USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.502 F(o=-1.1,f=-0.5) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 24 SER OG : rot -94:sc= 0.0785 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.74 K(o=-1.7,f=-7.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 74:sc= -1.43 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -140:sc= -0.791 USER MOD Single : A 54 MET CE :methyl 130:sc= -3.9 (180deg=-6.81!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -122:sc= 1.11 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.445 F(o=-3.4!,f=-0.44) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 40:sc= -1.52 USER MOD Single : A 90 CYS SG : rot 13:sc= -0.0191 USER MOD Single : A 91 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.8) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0419 USER MOD Single : A 99 LYS NZ :NH3+ -136:sc= 0.251 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 8 -6.449 -19.404 2.022 1.00 0.00 N ATOM 69 CA ASN A 8 -6.515 -18.877 0.665 1.00 0.00 C ATOM 70 C ASN A 8 -5.923 -19.869 -0.331 1.00 0.00 C ATOM 71 O ASN A 8 -4.795 -20.334 -0.163 1.00 0.00 O ATOM 72 CB ASN A 8 -5.777 -17.539 0.577 1.00 0.00 C ATOM 73 CG ASN A 8 -6.695 -16.396 0.191 1.00 0.00 C ATOM 74 OD1 ASN A 8 -7.116 -15.609 1.039 1.00 0.00 O ATOM 75 ND2 ASN A 8 -7.011 -16.299 -1.096 1.00 0.00 N ATOM 0 HA ASN A 8 -7.563 -18.719 0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.313 -17.320 1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.973 -17.618 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.625 -15.550 -1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.639 -16.974 -1.765 1.00 0.00 H new ATOM 82 N GLU A 9 -6.693 -20.193 -1.364 1.00 0.00 N ATOM 83 CA GLU A 9 -6.245 -21.133 -2.385 1.00 0.00 C ATOM 84 C GLU A 9 -5.801 -20.399 -3.647 1.00 0.00 C ATOM 85 O GLU A 9 -4.913 -20.860 -4.365 1.00 0.00 O ATOM 86 CB GLU A 9 -7.364 -22.120 -2.723 1.00 0.00 C ATOM 87 CG GLU A 9 -7.381 -23.349 -1.831 1.00 0.00 C ATOM 88 CD GLU A 9 -8.706 -24.085 -1.878 1.00 0.00 C ATOM 89 OE1 GLU A 9 -9.269 -24.225 -2.984 1.00 0.00 O ATOM 90 OE2 GLU A 9 -9.181 -24.522 -0.808 1.00 0.00 O ATOM 0 H GLU A 9 -7.630 -19.819 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.391 -21.682 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.324 -21.610 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.257 -22.436 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.583 -24.026 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.171 -23.051 -0.804 1.00 0.00 H new ATOM 97 N GLU A 10 -6.425 -19.256 -3.913 1.00 0.00 N ATOM 98 CA GLU A 10 -6.093 -18.461 -5.090 1.00 0.00 C ATOM 99 C GLU A 10 -4.726 -17.802 -4.936 1.00 0.00 C ATOM 100 O GLU A 10 -3.886 -17.876 -5.834 1.00 0.00 O ATOM 101 CB GLU A 10 -7.167 -17.395 -5.327 1.00 0.00 C ATOM 102 CG GLU A 10 -7.936 -17.587 -6.625 1.00 0.00 C ATOM 103 CD GLU A 10 -9.340 -18.112 -6.398 1.00 0.00 C ATOM 104 OE1 GLU A 10 -10.161 -17.376 -5.809 1.00 0.00 O ATOM 105 OE2 GLU A 10 -9.619 -19.257 -6.811 1.00 0.00 O ATOM 0 H GLU A 10 -7.162 -18.860 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.056 -19.128 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.869 -17.406 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.696 -16.412 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.989 -16.636 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.392 -18.280 -7.266 1.00 0.00 H new ATOM 112 N LEU A 11 -4.509 -17.157 -3.794 1.00 0.00 N ATOM 113 CA LEU A 11 -3.244 -16.484 -3.525 1.00 0.00 C ATOM 114 C LEU A 11 -2.121 -17.495 -3.314 1.00 0.00 C ATOM 115 O LEU A 11 -0.960 -17.219 -3.621 1.00 0.00 O ATOM 116 CB LEU A 11 -3.376 -15.582 -2.295 1.00 0.00 C ATOM 117 CG LEU A 11 -2.743 -14.197 -2.436 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.381 -13.434 -3.587 1.00 0.00 C ATOM 119 CD2 LEU A 11 -2.876 -13.415 -1.138 1.00 0.00 C ATOM 0 H LEU A 11 -5.193 -17.086 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.995 -15.872 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.434 -15.459 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.922 -16.087 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.682 -14.324 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.918 -12.451 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.234 -13.986 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.448 -13.318 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.420 -12.432 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.931 -13.298 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.372 -13.954 -0.335 1.00 0.00 H new ATOM 131 N ARG A 12 -2.472 -18.664 -2.788 1.00 0.00 N ATOM 132 CA ARG A 12 -1.492 -19.714 -2.537 1.00 0.00 C ATOM 133 C ARG A 12 -0.799 -20.136 -3.829 1.00 0.00 C ATOM 134 O ARG A 12 0.384 -20.477 -3.828 1.00 0.00 O ATOM 135 CB ARG A 12 -2.166 -20.923 -1.884 1.00 0.00 C ATOM 136 CG ARG A 12 -1.519 -21.347 -0.575 1.00 0.00 C ATOM 137 CD ARG A 12 -0.402 -22.351 -0.805 1.00 0.00 C ATOM 138 NE ARG A 12 -0.891 -23.587 -1.412 1.00 0.00 N ATOM 139 CZ ARG A 12 -0.188 -24.716 -1.466 1.00 0.00 C ATOM 140 NH1 ARG A 12 1.034 -24.769 -0.953 1.00 0.00 N ATOM 141 NH2 ARG A 12 -0.708 -25.794 -2.035 1.00 0.00 N ATOM 0 H ARG A 12 -3.428 -18.908 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.737 -19.317 -1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.215 -20.689 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.142 -21.762 -2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.122 -20.470 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.273 -21.784 0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.357 -21.907 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.080 -22.580 0.145 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.827 -23.584 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.439 -23.942 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.568 -25.637 -0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.647 -25.759 -2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.169 -26.659 -2.076 1.00 0.00 H new ATOM 155 N ALA A 13 -1.545 -20.112 -4.928 1.00 0.00 N ATOM 156 CA ALA A 13 -1.003 -20.494 -6.227 1.00 0.00 C ATOM 157 C ALA A 13 -0.435 -19.284 -6.962 1.00 0.00 C ATOM 158 O ALA A 13 0.511 -19.405 -7.740 1.00 0.00 O ATOM 159 CB ALA A 13 -2.075 -21.169 -7.068 1.00 0.00 C ATOM 0 H ALA A 13 -2.526 -19.832 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.189 -21.200 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.656 -21.449 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.431 -22.062 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.907 -20.481 -7.218 1.00 0.00 H new ATOM 165 N GLN A 14 -1.019 -18.117 -6.710 1.00 0.00 N ATOM 166 CA GLN A 14 -0.572 -16.885 -7.350 1.00 0.00 C ATOM 167 C GLN A 14 0.764 -16.426 -6.774 1.00 0.00 C ATOM 168 O GLN A 14 1.563 -15.793 -7.465 1.00 0.00 O ATOM 169 CB GLN A 14 -1.621 -15.785 -7.173 1.00 0.00 C ATOM 170 CG GLN A 14 -1.661 -14.794 -8.325 1.00 0.00 C ATOM 171 CD GLN A 14 -2.095 -15.434 -9.629 1.00 0.00 C ATOM 172 OE1 GLN A 14 -1.135 -15.973 -10.371 1.00 0.00 O flip ATOM 173 NE2 GLN A 14 -3.279 -15.446 -9.965 1.00 0.00 N flip ATOM 0 H GLN A 14 -1.802 -17.999 -6.068 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.439 -17.085 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.603 -16.245 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.418 -15.246 -6.247 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.345 -13.982 -8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.673 -14.351 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.984 -15.020 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.555 -15.882 -10.845 1.00 0.00 H new ATOM 182 N GLN A 15 1.000 -16.745 -5.505 1.00 0.00 N ATOM 183 CA GLN A 15 2.241 -16.362 -4.840 1.00 0.00 C ATOM 184 C GLN A 15 3.240 -17.514 -4.835 1.00 0.00 C ATOM 185 O GLN A 15 4.056 -17.636 -3.922 1.00 0.00 O ATOM 186 CB GLN A 15 1.956 -15.914 -3.406 1.00 0.00 C ATOM 187 CG GLN A 15 1.228 -14.583 -3.317 1.00 0.00 C ATOM 188 CD GLN A 15 1.732 -13.718 -2.180 1.00 0.00 C ATOM 189 OE1 GLN A 15 2.766 -13.059 -2.296 1.00 0.00 O ATOM 190 NE2 GLN A 15 1.003 -13.716 -1.070 1.00 0.00 N ATOM 0 H GLN A 15 0.350 -17.267 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 15 2.678 -15.532 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.360 -16.678 -2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.898 -15.840 -2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.346 -14.045 -4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.161 -14.765 -3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.153 -14.277 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.293 -13.153 -0.270 1.00 0.00 H new ATOM 199 N GLU A 16 3.172 -18.356 -5.861 1.00 0.00 N ATOM 200 CA GLU A 16 4.075 -19.495 -5.974 1.00 0.00 C ATOM 201 C GLU A 16 5.259 -19.161 -6.875 1.00 0.00 C ATOM 202 O GLU A 16 6.370 -18.933 -6.398 1.00 0.00 O ATOM 203 CB GLU A 16 3.326 -20.714 -6.521 1.00 0.00 C ATOM 204 CG GLU A 16 2.948 -21.725 -5.452 1.00 0.00 C ATOM 205 CD GLU A 16 2.872 -23.141 -5.989 1.00 0.00 C ATOM 206 OE1 GLU A 16 2.099 -23.374 -6.943 1.00 0.00 O ATOM 207 OE2 GLU A 16 3.586 -24.017 -5.456 1.00 0.00 O ATOM 0 H GLU A 16 2.502 -18.271 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 16 4.454 -19.729 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.421 -20.377 -7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.946 -21.205 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.679 -21.685 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.984 -21.451 -5.023 1.00 0.00 H new ATOM 214 N ALA A 17 5.011 -19.131 -8.181 1.00 0.00 N ATOM 215 CA ALA A 17 6.056 -18.823 -9.151 1.00 0.00 C ATOM 216 C ALA A 17 5.796 -17.483 -9.830 1.00 0.00 C ATOM 217 O ALA A 17 6.730 -16.790 -10.236 1.00 0.00 O ATOM 218 CB ALA A 17 6.155 -19.931 -10.188 1.00 0.00 C ATOM 0 H ALA A 17 4.096 -19.316 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 17 7.004 -18.753 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.939 -19.689 -10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.395 -20.872 -9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.203 -20.028 -10.709 1.00 0.00 H new ATOM 224 N GLU A 18 4.523 -17.121 -9.952 1.00 0.00 N ATOM 225 CA GLU A 18 4.141 -15.864 -10.584 1.00 0.00 C ATOM 226 C GLU A 18 4.571 -14.671 -9.733 1.00 0.00 C ATOM 227 O GLU A 18 5.125 -13.699 -10.245 1.00 0.00 O ATOM 228 CB GLU A 18 2.629 -15.823 -10.813 1.00 0.00 C ATOM 229 CG GLU A 18 2.209 -16.321 -12.187 1.00 0.00 C ATOM 230 CD GLU A 18 1.381 -15.305 -12.950 1.00 0.00 C ATOM 231 OE1 GLU A 18 1.551 -14.094 -12.701 1.00 0.00 O ATOM 232 OE2 GLU A 18 0.561 -15.722 -13.795 1.00 0.00 O ATOM 0 H GLU A 18 3.738 -17.681 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 18 4.650 -15.802 -11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.138 -16.428 -10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.278 -14.799 -10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.098 -16.568 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.635 -17.241 -12.076 1.00 0.00 H new ATOM 239 N ALA A 19 4.311 -14.752 -8.432 1.00 0.00 N ATOM 240 CA ALA A 19 4.669 -13.679 -7.514 1.00 0.00 C ATOM 241 C ALA A 19 6.005 -13.957 -6.833 1.00 0.00 C ATOM 242 O ALA A 19 6.172 -13.697 -5.641 1.00 0.00 O ATOM 243 CB ALA A 19 3.574 -13.484 -6.476 1.00 0.00 C ATOM 0 H ALA A 19 3.854 -15.550 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 19 4.773 -12.761 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.855 -12.679 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.640 -13.227 -6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.441 -14.406 -5.910 1.00 0.00 H new ATOM 249 N ALA A 20 6.954 -14.489 -7.597 1.00 0.00 N ATOM 250 CA ALA A 20 8.275 -14.801 -7.066 1.00 0.00 C ATOM 251 C ALA A 20 9.373 -14.281 -7.987 1.00 0.00 C ATOM 252 O ALA A 20 10.342 -13.672 -7.532 1.00 0.00 O ATOM 253 CB ALA A 20 8.420 -16.302 -6.863 1.00 0.00 C ATOM 0 H ALA A 20 6.832 -14.713 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 20 8.380 -14.303 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.411 -16.521 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.663 -16.649 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.290 -16.812 -7.817 1.00 0.00 H new ATOM 259 N GLN A 21 9.217 -14.524 -9.284 1.00 0.00 N ATOM 260 CA GLN A 21 10.195 -14.080 -10.269 1.00 0.00 C ATOM 261 C GLN A 21 9.545 -13.174 -11.311 1.00 0.00 C ATOM 262 O GLN A 21 10.044 -12.086 -11.600 1.00 0.00 O ATOM 263 CB GLN A 21 10.844 -15.285 -10.953 1.00 0.00 C ATOM 264 CG GLN A 21 12.313 -15.466 -10.603 1.00 0.00 C ATOM 265 CD GLN A 21 12.933 -16.667 -11.289 1.00 0.00 C ATOM 266 OE1 GLN A 21 13.978 -16.559 -11.931 1.00 0.00 O ATOM 267 NE2 GLN A 21 12.290 -17.822 -11.157 1.00 0.00 N ATOM 0 H GLN A 21 8.421 -15.027 -9.677 1.00 0.00 H new ATOM 0 HA GLN A 21 10.965 -13.509 -9.750 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.299 -16.187 -10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.747 -15.175 -12.033 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.863 -14.568 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.414 -15.577 -9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.427 -17.866 -10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.660 -18.665 -11.597 1.00 0.00 H new ATOM 276 N ARG A 22 8.430 -13.631 -11.872 1.00 0.00 N ATOM 277 CA ARG A 22 7.712 -12.861 -12.881 1.00 0.00 C ATOM 278 C ARG A 22 7.208 -11.542 -12.305 1.00 0.00 C ATOM 279 O ARG A 22 7.103 -10.543 -13.017 1.00 0.00 O ATOM 280 CB ARG A 22 6.537 -13.674 -13.430 1.00 0.00 C ATOM 281 CG ARG A 22 6.961 -14.932 -14.170 1.00 0.00 C ATOM 282 CD ARG A 22 7.194 -14.658 -15.647 1.00 0.00 C ATOM 283 NE ARG A 22 7.619 -15.856 -16.367 1.00 0.00 N ATOM 284 CZ ARG A 22 8.861 -16.334 -16.341 1.00 0.00 C ATOM 285 NH1 ARG A 22 9.802 -15.720 -15.634 1.00 0.00 N ATOM 286 NH2 ARG A 22 9.163 -17.430 -17.024 1.00 0.00 N ATOM 0 H ARG A 22 8.005 -14.530 -11.645 1.00 0.00 H new ATOM 0 HA ARG A 22 8.404 -12.639 -13.693 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.881 -13.951 -12.605 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.954 -13.045 -14.103 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.873 -15.328 -13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.193 -15.698 -14.058 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.277 -14.274 -16.093 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.951 -13.882 -15.756 1.00 0.00 H new ATOM 0 HE ARG A 22 6.924 -16.355 -16.922 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.575 -14.877 -15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.752 -16.091 -15.618 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.444 -17.906 -17.569 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.114 -17.797 -17.005 1.00 0.00 H new ATOM 300 N LEU A 23 6.899 -11.546 -11.012 1.00 0.00 N ATOM 301 CA LEU A 23 6.407 -10.347 -10.342 1.00 0.00 C ATOM 302 C LEU A 23 7.436 -9.818 -9.347 1.00 0.00 C ATOM 303 O LEU A 23 7.081 -9.238 -8.321 1.00 0.00 O ATOM 304 CB LEU A 23 5.091 -10.645 -9.620 1.00 0.00 C ATOM 305 CG LEU A 23 4.099 -9.480 -9.575 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.207 -9.492 -10.807 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.263 -9.543 -8.307 1.00 0.00 C ATOM 0 H LEU A 23 6.980 -12.364 -10.408 1.00 0.00 H new ATOM 0 HA LEU A 23 6.234 -9.583 -11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.610 -11.493 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.316 -10.951 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 23 4.662 -8.546 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.508 -8.657 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.822 -9.399 -11.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.651 -10.429 -10.845 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.563 -8.708 -8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.709 -10.481 -8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.917 -9.485 -7.437 1.00 0.00 H new ATOM 319 N SER A 24 8.711 -10.023 -9.658 1.00 0.00 N ATOM 320 CA SER A 24 9.791 -9.567 -8.792 1.00 0.00 C ATOM 321 C SER A 24 9.985 -8.058 -8.912 1.00 0.00 C ATOM 322 O SER A 24 10.372 -7.393 -7.952 1.00 0.00 O ATOM 323 CB SER A 24 11.094 -10.288 -9.142 1.00 0.00 C ATOM 324 OG SER A 24 11.653 -9.781 -10.342 1.00 0.00 O ATOM 0 H SER A 24 9.022 -10.502 -10.503 1.00 0.00 H new ATOM 0 HA SER A 24 9.519 -9.801 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.808 -10.171 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.905 -11.356 -9.249 1.00 0.00 H new ATOM 0 HG SER A 24 11.356 -10.329 -11.098 1.00 0.00 H new ATOM 330 N GLU A 25 9.710 -7.525 -10.099 1.00 0.00 N ATOM 331 CA GLU A 25 9.854 -6.095 -10.346 1.00 0.00 C ATOM 332 C GLU A 25 8.712 -5.316 -9.702 1.00 0.00 C ATOM 333 O GLU A 25 8.921 -4.245 -9.130 1.00 0.00 O ATOM 334 CB GLU A 25 9.892 -5.817 -11.849 1.00 0.00 C ATOM 335 CG GLU A 25 8.613 -6.205 -12.572 1.00 0.00 C ATOM 336 CD GLU A 25 8.771 -6.201 -14.080 1.00 0.00 C ATOM 337 OE1 GLU A 25 9.238 -7.220 -14.631 1.00 0.00 O ATOM 338 OE2 GLU A 25 8.429 -5.178 -14.710 1.00 0.00 O ATOM 0 H GLU A 25 9.387 -8.062 -10.904 1.00 0.00 H new ATOM 0 HA GLU A 25 10.793 -5.766 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.082 -4.756 -12.009 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.728 -6.361 -12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.302 -7.198 -12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.818 -5.514 -12.292 1.00 0.00 H new ATOM 345 N GLU A 26 7.503 -5.861 -9.797 1.00 0.00 N ATOM 346 CA GLU A 26 6.327 -5.217 -9.224 1.00 0.00 C ATOM 347 C GLU A 26 6.396 -5.216 -7.700 1.00 0.00 C ATOM 348 O GLU A 26 5.911 -4.293 -7.047 1.00 0.00 O ATOM 349 CB GLU A 26 5.053 -5.926 -9.692 1.00 0.00 C ATOM 350 CG GLU A 26 4.104 -5.024 -10.465 1.00 0.00 C ATOM 351 CD GLU A 26 2.796 -5.711 -10.804 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.230 -6.384 -9.917 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.336 -5.575 -11.958 1.00 0.00 O ATOM 0 H GLU A 26 7.313 -6.747 -10.265 1.00 0.00 H new ATOM 0 HA GLU A 26 6.304 -4.183 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.328 -6.773 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.532 -6.329 -8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.899 -4.129 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.588 -4.697 -11.385 1.00 0.00 H new ATOM 360 N LYS A 27 7.004 -6.257 -7.139 1.00 0.00 N ATOM 361 CA LYS A 27 7.137 -6.375 -5.692 1.00 0.00 C ATOM 362 C LYS A 27 8.164 -5.382 -5.158 1.00 0.00 C ATOM 363 O LYS A 27 7.972 -4.787 -4.097 1.00 0.00 O ATOM 364 CB LYS A 27 7.542 -7.801 -5.310 1.00 0.00 C ATOM 365 CG LYS A 27 7.655 -8.019 -3.810 1.00 0.00 C ATOM 366 CD LYS A 27 7.638 -9.498 -3.457 1.00 0.00 C ATOM 367 CE LYS A 27 9.004 -9.979 -2.995 1.00 0.00 C ATOM 368 NZ LYS A 27 8.905 -11.187 -2.130 1.00 0.00 N ATOM 0 H LYS A 27 7.412 -7.030 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 27 6.170 -6.147 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.810 -8.499 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.499 -8.035 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.577 -7.568 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.831 -7.514 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.904 -9.677 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.323 -10.076 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.622 -10.205 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.504 -9.180 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.858 -11.483 -1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.336 -10.965 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.451 -11.958 -2.661 1.00 0.00 H new ATOM 382 N ALA A 28 9.252 -5.207 -5.899 1.00 0.00 N ATOM 383 CA ALA A 28 10.308 -4.285 -5.500 1.00 0.00 C ATOM 384 C ALA A 28 9.772 -2.864 -5.360 1.00 0.00 C ATOM 385 O ALA A 28 10.079 -2.167 -4.394 1.00 0.00 O ATOM 386 CB ALA A 28 11.450 -4.324 -6.505 1.00 0.00 C ATOM 0 H ALA A 28 9.426 -5.692 -6.779 1.00 0.00 H new ATOM 0 HA ALA A 28 10.684 -4.601 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.232 -3.631 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.858 -5.333 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.079 -4.036 -7.489 1.00 0.00 H new ATOM 392 N GLN A 29 8.968 -2.443 -6.332 1.00 0.00 N ATOM 393 CA GLN A 29 8.389 -1.105 -6.316 1.00 0.00 C ATOM 394 C GLN A 29 7.313 -0.992 -5.239 1.00 0.00 C ATOM 395 O GLN A 29 7.107 0.076 -4.664 1.00 0.00 O ATOM 396 CB GLN A 29 7.794 -0.769 -7.685 1.00 0.00 C ATOM 397 CG GLN A 29 8.762 -0.982 -8.838 1.00 0.00 C ATOM 398 CD GLN A 29 8.119 -0.741 -10.190 1.00 0.00 C ATOM 399 OE1 GLN A 29 8.146 0.373 -10.713 1.00 0.00 O ATOM 400 NE2 GLN A 29 7.536 -1.787 -10.762 1.00 0.00 N ATOM 0 H GLN A 29 8.703 -3.008 -7.139 1.00 0.00 H new ATOM 0 HA GLN A 29 9.183 -0.394 -6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.908 -1.383 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.466 0.270 -7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.614 -0.313 -8.721 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.149 -2.000 -8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.538 -2.692 -10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.086 -1.686 -11.672 1.00 0.00 H new ATOM 409 N ALA A 30 6.633 -2.102 -4.972 1.00 0.00 N ATOM 410 CA ALA A 30 5.580 -2.129 -3.965 1.00 0.00 C ATOM 411 C ALA A 30 6.163 -2.202 -2.557 1.00 0.00 C ATOM 412 O ALA A 30 5.522 -1.797 -1.588 1.00 0.00 O ATOM 413 CB ALA A 30 4.644 -3.303 -4.212 1.00 0.00 C ATOM 0 H ALA A 30 6.793 -2.994 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 30 5.013 -1.202 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.862 -3.311 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.191 -3.206 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.208 -4.235 -4.162 1.00 0.00 H new ATOM 419 N SER A 31 7.382 -2.722 -2.450 1.00 0.00 N ATOM 420 CA SER A 31 8.049 -2.847 -1.159 1.00 0.00 C ATOM 421 C SER A 31 8.997 -1.677 -0.918 1.00 0.00 C ATOM 422 O SER A 31 10.036 -1.830 -0.275 1.00 0.00 O ATOM 423 CB SER A 31 8.819 -4.166 -1.085 1.00 0.00 C ATOM 424 OG SER A 31 8.822 -4.684 0.234 1.00 0.00 O ATOM 0 H SER A 31 7.927 -3.063 -3.241 1.00 0.00 H new ATOM 0 HA SER A 31 7.285 -2.836 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.369 -4.892 -1.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.845 -4.011 -1.420 1.00 0.00 H new ATOM 0 HG SER A 31 9.320 -5.528 0.253 1.00 0.00 H new ATOM 430 N ALA A 32 8.634 -0.509 -1.437 1.00 0.00 N ATOM 431 CA ALA A 32 9.452 0.687 -1.276 1.00 0.00 C ATOM 432 C ALA A 32 8.601 1.882 -0.862 1.00 0.00 C ATOM 433 O ALA A 32 8.959 2.625 0.052 1.00 0.00 O ATOM 434 CB ALA A 32 10.200 0.990 -2.565 1.00 0.00 C ATOM 0 H ALA A 32 7.778 -0.365 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 32 10.176 0.499 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.807 1.885 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.845 0.149 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.485 1.154 -3.371 1.00 0.00 H new ATOM 440 N ILE A 33 7.472 2.062 -1.540 1.00 0.00 N ATOM 441 CA ILE A 33 6.569 3.166 -1.243 1.00 0.00 C ATOM 442 C ILE A 33 5.845 2.942 0.081 1.00 0.00 C ATOM 443 O ILE A 33 4.868 2.196 0.146 1.00 0.00 O ATOM 444 CB ILE A 33 5.524 3.356 -2.360 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.206 3.393 -3.731 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.722 4.628 -2.126 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.568 2.471 -4.747 1.00 0.00 C ATOM 0 H ILE A 33 7.161 1.456 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 33 7.182 4.065 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 33 4.838 2.509 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.182 4.414 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.255 3.121 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.989 4.748 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.208 4.563 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.394 5.486 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.102 2.548 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.616 1.443 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.526 2.756 -4.893 1.00 0.00 H new ATOM 459 N SER A 34 6.331 3.593 1.133 1.00 0.00 N ATOM 460 CA SER A 34 5.731 3.464 2.455 1.00 0.00 C ATOM 461 C SER A 34 4.360 4.131 2.498 1.00 0.00 C ATOM 462 O SER A 34 4.025 4.938 1.632 1.00 0.00 O ATOM 463 CB SER A 34 6.645 4.081 3.516 1.00 0.00 C ATOM 464 OG SER A 34 8.003 4.021 3.116 1.00 0.00 O ATOM 0 H SER A 34 7.139 4.215 1.095 1.00 0.00 H new ATOM 0 HA SER A 34 5.605 2.402 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.359 5.119 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.517 3.554 4.462 1.00 0.00 H new ATOM 0 HG SER A 34 8.566 4.423 3.810 1.00 0.00 H new ATOM 470 N VAL A 35 3.572 3.789 3.512 1.00 0.00 N ATOM 471 CA VAL A 35 2.238 4.356 3.667 1.00 0.00 C ATOM 472 C VAL A 35 2.300 5.738 4.308 1.00 0.00 C ATOM 473 O VAL A 35 3.245 6.056 5.032 1.00 0.00 O ATOM 474 CB VAL A 35 1.335 3.448 4.522 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.100 3.952 4.508 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.407 2.009 4.031 1.00 0.00 C ATOM 0 H VAL A 35 3.834 3.122 4.238 1.00 0.00 H new ATOM 0 HA VAL A 35 1.813 4.439 2.667 1.00 0.00 H new ATOM 0 HB VAL A 35 1.694 3.476 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.722 3.297 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.134 4.964 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.474 3.957 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.763 1.382 4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.076 1.961 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.435 1.652 4.100 1.00 0.00 H new ATOM 486 N GLY A 36 1.289 6.557 4.039 1.00 0.00 N ATOM 487 CA GLY A 36 1.250 7.895 4.598 1.00 0.00 C ATOM 488 C GLY A 36 2.400 8.758 4.117 1.00 0.00 C ATOM 489 O GLY A 36 2.942 9.562 4.875 1.00 0.00 O ATOM 0 H GLY A 36 0.496 6.318 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.306 8.370 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.277 7.832 5.686 1.00 0.00 H new ATOM 493 N SER A 37 2.774 8.590 2.853 1.00 0.00 N ATOM 494 CA SER A 37 3.868 9.358 2.270 1.00 0.00 C ATOM 495 C SER A 37 3.408 10.095 1.016 1.00 0.00 C ATOM 496 O SER A 37 2.966 9.475 0.048 1.00 0.00 O ATOM 497 CB SER A 37 5.042 8.438 1.933 1.00 0.00 C ATOM 498 OG SER A 37 5.662 7.949 3.109 1.00 0.00 O ATOM 0 H SER A 37 2.335 7.928 2.212 1.00 0.00 H new ATOM 0 HA SER A 37 4.193 10.095 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.690 7.601 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.772 8.980 1.332 1.00 0.00 H new ATOM 0 HG SER A 37 6.408 7.362 2.866 1.00 0.00 H new ATOM 504 N ARG A 38 3.517 11.418 1.040 1.00 0.00 N ATOM 505 CA ARG A 38 3.112 12.239 -0.095 1.00 0.00 C ATOM 506 C ARG A 38 3.912 11.874 -1.342 1.00 0.00 C ATOM 507 O ARG A 38 5.141 11.939 -1.345 1.00 0.00 O ATOM 508 CB ARG A 38 3.299 13.723 0.229 1.00 0.00 C ATOM 509 CG ARG A 38 2.370 14.227 1.321 1.00 0.00 C ATOM 510 CD ARG A 38 0.911 14.113 0.909 1.00 0.00 C ATOM 511 NE ARG A 38 0.623 14.878 -0.302 1.00 0.00 N ATOM 512 CZ ARG A 38 0.494 16.203 -0.329 1.00 0.00 C ATOM 513 NH1 ARG A 38 0.624 16.912 0.785 1.00 0.00 N ATOM 514 NH2 ARG A 38 0.232 16.819 -1.473 1.00 0.00 N ATOM 0 H ARG A 38 3.882 11.945 1.833 1.00 0.00 H new ATOM 0 HA ARG A 38 2.057 12.048 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.331 13.893 0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.134 14.308 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.537 13.656 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.605 15.267 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.662 13.065 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.276 14.467 1.721 1.00 0.00 H new ATOM 0 HE ARG A 38 0.514 14.367 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.824 16.442 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.524 17.927 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.129 16.278 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.133 17.834 -1.495 1.00 0.00 H new ATOM 528 N CYS A 39 3.205 11.488 -2.399 1.00 0.00 N ATOM 529 CA CYS A 39 3.850 11.112 -3.652 1.00 0.00 C ATOM 530 C CYS A 39 3.019 11.563 -4.850 1.00 0.00 C ATOM 531 O CYS A 39 1.944 12.142 -4.690 1.00 0.00 O ATOM 532 CB CYS A 39 4.060 9.598 -3.705 1.00 0.00 C ATOM 533 SG CYS A 39 4.795 8.904 -2.205 1.00 0.00 S ATOM 0 H CYS A 39 2.187 11.427 -2.413 1.00 0.00 H new ATOM 0 HA CYS A 39 4.819 11.610 -3.697 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.100 9.114 -3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.700 9.360 -4.555 1.00 0.00 H new ATOM 0 HG CYS A 39 3.909 8.891 -1.254 1.00 0.00 H new ATOM 539 N GLU A 40 3.525 11.294 -6.049 1.00 0.00 N ATOM 540 CA GLU A 40 2.830 11.671 -7.274 1.00 0.00 C ATOM 541 C GLU A 40 2.268 10.441 -7.981 1.00 0.00 C ATOM 542 O GLU A 40 2.427 9.315 -7.510 1.00 0.00 O ATOM 543 CB GLU A 40 3.777 12.426 -8.210 1.00 0.00 C ATOM 544 CG GLU A 40 3.601 13.936 -8.164 1.00 0.00 C ATOM 545 CD GLU A 40 4.844 14.656 -7.678 1.00 0.00 C ATOM 546 OE1 GLU A 40 5.364 14.283 -6.606 1.00 0.00 O ATOM 547 OE2 GLU A 40 5.297 15.591 -8.371 1.00 0.00 O ATOM 0 H GLU A 40 4.414 10.816 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 40 1.999 12.324 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.806 12.180 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.617 12.081 -9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.342 14.298 -9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.765 14.180 -7.509 1.00 0.00 H new ATOM 554 N VAL A 41 1.612 10.665 -9.114 1.00 0.00 N ATOM 555 CA VAL A 41 1.027 9.575 -9.887 1.00 0.00 C ATOM 556 C VAL A 41 1.099 9.862 -11.383 1.00 0.00 C ATOM 557 O VAL A 41 1.039 11.016 -11.807 1.00 0.00 O ATOM 558 CB VAL A 41 -0.442 9.332 -9.493 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.972 8.072 -10.159 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.582 9.244 -7.981 1.00 0.00 C ATOM 0 H VAL A 41 1.472 11.591 -9.518 1.00 0.00 H new ATOM 0 HA VAL A 41 1.608 8.681 -9.662 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.037 10.177 -9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.011 7.917 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.910 8.179 -11.242 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.376 7.216 -9.844 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.627 9.072 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.025 8.420 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.245 10.177 -7.529 1.00 0.00 H new ATOM 570 N ARG A 42 1.226 8.804 -12.178 1.00 0.00 N ATOM 571 CA ARG A 42 1.304 8.942 -13.627 1.00 0.00 C ATOM 572 C ARG A 42 0.500 7.848 -14.322 1.00 0.00 C ATOM 573 O ARG A 42 0.963 6.716 -14.458 1.00 0.00 O ATOM 574 CB ARG A 42 2.762 8.889 -14.087 1.00 0.00 C ATOM 575 CG ARG A 42 3.024 9.660 -15.371 1.00 0.00 C ATOM 576 CD ARG A 42 2.824 8.783 -16.597 1.00 0.00 C ATOM 577 NE ARG A 42 4.089 8.265 -17.111 1.00 0.00 N ATOM 578 CZ ARG A 42 5.030 9.024 -17.670 1.00 0.00 C ATOM 579 NH1 ARG A 42 4.852 10.334 -17.785 1.00 0.00 N ATOM 580 NH2 ARG A 42 6.151 8.472 -18.113 1.00 0.00 N ATOM 0 H ARG A 42 1.277 7.842 -11.843 1.00 0.00 H new ATOM 0 HA ARG A 42 0.879 9.908 -13.898 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.398 9.288 -13.297 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.051 7.848 -14.233 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.355 10.519 -15.424 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.042 10.049 -15.362 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.167 7.951 -16.344 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.324 9.358 -17.376 1.00 0.00 H new ATOM 0 HE ARG A 42 4.262 7.262 -17.038 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.992 10.764 -17.445 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.575 10.911 -18.214 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.293 7.466 -18.026 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.871 9.054 -18.541 1.00 0.00 H new ATOM 594 N ALA A 43 -0.706 8.195 -14.759 1.00 0.00 N ATOM 595 CA ALA A 43 -1.575 7.242 -15.440 1.00 0.00 C ATOM 596 C ALA A 43 -2.404 7.931 -16.521 1.00 0.00 C ATOM 597 O ALA A 43 -2.496 9.158 -16.558 1.00 0.00 O ATOM 598 CB ALA A 43 -2.483 6.547 -14.436 1.00 0.00 C ATOM 0 H ALA A 43 -1.104 9.128 -14.654 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.947 6.494 -15.923 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.127 5.838 -14.957 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.876 6.015 -13.704 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.098 7.289 -13.927 1.00 0.00 H new ATOM 604 N PRO A 44 -3.022 7.145 -17.420 1.00 0.00 N ATOM 605 CA PRO A 44 -3.847 7.685 -18.506 1.00 0.00 C ATOM 606 C PRO A 44 -5.152 8.291 -17.996 1.00 0.00 C ATOM 607 O PRO A 44 -6.240 7.819 -18.326 1.00 0.00 O ATOM 608 CB PRO A 44 -4.130 6.461 -19.380 1.00 0.00 C ATOM 609 CG PRO A 44 -4.020 5.301 -18.453 1.00 0.00 C ATOM 610 CD PRO A 44 -2.966 5.671 -17.447 1.00 0.00 C ATOM 0 HA PRO A 44 -3.345 8.495 -19.035 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.121 6.516 -19.829 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.413 6.384 -20.198 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.973 5.101 -17.963 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.743 4.395 -18.993 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.178 5.243 -16.467 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.981 5.312 -17.746 1.00 0.00 H new ATOM 618 N ASP A 45 -5.035 9.341 -17.188 1.00 0.00 N ATOM 619 CA ASP A 45 -6.203 10.012 -16.633 1.00 0.00 C ATOM 620 C ASP A 45 -6.215 11.489 -17.014 1.00 0.00 C ATOM 621 O ASP A 45 -7.154 11.970 -17.648 1.00 0.00 O ATOM 622 CB ASP A 45 -6.226 9.867 -15.110 1.00 0.00 C ATOM 623 CG ASP A 45 -7.558 10.273 -14.510 1.00 0.00 C ATOM 624 OD1 ASP A 45 -7.745 11.478 -14.242 1.00 0.00 O ATOM 625 OD2 ASP A 45 -8.414 9.386 -14.309 1.00 0.00 O ATOM 0 H ASP A 45 -4.142 9.744 -16.904 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.093 9.540 -17.050 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.011 8.832 -14.843 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.434 10.479 -14.678 1.00 0.00 H new ATOM 630 N HIS A 46 -5.164 12.204 -16.623 1.00 0.00 N ATOM 631 CA HIS A 46 -5.052 13.626 -16.925 1.00 0.00 C ATOM 632 C HIS A 46 -3.591 14.065 -16.943 1.00 0.00 C ATOM 633 O HIS A 46 -3.049 14.408 -17.993 1.00 0.00 O ATOM 634 CB HIS A 46 -5.831 14.449 -15.896 1.00 0.00 C ATOM 635 CG HIS A 46 -6.513 15.647 -16.481 1.00 0.00 C ATOM 636 ND1 HIS A 46 -7.850 15.922 -16.285 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.036 16.645 -17.261 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.165 17.037 -16.920 1.00 0.00 C ATOM 639 NE2 HIS A 46 -7.083 17.496 -17.518 1.00 0.00 N ATOM 0 H HIS A 46 -4.379 11.821 -16.097 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.476 13.797 -17.914 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.577 13.811 -15.422 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.148 14.776 -15.112 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.021 16.752 -17.615 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.143 17.495 -16.945 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.032 18.345 -18.080 1.00 0.00 H new ATOM 648 N SER A 47 -2.959 14.050 -15.774 1.00 0.00 N ATOM 649 CA SER A 47 -1.561 14.446 -15.656 1.00 0.00 C ATOM 650 C SER A 47 -1.012 14.100 -14.276 1.00 0.00 C ATOM 651 O SER A 47 -1.716 13.529 -13.442 1.00 0.00 O ATOM 652 CB SER A 47 -1.408 15.945 -15.917 1.00 0.00 C ATOM 653 OG SER A 47 -0.183 16.228 -16.569 1.00 0.00 O ATOM 0 H SER A 47 -3.393 13.768 -14.895 1.00 0.00 H new ATOM 0 HA SER A 47 -0.990 13.895 -16.403 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.239 16.297 -16.529 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.455 16.488 -14.973 1.00 0.00 H new ATOM 0 HG SER A 47 -0.111 17.193 -16.726 1.00 0.00 H new ATOM 659 N LEU A 48 0.248 14.449 -14.040 1.00 0.00 N ATOM 660 CA LEU A 48 0.891 14.176 -12.760 1.00 0.00 C ATOM 661 C LEU A 48 0.147 14.867 -11.621 1.00 0.00 C ATOM 662 O LEU A 48 0.098 16.095 -11.553 1.00 0.00 O ATOM 663 CB LEU A 48 2.350 14.637 -12.789 1.00 0.00 C ATOM 664 CG LEU A 48 3.360 13.563 -13.194 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.702 14.194 -13.535 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.520 12.537 -12.083 1.00 0.00 C ATOM 0 H LEU A 48 0.845 14.922 -14.719 1.00 0.00 H new ATOM 0 HA LEU A 48 0.863 13.100 -12.588 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.437 15.475 -13.481 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.617 15.011 -11.800 1.00 0.00 H new ATOM 0 HG LEU A 48 2.984 13.054 -14.082 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.408 13.415 -13.821 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.576 14.891 -14.363 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.084 14.729 -12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.242 11.780 -12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.873 13.032 -11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.559 12.062 -11.885 1.00 0.00 H new ATOM 678 N ARG A 49 -0.429 14.068 -10.728 1.00 0.00 N ATOM 679 CA ARG A 49 -1.170 14.603 -9.592 1.00 0.00 C ATOM 680 C ARG A 49 -0.401 14.393 -8.291 1.00 0.00 C ATOM 681 O ARG A 49 0.693 13.827 -8.289 1.00 0.00 O ATOM 682 CB ARG A 49 -2.545 13.939 -9.496 1.00 0.00 C ATOM 683 CG ARG A 49 -3.481 14.312 -10.635 1.00 0.00 C ATOM 684 CD ARG A 49 -4.098 15.686 -10.422 1.00 0.00 C ATOM 685 NE ARG A 49 -3.147 16.761 -10.692 1.00 0.00 N ATOM 686 CZ ARG A 49 -3.294 18.009 -10.253 1.00 0.00 C ATOM 687 NH1 ARG A 49 -4.351 18.343 -9.523 1.00 0.00 N ATOM 688 NH2 ARG A 49 -2.381 18.926 -10.544 1.00 0.00 N ATOM 0 H ARG A 49 -0.397 13.049 -10.769 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.300 15.674 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.417 12.857 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.009 14.217 -8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.932 14.300 -11.577 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.271 13.566 -10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.966 15.798 -11.072 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.456 15.768 -9.396 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.321 16.543 -11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.056 17.642 -9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.458 19.301 -9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.566 18.675 -11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.494 19.882 -10.208 1.00 0.00 H new ATOM 702 N ARG A 50 -0.979 14.853 -7.187 1.00 0.00 N ATOM 703 CA ARG A 50 -0.349 14.717 -5.878 1.00 0.00 C ATOM 704 C ARG A 50 -1.309 14.083 -4.877 1.00 0.00 C ATOM 705 O ARG A 50 -2.414 14.584 -4.660 1.00 0.00 O ATOM 706 CB ARG A 50 0.113 16.082 -5.368 1.00 0.00 C ATOM 707 CG ARG A 50 1.237 16.691 -6.189 1.00 0.00 C ATOM 708 CD ARG A 50 2.588 16.106 -5.810 1.00 0.00 C ATOM 709 NE ARG A 50 3.084 16.646 -4.544 1.00 0.00 N ATOM 710 CZ ARG A 50 2.899 16.063 -3.360 1.00 0.00 C ATOM 711 NH1 ARG A 50 2.219 14.926 -3.264 1.00 0.00 N ATOM 712 NH2 ARG A 50 3.392 16.624 -2.264 1.00 0.00 N ATOM 0 H ARG A 50 -1.884 15.324 -7.172 1.00 0.00 H new ATOM 0 HA ARG A 50 0.518 14.065 -5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.736 16.766 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.443 15.981 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.049 16.518 -7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.253 17.771 -6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.505 15.022 -5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.308 16.316 -6.601 1.00 0.00 H new ATOM 0 HE ARG A 50 3.604 17.523 -4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.833 14.491 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.083 14.488 -2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.911 17.500 -2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.252 16.180 -1.357 1.00 0.00 H new ATOM 726 N GLY A 51 -0.882 12.982 -4.268 1.00 0.00 N ATOM 727 CA GLY A 51 -1.717 12.300 -3.297 1.00 0.00 C ATOM 728 C GLY A 51 -0.916 11.703 -2.157 1.00 0.00 C ATOM 729 O GLY A 51 0.246 12.058 -1.955 1.00 0.00 O ATOM 0 H GLY A 51 0.028 12.550 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.447 13.002 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.277 11.509 -3.796 1.00 0.00 H new ATOM 733 N THR A 52 -1.537 10.796 -1.412 1.00 0.00 N ATOM 734 CA THR A 52 -0.874 10.147 -0.286 1.00 0.00 C ATOM 735 C THR A 52 -1.131 8.644 -0.296 1.00 0.00 C ATOM 736 O THR A 52 -2.205 8.191 -0.690 1.00 0.00 O ATOM 737 CB THR A 52 -1.359 10.751 1.033 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.411 12.164 0.950 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.480 10.393 2.212 1.00 0.00 C ATOM 0 H THR A 52 -2.499 10.493 -1.567 1.00 0.00 H new ATOM 0 HA THR A 52 0.199 10.314 -0.382 1.00 0.00 H new ATOM 0 HB THR A 52 -2.351 10.329 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.094 12.553 1.792 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.879 10.853 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.459 9.310 2.334 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.532 10.758 2.036 1.00 0.00 H new ATOM 747 N VAL A 53 -0.137 7.876 0.138 1.00 0.00 N ATOM 748 CA VAL A 53 -0.255 6.424 0.179 1.00 0.00 C ATOM 749 C VAL A 53 -1.163 5.978 1.320 1.00 0.00 C ATOM 750 O VAL A 53 -1.000 6.409 2.461 1.00 0.00 O ATOM 751 CB VAL A 53 1.121 5.751 0.342 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.003 4.246 0.164 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.122 6.336 -0.644 1.00 0.00 C ATOM 0 H VAL A 53 0.759 8.236 0.466 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.691 6.117 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 53 1.484 5.947 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.985 3.788 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.322 3.843 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.618 4.026 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.088 5.848 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.768 6.174 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.228 7.406 -0.463 1.00 0.00 H new ATOM 763 N MET A 54 -2.120 5.111 1.003 1.00 0.00 N ATOM 764 CA MET A 54 -3.055 4.606 2.003 1.00 0.00 C ATOM 765 C MET A 54 -2.957 3.088 2.122 1.00 0.00 C ATOM 766 O MET A 54 -2.986 2.538 3.223 1.00 0.00 O ATOM 767 CB MET A 54 -4.488 5.005 1.643 1.00 0.00 C ATOM 768 CG MET A 54 -4.616 6.435 1.143 1.00 0.00 C ATOM 769 SD MET A 54 -4.663 6.538 -0.657 1.00 0.00 S ATOM 770 CE MET A 54 -6.418 6.351 -0.962 1.00 0.00 C ATOM 0 H MET A 54 -2.268 4.744 0.063 1.00 0.00 H new ATOM 0 HA MET A 54 -2.791 5.048 2.964 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.863 4.326 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.123 4.878 2.520 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.523 6.879 1.553 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.777 7.023 1.515 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.758 7.145 -1.627 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.605 5.383 -1.427 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.960 6.411 -0.018 1.00 0.00 H new ATOM 780 N TYR A 55 -2.839 2.416 0.981 1.00 0.00 N ATOM 781 CA TYR A 55 -2.736 0.962 0.957 1.00 0.00 C ATOM 782 C TYR A 55 -1.731 0.504 -0.095 1.00 0.00 C ATOM 783 O TYR A 55 -1.668 1.062 -1.191 1.00 0.00 O ATOM 784 CB TYR A 55 -4.105 0.338 0.677 1.00 0.00 C ATOM 785 CG TYR A 55 -4.205 -1.113 1.091 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.704 -2.123 0.279 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.802 -1.473 2.293 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.795 -3.451 0.653 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.896 -2.798 2.675 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.391 -3.782 1.851 1.00 0.00 C ATOM 791 OH TYR A 55 -4.483 -5.102 2.227 1.00 0.00 O ATOM 0 H TYR A 55 -2.812 2.856 0.061 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.386 0.632 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.870 0.910 1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.321 0.419 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.236 -1.867 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.199 -0.705 2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.401 -4.224 0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.362 -3.061 3.613 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.929 -5.164 3.098 1.00 0.00 H new ATOM 801 N VAL A 56 -0.948 -0.512 0.246 1.00 0.00 N ATOM 802 CA VAL A 56 0.055 -1.045 -0.669 1.00 0.00 C ATOM 803 C VAL A 56 0.082 -2.569 -0.627 1.00 0.00 C ATOM 804 O VAL A 56 0.427 -3.166 0.393 1.00 0.00 O ATOM 805 CB VAL A 56 1.459 -0.507 -0.337 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.460 -0.930 -1.401 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.431 1.007 -0.193 1.00 0.00 C ATOM 0 H VAL A 56 -0.988 -0.984 1.149 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.223 -0.717 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 56 1.775 -0.934 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.446 -0.540 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.502 -2.018 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.151 -0.535 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.432 1.369 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.093 1.455 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.748 1.284 0.610 1.00 0.00 H new ATOM 817 N GLY A 57 -0.287 -3.193 -1.742 1.00 0.00 N ATOM 818 CA GLY A 57 -0.299 -4.642 -1.811 1.00 0.00 C ATOM 819 C GLY A 57 -1.126 -5.160 -2.970 1.00 0.00 C ATOM 820 O GLY A 57 -1.499 -4.400 -3.864 1.00 0.00 O ATOM 0 H GLY A 57 -0.578 -2.721 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.724 -5.007 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.695 -5.044 -0.878 1.00 0.00 H new ATOM 824 N LEU A 58 -1.415 -6.457 -2.957 1.00 0.00 N ATOM 825 CA LEU A 58 -2.204 -7.076 -4.016 1.00 0.00 C ATOM 826 C LEU A 58 -3.688 -6.775 -3.834 1.00 0.00 C ATOM 827 O LEU A 58 -4.110 -6.297 -2.782 1.00 0.00 O ATOM 828 CB LEU A 58 -1.976 -8.589 -4.033 1.00 0.00 C ATOM 829 CG LEU A 58 -0.517 -9.022 -4.193 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.247 -10.290 -3.397 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.183 -9.230 -5.661 1.00 0.00 C ATOM 0 H LEU A 58 -1.115 -7.100 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.881 -6.657 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.365 -9.010 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.558 -9.020 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 58 0.123 -8.231 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.795 -10.583 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.448 -10.107 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.895 -11.090 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.858 -9.538 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.830 -10.004 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.338 -8.298 -6.205 1.00 0.00 H new ATOM 843 N THR A 59 -4.475 -7.058 -4.867 1.00 0.00 N ATOM 844 CA THR A 59 -5.913 -6.818 -4.821 1.00 0.00 C ATOM 845 C THR A 59 -6.682 -8.013 -5.375 1.00 0.00 C ATOM 846 O THR A 59 -6.094 -9.039 -5.716 1.00 0.00 O ATOM 847 CB THR A 59 -6.265 -5.557 -5.612 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.973 -5.730 -6.988 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.525 -4.326 -5.136 1.00 0.00 C ATOM 0 H THR A 59 -4.141 -7.454 -5.746 1.00 0.00 H new ATOM 0 HA THR A 59 -6.200 -6.677 -3.779 1.00 0.00 H new ATOM 0 HB THR A 59 -7.332 -5.404 -5.451 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.345 -5.036 -7.279 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.821 -3.468 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.769 -4.136 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.451 -4.486 -5.235 1.00 0.00 H new ATOM 857 N ASP A 60 -8.001 -7.872 -5.463 1.00 0.00 N ATOM 858 CA ASP A 60 -8.851 -8.939 -5.977 1.00 0.00 C ATOM 859 C ASP A 60 -9.435 -8.565 -7.335 1.00 0.00 C ATOM 860 O ASP A 60 -9.587 -9.415 -8.212 1.00 0.00 O ATOM 861 CB ASP A 60 -9.979 -9.241 -4.988 1.00 0.00 C ATOM 862 CG ASP A 60 -9.650 -10.404 -4.074 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.449 -10.664 -3.853 1.00 0.00 O ATOM 864 OD2 ASP A 60 -10.594 -11.054 -3.577 1.00 0.00 O ATOM 0 H ASP A 60 -8.504 -7.029 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.237 -9.831 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.178 -8.354 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.892 -9.463 -5.540 1.00 0.00 H new ATOM 869 N PHE A 61 -9.759 -7.287 -7.503 1.00 0.00 N ATOM 870 CA PHE A 61 -10.325 -6.799 -8.755 1.00 0.00 C ATOM 871 C PHE A 61 -9.371 -7.050 -9.918 1.00 0.00 C ATOM 872 O PHE A 61 -9.801 -7.274 -11.049 1.00 0.00 O ATOM 873 CB PHE A 61 -10.640 -5.306 -8.649 1.00 0.00 C ATOM 874 CG PHE A 61 -9.434 -4.458 -8.357 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.591 -4.052 -9.379 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.145 -4.066 -7.059 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.482 -3.272 -9.113 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.037 -3.286 -6.787 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.205 -2.888 -7.816 1.00 0.00 C ATOM 0 H PHE A 61 -9.639 -6.570 -6.787 1.00 0.00 H new ATOM 0 HA PHE A 61 -11.249 -7.345 -8.944 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.092 -4.971 -9.582 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.380 -5.154 -7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.803 -4.349 -10.395 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.793 -4.374 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.833 -2.963 -9.919 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.822 -2.988 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.339 -2.277 -7.606 1.00 0.00 H new ATOM 889 N LYS A 62 -8.074 -7.009 -9.632 1.00 0.00 N ATOM 890 CA LYS A 62 -7.059 -7.232 -10.655 1.00 0.00 C ATOM 891 C LYS A 62 -5.780 -7.797 -10.039 1.00 0.00 C ATOM 892 O LYS A 62 -5.420 -7.453 -8.913 1.00 0.00 O ATOM 893 CB LYS A 62 -6.750 -5.927 -11.391 1.00 0.00 C ATOM 894 CG LYS A 62 -7.761 -5.583 -12.471 1.00 0.00 C ATOM 895 CD LYS A 62 -7.460 -4.236 -13.109 1.00 0.00 C ATOM 896 CE LYS A 62 -6.308 -4.332 -14.098 1.00 0.00 C ATOM 897 NZ LYS A 62 -6.754 -4.074 -15.495 1.00 0.00 N ATOM 0 H LYS A 62 -7.701 -6.824 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.451 -7.958 -11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.712 -5.112 -10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.760 -6.000 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.755 -6.359 -13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.763 -5.567 -12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.350 -3.867 -13.620 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.215 -3.511 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.534 -3.614 -13.825 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.859 -5.323 -14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.940 -4.149 -16.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.474 -4.774 -15.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.160 -3.118 -15.559 1.00 0.00 H new ATOM 911 N PRO A 63 -5.071 -8.674 -10.772 1.00 0.00 N ATOM 912 CA PRO A 63 -3.829 -9.284 -10.290 1.00 0.00 C ATOM 913 C PRO A 63 -2.670 -8.293 -10.267 1.00 0.00 C ATOM 914 O PRO A 63 -2.666 -7.309 -11.006 1.00 0.00 O ATOM 915 CB PRO A 63 -3.563 -10.394 -11.308 1.00 0.00 C ATOM 916 CG PRO A 63 -4.216 -9.922 -12.559 1.00 0.00 C ATOM 917 CD PRO A 63 -5.427 -9.140 -12.128 1.00 0.00 C ATOM 0 HA PRO A 63 -3.919 -9.641 -9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.494 -10.550 -11.454 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.982 -11.344 -10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.537 -9.299 -13.142 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.500 -10.763 -13.192 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.626 -8.305 -12.800 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.323 -9.761 -12.117 1.00 0.00 H new ATOM 925 N GLY A 64 -1.687 -8.560 -9.413 1.00 0.00 N ATOM 926 CA GLY A 64 -0.535 -7.683 -9.311 1.00 0.00 C ATOM 927 C GLY A 64 -0.610 -6.765 -8.107 1.00 0.00 C ATOM 928 O GLY A 64 -1.626 -6.722 -7.413 1.00 0.00 O ATOM 0 H GLY A 64 -1.668 -9.368 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.372 -8.285 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.458 -7.083 -10.218 1.00 0.00 H new ATOM 932 N TYR A 65 0.468 -6.029 -7.860 1.00 0.00 N ATOM 933 CA TYR A 65 0.521 -5.106 -6.731 1.00 0.00 C ATOM 934 C TYR A 65 -0.138 -3.776 -7.084 1.00 0.00 C ATOM 935 O TYR A 65 -0.015 -3.289 -8.207 1.00 0.00 O ATOM 936 CB TYR A 65 1.972 -4.870 -6.305 1.00 0.00 C ATOM 937 CG TYR A 65 2.548 -5.990 -5.468 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.171 -6.155 -4.141 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.468 -6.883 -6.005 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.695 -7.177 -3.372 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.995 -7.907 -5.241 1.00 0.00 C ATOM 942 CZ TYR A 65 3.607 -8.050 -3.927 1.00 0.00 C ATOM 943 OH TYR A 65 4.130 -9.069 -3.164 1.00 0.00 O ATOM 0 H TYR A 65 1.317 -6.053 -8.426 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.026 -5.555 -5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.587 -4.740 -7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.029 -3.939 -5.740 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.457 -5.473 -3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.776 -6.775 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.392 -7.291 -2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.709 -8.593 -5.673 1.00 0.00 H new ATOM 0 HH TYR A 65 4.756 -9.594 -3.705 1.00 0.00 H new ATOM 953 N TRP A 66 -0.840 -3.195 -6.116 1.00 0.00 N ATOM 954 CA TRP A 66 -1.520 -1.922 -6.324 1.00 0.00 C ATOM 955 C TRP A 66 -1.213 -0.951 -5.189 1.00 0.00 C ATOM 956 O TRP A 66 -1.022 -1.360 -4.044 1.00 0.00 O ATOM 957 CB TRP A 66 -3.031 -2.139 -6.432 1.00 0.00 C ATOM 958 CG TRP A 66 -3.450 -2.762 -7.728 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.563 -4.096 -7.999 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.811 -2.075 -8.932 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.973 -4.280 -9.297 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.132 -3.056 -9.890 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.896 -0.728 -9.292 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.531 -2.729 -11.184 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.291 -0.405 -10.577 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.605 -1.403 -11.509 1.00 0.00 C ATOM 0 H TRP A 66 -0.953 -3.586 -5.180 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.155 -1.490 -7.256 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.359 -2.774 -5.609 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.538 -1.181 -6.317 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.360 -4.890 -7.296 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.133 -5.182 -9.746 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.657 0.047 -8.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.773 -3.496 -11.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.359 0.633 -10.867 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.912 -1.119 -12.505 1.00 0.00 H new ATOM 977 N VAL A 67 -1.168 0.337 -5.514 1.00 0.00 N ATOM 978 CA VAL A 67 -0.885 1.368 -4.523 1.00 0.00 C ATOM 979 C VAL A 67 -1.980 2.428 -4.501 1.00 0.00 C ATOM 980 O VAL A 67 -2.277 3.049 -5.522 1.00 0.00 O ATOM 981 CB VAL A 67 0.468 2.051 -4.792 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.841 2.973 -3.642 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.555 1.012 -5.024 1.00 0.00 C ATOM 0 H VAL A 67 -1.324 0.692 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.846 0.870 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 67 0.374 2.654 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.800 3.446 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.075 3.740 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.915 2.394 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.504 1.514 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.648 0.380 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.293 0.397 -5.885 1.00 0.00 H new ATOM 993 N GLY A 68 -2.578 2.630 -3.332 1.00 0.00 N ATOM 994 CA GLY A 68 -3.634 3.616 -3.198 1.00 0.00 C ATOM 995 C GLY A 68 -3.093 5.017 -2.986 1.00 0.00 C ATOM 996 O GLY A 68 -2.240 5.237 -2.126 1.00 0.00 O ATOM 0 H GLY A 68 -2.350 2.128 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.257 3.601 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.275 3.346 -2.359 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.590 5.966 -3.773 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.152 7.352 -3.668 1.00 0.00 C ATOM 1002 C VAL A 69 -4.342 8.298 -3.552 1.00 0.00 C ATOM 1003 O VAL A 69 -5.158 8.399 -4.468 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.300 7.766 -4.882 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.687 9.141 -4.663 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.220 6.730 -5.154 1.00 0.00 C ATOM 0 H VAL A 69 -4.296 5.800 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.545 7.423 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.949 7.819 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.089 9.415 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.481 9.875 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.052 9.119 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.628 7.039 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.573 6.641 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.684 5.766 -5.360 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.436 8.988 -2.420 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.528 9.925 -2.185 1.00 0.00 C ATOM 1018 C ARG A 70 -5.095 11.354 -2.496 1.00 0.00 C ATOM 1019 O ARG A 70 -4.102 11.843 -1.956 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.006 9.827 -0.735 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.336 10.519 -0.486 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.315 11.322 0.804 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.275 12.349 0.791 1.00 0.00 N ATOM 1024 CZ ARG A 70 -5.959 13.097 1.846 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -6.599 12.936 2.998 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -5.002 14.009 1.748 1.00 0.00 N ATOM 0 H ARG A 70 -3.769 8.916 -1.651 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.351 9.662 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.096 8.776 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.251 10.264 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.566 11.179 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.131 9.775 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.287 11.792 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.151 10.650 1.647 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.761 12.501 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.337 12.236 3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.353 13.512 3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.508 14.137 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.759 14.582 2.556 1.00 0.00 H new ATOM 1040 N TYR A 71 -5.845 12.018 -3.369 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.537 13.391 -3.752 1.00 0.00 C ATOM 1042 C TYR A 71 -6.202 14.383 -2.801 1.00 0.00 C ATOM 1043 O TYR A 71 -7.288 14.128 -2.282 1.00 0.00 O ATOM 1044 CB TYR A 71 -5.994 13.657 -5.187 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.529 12.612 -6.175 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.176 12.423 -6.430 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.442 11.814 -6.852 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.747 11.469 -7.333 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -6.020 10.857 -7.755 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.673 10.688 -7.993 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.249 9.736 -8.891 1.00 0.00 O ATOM 0 H TYR A 71 -6.670 11.628 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.457 13.526 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.083 13.707 -5.209 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.624 14.633 -5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.448 13.032 -5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.499 11.943 -6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.692 11.335 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.743 10.244 -8.272 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.026 9.272 -9.267 1.00 0.00 H new ATOM 1061 N ASP A 72 -5.540 15.514 -2.579 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.066 16.545 -1.692 1.00 0.00 C ATOM 1063 C ASP A 72 -7.358 17.134 -2.248 1.00 0.00 C ATOM 1064 O ASP A 72 -8.242 17.541 -1.493 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.031 17.654 -1.496 1.00 0.00 C ATOM 1066 CG ASP A 72 -3.973 17.284 -0.474 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -4.312 17.198 0.725 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -2.808 17.080 -0.872 1.00 0.00 O ATOM 0 H ASP A 72 -4.639 15.740 -3.001 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.283 16.084 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.550 17.871 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.536 18.566 -1.178 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.462 17.176 -3.572 1.00 0.00 N ATOM 1074 CA GLU A 73 -8.648 17.714 -4.229 1.00 0.00 C ATOM 1075 C GLU A 73 -9.525 16.590 -4.777 1.00 0.00 C ATOM 1076 O GLU A 73 -9.046 15.482 -5.022 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.244 18.659 -5.362 1.00 0.00 C ATOM 1078 CG GLU A 73 -7.708 19.996 -4.877 1.00 0.00 C ATOM 1079 CD GLU A 73 -8.734 21.108 -4.982 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -9.564 21.239 -4.057 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -8.707 21.847 -5.988 1.00 0.00 O ATOM 0 H GLU A 73 -6.740 16.844 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.222 18.270 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.485 18.174 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.108 18.834 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.387 19.900 -3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.827 20.263 -5.460 1.00 0.00 H new ATOM 1088 N PRO A 74 -10.825 16.862 -4.979 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.767 15.868 -5.502 1.00 0.00 C ATOM 1090 C PRO A 74 -11.498 15.530 -6.964 1.00 0.00 C ATOM 1091 O PRO A 74 -12.217 15.976 -7.858 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.128 16.553 -5.351 1.00 0.00 C ATOM 1093 CG PRO A 74 -12.823 18.010 -5.371 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.478 18.159 -4.714 1.00 0.00 C ATOM 0 HA PRO A 74 -11.694 14.918 -4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.802 16.278 -6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.616 16.263 -4.420 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.803 18.391 -6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.585 18.576 -4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.912 18.988 -5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.571 18.351 -3.645 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.457 14.738 -7.200 1.00 0.00 N ATOM 1103 CA LEU A 75 -10.092 14.341 -8.554 1.00 0.00 C ATOM 1104 C LEU A 75 -9.587 12.901 -8.583 1.00 0.00 C ATOM 1105 O LEU A 75 -8.744 12.545 -9.405 1.00 0.00 O ATOM 1106 CB LEU A 75 -9.021 15.281 -9.113 1.00 0.00 C ATOM 1107 CG LEU A 75 -9.463 16.734 -9.284 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -8.281 17.675 -9.109 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -10.109 16.936 -10.647 1.00 0.00 C ATOM 0 H LEU A 75 -9.852 14.359 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.984 14.406 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.155 15.256 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.694 14.900 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.201 16.963 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.614 18.705 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.860 17.549 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.520 17.447 -9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.418 17.976 -10.753 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.392 16.689 -11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.981 16.288 -10.736 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.110 12.078 -7.680 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.701 10.687 -7.620 1.00 0.00 C ATOM 1123 C GLY A 76 -10.350 9.845 -8.702 1.00 0.00 C ATOM 1124 O GLY A 76 -10.637 10.338 -9.792 1.00 0.00 O ATOM 0 H GLY A 76 -10.809 12.349 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.617 10.626 -7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.957 10.278 -6.643 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.581 8.573 -8.399 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.201 7.661 -9.354 1.00 0.00 C ATOM 1130 C LYS A 77 -12.157 6.702 -8.653 1.00 0.00 C ATOM 1131 O LYS A 77 -13.287 6.501 -9.098 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.128 6.870 -10.107 1.00 0.00 C ATOM 1133 CG LYS A 77 -9.487 7.646 -11.246 1.00 0.00 C ATOM 1134 CD LYS A 77 -9.276 6.769 -12.470 1.00 0.00 C ATOM 1135 CE LYS A 77 -10.433 6.890 -13.449 1.00 0.00 C ATOM 1136 NZ LYS A 77 -11.435 5.807 -13.260 1.00 0.00 N ATOM 0 H LYS A 77 -10.349 8.150 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.772 8.257 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.352 6.566 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.573 5.958 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.118 8.494 -11.510 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.530 8.051 -10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.347 7.052 -12.966 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.168 5.730 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.917 7.858 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.050 6.857 -14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.207 5.925 -13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.980 4.883 -13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.819 5.854 -12.295 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.697 6.113 -7.553 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.513 5.175 -6.790 1.00 0.00 C ATOM 1152 C ASN A 78 -12.812 5.720 -5.398 1.00 0.00 C ATOM 1153 O ASN A 78 -12.286 6.760 -5.002 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.804 3.824 -6.680 1.00 0.00 C ATOM 1155 CG ASN A 78 -11.473 3.232 -8.036 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -12.351 2.728 -8.737 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -10.201 3.292 -8.413 1.00 0.00 N ATOM 0 H ASN A 78 -10.764 6.269 -7.171 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.457 5.041 -7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.886 3.945 -6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.436 3.129 -6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.918 2.911 -9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.507 3.719 -7.800 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.660 5.011 -4.661 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.030 5.423 -3.312 1.00 0.00 C ATOM 1166 C ASP A 79 -13.129 4.762 -2.274 1.00 0.00 C ATOM 1167 O ASP A 79 -12.675 5.408 -1.329 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.492 5.074 -3.032 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.763 3.586 -3.147 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -16.087 3.126 -4.262 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -15.650 2.881 -2.122 1.00 0.00 O ATOM 0 H ASP A 79 -14.104 4.148 -4.975 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.902 6.503 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.758 5.413 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.132 5.612 -3.731 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.874 3.470 -2.456 1.00 0.00 N ATOM 1177 CA GLY A 80 -12.029 2.743 -1.528 1.00 0.00 C ATOM 1178 C GLY A 80 -12.417 1.282 -1.413 1.00 0.00 C ATOM 1179 O GLY A 80 -11.576 0.430 -1.125 1.00 0.00 O ATOM 0 H GLY A 80 -13.238 2.914 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.991 2.816 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.088 3.210 -0.545 1.00 0.00 H new ATOM 1183 N SER A 81 -13.694 0.991 -1.639 1.00 0.00 N ATOM 1184 CA SER A 81 -14.192 -0.377 -1.558 1.00 0.00 C ATOM 1185 C SER A 81 -14.452 -0.944 -2.950 1.00 0.00 C ATOM 1186 O SER A 81 -15.311 -0.451 -3.681 1.00 0.00 O ATOM 1187 CB SER A 81 -15.474 -0.426 -0.726 1.00 0.00 C ATOM 1188 OG SER A 81 -15.498 0.610 0.240 1.00 0.00 O ATOM 0 H SER A 81 -14.402 1.684 -1.880 1.00 0.00 H new ATOM 0 HA SER A 81 -13.430 -0.987 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.340 -0.335 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.551 -1.393 -0.228 1.00 0.00 H new ATOM 0 HG SER A 81 -16.329 0.556 0.757 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.705 -1.983 -3.310 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.856 -2.617 -4.614 1.00 0.00 C ATOM 1196 C VAL A 82 -14.005 -4.128 -4.476 1.00 0.00 C ATOM 1197 O VAL A 82 -13.153 -4.795 -3.886 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.656 -2.312 -5.529 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.925 -2.799 -6.945 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.343 -0.822 -5.521 1.00 0.00 C ATOM 0 H VAL A 82 -12.989 -2.403 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.760 -2.205 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.786 -2.845 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.065 -2.574 -7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.095 -3.876 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.807 -2.296 -7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.492 -0.625 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.210 -0.266 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.103 -0.506 -4.506 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.090 -4.663 -5.024 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.351 -6.098 -4.963 1.00 0.00 C ATOM 1212 C ASN A 83 -15.474 -6.568 -3.518 1.00 0.00 C ATOM 1213 O ASN A 83 -15.266 -7.744 -3.218 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.238 -6.870 -5.672 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.391 -6.839 -7.180 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.413 -5.639 -7.747 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.488 -7.882 -7.827 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.804 -4.125 -5.516 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.297 -6.292 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.272 -6.446 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.241 -7.905 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.466 -8.783 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.590 -7.845 -8.841 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.813 -5.644 -2.627 1.00 0.00 N ATOM 1225 CA GLY A 84 -15.960 -5.982 -1.223 1.00 0.00 C ATOM 1226 C GLY A 84 -14.699 -5.715 -0.424 1.00 0.00 C ATOM 1227 O GLY A 84 -14.763 -5.441 0.775 1.00 0.00 O ATOM 0 H GLY A 84 -15.989 -4.665 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.783 -5.407 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.227 -7.035 -1.133 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.550 -5.798 -1.086 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.270 -5.565 -0.428 1.00 0.00 C ATOM 1233 C LYS A 85 -12.078 -4.083 -0.119 1.00 0.00 C ATOM 1234 O LYS A 85 -12.485 -3.217 -0.894 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.122 -6.071 -1.305 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.289 -7.160 -0.647 1.00 0.00 C ATOM 1237 CD LYS A 85 -10.574 -8.525 -1.253 1.00 0.00 C ATOM 1238 CE LYS A 85 -9.578 -9.567 -0.773 1.00 0.00 C ATOM 1239 NZ LYS A 85 -10.153 -10.440 0.287 1.00 0.00 N ATOM 0 H LYS A 85 -13.479 -6.025 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.268 -6.115 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.531 -6.453 -2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.473 -5.233 -1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.230 -6.926 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.500 -7.185 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.584 -8.837 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.535 -8.457 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.261 -10.181 -1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.688 -9.068 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.441 -11.137 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.433 -9.858 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.987 -10.936 -0.087 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.454 -3.798 1.020 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.206 -2.421 1.433 1.00 0.00 C ATOM 1255 C ARG A 86 -9.715 -2.104 1.396 1.00 0.00 C ATOM 1256 O ARG A 86 -8.880 -3.005 1.336 1.00 0.00 O ATOM 1257 CB ARG A 86 -11.756 -2.181 2.840 1.00 0.00 C ATOM 1258 CG ARG A 86 -11.812 -0.713 3.228 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.594 -0.506 4.514 1.00 0.00 C ATOM 1260 NE ARG A 86 -14.033 -0.666 4.312 1.00 0.00 N ATOM 1261 CZ ARG A 86 -14.955 -0.210 5.155 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -14.596 0.437 6.257 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -16.242 -0.399 4.895 1.00 0.00 N ATOM 0 H ARG A 86 -11.111 -4.502 1.673 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.718 -1.760 0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.758 -2.604 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.136 -2.715 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.799 -0.329 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.274 -0.140 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.252 -1.218 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.391 0.491 4.905 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.349 -1.156 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.608 0.587 6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.308 0.784 6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.524 -0.894 4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.950 -0.049 5.541 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.389 -0.816 1.433 1.00 0.00 N ATOM 1278 CA TYR A 87 -7.997 -0.380 1.403 1.00 0.00 C ATOM 1279 C TYR A 87 -7.777 0.805 2.338 1.00 0.00 C ATOM 1280 O TYR A 87 -6.852 0.804 3.150 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.590 -0.001 -0.022 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.735 -1.133 -1.014 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.989 -1.539 -1.456 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.620 -1.797 -1.508 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.126 -2.574 -2.362 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.748 -2.833 -2.414 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.003 -3.218 -2.837 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.135 -4.249 -3.739 1.00 0.00 O ATOM 0 H TYR A 87 -10.068 -0.057 1.484 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.376 -1.209 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.198 0.841 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.554 0.336 -0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.871 -1.037 -1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.636 -1.499 -1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.107 -2.877 -2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.870 -3.338 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.838 -4.030 -4.386 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.635 1.814 2.219 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.533 3.004 3.055 1.00 0.00 C ATOM 1300 C PHE A 88 -9.912 3.470 3.509 1.00 0.00 C ATOM 1301 O PHE A 88 -10.926 2.855 3.180 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.828 4.129 2.293 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.448 4.431 0.959 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -8.205 3.614 -0.133 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -9.274 5.531 0.798 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -8.774 3.889 -1.362 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -9.846 5.812 -0.429 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.596 4.989 -1.510 1.00 0.00 C ATOM 0 H PHE A 88 -9.407 1.831 1.553 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.947 2.748 3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.840 5.032 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.783 3.857 2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.563 2.752 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.474 6.177 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.576 3.245 -2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.487 6.674 -0.542 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.043 5.205 -2.469 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.943 4.561 4.269 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.197 5.110 4.769 1.00 0.00 C ATOM 1320 C GLU A 89 -11.341 6.578 4.382 1.00 0.00 C ATOM 1321 O GLU A 89 -11.073 7.472 5.185 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.272 4.963 6.290 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.574 3.546 6.750 1.00 0.00 C ATOM 1324 CD GLU A 89 -11.097 3.277 8.164 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -9.869 3.315 8.392 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -11.950 3.031 9.041 1.00 0.00 O ATOM 0 H GLU A 89 -9.113 5.082 4.552 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.015 4.551 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.325 5.283 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.042 5.633 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.648 3.371 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.100 2.838 6.070 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.766 6.820 3.146 1.00 0.00 N ATOM 1334 CA CYS A 90 -11.944 8.180 2.652 1.00 0.00 C ATOM 1335 C CYS A 90 -13.230 8.301 1.841 1.00 0.00 C ATOM 1336 O CYS A 90 -13.969 7.329 1.682 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.747 8.596 1.796 1.00 0.00 C ATOM 1338 SG CYS A 90 -9.254 8.968 2.747 1.00 0.00 S ATOM 0 H CYS A 90 -11.993 6.092 2.469 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.015 8.845 3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.525 7.797 1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.020 9.474 1.210 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.403 8.551 3.969 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.491 9.499 1.329 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.687 9.746 0.533 1.00 0.00 C ATOM 1346 C GLN A 91 -14.491 9.276 -0.905 1.00 0.00 C ATOM 1347 O GLN A 91 -13.471 8.672 -1.237 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.040 11.235 0.553 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.524 11.506 0.737 1.00 0.00 C ATOM 1350 CD GLN A 91 -16.794 12.826 1.430 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -16.095 13.201 2.372 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -17.814 13.540 0.967 1.00 0.00 N ATOM 0 H GLN A 91 -12.890 10.314 1.451 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.508 9.179 0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.488 11.720 1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -14.709 11.691 -0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.013 11.505 -0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.968 10.698 1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.367 13.191 0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.044 14.437 1.394 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.474 9.556 -1.753 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.408 9.161 -3.155 1.00 0.00 C ATOM 1363 C ALA A 92 -14.805 10.270 -4.011 1.00 0.00 C ATOM 1364 O ALA A 92 -14.790 11.435 -3.613 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.794 8.794 -3.664 1.00 0.00 C ATOM 0 H ALA A 92 -16.325 10.055 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.761 8.287 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.731 8.501 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.189 7.964 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.457 9.654 -3.567 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.310 9.900 -5.187 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.706 10.863 -6.099 1.00 0.00 C ATOM 1373 C LYS A 93 -12.495 11.535 -5.457 1.00 0.00 C ATOM 1374 O LYS A 93 -12.255 12.725 -5.658 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.731 11.921 -6.510 1.00 0.00 C ATOM 1376 CG LYS A 93 -16.076 11.339 -6.915 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.181 12.380 -6.837 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.699 12.541 -5.416 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.179 12.398 -5.344 1.00 0.00 N ATOM 0 H LYS A 93 -14.315 8.940 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.373 10.325 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.879 12.613 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.330 12.500 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.014 10.949 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.320 10.499 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.806 13.337 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -18.002 12.090 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.231 11.796 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.410 13.520 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.492 12.514 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.627 13.125 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.454 11.455 -5.685 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.736 10.763 -4.687 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.550 11.283 -4.015 1.00 0.00 C ATOM 1395 C TYR A 94 -9.409 10.272 -4.067 1.00 0.00 C ATOM 1396 O TYR A 94 -8.274 10.619 -4.391 1.00 0.00 O ATOM 1397 CB TYR A 94 -10.873 11.631 -2.561 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.610 12.941 -2.401 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -10.962 14.154 -2.597 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -12.956 12.964 -2.052 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.634 15.353 -2.451 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.633 14.160 -1.904 1.00 0.00 C ATOM 1403 CZ TYR A 94 -12.968 15.350 -2.104 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.639 16.543 -1.958 1.00 0.00 O ATOM 0 H TYR A 94 -11.921 9.775 -4.512 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.235 12.187 -4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.474 10.831 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.944 11.674 -1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.917 14.160 -2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.480 12.033 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.116 16.288 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.678 14.162 -1.633 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.571 16.366 -1.713 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.719 9.021 -3.743 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.709 7.979 -3.758 1.00 0.00 C ATOM 1416 C GLY A 95 -8.602 7.295 -5.106 1.00 0.00 C ATOM 1417 O GLY A 95 -9.613 7.004 -5.745 1.00 0.00 O ATOM 0 H GLY A 95 -10.651 8.710 -3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.743 8.410 -3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.945 7.237 -2.995 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.372 7.036 -5.540 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.135 6.380 -6.821 1.00 0.00 C ATOM 1423 C ALA A 96 -6.169 5.211 -6.667 1.00 0.00 C ATOM 1424 O ALA A 96 -5.234 5.266 -5.869 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.598 7.380 -7.834 1.00 0.00 C ATOM 0 H ALA A 96 -6.524 7.270 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.086 5.988 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.426 6.877 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.323 8.182 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.660 7.799 -7.470 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.403 4.152 -7.435 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.552 2.968 -7.383 1.00 0.00 C ATOM 1433 C PHE A 97 -4.634 2.902 -8.600 1.00 0.00 C ATOM 1434 O PHE A 97 -5.086 2.653 -9.718 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.408 1.702 -7.307 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.035 1.483 -5.959 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.269 1.539 -4.807 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.391 1.221 -5.847 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.842 1.337 -3.566 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -8.971 1.018 -4.609 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.196 1.077 -3.467 1.00 0.00 C ATOM 0 H PHE A 97 -7.174 4.089 -8.100 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.934 3.036 -6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.194 1.759 -8.060 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.790 0.839 -7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.211 1.743 -4.879 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.001 1.175 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.233 1.382 -2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.029 0.813 -4.535 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.647 0.920 -2.498 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.344 3.128 -8.375 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.362 3.093 -9.452 1.00 0.00 C ATOM 1453 C VAL A 98 -1.292 2.040 -9.186 1.00 0.00 C ATOM 1454 O VAL A 98 -1.323 1.353 -8.165 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.682 4.463 -9.637 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.624 5.440 -10.324 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.214 5.014 -8.299 1.00 0.00 C ATOM 0 H VAL A 98 -2.954 3.337 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.902 2.837 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.808 4.329 -10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.125 6.402 -10.446 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.903 5.049 -11.303 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.520 5.570 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.736 5.982 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.070 5.132 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.500 4.323 -7.851 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.347 1.915 -10.112 1.00 0.00 N ATOM 1468 CA LYS A 99 0.732 0.944 -9.977 1.00 0.00 C ATOM 1469 C LYS A 99 2.015 1.613 -9.488 1.00 0.00 C ATOM 1470 O LYS A 99 2.275 2.773 -9.801 1.00 0.00 O ATOM 1471 CB LYS A 99 0.987 0.245 -11.314 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.269 -0.327 -11.951 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.859 -1.449 -11.112 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.101 -2.751 -11.313 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.009 -3.931 -11.291 1.00 0.00 N ATOM 0 H LYS A 99 -0.307 2.474 -10.964 1.00 0.00 H new ATOM 0 HA LYS A 99 0.427 0.203 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.443 0.955 -12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.706 -0.560 -11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.009 0.464 -12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.035 -0.701 -12.947 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.832 -1.170 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.906 -1.592 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.430 -2.719 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.652 -2.857 -10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.583 -4.686 -10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.924 -3.657 -10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.155 -4.275 -12.262 1.00 0.00 H new ATOM 1489 N PRO A 100 2.835 0.883 -8.706 1.00 0.00 N ATOM 1490 CA PRO A 100 4.094 1.411 -8.178 1.00 0.00 C ATOM 1491 C PRO A 100 4.887 2.130 -9.256 1.00 0.00 C ATOM 1492 O PRO A 100 5.261 3.293 -9.101 1.00 0.00 O ATOM 1493 CB PRO A 100 4.828 0.157 -7.708 1.00 0.00 C ATOM 1494 CG PRO A 100 3.744 -0.798 -7.345 1.00 0.00 C ATOM 1495 CD PRO A 100 2.599 -0.512 -8.283 1.00 0.00 C ATOM 0 HA PRO A 100 3.946 2.146 -7.387 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.466 -0.247 -8.494 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.471 0.370 -6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.083 -1.829 -7.448 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.439 -0.665 -6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.598 -1.194 -9.133 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.636 -0.622 -7.785 1.00 0.00 H new ATOM 1503 N SER A 101 5.118 1.432 -10.365 1.00 0.00 N ATOM 1504 CA SER A 101 5.840 2.010 -11.488 1.00 0.00 C ATOM 1505 C SER A 101 5.143 3.284 -11.947 1.00 0.00 C ATOM 1506 O SER A 101 5.762 4.165 -12.544 1.00 0.00 O ATOM 1507 CB SER A 101 5.923 1.009 -12.641 1.00 0.00 C ATOM 1508 OG SER A 101 6.241 1.659 -13.860 1.00 0.00 O ATOM 0 H SER A 101 4.815 0.468 -10.507 1.00 0.00 H new ATOM 0 HA SER A 101 6.854 2.253 -11.169 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.679 0.256 -12.419 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.972 0.486 -12.742 1.00 0.00 H new ATOM 0 HG SER A 101 6.290 0.997 -14.581 1.00 0.00 H new ATOM 1514 N ALA A 102 3.848 3.381 -11.644 1.00 0.00 N ATOM 1515 CA ALA A 102 3.067 4.554 -12.006 1.00 0.00 C ATOM 1516 C ALA A 102 3.056 5.567 -10.863 1.00 0.00 C ATOM 1517 O ALA A 102 2.642 6.712 -11.042 1.00 0.00 O ATOM 1518 CB ALA A 102 1.647 4.151 -12.373 1.00 0.00 C ATOM 0 H ALA A 102 3.323 2.660 -11.149 1.00 0.00 H new ATOM 0 HA ALA A 102 3.531 5.022 -12.874 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.075 5.039 -12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.671 3.465 -13.220 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.176 3.660 -11.521 1.00 0.00 H new ATOM 1524 N VAL A 103 3.516 5.140 -9.686 1.00 0.00 N ATOM 1525 CA VAL A 103 3.557 6.014 -8.521 1.00 0.00 C ATOM 1526 C VAL A 103 4.967 6.547 -8.285 1.00 0.00 C ATOM 1527 O VAL A 103 5.897 5.779 -8.042 1.00 0.00 O ATOM 1528 CB VAL A 103 3.076 5.284 -7.251 1.00 0.00 C ATOM 1529 CG1 VAL A 103 2.977 6.252 -6.082 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.739 4.601 -7.500 1.00 0.00 C ATOM 0 H VAL A 103 3.864 4.196 -9.518 1.00 0.00 H new ATOM 0 HA VAL A 103 2.885 6.847 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 103 3.808 4.518 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.636 5.718 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.956 6.689 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.268 7.043 -6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.416 4.091 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.996 5.347 -7.781 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.846 3.874 -8.305 1.00 0.00 H new ATOM 1540 N THR A 104 5.116 7.865 -8.356 1.00 0.00 N ATOM 1541 CA THR A 104 6.412 8.500 -8.150 1.00 0.00 C ATOM 1542 C THR A 104 6.528 9.051 -6.732 1.00 0.00 C ATOM 1543 O THR A 104 5.835 10.001 -6.366 1.00 0.00 O ATOM 1544 CB THR A 104 6.620 9.624 -9.165 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.385 9.160 -10.483 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.014 10.213 -9.129 1.00 0.00 C ATOM 0 H THR A 104 4.355 8.515 -8.555 1.00 0.00 H new ATOM 0 HA THR A 104 7.185 7.745 -8.292 1.00 0.00 H new ATOM 0 HB THR A 104 5.907 10.400 -8.886 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.522 9.894 -11.118 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.094 11.005 -9.874 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.210 10.625 -8.139 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.744 9.434 -9.348 1.00 0.00 H new ATOM 1554 N VAL A 105 7.410 8.451 -5.940 1.00 0.00 N ATOM 1555 CA VAL A 105 7.616 8.881 -4.562 1.00 0.00 C ATOM 1556 C VAL A 105 8.472 10.143 -4.503 1.00 0.00 C ATOM 1557 O VAL A 105 9.517 10.227 -5.150 1.00 0.00 O ATOM 1558 CB VAL A 105 8.288 7.779 -3.721 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.340 8.181 -2.255 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.560 6.454 -3.892 1.00 0.00 C ATOM 0 H VAL A 105 7.994 7.666 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 105 6.630 9.092 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 105 9.311 7.653 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.818 7.390 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.912 9.103 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.327 8.339 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.050 5.689 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.525 6.563 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.582 6.159 -4.941 1.00 0.00 H new ATOM 1570 N GLY A 106 8.023 11.120 -3.723 1.00 0.00 N ATOM 1571 CA GLY A 106 8.760 12.364 -3.594 1.00 0.00 C ATOM 1572 C GLY A 106 9.440 12.498 -2.245 1.00 0.00 C ATOM 1573 O GLY A 106 10.470 13.160 -2.124 1.00 0.00 O ATOM 0 H GLY A 106 7.162 11.073 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.510 12.422 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.079 13.203 -3.739 1.00 0.00 H new