATOM 239 N ASP A 15 3.788 5.681 -8.035 1.00 0.00 N ATOM 240 CA ASP A 15 3.384 4.471 -8.730 1.00 0.00 C ATOM 241 C ASP A 15 1.889 4.544 -9.045 1.00 0.00 C ATOM 242 O ASP A 15 1.474 4.272 -10.171 1.00 0.00 O ATOM 243 CB ASP A 15 3.626 3.232 -7.866 1.00 0.00 C ATOM 244 CG ASP A 15 4.972 2.540 -8.088 1.00 0.00 C ATOM 245 OD1 ASP A 15 6.021 3.024 -7.636 1.00 0.00 O ATOM 246 OD2 ASP A 15 4.917 1.444 -8.766 1.00 0.00 O ATOM 0 H ASP A 15 4.248 5.524 -7.138 1.00 0.00 H new ATOM 0 HA ASP A 15 3.974 4.394 -9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.551 3.519 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.829 2.513 -8.057 1.00 0.00 H new ATOM 252 N ILE A 16 1.120 4.911 -8.031 1.00 0.00 N ATOM 253 CA ILE A 16 -0.320 5.023 -8.185 1.00 0.00 C ATOM 254 C ILE A 16 -0.633 6.015 -9.308 1.00 0.00 C ATOM 255 O ILE A 16 -1.485 5.751 -10.155 1.00 0.00 O ATOM 256 CB ILE A 16 -0.976 5.379 -6.850 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.946 4.188 -5.890 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.396 5.909 -7.060 1.00 0.00 C ATOM 259 CD1 ILE A 16 -1.177 4.641 -4.447 1.00 0.00 C ATOM 0 H ILE A 16 1.468 5.135 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.747 4.064 -8.478 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.398 6.180 -6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.712 3.467 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.015 3.679 -5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.839 6.154 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.362 6.804 -7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.000 5.147 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.151 3.775 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.396 5.343 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.149 5.128 -4.370 1.00 0.00 H new ATOM 271 N LEU A 17 0.073 7.135 -9.277 1.00 0.00 N ATOM 272 CA LEU A 17 -0.118 8.168 -10.281 1.00 0.00 C ATOM 273 C LEU A 17 0.149 7.580 -11.668 1.00 0.00 C ATOM 274 O LEU A 17 -0.361 8.083 -12.668 1.00 0.00 O ATOM 275 CB LEU A 17 0.737 9.395 -9.958 1.00 0.00 C ATOM 276 CG LEU A 17 1.810 9.755 -10.988 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.210 10.548 -12.150 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.975 10.496 -10.330 1.00 0.00 C ATOM 0 H LEU A 17 0.778 7.350 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.150 8.518 -10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.075 10.253 -9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.225 9.231 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 17 2.210 8.829 -11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.994 10.791 -12.868 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.442 9.950 -12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.766 11.469 -11.771 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.723 10.740 -11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.609 11.415 -9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.424 9.862 -9.565 1.00 0.00 H new ATOM 290 N ALA A 18 0.948 6.524 -11.685 1.00 0.00 N ATOM 291 CA ALA A 18 1.289 5.862 -12.933 1.00 0.00 C ATOM 292 C ALA A 18 0.114 4.992 -13.381 1.00 0.00 C ATOM 293 O ALA A 18 0.178 4.346 -14.426 1.00 0.00 O ATOM 294 CB ALA A 18 2.575 5.055 -12.748 1.00 0.00 C ATOM 0 H ALA A 18 1.370 6.110 -10.854 1.00 0.00 H new ATOM 0 HA ALA A 18 1.474 6.595 -13.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.831 4.558 -13.684 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.386 5.724 -12.459 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.426 4.307 -11.969 1.00 0.00 H new ATOM 300 N GLY A 19 -0.933 5.002 -12.569 1.00 0.00 N ATOM 301 CA GLY A 19 -2.121 4.222 -12.869 1.00 0.00 C ATOM 302 C GLY A 19 -1.766 2.754 -13.111 1.00 0.00 C ATOM 303 O GLY A 19 -2.143 2.181 -14.133 1.00 0.00 O ATOM 0 H GLY A 19 -0.983 5.539 -11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.828 4.297 -12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.616 4.630 -13.750 1.00 0.00 H new ATOM 307 N ARG A 20 -1.045 2.187 -12.156 1.00 0.00 N ATOM 308 CA ARG A 20 -0.634 0.796 -12.253 1.00 0.00 C ATOM 309 C ARG A 20 -1.293 -0.030 -11.146 1.00 0.00 C ATOM 310 O ARG A 20 -0.826 -0.033 -10.008 1.00 0.00 O ATOM 311 CB ARG A 20 0.886 0.662 -12.144 1.00 0.00 C ATOM 312 CG ARG A 20 1.567 1.069 -13.453 1.00 0.00 C ATOM 313 CD ARG A 20 3.088 0.942 -13.342 1.00 0.00 C ATOM 314 NE ARG A 20 3.700 0.997 -14.688 1.00 0.00 N ATOM 315 CZ ARG A 20 5.016 0.818 -14.929 1.00 0.00 C ATOM 316 NH1 ARG A 20 5.871 0.571 -13.914 1.00 0.00 N ATOM 317 NH2 ARG A 20 5.454 0.888 -16.172 1.00 0.00 N ATOM 0 H ARG A 20 -0.734 2.665 -11.310 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.951 0.423 -13.227 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.252 1.287 -11.330 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.147 -0.367 -11.898 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.204 0.441 -14.266 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.301 2.097 -13.701 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.484 1.745 -12.720 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.348 0.003 -12.853 1.00 0.00 H new ATOM 0 HE ARG A 20 3.089 1.182 -15.484 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.524 0.518 -12.956 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.864 0.437 -14.105 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.801 1.075 -16.933 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.445 0.755 -16.372 1.00 0.00 H new ATOM 330 N LYS A 21 -2.366 -0.711 -11.519 1.00 0.00 N ATOM 331 CA LYS A 21 -3.093 -1.540 -10.572 1.00 0.00 C ATOM 332 C LYS A 21 -2.099 -2.222 -9.630 1.00 0.00 C ATOM 333 O LYS A 21 -1.478 -3.220 -9.994 1.00 0.00 O ATOM 334 CB LYS A 21 -4.011 -2.516 -11.309 1.00 0.00 C ATOM 335 CG LYS A 21 -3.203 -3.471 -12.190 1.00 0.00 C ATOM 336 CD LYS A 21 -4.013 -3.909 -13.411 1.00 0.00 C ATOM 337 CE LYS A 21 -3.095 -4.414 -14.526 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.862 -3.349 -15.528 1.00 0.00 N ATOM 0 H LYS A 21 -2.750 -0.706 -12.464 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.749 -0.927 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.594 -3.087 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.720 -1.961 -11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.284 -2.982 -12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.910 -4.346 -11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.711 -4.696 -13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.608 -3.072 -13.776 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.144 -4.738 -14.103 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.543 -5.283 -15.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.237 -3.708 -16.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.770 -3.059 -15.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.415 -2.531 -15.067 1.00 0.00 H new ATOM 351 N THR A 22 -1.979 -1.657 -8.437 1.00 0.00 N ATOM 352 CA THR A 22 -1.071 -2.199 -7.441 1.00 0.00 C ATOM 353 C THR A 22 -1.857 -2.800 -6.274 1.00 0.00 C ATOM 354 O THR A 22 -2.961 -2.351 -5.967 1.00 0.00 O ATOM 355 CB THR A 22 -0.114 -1.083 -7.017 1.00 0.00 C ATOM 356 OG1 THR A 22 0.660 -0.828 -8.187 1.00 0.00 O ATOM 357 CG2 THR A 22 0.914 -1.554 -5.986 1.00 0.00 C ATOM 0 H THR A 22 -2.495 -0.830 -8.138 1.00 0.00 H new ATOM 0 HA THR A 22 -0.479 -3.018 -7.850 1.00 0.00 H new ATOM 0 HB THR A 22 -0.685 -0.251 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.222 -0.136 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.568 -0.724 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.398 -1.910 -5.094 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.509 -2.364 -6.409 1.00 0.00 H new ATOM 365 N ILE A 23 -1.258 -3.806 -5.654 1.00 0.00 N ATOM 366 CA ILE A 23 -1.889 -4.473 -4.528 1.00 0.00 C ATOM 367 C ILE A 23 -1.383 -3.852 -3.224 1.00 0.00 C ATOM 368 O ILE A 23 -0.348 -3.187 -3.210 1.00 0.00 O ATOM 369 CB ILE A 23 -1.673 -5.986 -4.612 1.00 0.00 C ATOM 370 CG1 ILE A 23 -1.165 -6.391 -5.997 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.945 -6.743 -4.223 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.363 -6.352 -6.054 1.00 0.00 C ATOM 0 H ILE A 23 -0.342 -4.175 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.969 -4.326 -4.554 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.901 -6.262 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.516 -7.395 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.578 -5.720 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.765 -7.816 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.223 -6.486 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.754 -6.467 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.698 -6.644 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.710 -5.342 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.772 -7.042 -5.316 1.00 0.00 H new ATOM 384 N THR A 24 -2.137 -4.090 -2.161 1.00 0.00 N ATOM 385 CA THR A 24 -1.778 -3.562 -0.856 1.00 0.00 C ATOM 386 C THR A 24 -1.840 -4.665 0.201 1.00 0.00 C ATOM 387 O THR A 24 -2.302 -5.771 -0.076 1.00 0.00 O ATOM 388 CB THR A 24 -2.701 -2.379 -0.555 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.979 -2.977 -0.356 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.901 -1.468 -1.768 1.00 0.00 C ATOM 0 H THR A 24 -2.995 -4.641 -2.177 1.00 0.00 H new ATOM 0 HA THR A 24 -0.749 -3.202 -0.844 1.00 0.00 H new ATOM 0 HB THR A 24 -2.289 -1.799 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.451 -3.033 -1.213 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.564 -0.645 -1.500 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.938 -1.069 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.344 -2.040 -2.583 1.00 0.00 H new ATOM 398 N ILE A 25 -1.369 -4.327 1.392 1.00 0.00 N ATOM 399 CA ILE A 25 -1.365 -5.276 2.493 1.00 0.00 C ATOM 400 C ILE A 25 -1.977 -4.617 3.731 1.00 0.00 C ATOM 401 O ILE A 25 -1.603 -3.503 4.095 1.00 0.00 O ATOM 402 CB ILE A 25 0.045 -5.824 2.723 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.639 -6.370 1.423 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.052 -6.869 3.840 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.333 -5.261 0.629 1.00 0.00 C ATOM 0 H ILE A 25 -0.987 -3.409 1.619 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.983 -6.141 2.252 1.00 0.00 H new ATOM 0 HB ILE A 25 0.682 -5.002 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.353 -7.162 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.150 -6.816 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.066 -7.242 3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.301 -6.415 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.604 -7.696 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.746 -5.676 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.610 -4.483 0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.137 -4.833 1.228 1.00 0.00 H new ATOM 417 N ARG A 26 -2.909 -5.333 4.343 1.00 0.00 N ATOM 418 CA ARG A 26 -3.577 -4.832 5.532 1.00 0.00 C ATOM 419 C ARG A 26 -3.486 -5.858 6.664 1.00 0.00 C ATOM 420 O ARG A 26 -3.035 -6.982 6.453 1.00 0.00 O ATOM 421 CB ARG A 26 -5.049 -4.525 5.249 1.00 0.00 C ATOM 422 CG ARG A 26 -5.332 -4.539 3.745 1.00 0.00 C ATOM 423 CD ARG A 26 -4.834 -3.254 3.081 1.00 0.00 C ATOM 424 NE ARG A 26 -5.283 -2.076 3.856 1.00 0.00 N ATOM 425 CZ ARG A 26 -4.502 -1.398 4.722 1.00 0.00 C ATOM 426 NH1 ARG A 26 -3.223 -1.775 4.932 1.00 0.00 N ATOM 427 NH2 ARG A 26 -5.007 -0.359 5.362 1.00 0.00 N ATOM 0 H ARG A 26 -3.217 -6.256 4.038 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.076 -3.911 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.680 -5.260 5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.307 -3.550 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.846 -5.401 3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.403 -4.649 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.746 -3.265 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.211 -3.193 2.060 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.243 -1.757 3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.840 -2.578 4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.640 -1.256 5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.974 -0.080 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.430 0.164 6.020 1.00 0.00 H new ATOM 440 N ASP A 27 -3.922 -5.433 7.841 1.00 0.00 N ATOM 441 CA ASP A 27 -3.896 -6.300 9.006 1.00 0.00 C ATOM 442 C ASP A 27 -5.325 -6.722 9.355 1.00 0.00 C ATOM 443 O ASP A 27 -6.210 -5.878 9.488 1.00 0.00 O ATOM 444 CB ASP A 27 -3.307 -5.576 10.218 1.00 0.00 C ATOM 445 CG ASP A 27 -3.619 -6.220 11.571 1.00 0.00 C ATOM 446 OD1 ASP A 27 -4.026 -7.389 11.642 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.425 -5.460 12.594 1.00 0.00 O ATOM 0 H ASP A 27 -4.295 -4.499 8.012 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.278 -7.166 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.225 -5.522 10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.678 -4.551 10.226 1.00 0.00 H new ATOM 453 N GLU A 28 -5.505 -8.027 9.494 1.00 0.00 N ATOM 454 CA GLU A 28 -6.811 -8.571 9.825 1.00 0.00 C ATOM 455 C GLU A 28 -7.400 -7.839 11.032 1.00 0.00 C ATOM 456 O GLU A 28 -8.583 -7.501 11.041 1.00 0.00 O ATOM 457 CB GLU A 28 -6.729 -10.077 10.083 1.00 0.00 C ATOM 458 CG GLU A 28 -7.958 -10.570 10.850 1.00 0.00 C ATOM 459 CD GLU A 28 -9.241 -10.298 10.062 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.239 -10.383 8.825 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.267 -9.990 10.781 1.00 0.00 O ATOM 0 H GLU A 28 -4.768 -8.724 9.383 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.473 -8.418 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.651 -10.608 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.827 -10.304 10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.866 -11.639 11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.010 -10.073 11.819 1.00 0.00 H new ATOM 469 N SER A 29 -6.548 -7.615 12.022 1.00 0.00 N ATOM 470 CA SER A 29 -6.970 -6.929 13.231 1.00 0.00 C ATOM 471 C SER A 29 -7.414 -5.504 12.897 1.00 0.00 C ATOM 472 O SER A 29 -8.047 -4.839 13.716 1.00 0.00 O ATOM 473 CB SER A 29 -5.847 -6.905 14.271 1.00 0.00 C ATOM 474 OG SER A 29 -5.791 -5.663 14.967 1.00 0.00 O ATOM 0 H SER A 29 -5.568 -7.897 12.011 1.00 0.00 H new ATOM 0 HA SER A 29 -7.812 -7.474 13.657 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.997 -7.715 14.985 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.892 -7.088 13.778 1.00 0.00 H new ATOM 0 HG SER A 29 -5.063 -5.688 15.622 1.00 0.00 H new ATOM 480 N GLU A 30 -7.065 -5.077 11.692 1.00 0.00 N ATOM 481 CA GLU A 30 -7.420 -3.742 11.240 1.00 0.00 C ATOM 482 C GLU A 30 -8.304 -3.822 9.994 1.00 0.00 C ATOM 483 O GLU A 30 -8.517 -2.820 9.313 1.00 0.00 O ATOM 484 CB GLU A 30 -6.169 -2.903 10.971 1.00 0.00 C ATOM 485 CG GLU A 30 -5.604 -2.330 12.272 1.00 0.00 C ATOM 486 CD GLU A 30 -6.231 -0.970 12.590 1.00 0.00 C ATOM 487 OE1 GLU A 30 -6.996 -0.851 13.558 1.00 0.00 O ATOM 488 OE2 GLU A 30 -5.897 -0.016 11.788 1.00 0.00 O ATOM 0 H GLU A 30 -6.541 -5.631 11.015 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.984 -3.249 12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.413 -3.517 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.412 -2.090 10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.794 -3.023 13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.522 -2.225 12.188 1.00 0.00 H new ATOM 496 N SER A 31 -8.796 -5.024 9.732 1.00 0.00 N ATOM 497 CA SER A 31 -9.653 -5.248 8.580 1.00 0.00 C ATOM 498 C SER A 31 -10.591 -4.056 8.386 1.00 0.00 C ATOM 499 O SER A 31 -11.626 -3.962 9.044 1.00 0.00 O ATOM 500 CB SER A 31 -10.460 -6.539 8.736 1.00 0.00 C ATOM 501 OG SER A 31 -11.864 -6.300 8.687 1.00 0.00 O ATOM 0 H SER A 31 -8.617 -5.853 10.298 1.00 0.00 H new ATOM 0 HA SER A 31 -9.020 -5.351 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.183 -7.237 7.946 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.206 -7.013 9.684 1.00 0.00 H new ATOM 0 HG SER A 31 -12.103 -5.618 9.349 1.00 0.00 H new ATOM 507 N HIS A 32 -10.196 -3.174 7.479 1.00 0.00 N ATOM 508 CA HIS A 32 -10.989 -1.991 7.190 1.00 0.00 C ATOM 509 C HIS A 32 -12.014 -2.314 6.102 1.00 0.00 C ATOM 510 O HIS A 32 -12.677 -3.349 6.155 1.00 0.00 O ATOM 511 CB HIS A 32 -10.089 -0.809 6.825 1.00 0.00 C ATOM 512 CG HIS A 32 -9.326 -0.994 5.535 1.00 0.00 C ATOM 513 ND1 HIS A 32 -8.641 0.037 4.915 1.00 0.00 N ATOM 514 CD2 HIS A 32 -9.147 -2.099 4.755 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.080 -0.438 3.813 1.00 0.00 C ATOM 516 NE2 HIS A 32 -8.395 -1.761 3.715 1.00 0.00 N ATOM 0 H HIS A 32 -9.337 -3.255 6.935 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.539 -1.691 8.082 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.701 0.090 6.748 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.379 -0.643 7.635 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -8.579 0.999 5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.549 -3.082 4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.478 0.124 3.114 1.00 0.00 H new ATOM 524 N PHE A 33 -12.113 -1.409 5.139 1.00 0.00 N ATOM 525 CA PHE A 33 -13.046 -1.584 4.039 1.00 0.00 C ATOM 526 C PHE A 33 -12.875 -2.958 3.389 1.00 0.00 C ATOM 527 O PHE A 33 -12.116 -3.792 3.881 1.00 0.00 O ATOM 528 CB PHE A 33 -12.729 -0.501 3.006 1.00 0.00 C ATOM 529 CG PHE A 33 -13.531 0.789 3.190 1.00 0.00 C ATOM 530 CD1 PHE A 33 -13.137 1.709 4.110 1.00 0.00 C ATOM 531 CD2 PHE A 33 -14.639 1.014 2.434 1.00 0.00 C ATOM 532 CE1 PHE A 33 -13.881 2.906 4.281 1.00 0.00 C ATOM 533 CE2 PHE A 33 -15.383 2.212 2.605 1.00 0.00 C ATOM 534 CZ PHE A 33 -14.989 3.132 3.525 1.00 0.00 C ATOM 0 H PHE A 33 -11.562 -0.552 5.098 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.070 -1.509 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.666 -0.266 3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.921 -0.897 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.258 1.529 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -14.953 0.282 1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.567 3.637 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.262 2.392 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.556 4.042 3.656 1.00 0.00 H new ATOM 544 N LYS A 34 -13.593 -3.152 2.292 1.00 0.00 N ATOM 545 CA LYS A 34 -13.530 -4.411 1.569 1.00 0.00 C ATOM 546 C LYS A 34 -13.476 -4.129 0.066 1.00 0.00 C ATOM 547 O LYS A 34 -13.320 -2.981 -0.348 1.00 0.00 O ATOM 548 CB LYS A 34 -14.685 -5.324 1.983 1.00 0.00 C ATOM 549 CG LYS A 34 -14.328 -6.129 3.234 1.00 0.00 C ATOM 550 CD LYS A 34 -13.859 -7.538 2.864 1.00 0.00 C ATOM 551 CE LYS A 34 -14.144 -8.526 3.997 1.00 0.00 C ATOM 552 NZ LYS A 34 -12.932 -8.734 4.821 1.00 0.00 N ATOM 0 H LYS A 34 -14.221 -2.458 1.886 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.619 -4.952 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.576 -4.725 2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.927 -6.004 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.544 -5.615 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.196 -6.191 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.363 -7.866 1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.791 -7.525 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.955 -8.149 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.477 -9.478 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.143 -9.407 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.169 -9.114 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.632 -7.827 5.232 1.00 0.00 H new ATOM 565 N THR A 35 -13.609 -5.195 -0.709 1.00 0.00 N ATOM 566 CA THR A 35 -13.577 -5.077 -2.156 1.00 0.00 C ATOM 567 C THR A 35 -14.863 -4.424 -2.666 1.00 0.00 C ATOM 568 O THR A 35 -15.864 -4.375 -1.952 1.00 0.00 O ATOM 569 CB THR A 35 -13.330 -6.470 -2.739 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.172 -6.934 -2.052 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.898 -6.422 -4.207 1.00 0.00 C ATOM 0 H THR A 35 -13.739 -6.145 -0.362 1.00 0.00 H new ATOM 0 HA THR A 35 -12.767 -4.425 -2.482 1.00 0.00 H new ATOM 0 HB THR A 35 -14.237 -7.068 -2.646 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.035 -7.884 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.736 -7.436 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.677 -5.943 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.973 -5.852 -4.296 1.00 0.00 H new ATOM 579 N GLY A 36 -14.795 -3.939 -3.897 1.00 0.00 N ATOM 580 CA GLY A 36 -15.942 -3.291 -4.511 1.00 0.00 C ATOM 581 C GLY A 36 -16.301 -1.999 -3.775 1.00 0.00 C ATOM 582 O GLY A 36 -17.409 -1.485 -3.919 1.00 0.00 O ATOM 0 H GLY A 36 -13.963 -3.982 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.723 -3.070 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.796 -3.969 -4.501 1.00 0.00 H new ATOM 586 N ASP A 37 -15.342 -1.510 -3.001 1.00 0.00 N ATOM 587 CA ASP A 37 -15.543 -0.288 -2.242 1.00 0.00 C ATOM 588 C ASP A 37 -14.450 0.719 -2.607 1.00 0.00 C ATOM 589 O ASP A 37 -13.709 0.515 -3.567 1.00 0.00 O ATOM 590 CB ASP A 37 -15.458 -0.553 -0.738 1.00 0.00 C ATOM 591 CG ASP A 37 -16.743 -0.272 0.042 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.169 -1.076 0.884 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.324 0.843 -0.249 1.00 0.00 O ATOM 0 H ASP A 37 -14.424 -1.939 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.532 0.100 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.178 -1.595 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.657 0.058 -0.321 1.00 0.00 H new ATOM 599 N VAL A 38 -14.385 1.784 -1.822 1.00 0.00 N ATOM 600 CA VAL A 38 -13.396 2.823 -2.050 1.00 0.00 C ATOM 601 C VAL A 38 -12.306 2.727 -0.981 1.00 0.00 C ATOM 602 O VAL A 38 -12.577 2.339 0.154 1.00 0.00 O ATOM 603 CB VAL A 38 -14.075 4.194 -2.090 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.362 5.186 -1.169 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.148 4.728 -3.521 1.00 0.00 C ATOM 0 H VAL A 38 -15.002 1.950 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.915 2.686 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.095 4.074 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.864 6.152 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.387 4.814 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.326 5.300 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.635 5.703 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.140 4.825 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.721 4.036 -4.139 1.00 0.00 H new ATOM 615 N LEU A 39 -11.095 3.087 -1.381 1.00 0.00 N ATOM 616 CA LEU A 39 -9.963 3.046 -0.472 1.00 0.00 C ATOM 617 C LEU A 39 -9.221 4.384 -0.527 1.00 0.00 C ATOM 618 O LEU A 39 -8.491 4.654 -1.479 1.00 0.00 O ATOM 619 CB LEU A 39 -9.075 1.838 -0.775 1.00 0.00 C ATOM 620 CG LEU A 39 -9.569 0.492 -0.242 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.874 -0.669 -0.956 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.406 0.411 1.277 1.00 0.00 C ATOM 0 H LEU A 39 -10.873 3.409 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.304 2.912 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.961 1.758 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.084 2.028 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.635 0.410 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.243 -1.614 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.085 -0.618 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.798 -0.603 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.765 -0.556 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.353 0.525 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.984 1.206 1.748 1.00 0.00 H new ATOM 634 N ARG A 40 -9.435 5.185 0.506 1.00 0.00 N ATOM 635 CA ARG A 40 -8.796 6.488 0.588 1.00 0.00 C ATOM 636 C ARG A 40 -7.277 6.329 0.676 1.00 0.00 C ATOM 637 O ARG A 40 -6.780 5.456 1.386 1.00 0.00 O ATOM 638 CB ARG A 40 -9.292 7.269 1.806 1.00 0.00 C ATOM 639 CG ARG A 40 -9.718 8.685 1.413 1.00 0.00 C ATOM 640 CD ARG A 40 -10.795 9.216 2.360 1.00 0.00 C ATOM 641 NE ARG A 40 -12.047 9.468 1.613 1.00 0.00 N ATOM 642 CZ ARG A 40 -13.174 9.964 2.169 1.00 0.00 C ATOM 643 NH1 ARG A 40 -13.213 10.265 3.484 1.00 0.00 N ATOM 644 NH2 ARG A 40 -14.235 10.149 1.407 1.00 0.00 N ATOM 0 H ARG A 40 -10.042 4.957 1.294 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.055 7.042 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.133 6.745 2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.503 7.318 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.853 9.348 1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.096 8.684 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.977 8.496 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.453 10.136 2.833 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.060 9.254 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.388 10.118 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.068 10.639 3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.196 9.918 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.094 10.523 1.811 1.00 0.00 H new ATOM 657 N VAL A 41 -6.581 7.187 -0.056 1.00 0.00 N ATOM 658 CA VAL A 41 -5.128 7.153 -0.069 1.00 0.00 C ATOM 659 C VAL A 41 -4.587 8.568 0.147 1.00 0.00 C ATOM 660 O VAL A 41 -5.340 9.539 0.094 1.00 0.00 O ATOM 661 CB VAL A 41 -4.631 6.515 -1.368 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.537 5.356 -1.791 1.00 0.00 C ATOM 663 CG2 VAL A 41 -4.518 7.557 -2.482 1.00 0.00 C ATOM 0 H VAL A 41 -6.996 7.910 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.753 6.534 0.746 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.635 6.112 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.162 4.920 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.545 4.596 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.550 5.725 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.163 7.077 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.496 8.003 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.815 8.334 -2.183 1.00 0.00 H new ATOM 673 N GLY A 42 -3.286 8.639 0.386 1.00 0.00 N ATOM 674 CA GLY A 42 -2.635 9.919 0.611 1.00 0.00 C ATOM 675 C GLY A 42 -1.114 9.784 0.520 1.00 0.00 C ATOM 676 O GLY A 42 -0.563 9.653 -0.572 1.00 0.00 O ATOM 0 H GLY A 42 -2.665 7.831 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.984 10.643 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.911 10.304 1.593 1.00 0.00 H new ATOM 680 N ARG A 43 -0.478 9.822 1.681 1.00 0.00 N ATOM 681 CA ARG A 43 0.969 9.706 1.746 1.00 0.00 C ATOM 682 C ARG A 43 1.408 9.324 3.162 1.00 0.00 C ATOM 683 O ARG A 43 1.027 9.979 4.131 1.00 0.00 O ATOM 684 CB ARG A 43 1.645 11.018 1.346 1.00 0.00 C ATOM 685 CG ARG A 43 2.933 10.755 0.563 1.00 0.00 C ATOM 686 CD ARG A 43 3.504 12.055 -0.007 1.00 0.00 C ATOM 687 NE ARG A 43 4.968 12.101 0.205 1.00 0.00 N ATOM 688 CZ ARG A 43 5.693 13.239 0.232 1.00 0.00 C ATOM 689 NH1 ARG A 43 5.095 14.437 0.061 1.00 0.00 N ATOM 690 NH2 ARG A 43 6.996 13.163 0.428 1.00 0.00 N ATOM 0 H ARG A 43 -0.938 9.932 2.585 1.00 0.00 H new ATOM 0 HA ARG A 43 1.271 8.927 1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.962 11.613 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.871 11.602 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.670 10.285 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.733 10.055 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.280 12.124 -1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.032 12.911 0.474 1.00 0.00 H new ATOM 0 HE ARG A 43 5.460 11.217 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.087 14.487 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.651 15.292 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.440 12.254 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.559 14.013 0.451 1.00 0.00 H new ATOM 703 N PHE A 44 2.202 8.267 3.236 1.00 0.00 N ATOM 704 CA PHE A 44 2.697 7.790 4.516 1.00 0.00 C ATOM 705 C PHE A 44 3.771 8.727 5.072 1.00 0.00 C ATOM 706 O PHE A 44 3.988 8.781 6.282 1.00 0.00 O ATOM 707 CB PHE A 44 3.315 6.412 4.272 1.00 0.00 C ATOM 708 CG PHE A 44 3.177 5.450 5.454 1.00 0.00 C ATOM 709 CD1 PHE A 44 3.764 5.746 6.644 1.00 0.00 C ATOM 710 CD2 PHE A 44 2.466 4.299 5.314 1.00 0.00 C ATOM 711 CE1 PHE A 44 3.636 4.853 7.741 1.00 0.00 C ATOM 712 CE2 PHE A 44 2.338 3.406 6.410 1.00 0.00 C ATOM 713 CZ PHE A 44 2.925 3.702 7.600 1.00 0.00 C ATOM 0 H PHE A 44 2.515 7.727 2.430 1.00 0.00 H new ATOM 0 HA PHE A 44 1.881 7.747 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.846 5.965 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.373 6.536 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.328 6.660 6.755 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.999 4.064 4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.103 5.088 8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.774 2.492 6.299 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.827 3.023 8.434 1.00 0.00 H new ATOM 723 N GLU A 45 4.415 9.443 4.162 1.00 0.00 N ATOM 724 CA GLU A 45 5.461 10.375 4.546 1.00 0.00 C ATOM 725 C GLU A 45 4.970 11.292 5.668 1.00 0.00 C ATOM 726 O GLU A 45 5.654 11.468 6.675 1.00 0.00 O ATOM 727 CB GLU A 45 5.939 11.190 3.342 1.00 0.00 C ATOM 728 CG GLU A 45 7.157 10.536 2.686 1.00 0.00 C ATOM 729 CD GLU A 45 8.456 11.034 3.323 1.00 0.00 C ATOM 730 OE1 GLU A 45 8.749 10.695 4.479 1.00 0.00 O ATOM 731 OE2 GLU A 45 9.173 11.799 2.572 1.00 0.00 O ATOM 0 H GLU A 45 4.232 9.396 3.160 1.00 0.00 H new ATOM 0 HA GLU A 45 6.311 9.803 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.132 11.277 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.192 12.201 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.091 9.453 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.163 10.758 1.619 1.00 0.00 H new ATOM 739 N ASP A 46 3.787 11.851 5.457 1.00 0.00 N ATOM 740 CA ASP A 46 3.196 12.745 6.438 1.00 0.00 C ATOM 741 C ASP A 46 2.177 13.652 5.746 1.00 0.00 C ATOM 742 O ASP A 46 2.308 14.875 5.776 1.00 0.00 O ATOM 743 CB ASP A 46 4.260 13.636 7.083 1.00 0.00 C ATOM 744 CG ASP A 46 5.433 14.005 6.173 1.00 0.00 C ATOM 745 OD1 ASP A 46 6.593 14.043 6.610 1.00 0.00 O ATOM 746 OD2 ASP A 46 5.114 14.264 4.950 1.00 0.00 O ATOM 0 H ASP A 46 3.222 11.702 4.621 1.00 0.00 H new ATOM 0 HA ASP A 46 2.721 12.135 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.784 14.554 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.650 13.129 7.966 1.00 0.00 H new ATOM 752 N ASP A 47 1.184 13.019 5.139 1.00 0.00 N ATOM 753 CA ASP A 47 0.143 13.753 4.441 1.00 0.00 C ATOM 754 C ASP A 47 -1.206 13.075 4.687 1.00 0.00 C ATOM 755 O ASP A 47 -2.106 13.671 5.277 1.00 0.00 O ATOM 756 CB ASP A 47 0.397 13.768 2.932 1.00 0.00 C ATOM 757 CG ASP A 47 0.122 15.107 2.244 1.00 0.00 C ATOM 758 OD1 ASP A 47 -0.403 16.046 2.860 1.00 0.00 O ATOM 759 OD2 ASP A 47 0.476 15.165 1.004 1.00 0.00 O ATOM 0 H ASP A 47 1.079 12.005 5.116 1.00 0.00 H new ATOM 0 HA ASP A 47 0.142 14.776 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.435 13.490 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.224 13.003 2.466 1.00 0.00 H new ATOM 765 N GLY A 48 -1.304 11.838 4.222 1.00 0.00 N ATOM 766 CA GLY A 48 -2.528 11.072 4.384 1.00 0.00 C ATOM 767 C GLY A 48 -3.728 11.828 3.810 1.00 0.00 C ATOM 768 O GLY A 48 -3.653 13.034 3.579 1.00 0.00 O ATOM 0 H GLY A 48 -0.555 11.347 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.427 10.109 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.695 10.866 5.441 1.00 0.00 H new ATOM 772 N TYR A 49 -4.806 11.088 3.595 1.00 0.00 N ATOM 773 CA TYR A 49 -6.020 11.674 3.052 1.00 0.00 C ATOM 774 C TYR A 49 -5.693 12.731 1.995 1.00 0.00 C ATOM 775 O TYR A 49 -5.566 13.912 2.312 1.00 0.00 O ATOM 776 CB TYR A 49 -6.725 12.349 4.230 1.00 0.00 C ATOM 777 CG TYR A 49 -7.815 13.340 3.817 1.00 0.00 C ATOM 778 CD1 TYR A 49 -8.982 12.881 3.239 1.00 0.00 C ATOM 779 CD2 TYR A 49 -7.633 14.692 4.022 1.00 0.00 C ATOM 780 CE1 TYR A 49 -10.008 13.814 2.850 1.00 0.00 C ATOM 781 CE2 TYR A 49 -8.659 15.625 3.634 1.00 0.00 C ATOM 782 CZ TYR A 49 -9.796 15.140 3.067 1.00 0.00 C ATOM 783 OH TYR A 49 -10.765 16.020 2.700 1.00 0.00 O ATOM 0 H TYR A 49 -4.864 10.088 3.787 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.636 10.910 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.168 11.581 4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.983 12.871 4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.125 11.823 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.720 15.051 4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.925 13.469 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.529 16.686 3.790 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.478 16.932 2.916 1.00 0.00 H new ATOM 793 N PHE A 50 -5.567 12.267 0.760 1.00 0.00 N ATOM 794 CA PHE A 50 -5.258 13.157 -0.345 1.00 0.00 C ATOM 795 C PHE A 50 -6.150 12.863 -1.553 1.00 0.00 C ATOM 796 O PHE A 50 -6.662 13.782 -2.190 1.00 0.00 O ATOM 797 CB PHE A 50 -3.799 12.903 -0.731 1.00 0.00 C ATOM 798 CG PHE A 50 -3.105 14.106 -1.372 1.00 0.00 C ATOM 799 CD1 PHE A 50 -3.054 15.293 -0.710 1.00 0.00 C ATOM 800 CD2 PHE A 50 -2.541 13.989 -2.604 1.00 0.00 C ATOM 801 CE1 PHE A 50 -2.410 16.410 -1.306 1.00 0.00 C ATOM 802 CE2 PHE A 50 -1.897 15.106 -3.199 1.00 0.00 C ATOM 803 CZ PHE A 50 -1.846 16.293 -2.537 1.00 0.00 C ATOM 0 H PHE A 50 -5.673 11.286 0.501 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.426 14.192 -0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.244 12.609 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.758 12.062 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.503 15.386 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.583 13.047 -3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.369 17.353 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.448 15.013 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.357 17.143 -2.990 1.00 0.00 H new ATOM 813 N CYS A 51 -6.310 11.577 -1.830 1.00 0.00 N ATOM 814 CA CYS A 51 -7.132 11.150 -2.950 1.00 0.00 C ATOM 815 C CYS A 51 -7.891 9.888 -2.534 1.00 0.00 C ATOM 816 O CYS A 51 -7.678 9.362 -1.443 1.00 0.00 O ATOM 817 CB CYS A 51 -6.297 10.923 -4.211 1.00 0.00 C ATOM 818 SG CYS A 51 -4.987 12.196 -4.332 1.00 0.00 S ATOM 0 H CYS A 51 -5.885 10.817 -1.299 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.844 11.936 -3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.849 9.930 -4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.937 10.963 -5.093 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.282 11.993 -5.405 1.00 0.00 H new ATOM 824 N THR A 52 -8.762 9.439 -3.426 1.00 0.00 N ATOM 825 CA THR A 52 -9.554 8.250 -3.166 1.00 0.00 C ATOM 826 C THR A 52 -9.382 7.236 -4.298 1.00 0.00 C ATOM 827 O THR A 52 -9.269 7.614 -5.463 1.00 0.00 O ATOM 828 CB THR A 52 -11.006 8.685 -2.955 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.899 9.992 -2.397 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.709 7.871 -1.867 1.00 0.00 C ATOM 0 H THR A 52 -8.936 9.878 -4.330 1.00 0.00 H new ATOM 0 HA THR A 52 -9.218 7.741 -2.263 1.00 0.00 H new ATOM 0 HB THR A 52 -11.554 8.587 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.796 10.351 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.736 8.220 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.712 6.817 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.181 7.995 -0.921 1.00 0.00 H new ATOM 838 N ILE A 53 -9.367 5.967 -3.917 1.00 0.00 N ATOM 839 CA ILE A 53 -9.211 4.896 -4.886 1.00 0.00 C ATOM 840 C ILE A 53 -10.313 3.856 -4.673 1.00 0.00 C ATOM 841 O ILE A 53 -11.058 3.927 -3.698 1.00 0.00 O ATOM 842 CB ILE A 53 -7.797 4.315 -4.819 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.648 3.369 -3.625 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.747 5.428 -4.802 1.00 0.00 C ATOM 845 CD1 ILE A 53 -7.131 2.000 -4.072 1.00 0.00 C ATOM 0 H ILE A 53 -9.460 5.657 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.326 5.280 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.628 3.725 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.961 3.801 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.610 3.253 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.751 4.988 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.836 6.026 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.905 6.064 -3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.034 1.347 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.832 1.560 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.158 2.117 -4.549 1.00 0.00 H new ATOM 857 N GLU A 54 -10.382 2.915 -5.603 1.00 0.00 N ATOM 858 CA GLU A 54 -11.380 1.862 -5.530 1.00 0.00 C ATOM 859 C GLU A 54 -10.709 0.489 -5.589 1.00 0.00 C ATOM 860 O GLU A 54 -9.733 0.302 -6.313 1.00 0.00 O ATOM 861 CB GLU A 54 -12.419 2.013 -6.643 1.00 0.00 C ATOM 862 CG GLU A 54 -13.835 2.083 -6.066 1.00 0.00 C ATOM 863 CD GLU A 54 -14.778 2.824 -7.016 1.00 0.00 C ATOM 864 OE1 GLU A 54 -14.936 2.416 -8.176 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.358 3.859 -6.511 1.00 0.00 O ATOM 0 H GLU A 54 -9.763 2.860 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.902 1.949 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.212 2.915 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.344 1.171 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.210 1.075 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.814 2.589 -5.101 1.00 0.00 H new ATOM 873 N VAL A 55 -11.260 -0.437 -4.818 1.00 0.00 N ATOM 874 CA VAL A 55 -10.727 -1.788 -4.773 1.00 0.00 C ATOM 875 C VAL A 55 -11.127 -2.532 -6.049 1.00 0.00 C ATOM 876 O VAL A 55 -12.075 -2.141 -6.728 1.00 0.00 O ATOM 877 CB VAL A 55 -11.193 -2.493 -3.498 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.100 -3.412 -2.948 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.640 -1.480 -2.443 1.00 0.00 C ATOM 0 H VAL A 55 -12.070 -0.278 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.638 -1.768 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.053 -3.112 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.458 -3.901 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.851 -4.167 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.212 -2.824 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.966 -2.008 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.807 -0.823 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.466 -0.886 -2.835 1.00 0.00 H new ATOM 889 N THR A 56 -10.385 -3.592 -6.335 1.00 0.00 N ATOM 890 CA THR A 56 -10.651 -4.394 -7.517 1.00 0.00 C ATOM 891 C THR A 56 -10.659 -5.882 -7.161 1.00 0.00 C ATOM 892 O THR A 56 -11.540 -6.623 -7.594 1.00 0.00 O ATOM 893 CB THR A 56 -9.612 -4.029 -8.580 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.904 -4.905 -9.666 1.00 0.00 O ATOM 895 CG2 THR A 56 -8.190 -4.412 -8.164 1.00 0.00 C ATOM 0 H THR A 56 -9.600 -3.914 -5.769 1.00 0.00 H new ATOM 0 HA THR A 56 -11.640 -4.184 -7.923 1.00 0.00 H new ATOM 0 HB THR A 56 -9.656 -2.958 -8.778 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.278 -4.735 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.492 -4.132 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.927 -3.890 -7.244 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.137 -5.488 -7.998 1.00 0.00 H new ATOM 903 N ALA A 57 -9.668 -6.275 -6.375 1.00 0.00 N ATOM 904 CA ALA A 57 -9.549 -7.661 -5.956 1.00 0.00 C ATOM 905 C ALA A 57 -8.934 -7.715 -4.556 1.00 0.00 C ATOM 906 O ALA A 57 -8.437 -6.709 -4.053 1.00 0.00 O ATOM 907 CB ALA A 57 -8.726 -8.438 -6.985 1.00 0.00 C ATOM 0 H ALA A 57 -8.939 -5.657 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.531 -8.131 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.637 -9.478 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.221 -8.394 -7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.732 -7.997 -7.064 1.00 0.00 H new ATOM 913 N THR A 58 -8.989 -8.900 -3.966 1.00 0.00 N ATOM 914 CA THR A 58 -8.443 -9.099 -2.634 1.00 0.00 C ATOM 915 C THR A 58 -7.869 -10.510 -2.498 1.00 0.00 C ATOM 916 O THR A 58 -8.403 -11.459 -3.070 1.00 0.00 O ATOM 917 CB THR A 58 -9.547 -8.791 -1.620 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.622 -7.368 -1.609 1.00 0.00 O ATOM 919 CG2 THR A 58 -9.146 -9.155 -0.189 1.00 0.00 C ATOM 0 H THR A 58 -9.403 -9.732 -4.386 1.00 0.00 H new ATOM 0 HA THR A 58 -7.609 -8.424 -2.443 1.00 0.00 H new ATOM 0 HB THR A 58 -10.452 -9.335 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.562 -7.090 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.965 -8.916 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.927 -10.221 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.261 -8.587 0.096 1.00 0.00 H new ATOM 927 N SER A 59 -6.789 -10.605 -1.736 1.00 0.00 N ATOM 928 CA SER A 59 -6.137 -11.884 -1.517 1.00 0.00 C ATOM 929 C SER A 59 -5.310 -11.837 -0.231 1.00 0.00 C ATOM 930 O SER A 59 -5.066 -10.762 0.315 1.00 0.00 O ATOM 931 CB SER A 59 -5.250 -12.261 -2.705 1.00 0.00 C ATOM 932 OG SER A 59 -5.113 -11.186 -3.631 1.00 0.00 O ATOM 0 H SER A 59 -6.349 -9.816 -1.262 1.00 0.00 H new ATOM 0 HA SER A 59 -6.908 -12.648 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.265 -12.556 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.674 -13.126 -3.214 1.00 0.00 H new ATOM 0 HG SER A 59 -4.539 -11.466 -4.374 1.00 0.00 H new ATOM 938 N THR A 60 -4.900 -13.015 0.215 1.00 0.00 N ATOM 939 CA THR A 60 -4.105 -13.122 1.427 1.00 0.00 C ATOM 940 C THR A 60 -2.651 -13.452 1.083 1.00 0.00 C ATOM 941 O THR A 60 -2.364 -14.521 0.547 1.00 0.00 O ATOM 942 CB THR A 60 -4.766 -14.160 2.336 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.372 -15.079 1.431 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.942 -13.583 3.126 1.00 0.00 C ATOM 0 H THR A 60 -5.103 -13.904 -0.241 1.00 0.00 H new ATOM 0 HA THR A 60 -4.072 -12.174 1.964 1.00 0.00 H new ATOM 0 HB THR A 60 -4.025 -14.559 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.822 -15.787 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.375 -14.361 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.592 -12.763 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.699 -13.213 2.434 1.00 0.00 H new ATOM 952 N VAL A 61 -1.773 -12.514 1.407 1.00 0.00 N ATOM 953 CA VAL A 61 -0.356 -12.692 1.139 1.00 0.00 C ATOM 954 C VAL A 61 0.451 -11.776 2.061 1.00 0.00 C ATOM 955 O VAL A 61 -0.118 -10.978 2.804 1.00 0.00 O ATOM 956 CB VAL A 61 -0.069 -12.450 -0.344 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.845 -13.538 -0.911 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.369 -12.354 -1.146 1.00 0.00 C ATOM 0 H VAL A 61 -2.015 -11.629 1.852 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.053 -13.717 1.352 1.00 0.00 H new ATOM 0 HB VAL A 61 0.451 -11.496 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.033 -13.342 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.790 -13.538 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.364 -14.510 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.136 -12.182 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.928 -13.284 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.970 -11.527 -0.767 1.00 0.00 H new ATOM 968 N THR A 62 1.766 -11.922 1.984 1.00 0.00 N ATOM 969 CA THR A 62 2.658 -11.118 2.802 1.00 0.00 C ATOM 970 C THR A 62 2.824 -9.723 2.197 1.00 0.00 C ATOM 971 O THR A 62 1.940 -9.239 1.492 1.00 0.00 O ATOM 972 CB THR A 62 3.978 -11.877 2.949 1.00 0.00 C ATOM 973 OG1 THR A 62 3.579 -13.212 3.252 1.00 0.00 O ATOM 974 CG2 THR A 62 4.772 -11.438 4.181 1.00 0.00 C ATOM 0 H THR A 62 2.235 -12.585 1.367 1.00 0.00 H new ATOM 0 HA THR A 62 2.245 -10.959 3.798 1.00 0.00 H new ATOM 0 HB THR A 62 4.583 -11.728 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.374 -13.774 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.700 -12.008 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.003 -10.375 4.105 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.180 -11.618 5.078 1.00 0.00 H new ATOM 982 N LEU A 63 3.963 -9.115 2.495 1.00 0.00 N ATOM 983 CA LEU A 63 4.256 -7.785 1.990 1.00 0.00 C ATOM 984 C LEU A 63 5.165 -7.898 0.765 1.00 0.00 C ATOM 985 O LEU A 63 4.737 -7.633 -0.357 1.00 0.00 O ATOM 986 CB LEU A 63 4.829 -6.903 3.101 1.00 0.00 C ATOM 987 CG LEU A 63 5.934 -7.532 3.953 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.278 -6.845 3.702 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.555 -7.524 5.436 1.00 0.00 C ATOM 0 H LEU A 63 4.694 -9.519 3.080 1.00 0.00 H new ATOM 0 HA LEU A 63 3.340 -7.292 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.220 -5.992 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.013 -6.607 3.760 1.00 0.00 H new ATOM 0 HG LEU A 63 6.044 -8.574 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.046 -7.311 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.547 -6.946 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.200 -5.788 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.357 -7.976 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.401 -6.497 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.637 -8.093 5.580 1.00 0.00 H new ATOM 1001 N ASP A 64 6.404 -8.293 1.021 1.00 0.00 N ATOM 1002 CA ASP A 64 7.377 -8.445 -0.047 1.00 0.00 C ATOM 1003 C ASP A 64 6.839 -9.431 -1.085 1.00 0.00 C ATOM 1004 O ASP A 64 7.413 -9.579 -2.163 1.00 0.00 O ATOM 1005 CB ASP A 64 8.700 -8.997 0.488 1.00 0.00 C ATOM 1006 CG ASP A 64 9.951 -8.490 -0.233 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.866 -7.672 -1.161 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.064 -8.976 0.200 1.00 0.00 O ATOM 0 H ASP A 64 6.756 -8.512 1.953 1.00 0.00 H new ATOM 0 HA ASP A 64 7.548 -7.464 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.781 -8.744 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.676 -10.085 0.421 1.00 0.00 H new ATOM 1014 N THR A 65 5.742 -10.082 -0.724 1.00 0.00 N ATOM 1015 CA THR A 65 5.120 -11.050 -1.611 1.00 0.00 C ATOM 1016 C THR A 65 4.394 -10.337 -2.753 1.00 0.00 C ATOM 1017 O THR A 65 3.845 -10.984 -3.644 1.00 0.00 O ATOM 1018 CB THR A 65 4.203 -11.940 -0.770 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.667 -11.057 0.212 1.00 0.00 O ATOM 1020 CG2 THR A 65 4.979 -12.976 0.045 1.00 0.00 C ATOM 0 H THR A 65 5.268 -9.958 0.171 1.00 0.00 H new ATOM 0 HA THR A 65 5.866 -11.686 -2.089 1.00 0.00 H new ATOM 0 HB THR A 65 3.494 -12.449 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.315 -10.254 -0.227 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.281 -13.581 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.545 -13.619 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.665 -12.467 0.722 1.00 0.00 H new ATOM 1028 N LEU A 66 4.414 -9.014 -2.690 1.00 0.00 N ATOM 1029 CA LEU A 66 3.764 -8.206 -3.708 1.00 0.00 C ATOM 1030 C LEU A 66 4.090 -6.731 -3.468 1.00 0.00 C ATOM 1031 O LEU A 66 4.348 -5.986 -4.412 1.00 0.00 O ATOM 1032 CB LEU A 66 2.264 -8.505 -3.753 1.00 0.00 C ATOM 1033 CG LEU A 66 1.582 -8.717 -2.399 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.986 -7.410 -1.875 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.537 -9.832 -2.481 1.00 0.00 C ATOM 0 H LEU A 66 4.870 -8.481 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 66 4.146 -8.460 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.765 -7.682 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.109 -9.398 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 66 2.338 -9.036 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.508 -7.589 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.778 -6.671 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.247 -7.037 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.067 -9.963 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.222 -9.566 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.020 -10.763 -2.778 1.00 0.00 H new ATOM 1047 N THR A 67 4.069 -6.352 -2.198 1.00 0.00 N ATOM 1048 CA THR A 67 4.359 -4.979 -1.822 1.00 0.00 C ATOM 1049 C THR A 67 5.560 -4.453 -2.610 1.00 0.00 C ATOM 1050 O THR A 67 6.418 -5.227 -3.031 1.00 0.00 O ATOM 1051 CB THR A 67 4.561 -4.937 -0.306 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.203 -3.606 0.056 1.00 0.00 O ATOM 1053 CG2 THR A 67 6.034 -5.047 0.092 1.00 0.00 C ATOM 0 H THR A 67 3.856 -6.972 -1.417 1.00 0.00 H new ATOM 0 HA THR A 67 3.530 -4.316 -2.072 1.00 0.00 H new ATOM 0 HB THR A 67 3.998 -5.748 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.303 -3.492 1.024 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.121 -5.012 1.178 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.440 -5.990 -0.274 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.591 -4.218 -0.344 1.00 0.00 H new ATOM 1061 N GLU A 68 5.583 -3.140 -2.784 1.00 0.00 N ATOM 1062 CA GLU A 68 6.665 -2.500 -3.514 1.00 0.00 C ATOM 1063 C GLU A 68 8.017 -3.007 -3.009 1.00 0.00 C ATOM 1064 O GLU A 68 9.014 -2.949 -3.728 1.00 0.00 O ATOM 1065 CB GLU A 68 6.574 -0.977 -3.406 1.00 0.00 C ATOM 1066 CG GLU A 68 5.844 -0.384 -4.613 1.00 0.00 C ATOM 1067 CD GLU A 68 6.825 0.309 -5.561 1.00 0.00 C ATOM 1068 OE1 GLU A 68 7.643 -0.362 -6.206 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.715 1.593 -5.615 1.00 0.00 O ATOM 0 H GLU A 68 4.870 -2.501 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 68 6.572 -2.762 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.050 -0.705 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.576 -0.553 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.314 -1.173 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.094 0.331 -4.274 1.00 0.00 H new ATOM 1077 N LYS A 69 8.009 -3.491 -1.776 1.00 0.00 N ATOM 1078 CA LYS A 69 9.223 -4.006 -1.166 1.00 0.00 C ATOM 1079 C LYS A 69 9.901 -4.978 -2.134 1.00 0.00 C ATOM 1080 O LYS A 69 11.125 -5.100 -2.140 1.00 0.00 O ATOM 1081 CB LYS A 69 8.918 -4.615 0.204 1.00 0.00 C ATOM 1082 CG LYS A 69 10.206 -4.888 0.982 1.00 0.00 C ATOM 1083 CD LYS A 69 9.989 -5.974 2.039 1.00 0.00 C ATOM 1084 CE LYS A 69 11.202 -6.088 2.964 1.00 0.00 C ATOM 1085 NZ LYS A 69 12.146 -7.109 2.458 1.00 0.00 N ATOM 0 H LYS A 69 7.181 -3.537 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 69 9.929 -3.197 -0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.282 -3.938 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.362 -5.544 0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.992 -5.198 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.546 -3.971 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.100 -5.743 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.808 -6.931 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.704 -5.123 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.876 -6.352 3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.264 -7.857 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.772 -7.524 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.067 -6.665 2.266 1.00 0.00 H new ATOM 1098 N HIS A 70 9.077 -5.645 -2.928 1.00 0.00 N ATOM 1099 CA HIS A 70 9.582 -6.602 -3.897 1.00 0.00 C ATOM 1100 C HIS A 70 10.355 -5.864 -4.992 1.00 0.00 C ATOM 1101 O HIS A 70 11.514 -6.178 -5.257 1.00 0.00 O ATOM 1102 CB HIS A 70 8.446 -7.464 -4.452 1.00 0.00 C ATOM 1103 CG HIS A 70 8.885 -8.456 -5.502 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.302 -8.075 -6.766 1.00 0.00 N ATOM 1105 CD2 HIS A 70 8.967 -9.817 -5.464 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.618 -9.165 -7.448 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.410 -10.244 -6.640 1.00 0.00 N ATOM 0 H HIS A 70 8.062 -5.541 -2.920 1.00 0.00 H new ATOM 0 HA HIS A 70 10.275 -7.287 -3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.978 -8.005 -3.629 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.684 -6.812 -4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.714 -10.441 -4.620 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.978 -9.195 -8.466 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.569 -11.218 -6.897 1.00 0.00 H new ATOM 1115 N ALA A 71 9.682 -4.897 -5.598 1.00 0.00 N ATOM 1116 CA ALA A 71 10.291 -4.112 -6.658 1.00 0.00 C ATOM 1117 C ALA A 71 11.565 -3.450 -6.129 1.00 0.00 C ATOM 1118 O ALA A 71 12.558 -3.344 -6.847 1.00 0.00 O ATOM 1119 CB ALA A 71 9.280 -3.092 -7.184 1.00 0.00 C ATOM 0 H ALA A 71 8.721 -4.639 -5.375 1.00 0.00 H new ATOM 0 HA ALA A 71 10.574 -4.751 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.737 -2.503 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.407 -3.614 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.975 -2.431 -6.373 1.00 0.00 H new ATOM 1125 N GLU A 72 11.495 -3.023 -4.877 1.00 0.00 N ATOM 1126 CA GLU A 72 12.630 -2.374 -4.243 1.00 0.00 C ATOM 1127 C GLU A 72 13.746 -3.389 -3.986 1.00 0.00 C ATOM 1128 O GLU A 72 14.915 -3.112 -4.250 1.00 0.00 O ATOM 1129 CB GLU A 72 12.211 -1.680 -2.946 1.00 0.00 C ATOM 1130 CG GLU A 72 12.873 -0.306 -2.821 1.00 0.00 C ATOM 1131 CD GLU A 72 11.945 0.688 -2.118 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.744 0.416 -1.969 1.00 0.00 O ATOM 1133 OE2 GLU A 72 12.513 1.775 -1.719 1.00 0.00 O ATOM 0 H GLU A 72 10.670 -3.114 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 72 13.010 -1.608 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.127 -1.569 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.486 -2.299 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.805 -0.397 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.130 0.069 -3.812 1.00 0.00 H new ATOM 1141 N GLN A 73 13.346 -4.544 -3.475 1.00 0.00 N ATOM 1142 CA GLN A 73 14.297 -5.601 -3.179 1.00 0.00 C ATOM 1143 C GLN A 73 15.183 -5.874 -4.397 1.00 0.00 C ATOM 1144 O GLN A 73 16.369 -6.166 -4.253 1.00 0.00 O ATOM 1145 CB GLN A 73 13.579 -6.875 -2.728 1.00 0.00 C ATOM 1146 CG GLN A 73 14.071 -7.323 -1.350 1.00 0.00 C ATOM 1147 CD GLN A 73 15.040 -8.501 -1.471 1.00 0.00 C ATOM 1148 OE1 GLN A 73 15.187 -9.113 -2.516 1.00 0.00 O ATOM 1149 NE2 GLN A 73 15.690 -8.783 -0.345 1.00 0.00 N ATOM 0 H GLN A 73 12.375 -4.771 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 73 14.933 -5.271 -2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.504 -6.698 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.749 -7.669 -3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.565 -6.491 -0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.220 -7.609 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.519 -8.230 0.495 1.00 0.00 H new ATOM 0 HE22 GLN A 73 16.359 -9.552 -0.321 1.00 0.00 H new ATOM 1158 N GLU A 74 14.573 -5.768 -5.568 1.00 0.00 N ATOM 1159 CA GLU A 74 15.292 -5.999 -6.809 1.00 0.00 C ATOM 1160 C GLU A 74 15.716 -4.668 -7.433 1.00 0.00 C ATOM 1161 O GLU A 74 15.853 -4.565 -8.651 1.00 0.00 O ATOM 1162 CB GLU A 74 14.447 -6.819 -7.787 1.00 0.00 C ATOM 1163 CG GLU A 74 15.133 -8.144 -8.128 1.00 0.00 C ATOM 1164 CD GLU A 74 15.072 -8.422 -9.631 1.00 0.00 C ATOM 1165 OE1 GLU A 74 14.184 -7.902 -10.322 1.00 0.00 O ATOM 1166 OE2 GLU A 74 15.990 -9.210 -10.077 1.00 0.00 O ATOM 0 H GLU A 74 13.589 -5.525 -5.684 1.00 0.00 H new ATOM 0 HA GLU A 74 16.190 -6.574 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.467 -7.014 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.282 -6.246 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.173 -8.114 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.652 -8.957 -7.584 1.00 0.00 H new ATOM 1174 N ASN A 75 15.911 -3.682 -6.570 1.00 0.00 N ATOM 1175 CA ASN A 75 16.317 -2.362 -7.021 1.00 0.00 C ATOM 1176 C ASN A 75 17.206 -1.715 -5.957 1.00 0.00 C ATOM 1177 O ASN A 75 18.370 -1.412 -6.217 1.00 0.00 O ATOM 1178 CB ASN A 75 15.103 -1.457 -7.236 1.00 0.00 C ATOM 1179 CG ASN A 75 14.723 -1.391 -8.717 1.00 0.00 C ATOM 1180 OD1 ASN A 75 14.184 -2.325 -9.288 1.00 0.00 O ATOM 1181 ND2 ASN A 75 15.033 -0.239 -9.304 1.00 0.00 N ATOM 0 H ASN A 75 15.795 -3.771 -5.560 1.00 0.00 H new ATOM 0 HA ASN A 75 16.853 -2.477 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.259 -1.831 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.323 -0.455 -6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.820 -0.096 -10.291 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.484 0.502 -8.767 1.00 0.00 H new ATOM 1188 N MET A 76 16.625 -1.524 -4.782 1.00 0.00 N ATOM 1189 CA MET A 76 17.350 -0.919 -3.678 1.00 0.00 C ATOM 1190 C MET A 76 18.051 -1.985 -2.833 1.00 0.00 C ATOM 1191 O MET A 76 17.921 -3.178 -3.100 1.00 0.00 O ATOM 1192 CB MET A 76 16.378 -0.129 -2.800 1.00 0.00 C ATOM 1193 CG MET A 76 15.511 0.806 -3.647 1.00 0.00 C ATOM 1194 SD MET A 76 16.518 2.098 -4.355 1.00 0.00 S ATOM 1195 CE MET A 76 15.638 2.373 -5.884 1.00 0.00 C ATOM 0 H MET A 76 15.660 -1.778 -4.570 1.00 0.00 H new ATOM 0 HA MET A 76 18.107 -0.251 -4.088 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.741 -0.818 -2.245 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.936 0.452 -2.065 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.020 0.241 -4.439 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.724 1.243 -3.032 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.710 3.425 -6.161 1.00 0.00 H new ATOM 0 HE2 MET A 76 16.076 1.760 -6.671 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.590 2.102 -5.754 1.00 0.00 H new ATOM 1205 N THR A 77 18.778 -1.515 -1.830 1.00 0.00 N ATOM 1206 CA THR A 77 19.499 -2.413 -0.944 1.00 0.00 C ATOM 1207 C THR A 77 18.618 -2.814 0.241 1.00 0.00 C ATOM 1208 O THR A 77 17.425 -2.517 0.260 1.00 0.00 O ATOM 1209 CB THR A 77 20.799 -1.722 -0.527 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.425 -2.658 0.347 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.555 -0.495 0.354 1.00 0.00 C ATOM 0 H THR A 77 18.883 -0.524 -1.611 1.00 0.00 H new ATOM 0 HA THR A 77 19.756 -3.345 -1.448 1.00 0.00 H new ATOM 0 HB THR A 77 21.353 -1.424 -1.417 1.00 0.00 H new ATOM 0 HG1 THR A 77 22.277 -2.291 0.663 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.510 -0.043 0.621 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.950 0.230 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 77 20.030 -0.797 1.261 1.00 0.00 H new ATOM 1219 N LEU A 78 19.241 -3.484 1.200 1.00 0.00 N ATOM 1220 CA LEU A 78 18.528 -3.930 2.385 1.00 0.00 C ATOM 1221 C LEU A 78 18.183 -2.718 3.253 1.00 0.00 C ATOM 1222 O LEU A 78 17.108 -2.663 3.849 1.00 0.00 O ATOM 1223 CB LEU A 78 19.331 -5.004 3.121 1.00 0.00 C ATOM 1224 CG LEU A 78 18.779 -6.429 3.037 1.00 0.00 C ATOM 1225 CD1 LEU A 78 18.744 -6.919 1.588 1.00 0.00 C ATOM 1226 CD2 LEU A 78 19.568 -7.376 3.944 1.00 0.00 C ATOM 0 H LEU A 78 20.231 -3.729 1.180 1.00 0.00 H new ATOM 0 HA LEU A 78 17.586 -4.403 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.347 -5.005 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 78 19.398 -4.723 4.172 1.00 0.00 H new ATOM 0 HG LEU A 78 17.751 -6.419 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.348 -7.934 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 78 18.106 -6.262 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.753 -6.911 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.156 -8.382 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.614 -7.387 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 78 19.497 -7.034 4.977 1.00 0.00 H new ATOM 1238 N THR A 79 19.114 -1.777 3.297 1.00 0.00 N ATOM 1239 CA THR A 79 18.922 -0.569 4.082 1.00 0.00 C ATOM 1240 C THR A 79 17.639 0.147 3.653 1.00 0.00 C ATOM 1241 O THR A 79 16.767 0.413 4.478 1.00 0.00 O ATOM 1242 CB THR A 79 20.177 0.294 3.937 1.00 0.00 C ATOM 1243 OG1 THR A 79 21.056 -0.201 4.943 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.935 1.751 4.338 1.00 0.00 C ATOM 0 H THR A 79 20.004 -1.826 2.802 1.00 0.00 H new ATOM 0 HA THR A 79 18.790 -0.801 5.139 1.00 0.00 H new ATOM 0 HB THR A 79 20.528 0.255 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.897 0.302 4.919 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.857 2.320 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.159 2.179 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.617 1.794 5.380 1.00 0.00 H new ATOM 1252 N GLU A 80 17.566 0.439 2.363 1.00 0.00 N ATOM 1253 CA GLU A 80 16.405 1.119 1.815 1.00 0.00 C ATOM 1254 C GLU A 80 15.140 0.296 2.066 1.00 0.00 C ATOM 1255 O GLU A 80 14.111 0.839 2.467 1.00 0.00 O ATOM 1256 CB GLU A 80 16.588 1.400 0.322 1.00 0.00 C ATOM 1257 CG GLU A 80 16.733 2.901 0.060 1.00 0.00 C ATOM 1258 CD GLU A 80 16.277 3.257 -1.356 1.00 0.00 C ATOM 1259 OE1 GLU A 80 17.079 3.757 -2.159 1.00 0.00 O ATOM 1260 OE2 GLU A 80 15.040 2.995 -1.613 1.00 0.00 O ATOM 0 H GLU A 80 18.292 0.217 1.682 1.00 0.00 H new ATOM 0 HA GLU A 80 16.298 2.078 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.471 0.876 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.734 1.011 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.143 3.459 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.773 3.199 0.197 1.00 0.00 H new ATOM 1268 N LEU A 81 15.257 -1.000 1.821 1.00 0.00 N ATOM 1269 CA LEU A 81 14.135 -1.903 2.016 1.00 0.00 C ATOM 1270 C LEU A 81 13.639 -1.789 3.459 1.00 0.00 C ATOM 1271 O LEU A 81 12.442 -1.900 3.718 1.00 0.00 O ATOM 1272 CB LEU A 81 14.517 -3.328 1.608 1.00 0.00 C ATOM 1273 CG LEU A 81 14.433 -3.642 0.113 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.148 -4.404 -0.216 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.574 -2.369 -0.724 1.00 0.00 C ATOM 0 H LEU A 81 16.112 -1.447 1.489 1.00 0.00 H new ATOM 0 HA LEU A 81 13.304 -1.623 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.536 -3.520 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.870 -4.024 2.142 1.00 0.00 H new ATOM 0 HG LEU A 81 15.269 -4.292 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.113 -4.615 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.129 -5.342 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.285 -3.799 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.511 -2.621 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.774 -1.675 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.538 -1.904 -0.519 1.00 0.00 H new ATOM 1287 N LYS A 82 14.585 -1.569 4.360 1.00 0.00 N ATOM 1288 CA LYS A 82 14.259 -1.439 5.770 1.00 0.00 C ATOM 1289 C LYS A 82 13.586 -0.086 6.011 1.00 0.00 C ATOM 1290 O LYS A 82 12.662 0.018 6.817 1.00 0.00 O ATOM 1291 CB LYS A 82 15.503 -1.668 6.631 1.00 0.00 C ATOM 1292 CG LYS A 82 15.167 -2.504 7.868 1.00 0.00 C ATOM 1293 CD LYS A 82 15.488 -3.982 7.635 1.00 0.00 C ATOM 1294 CE LYS A 82 15.072 -4.830 8.839 1.00 0.00 C ATOM 1295 NZ LYS A 82 15.342 -6.262 8.582 1.00 0.00 N ATOM 0 H LYS A 82 15.577 -1.477 4.141 1.00 0.00 H new ATOM 0 HA LYS A 82 13.547 -2.208 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.269 -2.174 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.919 -0.708 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.732 -2.136 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.110 -2.392 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.971 -4.334 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.556 -4.102 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.616 -4.505 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.011 -4.685 9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.054 -6.823 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.804 -6.573 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.358 -6.398 8.408 1.00 0.00 H new ATOM 1308 N LYS A 83 14.075 0.917 5.297 1.00 0.00 N ATOM 1309 CA LYS A 83 13.532 2.259 5.423 1.00 0.00 C ATOM 1310 C LYS A 83 12.068 2.257 4.978 1.00 0.00 C ATOM 1311 O LYS A 83 11.188 2.680 5.726 1.00 0.00 O ATOM 1312 CB LYS A 83 14.403 3.263 4.664 1.00 0.00 C ATOM 1313 CG LYS A 83 14.798 4.436 5.563 1.00 0.00 C ATOM 1314 CD LYS A 83 13.829 5.608 5.391 1.00 0.00 C ATOM 1315 CE LYS A 83 14.095 6.695 6.435 1.00 0.00 C ATOM 1316 NZ LYS A 83 12.859 7.461 6.711 1.00 0.00 N ATOM 0 H LYS A 83 14.841 0.827 4.629 1.00 0.00 H new ATOM 0 HA LYS A 83 13.549 2.580 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.300 2.765 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.862 3.634 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.805 4.115 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.811 4.758 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.933 6.027 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.803 5.253 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.462 6.241 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.875 7.368 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.056 8.195 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.525 7.909 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.125 6.818 7.072 1.00 0.00 H new ATOM 1329 N VAL A 84 11.852 1.774 3.764 1.00 0.00 N ATOM 1330 CA VAL A 84 10.510 1.710 3.211 1.00 0.00 C ATOM 1331 C VAL A 84 9.618 0.886 4.142 1.00 0.00 C ATOM 1332 O VAL A 84 8.527 1.320 4.507 1.00 0.00 O ATOM 1333 CB VAL A 84 10.557 1.158 1.785 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.443 2.027 0.890 1.00 0.00 C ATOM 1335 CG2 VAL A 84 11.027 -0.298 1.776 1.00 0.00 C ATOM 0 H VAL A 84 12.584 1.423 3.147 1.00 0.00 H new ATOM 0 HA VAL A 84 10.077 2.708 3.145 1.00 0.00 H new ATOM 0 HB VAL A 84 9.545 1.185 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.459 1.613 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.045 3.041 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.457 2.047 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.051 -0.666 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.026 -0.361 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.339 -0.906 2.363 1.00 0.00 H new ATOM 1345 N ILE A 85 10.117 -0.288 4.500 1.00 0.00 N ATOM 1346 CA ILE A 85 9.379 -1.177 5.382 1.00 0.00 C ATOM 1347 C ILE A 85 8.909 -0.395 6.610 1.00 0.00 C ATOM 1348 O ILE A 85 7.777 -0.561 7.061 1.00 0.00 O ATOM 1349 CB ILE A 85 10.217 -2.411 5.722 1.00 0.00 C ATOM 1350 CG1 ILE A 85 10.279 -3.375 4.536 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.698 -3.094 6.989 1.00 0.00 C ATOM 1352 CD1 ILE A 85 9.001 -4.211 4.440 1.00 0.00 C ATOM 0 H ILE A 85 11.023 -0.644 4.196 1.00 0.00 H new ATOM 0 HA ILE A 85 8.486 -1.554 4.883 1.00 0.00 H new ATOM 0 HB ILE A 85 11.237 -2.086 5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.420 -2.813 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.141 -4.033 4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.311 -3.968 7.208 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.748 -2.396 7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.664 -3.405 6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.072 -4.888 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.876 -4.791 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.144 -3.551 4.309 1.00 0.00 H new ATOM 1364 N ALA A 86 9.803 0.441 7.118 1.00 0.00 N ATOM 1365 CA ALA A 86 9.495 1.249 8.285 1.00 0.00 C ATOM 1366 C ALA A 86 8.486 2.333 7.898 1.00 0.00 C ATOM 1367 O ALA A 86 7.754 2.837 8.748 1.00 0.00 O ATOM 1368 CB ALA A 86 10.787 1.833 8.859 1.00 0.00 C ATOM 0 H ALA A 86 10.741 0.576 6.742 1.00 0.00 H new ATOM 0 HA ALA A 86 9.040 0.638 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.555 2.439 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.457 1.022 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.272 2.454 8.106 1.00 0.00 H new ATOM 1374 N ASP A 87 8.480 2.659 6.614 1.00 0.00 N ATOM 1375 CA ASP A 87 7.574 3.673 6.104 1.00 0.00 C ATOM 1376 C ASP A 87 6.193 3.053 5.882 1.00 0.00 C ATOM 1377 O ASP A 87 5.177 3.738 5.985 1.00 0.00 O ATOM 1378 CB ASP A 87 8.065 4.227 4.764 1.00 0.00 C ATOM 1379 CG ASP A 87 8.601 5.659 4.814 1.00 0.00 C ATOM 1380 OD1 ASP A 87 9.400 6.012 5.694 1.00 0.00 O ATOM 1381 OD2 ASP A 87 8.161 6.438 3.885 1.00 0.00 O ATOM 0 H ASP A 87 9.088 2.239 5.912 1.00 0.00 H new ATOM 0 HA ASP A 87 7.528 4.481 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.851 3.574 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.244 4.187 4.049 1.00 0.00 H new ATOM 1387 N ILE A 88 6.201 1.762 5.581 1.00 0.00 N ATOM 1388 CA ILE A 88 4.962 1.042 5.344 1.00 0.00 C ATOM 1389 C ILE A 88 4.425 0.509 6.674 1.00 0.00 C ATOM 1390 O ILE A 88 3.339 0.893 7.107 1.00 0.00 O ATOM 1391 CB ILE A 88 5.168 -0.043 4.285 1.00 0.00 C ATOM 1392 CG1 ILE A 88 6.444 0.211 3.480 1.00 0.00 C ATOM 1393 CG2 ILE A 88 3.938 -0.169 3.383 1.00 0.00 C ATOM 1394 CD1 ILE A 88 6.339 -0.393 2.079 1.00 0.00 C ATOM 0 H ILE A 88 7.046 1.197 5.496 1.00 0.00 H new ATOM 0 HA ILE A 88 4.203 1.711 4.939 1.00 0.00 H new ATOM 0 HB ILE A 88 5.294 -0.998 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.623 1.284 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.299 -0.219 4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.110 -0.947 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.069 -0.431 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.757 0.781 2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.259 -0.198 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.184 -1.469 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.498 0.057 1.551 1.00 0.00 H new ATOM 1406 N TYR A 89 5.209 -0.368 7.284 1.00 0.00 N ATOM 1407 CA TYR A 89 4.825 -0.957 8.555 1.00 0.00 C ATOM 1408 C TYR A 89 5.757 -2.112 8.928 1.00 0.00 C ATOM 1409 O TYR A 89 6.234 -2.836 8.056 1.00 0.00 O ATOM 1410 CB TYR A 89 3.410 -1.505 8.356 1.00 0.00 C ATOM 1411 CG TYR A 89 3.183 -2.164 6.994 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.766 -3.383 6.712 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.397 -1.540 6.048 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.553 -4.004 5.431 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.184 -2.161 4.766 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.772 -3.362 4.521 1.00 0.00 C ATOM 1417 OH TYR A 89 2.571 -3.948 3.310 1.00 0.00 O ATOM 0 H TYR A 89 6.108 -0.685 6.921 1.00 0.00 H new ATOM 0 HA TYR A 89 4.879 -0.216 9.353 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.200 -2.233 9.140 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.696 -0.691 8.478 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.382 -3.871 7.453 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.941 -0.586 6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.003 -4.958 5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.571 -1.683 4.016 1.00 0.00 H new ATOM 0 HH TYR A 89 1.954 -3.401 2.780 1.00 0.00 H new ATOM 1427 N PRO A 90 5.996 -2.251 10.260 1.00 0.00 N ATOM 1428 CA PRO A 90 6.862 -3.304 10.759 1.00 0.00 C ATOM 1429 C PRO A 90 6.160 -4.663 10.708 1.00 0.00 C ATOM 1430 O PRO A 90 4.937 -4.729 10.593 1.00 0.00 O ATOM 1431 CB PRO A 90 7.227 -2.877 12.171 1.00 0.00 C ATOM 1432 CG PRO A 90 6.188 -1.845 12.576 1.00 0.00 C ATOM 1433 CD PRO A 90 5.448 -1.412 11.321 1.00 0.00 C ATOM 0 HA PRO A 90 7.758 -3.434 10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.217 -3.729 12.851 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.231 -2.454 12.204 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.493 -2.267 13.302 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.666 -0.989 13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.373 -1.557 11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.608 -0.354 11.112 1.00 0.00 H new ATOM 1441 N GLY A 91 6.964 -5.712 10.795 1.00 0.00 N ATOM 1442 CA GLY A 91 6.435 -7.065 10.759 1.00 0.00 C ATOM 1443 C GLY A 91 6.516 -7.649 9.347 1.00 0.00 C ATOM 1444 O GLY A 91 5.984 -7.070 8.401 1.00 0.00 O ATOM 0 H GLY A 91 7.978 -5.653 10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.994 -7.696 11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.399 -7.063 11.096 1.00 0.00 H new ATOM 1448 N GLN A 92 7.185 -8.788 9.250 1.00 0.00 N ATOM 1449 CA GLN A 92 7.343 -9.457 7.970 1.00 0.00 C ATOM 1450 C GLN A 92 6.634 -10.813 7.989 1.00 0.00 C ATOM 1451 O GLN A 92 7.244 -11.840 7.694 1.00 0.00 O ATOM 1452 CB GLN A 92 8.822 -9.616 7.612 1.00 0.00 C ATOM 1453 CG GLN A 92 9.063 -9.317 6.131 1.00 0.00 C ATOM 1454 CD GLN A 92 10.557 -9.349 5.802 1.00 0.00 C ATOM 1455 OE1 GLN A 92 11.364 -8.647 6.389 1.00 0.00 O ATOM 1456 NE2 GLN A 92 10.878 -10.201 4.832 1.00 0.00 N ATOM 0 H GLN A 92 7.624 -9.265 10.037 1.00 0.00 H new ATOM 0 HA GLN A 92 6.882 -8.838 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.422 -8.944 8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.148 -10.631 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.536 -10.048 5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.653 -8.338 5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.152 -10.759 4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.850 -10.296 4.538 1.00 0.00 H new ATOM 1465 N THR A 93 5.357 -10.773 8.338 1.00 0.00 N ATOM 1466 CA THR A 93 4.559 -11.986 8.399 1.00 0.00 C ATOM 1467 C THR A 93 3.340 -11.869 7.482 1.00 0.00 C ATOM 1468 O THR A 93 2.846 -10.770 7.238 1.00 0.00 O ATOM 1469 CB THR A 93 4.197 -12.240 9.863 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.174 -11.286 10.138 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.328 -11.861 10.821 1.00 0.00 C ATOM 0 H THR A 93 4.855 -9.919 8.582 1.00 0.00 H new ATOM 0 HA THR A 93 5.119 -12.847 8.034 1.00 0.00 H new ATOM 0 HB THR A 93 3.946 -13.292 9.997 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.879 -11.381 11.068 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.018 -12.061 11.847 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.215 -12.450 10.588 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.558 -10.801 10.712 1.00 0.00 H new ATOM 1479 N GLN A 94 2.890 -13.018 7.000 1.00 0.00 N ATOM 1480 CA GLN A 94 1.738 -13.058 6.116 1.00 0.00 C ATOM 1481 C GLN A 94 0.621 -12.165 6.658 1.00 0.00 C ATOM 1482 O GLN A 94 0.490 -11.995 7.870 1.00 0.00 O ATOM 1483 CB GLN A 94 1.246 -14.494 5.921 1.00 0.00 C ATOM 1484 CG GLN A 94 2.155 -15.260 4.958 1.00 0.00 C ATOM 1485 CD GLN A 94 2.388 -16.691 5.445 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.516 -16.959 6.629 1.00 0.00 O ATOM 1487 NE2 GLN A 94 2.435 -17.594 4.469 1.00 0.00 N ATOM 0 H GLN A 94 3.302 -13.928 7.205 1.00 0.00 H new ATOM 0 HA GLN A 94 2.040 -12.676 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.216 -15.006 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.227 -14.484 5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.705 -15.279 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.110 -14.743 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.320 -17.302 3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.586 -18.578 4.691 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.157 -11.617 5.736 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.258 -10.745 6.106 1.00 0.00 C ATOM 1498 C PHE A 95 -2.253 -10.598 4.953 1.00 0.00 C ATOM 1499 O PHE A 95 -2.086 -11.215 3.902 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.657 -9.375 6.424 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.479 -9.104 7.919 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.558 -9.127 8.747 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.757 -8.842 8.420 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.393 -8.876 10.135 1.00 0.00 C ATOM 1505 CE2 PHE A 95 0.922 -8.591 9.808 1.00 0.00 C ATOM 1506 CZ PHE A 95 -0.157 -8.613 10.636 1.00 0.00 C ATOM 0 H PHE A 95 -0.046 -11.761 4.732 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.792 -11.162 6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.312 -9.292 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.297 -8.602 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.540 -9.336 8.349 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.614 -8.825 7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.250 -8.894 10.793 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.904 -8.383 10.206 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.032 -8.422 11.691 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.266 -9.777 5.189 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.287 -9.541 4.183 1.00 0.00 C ATOM 1518 C TYR A 96 -3.788 -8.570 3.111 1.00 0.00 C ATOM 1519 O TYR A 96 -3.106 -7.594 3.422 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.467 -8.905 4.921 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.729 -9.770 4.938 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.678 -11.055 5.439 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.918 -9.264 4.454 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.866 -11.868 5.456 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.106 -10.078 4.470 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.022 -11.340 4.970 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.144 -12.108 4.986 1.00 0.00 O ATOM 0 H TYR A 96 -3.401 -9.267 6.062 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.558 -10.472 3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.169 -8.695 5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.701 -7.948 4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.747 -11.450 5.818 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.958 -8.258 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.840 -12.875 5.846 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.043 -9.695 4.093 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.893 -11.601 4.609 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.146 -8.870 1.872 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.743 -8.036 0.753 1.00 0.00 C ATOM 1539 C VAL A 97 -4.981 -7.635 -0.051 1.00 0.00 C ATOM 1540 O VAL A 97 -5.818 -8.478 -0.371 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.692 -8.762 -0.089 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.398 -7.995 -1.380 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.411 -8.995 0.714 1.00 0.00 C ATOM 0 H VAL A 97 -4.711 -9.680 1.618 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.276 -7.118 1.110 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.097 -9.736 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.648 -8.533 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.313 -7.904 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.024 -7.001 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.681 -9.513 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.002 -8.036 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.636 -9.602 1.591 1.00 0.00 H new ATOM 1553 N ILE A 98 -5.059 -6.347 -0.356 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.181 -5.825 -1.116 1.00 0.00 C ATOM 1555 C ILE A 98 -5.656 -5.099 -2.357 1.00 0.00 C ATOM 1556 O ILE A 98 -4.801 -4.221 -2.252 1.00 0.00 O ATOM 1557 CB ILE A 98 -7.073 -4.956 -0.227 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -7.164 -5.532 1.187 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.454 -4.763 -0.858 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.555 -7.011 1.153 1.00 0.00 C ATOM 0 H ILE A 98 -4.363 -5.650 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.816 -6.639 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.616 -3.970 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.205 -5.417 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.898 -4.971 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.068 -4.142 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.346 -4.276 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.932 -5.733 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.613 -7.396 2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.525 -7.120 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.806 -7.573 0.595 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.191 -5.492 -3.504 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.787 -4.890 -4.763 1.00 0.00 C ATOM 1574 C GLU A 99 -6.769 -3.786 -5.162 1.00 0.00 C ATOM 1575 O GLU A 99 -7.947 -3.844 -4.815 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.672 -5.946 -5.864 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.565 -5.586 -6.856 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.140 -6.809 -7.672 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -3.840 -7.865 -7.095 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.128 -6.635 -8.950 1.00 0.00 O ATOM 0 H GLU A 99 -6.901 -6.220 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.802 -4.443 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.464 -6.919 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.623 -6.033 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.914 -4.801 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.705 -5.187 -6.318 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.246 -2.807 -5.886 1.00 0.00 N ATOM 1589 CA PHE A 100 -7.062 -1.692 -6.336 1.00 0.00 C ATOM 1590 C PHE A 100 -6.568 -1.160 -7.683 1.00 0.00 C ATOM 1591 O PHE A 100 -5.503 -1.553 -8.157 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.930 -0.588 -5.285 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.554 0.081 -5.255 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -5.164 0.880 -6.284 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.721 -0.124 -4.200 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.887 1.501 -6.256 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.444 0.497 -4.172 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.055 1.297 -5.201 1.00 0.00 C ATOM 0 H PHE A 100 -5.268 -2.763 -6.172 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.096 -2.014 -6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.688 0.172 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.139 -1.009 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.825 1.042 -7.122 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.030 -0.759 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.577 2.135 -7.073 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.782 0.334 -3.334 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.084 1.770 -5.180 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.365 -0.274 -8.261 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.022 0.317 -9.544 1.00 0.00 C ATOM 1610 C LYS A 101 -7.663 1.702 -9.651 1.00 0.00 C ATOM 1611 O LYS A 101 -8.731 1.940 -9.088 1.00 0.00 O ATOM 1612 CB LYS A 101 -7.402 -0.627 -10.687 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.742 -0.226 -11.307 1.00 0.00 C ATOM 1614 CD LYS A 101 -9.111 -1.156 -12.464 1.00 0.00 C ATOM 1615 CE LYS A 101 -10.494 -0.815 -13.022 1.00 0.00 C ATOM 1616 NZ LYS A 101 -10.374 -0.198 -14.362 1.00 0.00 N ATOM 0 H LYS A 101 -8.248 0.049 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.944 0.458 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.624 -0.611 -11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.461 -1.650 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.523 -0.258 -10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.688 0.802 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.365 -1.072 -13.255 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.098 -2.191 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.101 -1.718 -13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.008 -0.132 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.322 0.027 -14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.813 0.675 -14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.903 -0.862 -15.009 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.985 2.578 -10.377 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.475 3.933 -10.565 1.00 0.00 C ATOM 1631 C CYS A 102 -8.311 3.968 -11.846 1.00 0.00 C ATOM 1632 O CYS A 102 -7.855 3.529 -12.901 1.00 0.00 O ATOM 1633 CB CYS A 102 -6.332 4.949 -10.601 1.00 0.00 C ATOM 1634 SG CYS A 102 -6.935 6.547 -11.256 1.00 0.00 S ATOM 0 H CYS A 102 -6.100 2.376 -10.842 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.099 4.217 -9.717 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.926 5.087 -9.599 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.521 4.574 -11.225 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.957 7.403 -11.280 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.520 4.494 -11.712 1.00 0.00 N ATOM 1641 CA LEU A 103 -10.423 4.592 -12.846 1.00 0.00 C ATOM 1642 C LEU A 103 -10.838 6.052 -13.037 1.00 0.00 C ATOM 1643 O LEU A 103 -10.337 6.731 -13.933 1.00 0.00 O ATOM 1644 CB LEU A 103 -11.604 3.635 -12.674 1.00 0.00 C ATOM 1645 CG LEU A 103 -12.209 3.560 -11.271 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -13.100 4.772 -10.993 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.954 2.241 -11.064 1.00 0.00 C ATOM 0 H LEU A 103 -9.895 4.857 -10.835 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.920 4.280 -13.762 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.389 3.929 -13.371 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.280 2.635 -12.962 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.395 3.586 -10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.518 4.694 -9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.508 5.684 -11.070 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.910 4.803 -11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.374 2.214 -10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.758 2.159 -11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.262 1.408 -11.190 1.00 0.00 H new TER 1659 LEU A 103