USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 30 HIS : no HD1:sc= -0.117 X(o=-0.57,f=-0.35) USER MOD Set 1.2: A 41 MET CE :methyl -136:sc= -0.455 (180deg=-1.49) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.0253 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.275) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -121:sc=0.000213 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -2.12! K(o=-2.1!,f=-1.6) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= 0.0424 (180deg=-0.0077) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.63) USER MOD Single : A 67 GLN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= -0.553 (180deg=-2.62!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -1.177 -13.078 -6.535 1.00 0.00 N ATOM 67 CA PRO A 8 -1.430 -11.821 -7.244 1.00 0.00 C ATOM 68 C PRO A 8 -0.698 -10.640 -6.612 1.00 0.00 C ATOM 69 O PRO A 8 -0.723 -10.460 -5.395 1.00 0.00 O ATOM 70 CB PRO A 8 -2.945 -11.640 -7.115 1.00 0.00 C ATOM 71 CG PRO A 8 -3.313 -12.395 -5.884 1.00 0.00 C ATOM 72 CD PRO A 8 -2.366 -13.561 -5.815 1.00 0.00 C ATOM 0 HA PRO A 8 -1.076 -11.857 -8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.212 -10.587 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.466 -12.030 -7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.222 -11.766 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.348 -12.735 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.131 -13.827 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.787 -14.449 -6.286 1.00 0.00 H new ATOM 80 N LYS A 9 -0.047 -9.839 -7.448 1.00 0.00 N ATOM 81 CA LYS A 9 0.691 -8.675 -6.972 1.00 0.00 C ATOM 82 C LYS A 9 -0.237 -7.696 -6.261 1.00 0.00 C ATOM 83 O LYS A 9 -0.927 -6.903 -6.901 1.00 0.00 O ATOM 84 CB LYS A 9 1.389 -7.975 -8.141 1.00 0.00 C ATOM 85 CG LYS A 9 2.267 -6.811 -7.717 1.00 0.00 C ATOM 86 CD LYS A 9 2.746 -6.009 -8.914 1.00 0.00 C ATOM 87 CE LYS A 9 3.806 -4.993 -8.517 1.00 0.00 C ATOM 88 NZ LYS A 9 5.164 -5.600 -8.463 1.00 0.00 N ATOM 0 H LYS A 9 -0.015 -9.974 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 9 1.442 -9.018 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.999 -8.702 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.635 -7.614 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.710 -6.161 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.127 -7.186 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.152 -6.685 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.900 -5.494 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.805 -4.169 -9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.558 -4.571 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.858 -4.875 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.173 -6.370 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.412 -5.980 -9.399 1.00 0.00 H new ATOM 102 N ALA A 10 -0.247 -7.756 -4.933 1.00 0.00 N ATOM 103 CA ALA A 10 -1.088 -6.872 -4.134 1.00 0.00 C ATOM 104 C ALA A 10 -1.144 -5.473 -4.740 1.00 0.00 C ATOM 105 O ALA A 10 -0.126 -4.898 -5.131 1.00 0.00 O ATOM 106 CB ALA A 10 -0.577 -6.809 -2.703 1.00 0.00 C ATOM 0 H ALA A 10 0.318 -8.407 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.099 -7.279 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.214 -6.146 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.595 -7.807 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.444 -6.429 -2.698 1.00 0.00 H new ATOM 112 N PRO A 11 -2.359 -4.911 -4.822 1.00 0.00 N ATOM 113 CA PRO A 11 -2.576 -3.572 -5.379 1.00 0.00 C ATOM 114 C PRO A 11 -2.019 -2.474 -4.480 1.00 0.00 C ATOM 115 O PRO A 11 -1.295 -2.747 -3.523 1.00 0.00 O ATOM 116 CB PRO A 11 -4.100 -3.469 -5.469 1.00 0.00 C ATOM 117 CG PRO A 11 -4.606 -4.409 -4.430 1.00 0.00 C ATOM 118 CD PRO A 11 -3.614 -5.538 -4.376 1.00 0.00 C ATOM 0 HA PRO A 11 -2.069 -3.440 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.440 -2.451 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.457 -3.746 -6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.687 -3.914 -3.462 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.600 -4.775 -4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.524 -5.946 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.906 -6.361 -5.028 1.00 0.00 H new ATOM 126 N VAL A 12 -2.363 -1.228 -4.795 1.00 0.00 N ATOM 127 CA VAL A 12 -1.900 -0.087 -4.014 1.00 0.00 C ATOM 128 C VAL A 12 -3.011 0.940 -3.828 1.00 0.00 C ATOM 129 O VAL A 12 -4.014 0.922 -4.541 1.00 0.00 O ATOM 130 CB VAL A 12 -0.692 0.595 -4.682 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.350 -0.436 -5.085 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.140 1.411 -5.886 1.00 0.00 C ATOM 0 H VAL A 12 -2.960 -0.984 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.599 -0.471 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.236 1.273 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.196 0.066 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.693 -0.972 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.090 -1.142 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.274 1.886 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.622 0.755 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.846 2.177 -5.564 1.00 0.00 H new ATOM 142 N THR A 13 -2.826 1.835 -2.862 1.00 0.00 N ATOM 143 CA THR A 13 -3.813 2.870 -2.581 1.00 0.00 C ATOM 144 C THR A 13 -3.715 4.012 -3.586 1.00 0.00 C ATOM 145 O THR A 13 -2.661 4.242 -4.177 1.00 0.00 O ATOM 146 CB THR A 13 -3.642 3.437 -1.159 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.279 3.821 -0.945 1.00 0.00 O ATOM 148 CG2 THR A 13 -4.055 2.412 -0.113 1.00 0.00 C ATOM 0 H THR A 13 -2.002 1.864 -2.262 1.00 0.00 H new ATOM 0 HA THR A 13 -4.794 2.402 -2.663 1.00 0.00 H new ATOM 0 HB THR A 13 -4.285 4.311 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.179 4.182 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.925 2.836 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.101 2.144 -0.260 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.435 1.521 -0.212 1.00 0.00 H new ATOM 156 N GLY A 14 -4.821 4.725 -3.774 1.00 0.00 N ATOM 157 CA GLY A 14 -4.837 5.836 -4.710 1.00 0.00 C ATOM 158 C GLY A 14 -3.754 6.854 -4.419 1.00 0.00 C ATOM 159 O GLY A 14 -3.453 7.707 -5.254 1.00 0.00 O ATOM 0 H GLY A 14 -5.706 4.554 -3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.711 5.455 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.811 6.325 -4.672 1.00 0.00 H new ATOM 163 N TYR A 15 -3.166 6.768 -3.230 1.00 0.00 N ATOM 164 CA TYR A 15 -2.112 7.692 -2.829 1.00 0.00 C ATOM 165 C TYR A 15 -0.735 7.132 -3.175 1.00 0.00 C ATOM 166 O TYR A 15 0.244 7.872 -3.264 1.00 0.00 O ATOM 167 CB TYR A 15 -2.198 7.976 -1.329 1.00 0.00 C ATOM 168 CG TYR A 15 -0.937 8.582 -0.755 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.509 9.844 -1.146 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.175 7.892 0.180 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.644 10.401 -0.625 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.977 8.441 0.708 1.00 0.00 C ATOM 173 CZ TYR A 15 1.382 9.695 0.303 1.00 0.00 C ATOM 174 OH TYR A 15 2.530 10.247 0.826 1.00 0.00 O ATOM 0 H TYR A 15 -3.402 6.067 -2.527 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.253 8.624 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.033 8.651 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.416 7.046 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.087 10.400 -1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.489 6.909 0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.965 11.382 -0.942 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.557 7.891 1.434 1.00 0.00 H new ATOM 0 HH TYR A 15 2.931 9.623 1.466 1.00 0.00 H new ATOM 184 N VAL A 16 -0.670 5.818 -3.369 1.00 0.00 N ATOM 185 CA VAL A 16 0.585 5.157 -3.706 1.00 0.00 C ATOM 186 C VAL A 16 0.818 5.158 -5.213 1.00 0.00 C ATOM 187 O VAL A 16 1.822 5.681 -5.695 1.00 0.00 O ATOM 188 CB VAL A 16 0.609 3.705 -3.195 1.00 0.00 C ATOM 189 CG1 VAL A 16 1.797 2.953 -3.777 1.00 0.00 C ATOM 190 CG2 VAL A 16 0.642 3.677 -1.674 1.00 0.00 C ATOM 0 H VAL A 16 -1.471 5.191 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 16 1.381 5.719 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.302 3.206 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.797 1.929 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.724 2.944 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.722 3.447 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.659 2.643 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.535 4.192 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.244 4.176 -1.282 1.00 0.00 H new ATOM 200 N ARG A 17 -0.117 4.567 -5.951 1.00 0.00 N ATOM 201 CA ARG A 17 -0.012 4.500 -7.403 1.00 0.00 C ATOM 202 C ARG A 17 0.518 5.812 -7.973 1.00 0.00 C ATOM 203 O ARG A 17 1.246 5.821 -8.966 1.00 0.00 O ATOM 204 CB ARG A 17 -1.375 4.178 -8.019 1.00 0.00 C ATOM 205 CG ARG A 17 -2.532 4.904 -7.352 1.00 0.00 C ATOM 206 CD ARG A 17 -3.817 4.757 -8.151 1.00 0.00 C ATOM 207 NE ARG A 17 -3.561 4.636 -9.584 1.00 0.00 N ATOM 208 CZ ARG A 17 -3.252 3.490 -10.181 1.00 0.00 C ATOM 209 NH1 ARG A 17 -3.164 2.373 -9.474 1.00 0.00 N ATOM 210 NH2 ARG A 17 -3.034 3.461 -11.490 1.00 0.00 N ATOM 0 H ARG A 17 -0.954 4.129 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 17 0.691 3.706 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.356 4.437 -9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.547 3.103 -7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.680 4.509 -6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.287 5.961 -7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.360 3.878 -7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.458 5.620 -7.969 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.623 5.477 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.334 2.391 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.927 1.495 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.104 4.319 -12.038 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.797 2.581 -11.948 1.00 0.00 H new ATOM 224 N PHE A 18 0.148 6.918 -7.338 1.00 0.00 N ATOM 225 CA PHE A 18 0.584 8.238 -7.782 1.00 0.00 C ATOM 226 C PHE A 18 2.016 8.516 -7.332 1.00 0.00 C ATOM 227 O PHE A 18 2.798 9.133 -8.058 1.00 0.00 O ATOM 228 CB PHE A 18 -0.351 9.318 -7.238 1.00 0.00 C ATOM 229 CG PHE A 18 0.295 10.669 -7.121 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.196 10.934 -6.103 1.00 0.00 C ATOM 231 CD2 PHE A 18 0.001 11.673 -8.029 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.794 12.175 -5.992 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.596 12.917 -7.923 1.00 0.00 C ATOM 234 CZ PHE A 18 1.492 13.168 -6.903 1.00 0.00 C ATOM 0 H PHE A 18 -0.453 6.928 -6.514 1.00 0.00 H new ATOM 0 HA PHE A 18 0.553 8.256 -8.871 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.221 9.396 -7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.714 9.012 -6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.434 10.161 -5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.700 11.482 -8.828 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.496 12.368 -5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.360 13.692 -8.638 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.956 14.139 -6.818 1.00 0.00 H new ATOM 244 N LEU A 19 2.353 8.058 -6.132 1.00 0.00 N ATOM 245 CA LEU A 19 3.690 8.257 -5.585 1.00 0.00 C ATOM 246 C LEU A 19 4.748 7.640 -6.493 1.00 0.00 C ATOM 247 O LEU A 19 5.732 8.288 -6.845 1.00 0.00 O ATOM 248 CB LEU A 19 3.785 7.649 -4.184 1.00 0.00 C ATOM 249 CG LEU A 19 3.329 8.543 -3.031 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.989 7.706 -1.808 1.00 0.00 C ATOM 251 CD2 LEU A 19 4.402 9.569 -2.694 1.00 0.00 C ATOM 0 H LEU A 19 1.719 7.546 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 19 3.874 9.330 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.191 6.735 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.821 7.360 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 19 2.430 9.075 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.667 8.360 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.186 7.011 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.870 7.146 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.060 10.196 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.318 9.055 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.598 10.191 -3.567 1.00 0.00 H new ATOM 263 N ASN A 20 4.537 6.383 -6.869 1.00 0.00 N ATOM 264 CA ASN A 20 5.472 5.678 -7.739 1.00 0.00 C ATOM 265 C ASN A 20 5.467 6.277 -9.142 1.00 0.00 C ATOM 266 O ASN A 20 6.507 6.693 -9.653 1.00 0.00 O ATOM 267 CB ASN A 20 5.117 4.192 -7.805 1.00 0.00 C ATOM 268 CG ASN A 20 5.279 3.497 -6.467 1.00 0.00 C ATOM 269 OD1 ASN A 20 6.397 3.222 -6.030 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.162 3.212 -5.809 1.00 0.00 N ATOM 0 H ASN A 20 3.727 5.832 -6.585 1.00 0.00 H new ATOM 0 HA ASN A 20 6.473 5.787 -7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.087 4.082 -8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.751 3.703 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.209 2.746 -4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.257 3.459 -6.210 1.00 0.00 H new ATOM 277 N GLU A 21 4.290 6.318 -9.759 1.00 0.00 N ATOM 278 CA GLU A 21 4.152 6.866 -11.103 1.00 0.00 C ATOM 279 C GLU A 21 4.854 8.215 -11.216 1.00 0.00 C ATOM 280 O GLU A 21 5.532 8.493 -12.205 1.00 0.00 O ATOM 281 CB GLU A 21 2.672 7.017 -11.466 1.00 0.00 C ATOM 282 CG GLU A 21 2.414 7.056 -12.963 1.00 0.00 C ATOM 283 CD GLU A 21 2.312 5.672 -13.574 1.00 0.00 C ATOM 284 OE1 GLU A 21 1.854 4.746 -12.872 1.00 0.00 O ATOM 285 OE2 GLU A 21 2.692 5.515 -14.753 1.00 0.00 O ATOM 0 H GLU A 21 3.419 5.979 -9.350 1.00 0.00 H new ATOM 0 HA GLU A 21 4.622 6.172 -11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.113 6.188 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.287 7.932 -11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.491 7.602 -13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.218 7.607 -13.452 1.00 0.00 H new ATOM 292 N ARG A 22 4.686 9.050 -10.195 1.00 0.00 N ATOM 293 CA ARG A 22 5.302 10.371 -10.180 1.00 0.00 C ATOM 294 C ARG A 22 6.773 10.281 -9.782 1.00 0.00 C ATOM 295 O ARG A 22 7.597 11.080 -10.228 1.00 0.00 O ATOM 296 CB ARG A 22 4.558 11.294 -9.213 1.00 0.00 C ATOM 297 CG ARG A 22 3.263 11.853 -9.779 1.00 0.00 C ATOM 298 CD ARG A 22 3.529 12.899 -10.851 1.00 0.00 C ATOM 299 NE ARG A 22 2.294 13.494 -11.353 1.00 0.00 N ATOM 300 CZ ARG A 22 2.228 14.224 -12.461 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.321 14.446 -13.179 1.00 0.00 N ATOM 302 NH2 ARG A 22 1.067 14.732 -12.854 1.00 0.00 N ATOM 0 H ARG A 22 4.129 8.835 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 22 5.240 10.784 -11.187 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.337 10.745 -8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.212 12.122 -8.939 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.669 11.042 -10.200 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.674 12.296 -8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.169 13.682 -10.443 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.073 12.441 -11.677 1.00 0.00 H new ATOM 0 HE ARG A 22 1.435 13.341 -10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.215 14.056 -12.881 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.267 15.007 -14.029 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.224 14.562 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.017 15.292 -13.705 1.00 0.00 H new ATOM 316 N ARG A 23 7.094 9.304 -8.941 1.00 0.00 N ATOM 317 CA ARG A 23 8.465 9.109 -8.482 1.00 0.00 C ATOM 318 C ARG A 23 9.423 8.997 -9.664 1.00 0.00 C ATOM 319 O ARG A 23 10.609 9.299 -9.545 1.00 0.00 O ATOM 320 CB ARG A 23 8.561 7.855 -7.612 1.00 0.00 C ATOM 321 CG ARG A 23 9.989 7.421 -7.326 1.00 0.00 C ATOM 322 CD ARG A 23 10.510 6.477 -8.400 1.00 0.00 C ATOM 323 NE ARG A 23 10.160 5.087 -8.122 1.00 0.00 N ATOM 324 CZ ARG A 23 10.433 4.082 -8.948 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.056 4.313 -10.095 1.00 0.00 N ATOM 326 NH2 ARG A 23 10.083 2.843 -8.625 1.00 0.00 N ATOM 0 H ARG A 23 6.424 8.635 -8.563 1.00 0.00 H new ATOM 0 HA ARG A 23 8.750 9.977 -7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.050 8.039 -6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.034 7.039 -8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.633 8.299 -7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.033 6.929 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.101 6.767 -9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.594 6.571 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 23 9.680 4.876 -7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.327 5.264 -10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.264 3.540 -10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.604 2.662 -7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.293 2.072 -9.259 1.00 0.00 H new ATOM 340 N GLU A 24 8.898 8.559 -10.805 1.00 0.00 N ATOM 341 CA GLU A 24 9.708 8.405 -12.008 1.00 0.00 C ATOM 342 C GLU A 24 9.992 9.760 -12.649 1.00 0.00 C ATOM 343 O GLU A 24 11.127 10.053 -13.027 1.00 0.00 O ATOM 344 CB GLU A 24 9.002 7.491 -13.011 1.00 0.00 C ATOM 345 CG GLU A 24 9.672 7.452 -14.375 1.00 0.00 C ATOM 346 CD GLU A 24 8.702 7.120 -15.492 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.289 5.944 -15.588 1.00 0.00 O ATOM 348 OE2 GLU A 24 8.356 8.033 -16.270 1.00 0.00 O ATOM 0 H GLU A 24 7.917 8.305 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 24 10.657 7.952 -11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.964 6.480 -12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.971 7.825 -13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.135 8.418 -14.576 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.472 6.712 -14.362 1.00 0.00 H new ATOM 355 N GLN A 25 8.954 10.582 -12.769 1.00 0.00 N ATOM 356 CA GLN A 25 9.092 11.905 -13.365 1.00 0.00 C ATOM 357 C GLN A 25 10.186 12.706 -12.668 1.00 0.00 C ATOM 358 O GLN A 25 10.943 13.432 -13.312 1.00 0.00 O ATOM 359 CB GLN A 25 7.764 12.660 -13.292 1.00 0.00 C ATOM 360 CG GLN A 25 6.616 11.943 -13.982 1.00 0.00 C ATOM 361 CD GLN A 25 6.697 12.030 -15.493 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.440 11.282 -16.131 1.00 0.00 O ATOM 363 NE2 GLN A 25 5.931 12.944 -16.076 1.00 0.00 N ATOM 0 H GLN A 25 8.008 10.355 -12.461 1.00 0.00 H new ATOM 0 HA GLN A 25 9.373 11.778 -14.410 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.504 12.820 -12.246 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.890 13.644 -13.744 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.614 10.895 -13.682 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.671 12.372 -13.647 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.330 13.543 -15.509 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.943 13.048 -17.091 1.00 0.00 H new ATOM 372 N ILE A 26 10.263 12.568 -11.348 1.00 0.00 N ATOM 373 CA ILE A 26 11.265 13.278 -10.563 1.00 0.00 C ATOM 374 C ILE A 26 12.666 12.743 -10.847 1.00 0.00 C ATOM 375 O ILE A 26 13.545 13.481 -11.290 1.00 0.00 O ATOM 376 CB ILE A 26 10.982 13.167 -9.054 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.526 13.536 -8.758 1.00 0.00 C ATOM 378 CG2 ILE A 26 11.931 14.059 -8.269 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.211 14.995 -9.008 1.00 0.00 C ATOM 0 H ILE A 26 9.643 11.971 -10.800 1.00 0.00 H new ATOM 0 HA ILE A 26 11.211 14.326 -10.858 1.00 0.00 H new ATOM 0 HB ILE A 26 11.146 12.135 -8.743 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.871 12.920 -9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.303 13.297 -7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.718 13.969 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.960 13.753 -8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.797 15.095 -8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.163 15.186 -8.778 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.841 15.617 -8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.402 15.234 -10.054 1.00 0.00 H new ATOM 391 N ARG A 27 12.864 11.454 -10.590 1.00 0.00 N ATOM 392 CA ARG A 27 14.157 10.820 -10.816 1.00 0.00 C ATOM 393 C ARG A 27 14.835 11.397 -12.056 1.00 0.00 C ATOM 394 O ARG A 27 16.025 11.714 -12.036 1.00 0.00 O ATOM 395 CB ARG A 27 13.986 9.308 -10.974 1.00 0.00 C ATOM 396 CG ARG A 27 13.929 8.561 -9.651 1.00 0.00 C ATOM 397 CD ARG A 27 15.319 8.201 -9.154 1.00 0.00 C ATOM 398 NE ARG A 27 15.284 7.574 -7.835 1.00 0.00 N ATOM 399 CZ ARG A 27 16.365 7.142 -7.197 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.563 7.270 -7.753 1.00 0.00 N ATOM 401 NH2 ARG A 27 16.252 6.583 -6.000 1.00 0.00 N ATOM 0 H ARG A 27 12.145 10.829 -10.225 1.00 0.00 H new ATOM 0 HA ARG A 27 14.788 11.020 -9.950 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.071 9.111 -11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.813 8.917 -11.567 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.423 9.176 -8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.338 7.653 -9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.794 7.524 -9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.933 9.101 -9.111 1.00 0.00 H new ATOM 0 HE ARG A 27 14.379 7.462 -7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.655 7.701 -8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.392 6.937 -7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.333 6.484 -5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.084 6.252 -5.511 1.00 0.00 H new ATOM 415 N THR A 28 14.070 11.531 -13.134 1.00 0.00 N ATOM 416 CA THR A 28 14.597 12.068 -14.383 1.00 0.00 C ATOM 417 C THR A 28 15.164 13.469 -14.183 1.00 0.00 C ATOM 418 O THR A 28 16.226 13.800 -14.709 1.00 0.00 O ATOM 419 CB THR A 28 13.512 12.117 -15.476 1.00 0.00 C ATOM 420 OG1 THR A 28 12.950 10.813 -15.667 1.00 0.00 O ATOM 421 CG2 THR A 28 14.089 12.624 -16.789 1.00 0.00 C ATOM 0 H THR A 28 13.083 11.275 -13.168 1.00 0.00 H new ATOM 0 HA THR A 28 15.395 11.398 -14.703 1.00 0.00 H new ATOM 0 HB THR A 28 12.731 12.805 -15.152 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.381 10.587 -14.902 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.304 12.650 -17.545 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.489 13.628 -16.647 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.887 11.958 -17.117 1.00 0.00 H new ATOM 429 N ARG A 29 14.449 14.288 -13.419 1.00 0.00 N ATOM 430 CA ARG A 29 14.882 15.654 -13.150 1.00 0.00 C ATOM 431 C ARG A 29 15.945 15.683 -12.056 1.00 0.00 C ATOM 432 O ARG A 29 17.051 16.184 -12.264 1.00 0.00 O ATOM 433 CB ARG A 29 13.687 16.518 -12.737 1.00 0.00 C ATOM 434 CG ARG A 29 12.866 17.022 -13.913 1.00 0.00 C ATOM 435 CD ARG A 29 11.473 17.448 -13.477 1.00 0.00 C ATOM 436 NE ARG A 29 10.853 18.360 -14.434 1.00 0.00 N ATOM 437 CZ ARG A 29 9.602 18.792 -14.334 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.839 18.397 -13.323 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.110 19.622 -15.245 1.00 0.00 N ATOM 0 H ARG A 29 13.568 14.030 -12.975 1.00 0.00 H new ATOM 0 HA ARG A 29 15.316 16.057 -14.065 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.042 15.939 -12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.048 17.372 -12.164 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.376 17.865 -14.380 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.789 16.239 -14.667 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.845 16.565 -13.359 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.531 17.931 -12.502 1.00 0.00 H new ATOM 0 HE ARG A 29 11.412 18.683 -15.223 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.213 17.760 -12.620 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.878 18.731 -13.249 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.693 19.929 -16.023 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.148 19.953 -15.167 1.00 0.00 H new ATOM 453 N HIS A 30 15.604 15.141 -10.892 1.00 0.00 N ATOM 454 CA HIS A 30 16.529 15.104 -9.765 1.00 0.00 C ATOM 455 C HIS A 30 17.034 13.685 -9.523 1.00 0.00 C ATOM 456 O HIS A 30 16.624 13.006 -8.581 1.00 0.00 O ATOM 457 CB HIS A 30 15.851 15.638 -8.503 1.00 0.00 C ATOM 458 CG HIS A 30 15.206 16.977 -8.690 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.905 18.165 -8.627 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.919 17.313 -8.942 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.075 19.172 -8.830 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.865 18.682 -9.025 1.00 0.00 N ATOM 0 H HIS A 30 14.694 14.721 -10.704 1.00 0.00 H new ATOM 0 HA HIS A 30 17.382 15.739 -10.006 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.096 14.923 -8.176 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.590 15.708 -7.705 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.089 16.631 -9.056 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.341 20.219 -8.836 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.026 19.232 -9.208 1.00 0.00 H new ATOM 471 N PRO A 31 17.945 13.224 -10.393 1.00 0.00 N ATOM 472 CA PRO A 31 18.525 11.882 -10.295 1.00 0.00 C ATOM 473 C PRO A 31 19.455 11.738 -9.095 1.00 0.00 C ATOM 474 O PRO A 31 20.008 10.665 -8.850 1.00 0.00 O ATOM 475 CB PRO A 31 19.312 11.738 -11.601 1.00 0.00 C ATOM 476 CG PRO A 31 19.635 13.136 -12.002 1.00 0.00 C ATOM 477 CD PRO A 31 18.479 13.979 -11.539 1.00 0.00 C ATOM 0 HA PRO A 31 17.760 11.118 -10.156 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.217 11.148 -11.455 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.722 11.233 -12.366 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.567 13.467 -11.544 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.765 13.212 -13.082 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.802 14.978 -11.247 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.732 14.102 -12.323 1.00 0.00 H new ATOM 485 N ASP A 32 19.622 12.824 -8.349 1.00 0.00 N ATOM 486 CA ASP A 32 20.485 12.820 -7.173 1.00 0.00 C ATOM 487 C ASP A 32 19.662 12.675 -5.897 1.00 0.00 C ATOM 488 O ASP A 32 20.098 12.047 -4.931 1.00 0.00 O ATOM 489 CB ASP A 32 21.315 14.102 -7.117 1.00 0.00 C ATOM 490 CG ASP A 32 21.816 14.528 -8.483 1.00 0.00 C ATOM 491 OD1 ASP A 32 20.995 15.008 -9.293 1.00 0.00 O ATOM 492 OD2 ASP A 32 23.029 14.381 -8.743 1.00 0.00 O ATOM 0 H ASP A 32 19.171 13.719 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 32 21.158 11.966 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.713 14.903 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.165 13.952 -6.452 1.00 0.00 H new ATOM 497 N LEU A 33 18.469 13.261 -5.898 1.00 0.00 N ATOM 498 CA LEU A 33 17.585 13.199 -4.740 1.00 0.00 C ATOM 499 C LEU A 33 17.318 11.753 -4.336 1.00 0.00 C ATOM 500 O LEU A 33 16.802 10.951 -5.115 1.00 0.00 O ATOM 501 CB LEU A 33 16.265 13.909 -5.044 1.00 0.00 C ATOM 502 CG LEU A 33 16.276 15.433 -4.917 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.861 15.984 -4.977 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.963 15.855 -3.627 1.00 0.00 C ATOM 0 H LEU A 33 18.092 13.784 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 33 18.078 13.703 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.963 13.652 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.501 13.514 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 33 16.838 15.845 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.889 17.070 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.405 15.712 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.273 15.566 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.962 16.942 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.429 15.433 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.991 15.492 -3.627 1.00 0.00 H new ATOM 516 N PRO A 34 17.673 11.411 -3.089 1.00 0.00 N ATOM 517 CA PRO A 34 17.478 10.061 -2.552 1.00 0.00 C ATOM 518 C PRO A 34 16.005 9.733 -2.326 1.00 0.00 C ATOM 519 O PRO A 34 15.159 10.627 -2.289 1.00 0.00 O ATOM 520 CB PRO A 34 18.228 10.099 -1.218 1.00 0.00 C ATOM 521 CG PRO A 34 18.228 11.535 -0.823 1.00 0.00 C ATOM 522 CD PRO A 34 18.291 12.317 -2.106 1.00 0.00 C ATOM 0 HA PRO A 34 17.837 9.294 -3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.733 9.482 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.244 9.718 -1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.330 11.784 -0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.081 11.764 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.747 13.258 -2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.318 12.563 -2.376 1.00 0.00 H new ATOM 530 N PHE A 35 15.706 8.447 -2.178 1.00 0.00 N ATOM 531 CA PHE A 35 14.336 8.002 -1.956 1.00 0.00 C ATOM 532 C PHE A 35 13.616 8.923 -0.974 1.00 0.00 C ATOM 533 O PHE A 35 12.577 9.508 -1.280 1.00 0.00 O ATOM 534 CB PHE A 35 14.322 6.566 -1.429 1.00 0.00 C ATOM 535 CG PHE A 35 13.173 6.277 -0.506 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.893 6.703 -0.817 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.374 5.577 0.672 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.835 6.439 0.032 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.320 5.309 1.525 1.00 0.00 C ATOM 540 CZ PHE A 35 11.049 5.740 1.204 1.00 0.00 C ATOM 0 H PHE A 35 16.394 7.695 -2.208 1.00 0.00 H new ATOM 0 HA PHE A 35 13.811 8.036 -2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.281 5.878 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.257 6.371 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.719 7.248 -1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.367 5.236 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.842 6.779 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.491 4.763 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.223 5.531 1.868 1.00 0.00 H new ATOM 550 N PRO A 36 14.182 9.053 0.236 1.00 0.00 N ATOM 551 CA PRO A 36 13.612 9.900 1.287 1.00 0.00 C ATOM 552 C PRO A 36 13.729 11.386 0.964 1.00 0.00 C ATOM 553 O PRO A 36 13.641 12.232 1.852 1.00 0.00 O ATOM 554 CB PRO A 36 14.454 9.552 2.517 1.00 0.00 C ATOM 555 CG PRO A 36 15.752 9.072 1.964 1.00 0.00 C ATOM 556 CD PRO A 36 15.420 8.385 0.668 1.00 0.00 C ATOM 0 HA PRO A 36 12.545 9.723 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.595 10.421 3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.973 8.783 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.438 9.903 1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.241 8.386 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.218 8.503 -0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.271 7.314 0.807 1.00 0.00 H new ATOM 564 N GLU A 37 13.929 11.693 -0.314 1.00 0.00 N ATOM 565 CA GLU A 37 14.060 13.078 -0.754 1.00 0.00 C ATOM 566 C GLU A 37 13.154 13.356 -1.951 1.00 0.00 C ATOM 567 O GLU A 37 12.732 14.492 -2.171 1.00 0.00 O ATOM 568 CB GLU A 37 15.514 13.386 -1.118 1.00 0.00 C ATOM 569 CG GLU A 37 16.333 13.917 0.046 1.00 0.00 C ATOM 570 CD GLU A 37 16.126 15.401 0.277 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.077 15.772 0.842 1.00 0.00 O ATOM 572 OE2 GLU A 37 17.013 16.191 -0.109 1.00 0.00 O ATOM 0 H GLU A 37 14.004 11.003 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 37 13.755 13.724 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.984 12.479 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.530 14.117 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.066 13.372 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.390 13.726 -0.141 1.00 0.00 H new ATOM 579 N ILE A 38 12.861 12.313 -2.718 1.00 0.00 N ATOM 580 CA ILE A 38 12.006 12.443 -3.891 1.00 0.00 C ATOM 581 C ILE A 38 10.533 12.345 -3.512 1.00 0.00 C ATOM 582 O ILE A 38 9.684 13.027 -4.086 1.00 0.00 O ATOM 583 CB ILE A 38 12.327 11.367 -4.945 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.734 11.575 -5.507 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.294 11.396 -6.062 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.223 10.422 -6.355 1.00 0.00 C ATOM 0 H ILE A 38 13.203 11.367 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 38 12.204 13.427 -4.317 1.00 0.00 H new ATOM 0 HB ILE A 38 12.289 10.388 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.746 12.486 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.428 11.727 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.534 10.630 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.304 11.203 -5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.303 12.375 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.227 10.639 -6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.243 9.512 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.551 10.283 -7.202 1.00 0.00 H new ATOM 598 N THR A 39 10.234 11.491 -2.537 1.00 0.00 N ATOM 599 CA THR A 39 8.863 11.302 -2.079 1.00 0.00 C ATOM 600 C THR A 39 8.348 12.545 -1.362 1.00 0.00 C ATOM 601 O THR A 39 7.240 13.012 -1.625 1.00 0.00 O ATOM 602 CB THR A 39 8.748 10.093 -1.133 1.00 0.00 C ATOM 603 OG1 THR A 39 8.778 8.876 -1.887 1.00 0.00 O ATOM 604 CG2 THR A 39 7.464 10.161 -0.320 1.00 0.00 C ATOM 0 H THR A 39 10.924 10.919 -2.049 1.00 0.00 H new ATOM 0 HA THR A 39 8.256 11.118 -2.965 1.00 0.00 H new ATOM 0 HB THR A 39 9.595 10.115 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.706 8.112 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.406 9.296 0.341 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.458 11.074 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.607 10.162 -0.993 1.00 0.00 H new ATOM 612 N LYS A 40 9.158 13.078 -0.453 1.00 0.00 N ATOM 613 CA LYS A 40 8.786 14.268 0.301 1.00 0.00 C ATOM 614 C LYS A 40 8.224 15.344 -0.623 1.00 0.00 C ATOM 615 O LYS A 40 7.412 16.171 -0.207 1.00 0.00 O ATOM 616 CB LYS A 40 9.996 14.815 1.061 1.00 0.00 C ATOM 617 CG LYS A 40 11.027 15.481 0.166 1.00 0.00 C ATOM 618 CD LYS A 40 11.860 16.494 0.933 1.00 0.00 C ATOM 619 CE LYS A 40 11.155 17.839 1.027 1.00 0.00 C ATOM 620 NZ LYS A 40 11.266 18.612 -0.241 1.00 0.00 N ATOM 0 H LYS A 40 10.078 12.703 -0.221 1.00 0.00 H new ATOM 0 HA LYS A 40 8.013 13.987 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.653 15.535 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.472 13.999 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.681 14.722 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.524 15.976 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.061 16.117 1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.824 16.621 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.103 17.682 1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.585 18.418 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.437 19.231 -0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.130 19.191 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.310 17.955 -1.046 1.00 0.00 H new ATOM 634 N MET A 41 8.661 15.327 -1.878 1.00 0.00 N ATOM 635 CA MET A 41 8.199 16.301 -2.861 1.00 0.00 C ATOM 636 C MET A 41 6.843 15.896 -3.431 1.00 0.00 C ATOM 637 O MET A 41 5.916 16.704 -3.489 1.00 0.00 O ATOM 638 CB MET A 41 9.220 16.440 -3.992 1.00 0.00 C ATOM 639 CG MET A 41 10.419 17.299 -3.625 1.00 0.00 C ATOM 640 SD MET A 41 11.108 18.172 -5.045 1.00 0.00 S ATOM 641 CE MET A 41 11.673 16.797 -6.044 1.00 0.00 C ATOM 0 H MET A 41 9.334 14.650 -2.238 1.00 0.00 H new ATOM 0 HA MET A 41 8.090 17.263 -2.360 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.568 15.448 -4.280 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.728 16.871 -4.864 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.123 18.024 -2.866 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.190 16.669 -3.181 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.666 17.016 -6.436 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.715 15.896 -5.432 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.982 16.641 -6.872 1.00 0.00 H new ATOM 651 N LEU A 42 6.734 14.640 -3.851 1.00 0.00 N ATOM 652 CA LEU A 42 5.492 14.127 -4.417 1.00 0.00 C ATOM 653 C LEU A 42 4.329 14.331 -3.451 1.00 0.00 C ATOM 654 O LEU A 42 3.265 14.813 -3.837 1.00 0.00 O ATOM 655 CB LEU A 42 5.635 12.643 -4.754 1.00 0.00 C ATOM 656 CG LEU A 42 6.756 12.282 -5.730 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.848 10.773 -5.903 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.534 12.962 -7.073 1.00 0.00 C ATOM 0 H LEU A 42 7.492 13.958 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 42 5.283 14.681 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.797 12.094 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.691 12.293 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 42 7.700 12.638 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.651 10.535 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.055 10.308 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.904 10.393 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.341 12.694 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.582 12.637 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.520 14.043 -6.935 1.00 0.00 H new ATOM 670 N GLY A 43 4.539 13.961 -2.191 1.00 0.00 N ATOM 671 CA GLY A 43 3.501 14.113 -1.190 1.00 0.00 C ATOM 672 C GLY A 43 2.821 15.465 -1.259 1.00 0.00 C ATOM 673 O GLY A 43 1.594 15.550 -1.269 1.00 0.00 O ATOM 0 H GLY A 43 5.411 13.558 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.756 13.328 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.934 13.978 -0.199 1.00 0.00 H new ATOM 677 N ALA A 44 3.621 16.526 -1.307 1.00 0.00 N ATOM 678 CA ALA A 44 3.088 17.881 -1.376 1.00 0.00 C ATOM 679 C ALA A 44 2.178 18.052 -2.588 1.00 0.00 C ATOM 680 O ALA A 44 1.139 18.704 -2.508 1.00 0.00 O ATOM 681 CB ALA A 44 4.223 18.892 -1.419 1.00 0.00 C ATOM 0 H ALA A 44 4.640 16.473 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 44 2.493 18.057 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.811 19.900 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.832 18.794 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.841 18.708 -2.297 1.00 0.00 H new ATOM 687 N GLU A 45 2.579 17.462 -3.711 1.00 0.00 N ATOM 688 CA GLU A 45 1.799 17.552 -4.940 1.00 0.00 C ATOM 689 C GLU A 45 0.418 16.928 -4.755 1.00 0.00 C ATOM 690 O GLU A 45 -0.586 17.472 -5.215 1.00 0.00 O ATOM 691 CB GLU A 45 2.534 16.858 -6.089 1.00 0.00 C ATOM 692 CG GLU A 45 3.941 17.385 -6.317 1.00 0.00 C ATOM 693 CD GLU A 45 3.956 18.691 -7.088 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.117 18.850 -7.999 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.806 19.552 -6.781 1.00 0.00 O ATOM 0 H GLU A 45 3.438 16.918 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 45 1.673 18.607 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.584 15.789 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.956 16.980 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.431 17.530 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.521 16.639 -6.861 1.00 0.00 H new ATOM 702 N TRP A 46 0.378 15.785 -4.081 1.00 0.00 N ATOM 703 CA TRP A 46 -0.879 15.086 -3.836 1.00 0.00 C ATOM 704 C TRP A 46 -1.881 15.999 -3.138 1.00 0.00 C ATOM 705 O TRP A 46 -3.082 15.935 -3.403 1.00 0.00 O ATOM 706 CB TRP A 46 -0.635 13.836 -2.990 1.00 0.00 C ATOM 707 CG TRP A 46 -1.899 13.170 -2.536 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.421 13.180 -1.274 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.796 12.396 -3.338 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.589 12.458 -1.243 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.843 11.968 -2.497 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.819 12.025 -4.685 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.897 11.186 -2.962 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.867 11.249 -5.144 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.895 10.838 -4.285 1.00 0.00 C ATOM 0 H TRP A 46 1.201 15.322 -3.694 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.295 14.789 -4.799 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.045 13.124 -3.568 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.042 14.107 -2.117 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.980 13.682 -0.425 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.173 12.310 -0.420 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.032 12.339 -5.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.689 10.865 -2.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.894 10.954 -6.183 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.701 10.235 -4.675 1.00 0.00 H new ATOM 726 N SER A 47 -1.381 16.847 -2.245 1.00 0.00 N ATOM 727 CA SER A 47 -2.235 17.771 -1.506 1.00 0.00 C ATOM 728 C SER A 47 -2.646 18.950 -2.382 1.00 0.00 C ATOM 729 O SER A 47 -3.704 19.547 -2.185 1.00 0.00 O ATOM 730 CB SER A 47 -1.512 18.277 -0.257 1.00 0.00 C ATOM 731 OG SER A 47 -2.436 18.657 0.749 1.00 0.00 O ATOM 0 H SER A 47 -0.389 16.914 -2.015 1.00 0.00 H new ATOM 0 HA SER A 47 -3.135 17.234 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.853 17.498 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.882 19.128 -0.517 1.00 0.00 H new ATOM 0 HG SER A 47 -1.949 18.975 1.537 1.00 0.00 H new ATOM 737 N LYS A 48 -1.801 19.280 -3.353 1.00 0.00 N ATOM 738 CA LYS A 48 -2.075 20.387 -4.262 1.00 0.00 C ATOM 739 C LYS A 48 -2.685 19.882 -5.565 1.00 0.00 C ATOM 740 O LYS A 48 -2.814 20.632 -6.535 1.00 0.00 O ATOM 741 CB LYS A 48 -0.789 21.163 -4.556 1.00 0.00 C ATOM 742 CG LYS A 48 -0.120 21.724 -3.313 1.00 0.00 C ATOM 743 CD LYS A 48 1.279 22.233 -3.614 1.00 0.00 C ATOM 744 CE LYS A 48 2.310 21.117 -3.527 1.00 0.00 C ATOM 745 NZ LYS A 48 3.555 21.452 -4.272 1.00 0.00 N ATOM 0 H LYS A 48 -0.921 18.797 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.791 21.052 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.088 20.506 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.017 21.983 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.724 22.536 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.070 20.951 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.301 22.673 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.538 23.025 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.553 20.927 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.884 20.197 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.724 20.735 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.452 22.386 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.360 21.469 -3.613 1.00 0.00 H new ATOM 759 N LEU A 49 -3.059 18.608 -5.583 1.00 0.00 N ATOM 760 CA LEU A 49 -3.658 18.002 -6.769 1.00 0.00 C ATOM 761 C LEU A 49 -5.026 18.612 -7.060 1.00 0.00 C ATOM 762 O LEU A 49 -5.577 19.343 -6.237 1.00 0.00 O ATOM 763 CB LEU A 49 -3.791 16.489 -6.581 1.00 0.00 C ATOM 764 CG LEU A 49 -2.599 15.650 -7.041 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.883 14.169 -6.846 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.269 15.945 -8.497 1.00 0.00 C ATOM 0 H LEU A 49 -2.959 17.974 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.004 18.200 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.965 16.288 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.677 16.152 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.735 15.917 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.024 13.587 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.069 13.970 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.760 13.887 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.418 15.339 -8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.131 15.707 -9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.022 17.001 -8.607 1.00 0.00 H new ATOM 778 N GLN A 50 -5.568 18.304 -8.234 1.00 0.00 N ATOM 779 CA GLN A 50 -6.871 18.821 -8.631 1.00 0.00 C ATOM 780 C GLN A 50 -7.994 17.940 -8.093 1.00 0.00 C ATOM 781 O GLN A 50 -7.791 16.775 -7.751 1.00 0.00 O ATOM 782 CB GLN A 50 -6.964 18.911 -10.156 1.00 0.00 C ATOM 783 CG GLN A 50 -6.409 20.207 -10.724 1.00 0.00 C ATOM 784 CD GLN A 50 -6.089 20.107 -12.202 1.00 0.00 C ATOM 785 OE1 GLN A 50 -6.511 19.169 -12.878 1.00 0.00 O ATOM 786 NE2 GLN A 50 -5.340 21.077 -12.713 1.00 0.00 N ATOM 0 H GLN A 50 -5.125 17.699 -8.926 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.982 19.819 -8.207 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.425 18.071 -10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.007 18.811 -10.455 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.132 21.007 -10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.506 20.481 -10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.012 21.836 -12.116 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.093 21.063 -13.703 1.00 0.00 H new ATOM 795 N PRO A 51 -9.206 18.507 -8.015 1.00 0.00 N ATOM 796 CA PRO A 51 -10.385 17.791 -7.518 1.00 0.00 C ATOM 797 C PRO A 51 -10.850 16.703 -8.480 1.00 0.00 C ATOM 798 O PRO A 51 -11.819 15.995 -8.210 1.00 0.00 O ATOM 799 CB PRO A 51 -11.445 18.890 -7.403 1.00 0.00 C ATOM 800 CG PRO A 51 -11.024 19.928 -8.384 1.00 0.00 C ATOM 801 CD PRO A 51 -9.521 19.892 -8.405 1.00 0.00 C ATOM 0 HA PRO A 51 -10.183 17.274 -6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.439 18.507 -7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.487 19.295 -6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.433 19.720 -9.373 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.387 20.913 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.127 20.130 -9.393 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.092 20.613 -7.709 1.00 0.00 H new ATOM 809 N ALA A 52 -10.151 16.575 -9.603 1.00 0.00 N ATOM 810 CA ALA A 52 -10.489 15.570 -10.603 1.00 0.00 C ATOM 811 C ALA A 52 -9.406 14.501 -10.698 1.00 0.00 C ATOM 812 O ALA A 52 -9.699 13.325 -10.909 1.00 0.00 O ATOM 813 CB ALA A 52 -10.705 16.227 -11.959 1.00 0.00 C ATOM 0 H ALA A 52 -9.347 17.155 -9.843 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.415 15.084 -10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.957 15.465 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.520 16.947 -11.889 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.793 16.740 -12.264 1.00 0.00 H new ATOM 819 N GLU A 53 -8.154 14.919 -10.541 1.00 0.00 N ATOM 820 CA GLU A 53 -7.028 13.996 -10.610 1.00 0.00 C ATOM 821 C GLU A 53 -6.893 13.203 -9.313 1.00 0.00 C ATOM 822 O GLU A 53 -6.834 11.973 -9.327 1.00 0.00 O ATOM 823 CB GLU A 53 -5.731 14.758 -10.891 1.00 0.00 C ATOM 824 CG GLU A 53 -5.786 15.610 -12.148 1.00 0.00 C ATOM 825 CD GLU A 53 -6.230 14.824 -13.366 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.718 13.703 -13.567 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.089 15.329 -14.118 1.00 0.00 O ATOM 0 H GLU A 53 -7.894 15.890 -10.365 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.215 13.297 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.503 15.398 -10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.912 14.044 -10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.471 16.443 -11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.801 16.038 -12.336 1.00 0.00 H new ATOM 834 N LYS A 54 -6.846 13.915 -8.193 1.00 0.00 N ATOM 835 CA LYS A 54 -6.719 13.281 -6.886 1.00 0.00 C ATOM 836 C LYS A 54 -7.786 12.206 -6.698 1.00 0.00 C ATOM 837 O LYS A 54 -7.517 11.146 -6.134 1.00 0.00 O ATOM 838 CB LYS A 54 -6.833 14.327 -5.775 1.00 0.00 C ATOM 839 CG LYS A 54 -6.230 13.879 -4.455 1.00 0.00 C ATOM 840 CD LYS A 54 -6.887 14.580 -3.277 1.00 0.00 C ATOM 841 CE LYS A 54 -5.938 14.684 -2.092 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.664 14.988 -0.827 1.00 0.00 N ATOM 0 H LYS A 54 -6.894 14.933 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.738 12.809 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.339 15.244 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.885 14.569 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.345 12.800 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.160 14.087 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.206 15.578 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.783 14.034 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.391 13.748 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.201 15.463 -2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.984 15.051 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.166 15.894 -0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.350 14.232 -0.630 1.00 0.00 H new ATOM 856 N GLN A 55 -8.993 12.487 -7.176 1.00 0.00 N ATOM 857 CA GLN A 55 -10.099 11.543 -7.061 1.00 0.00 C ATOM 858 C GLN A 55 -9.919 10.374 -8.024 1.00 0.00 C ATOM 859 O GLN A 55 -10.117 9.217 -7.654 1.00 0.00 O ATOM 860 CB GLN A 55 -11.429 12.247 -7.335 1.00 0.00 C ATOM 861 CG GLN A 55 -12.644 11.366 -7.093 1.00 0.00 C ATOM 862 CD GLN A 55 -12.695 10.814 -5.682 1.00 0.00 C ATOM 863 OE1 GLN A 55 -12.874 11.560 -4.718 1.00 0.00 O ATOM 864 NE2 GLN A 55 -12.537 9.502 -5.552 1.00 0.00 N ATOM 0 H GLN A 55 -9.231 13.360 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.107 11.153 -6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.500 13.131 -6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.441 12.593 -8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.549 11.941 -7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.635 10.538 -7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.391 8.922 -6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.561 9.075 -4.626 1.00 0.00 H new ATOM 873 N ARG A 56 -9.546 10.686 -9.261 1.00 0.00 N ATOM 874 CA ARG A 56 -9.342 9.662 -10.279 1.00 0.00 C ATOM 875 C ARG A 56 -8.352 8.606 -9.797 1.00 0.00 C ATOM 876 O ARG A 56 -8.467 7.429 -10.139 1.00 0.00 O ATOM 877 CB ARG A 56 -8.838 10.295 -11.577 1.00 0.00 C ATOM 878 CG ARG A 56 -8.307 9.286 -12.581 1.00 0.00 C ATOM 879 CD ARG A 56 -7.563 9.968 -13.717 1.00 0.00 C ATOM 880 NE ARG A 56 -6.179 10.274 -13.361 1.00 0.00 N ATOM 881 CZ ARG A 56 -5.205 9.372 -13.363 1.00 0.00 C ATOM 882 NH1 ARG A 56 -5.459 8.116 -13.702 1.00 0.00 N ATOM 883 NH2 ARG A 56 -3.971 9.726 -13.027 1.00 0.00 N ATOM 0 H ARG A 56 -9.379 11.639 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.300 9.178 -10.468 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.651 10.858 -12.036 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.049 11.009 -11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.641 8.586 -12.077 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.135 8.703 -12.985 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.577 9.325 -14.597 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.080 10.889 -13.987 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.949 11.232 -13.097 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.406 7.840 -13.963 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.708 7.426 -13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.770 10.692 -12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.223 9.032 -13.029 1.00 0.00 H new ATOM 897 N TYR A 57 -7.379 9.036 -9.000 1.00 0.00 N ATOM 898 CA TYR A 57 -6.365 8.129 -8.473 1.00 0.00 C ATOM 899 C TYR A 57 -6.980 7.139 -7.488 1.00 0.00 C ATOM 900 O TYR A 57 -6.633 5.958 -7.480 1.00 0.00 O ATOM 901 CB TYR A 57 -5.249 8.920 -7.790 1.00 0.00 C ATOM 902 CG TYR A 57 -4.224 9.475 -8.752 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.563 8.646 -9.649 1.00 0.00 C ATOM 904 CD2 TYR A 57 -3.917 10.830 -8.764 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.624 9.150 -10.528 1.00 0.00 C ATOM 906 CE2 TYR A 57 -2.981 11.343 -9.642 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.337 10.499 -10.521 1.00 0.00 C ATOM 908 OH TYR A 57 -1.404 11.005 -11.398 1.00 0.00 O ATOM 0 H TYR A 57 -7.271 10.006 -8.705 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.944 7.569 -9.308 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.690 9.743 -7.228 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.747 8.275 -7.069 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.787 7.590 -9.660 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.418 11.494 -8.075 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.117 8.491 -11.217 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.755 12.399 -9.639 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.320 11.972 -11.264 1.00 0.00 H new ATOM 918 N LEU A 58 -7.896 7.630 -6.661 1.00 0.00 N ATOM 919 CA LEU A 58 -8.561 6.789 -5.671 1.00 0.00 C ATOM 920 C LEU A 58 -9.336 5.663 -6.346 1.00 0.00 C ATOM 921 O LEU A 58 -9.100 4.485 -6.075 1.00 0.00 O ATOM 922 CB LEU A 58 -9.506 7.631 -4.812 1.00 0.00 C ATOM 923 CG LEU A 58 -8.901 8.882 -4.177 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.983 9.719 -3.510 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.822 8.504 -3.173 1.00 0.00 C ATOM 0 H LEU A 58 -8.195 8.605 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.796 6.346 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.352 7.934 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.901 6.999 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.442 9.479 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.533 10.606 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.720 10.021 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.472 9.130 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.403 9.408 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.256 7.884 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.033 7.948 -3.679 1.00 0.00 H new ATOM 937 N ASP A 59 -10.259 6.031 -7.227 1.00 0.00 N ATOM 938 CA ASP A 59 -11.067 5.051 -7.944 1.00 0.00 C ATOM 939 C ASP A 59 -10.183 4.088 -8.728 1.00 0.00 C ATOM 940 O ASP A 59 -10.279 2.871 -8.567 1.00 0.00 O ATOM 941 CB ASP A 59 -12.040 5.756 -8.890 1.00 0.00 C ATOM 942 CG ASP A 59 -13.170 4.850 -9.338 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.488 3.892 -8.603 1.00 0.00 O ATOM 944 OD2 ASP A 59 -13.736 5.098 -10.424 1.00 0.00 O ATOM 0 H ASP A 59 -10.467 7.002 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.636 4.478 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.456 6.632 -8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.497 6.114 -9.764 1.00 0.00 H new ATOM 949 N GLU A 60 -9.322 4.640 -9.578 1.00 0.00 N ATOM 950 CA GLU A 60 -8.422 3.828 -10.389 1.00 0.00 C ATOM 951 C GLU A 60 -7.812 2.700 -9.560 1.00 0.00 C ATOM 952 O GLU A 60 -7.827 1.539 -9.969 1.00 0.00 O ATOM 953 CB GLU A 60 -7.311 4.697 -10.983 1.00 0.00 C ATOM 954 CG GLU A 60 -7.695 5.361 -12.294 1.00 0.00 C ATOM 955 CD GLU A 60 -7.630 4.407 -13.472 1.00 0.00 C ATOM 956 OE1 GLU A 60 -6.942 3.372 -13.360 1.00 0.00 O ATOM 957 OE2 GLU A 60 -8.267 4.699 -14.506 1.00 0.00 O ATOM 0 H GLU A 60 -9.229 5.645 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.002 3.388 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.038 5.467 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.426 4.082 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.705 5.762 -12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.030 6.205 -12.478 1.00 0.00 H new ATOM 964 N ALA A 61 -7.276 3.052 -8.396 1.00 0.00 N ATOM 965 CA ALA A 61 -6.663 2.069 -7.510 1.00 0.00 C ATOM 966 C ALA A 61 -7.684 1.037 -7.045 1.00 0.00 C ATOM 967 O ALA A 61 -7.379 -0.151 -6.953 1.00 0.00 O ATOM 968 CB ALA A 61 -6.027 2.763 -6.315 1.00 0.00 C ATOM 0 H ALA A 61 -7.254 4.009 -8.045 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.887 1.545 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.573 2.018 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.261 3.457 -6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.791 3.312 -5.764 1.00 0.00 H new ATOM 974 N GLU A 62 -8.895 1.499 -6.751 1.00 0.00 N ATOM 975 CA GLU A 62 -9.959 0.614 -6.293 1.00 0.00 C ATOM 976 C GLU A 62 -10.245 -0.473 -7.325 1.00 0.00 C ATOM 977 O GLU A 62 -10.223 -1.663 -7.013 1.00 0.00 O ATOM 978 CB GLU A 62 -11.233 1.414 -6.013 1.00 0.00 C ATOM 979 CG GLU A 62 -11.261 2.052 -4.634 1.00 0.00 C ATOM 980 CD GLU A 62 -11.107 1.036 -3.519 1.00 0.00 C ATOM 981 OE1 GLU A 62 -11.764 -0.024 -3.587 1.00 0.00 O ATOM 982 OE2 GLU A 62 -10.330 1.301 -2.577 1.00 0.00 O ATOM 0 H GLU A 62 -9.164 2.480 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.628 0.137 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.335 2.194 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.095 0.756 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.461 2.789 -4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.201 2.588 -4.505 1.00 0.00 H new ATOM 989 N LYS A 63 -10.514 -0.054 -8.557 1.00 0.00 N ATOM 990 CA LYS A 63 -10.803 -0.990 -9.638 1.00 0.00 C ATOM 991 C LYS A 63 -9.704 -2.042 -9.755 1.00 0.00 C ATOM 992 O LYS A 63 -9.986 -3.228 -9.923 1.00 0.00 O ATOM 993 CB LYS A 63 -10.950 -0.240 -10.964 1.00 0.00 C ATOM 994 CG LYS A 63 -12.340 0.327 -11.191 1.00 0.00 C ATOM 995 CD LYS A 63 -12.496 1.696 -10.550 1.00 0.00 C ATOM 996 CE LYS A 63 -11.796 2.775 -11.363 1.00 0.00 C ATOM 997 NZ LYS A 63 -12.584 3.163 -12.565 1.00 0.00 N ATOM 0 H LYS A 63 -10.538 0.928 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.741 -1.495 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.225 0.574 -10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.704 -0.916 -11.783 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.533 0.401 -12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.084 -0.355 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.555 1.937 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.085 1.675 -9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.633 3.652 -10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.814 2.417 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.936 3.387 -13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.204 2.375 -12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.163 3.998 -12.346 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.454 -1.599 -9.663 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.315 -2.504 -9.759 1.00 0.00 C ATOM 1013 C GLU A 64 -7.396 -3.595 -8.695 1.00 0.00 C ATOM 1014 O GLU A 64 -7.060 -4.752 -8.947 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.005 -1.729 -9.611 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.598 -0.976 -10.866 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.518 -1.874 -12.084 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -5.257 -3.084 -11.914 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -5.714 -1.368 -13.209 1.00 0.00 O ATOM 0 H GLU A 64 -8.205 -0.620 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.340 -2.975 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.103 -1.021 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.210 -2.424 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.315 -0.177 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.629 -0.503 -10.704 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.846 -3.218 -7.502 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.973 -4.161 -6.398 1.00 0.00 C ATOM 1028 C LYS A 65 -8.763 -5.394 -6.824 1.00 0.00 C ATOM 1029 O LYS A 65 -8.330 -6.526 -6.609 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.655 -3.491 -5.203 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.414 -4.207 -3.885 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.712 -3.305 -2.699 1.00 0.00 C ATOM 1033 CE LYS A 65 -8.455 -4.017 -1.379 1.00 0.00 C ATOM 1034 NZ LYS A 65 -6.999 -4.148 -1.095 1.00 0.00 N ATOM 0 H LYS A 65 -8.129 -2.264 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.972 -4.477 -6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.298 -2.465 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.728 -3.441 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.041 -5.097 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.378 -4.543 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.093 -2.409 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.751 -2.978 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.935 -3.467 -0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.911 -5.007 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.865 -4.638 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.545 -4.695 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.569 -3.203 -1.045 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.925 -5.166 -7.429 1.00 0.00 N ATOM 1049 CA GLN A 66 -10.775 -6.259 -7.886 1.00 0.00 C ATOM 1050 C GLN A 66 -9.955 -7.320 -8.613 1.00 0.00 C ATOM 1051 O GLN A 66 -10.047 -8.507 -8.305 1.00 0.00 O ATOM 1052 CB GLN A 66 -11.874 -5.728 -8.806 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.908 -4.873 -8.090 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.788 -5.682 -7.157 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -13.392 -6.008 -6.038 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -14.991 -6.010 -7.615 1.00 0.00 N ATOM 0 H GLN A 66 -10.299 -4.235 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.234 -6.718 -7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.417 -5.140 -9.602 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.377 -6.570 -9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.399 -4.095 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.533 -4.371 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.278 -5.718 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.628 -6.553 -7.032 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.155 -6.881 -9.579 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.319 -7.794 -10.351 1.00 0.00 C ATOM 1067 C GLN A 67 -7.523 -8.714 -9.431 1.00 0.00 C ATOM 1068 O GLN A 67 -7.696 -9.933 -9.454 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.368 -7.007 -11.255 1.00 0.00 C ATOM 1070 CG GLN A 67 -6.818 -7.821 -12.415 1.00 0.00 C ATOM 1071 CD GLN A 67 -6.519 -6.971 -13.634 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -5.365 -6.836 -14.042 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -7.559 -6.393 -14.223 1.00 0.00 N ATOM 0 H GLN A 67 -9.068 -5.900 -9.846 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.972 -8.409 -10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.892 -6.136 -11.649 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.536 -6.635 -10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.907 -8.328 -12.098 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.537 -8.595 -12.684 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.498 -6.532 -13.851 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.419 -5.810 -15.048 1.00 0.00 H new ATOM 1082 N TYR A 68 -6.650 -8.122 -8.623 1.00 0.00 N ATOM 1083 CA TYR A 68 -5.825 -8.888 -7.697 1.00 0.00 C ATOM 1084 C TYR A 68 -6.655 -9.940 -6.970 1.00 0.00 C ATOM 1085 O TYR A 68 -6.337 -11.130 -7.001 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.161 -7.955 -6.683 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.884 -8.611 -5.349 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.879 -8.721 -4.385 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.627 -9.124 -5.053 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -5.629 -9.319 -3.166 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -3.368 -9.725 -3.835 1.00 0.00 C ATOM 1092 CZ TYR A 68 -4.373 -9.820 -2.895 1.00 0.00 C ATOM 1093 OH TYR A 68 -4.121 -10.417 -1.682 1.00 0.00 O ATOM 0 H TYR A 68 -6.496 -7.114 -8.591 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.052 -9.397 -8.273 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.223 -7.587 -7.100 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.802 -7.087 -6.526 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.865 -8.332 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.838 -9.052 -5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.414 -9.394 -2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.385 -10.118 -3.621 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.188 -10.717 -1.652 1.00 0.00 H new ATOM 1103 N LEU A 69 -7.723 -9.495 -6.317 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.603 -10.397 -5.582 1.00 0.00 C ATOM 1105 C LEU A 69 -8.905 -11.649 -6.399 1.00 0.00 C ATOM 1106 O LEU A 69 -8.643 -12.769 -5.959 1.00 0.00 O ATOM 1107 CB LEU A 69 -9.907 -9.686 -5.218 1.00 0.00 C ATOM 1108 CG LEU A 69 -9.895 -8.889 -3.912 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.105 -7.972 -3.836 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -9.857 -9.828 -2.715 1.00 0.00 C ATOM 0 H LEU A 69 -8.001 -8.514 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.092 -10.697 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.167 -9.009 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.700 -10.432 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.997 -8.272 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.080 -7.413 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.088 -7.276 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.017 -8.568 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.849 -9.244 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.737 -10.471 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.958 -10.442 -2.763 1.00 0.00 H new ATOM 1122 N LYS A 70 -9.454 -11.453 -7.593 1.00 0.00 N ATOM 1123 CA LYS A 70 -9.789 -12.565 -8.474 1.00 0.00 C ATOM 1124 C LYS A 70 -8.618 -13.536 -8.594 1.00 0.00 C ATOM 1125 O LYS A 70 -8.730 -14.704 -8.226 1.00 0.00 O ATOM 1126 CB LYS A 70 -10.177 -12.045 -9.860 1.00 0.00 C ATOM 1127 CG LYS A 70 -11.445 -11.208 -9.863 1.00 0.00 C ATOM 1128 CD LYS A 70 -11.655 -10.518 -11.200 1.00 0.00 C ATOM 1129 CE LYS A 70 -12.165 -11.489 -12.253 1.00 0.00 C ATOM 1130 NZ LYS A 70 -11.063 -12.302 -12.838 1.00 0.00 N ATOM 0 H LYS A 70 -9.677 -10.533 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.636 -13.096 -8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.356 -11.448 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.309 -12.892 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.302 -11.844 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.390 -10.461 -9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.367 -9.701 -11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.716 -10.077 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.907 -12.151 -11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.667 -10.934 -13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.158 -12.321 -13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.147 -11.881 -12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.113 -13.273 -12.468 1.00 0.00 H new ATOM 1144 N GLU A 71 -7.496 -13.042 -9.109 1.00 0.00 N ATOM 1145 CA GLU A 71 -6.305 -13.867 -9.276 1.00 0.00 C ATOM 1146 C GLU A 71 -6.046 -14.707 -8.028 1.00 0.00 C ATOM 1147 O GLU A 71 -5.980 -15.935 -8.095 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.088 -12.990 -9.575 1.00 0.00 C ATOM 1149 CG GLU A 71 -4.859 -12.753 -11.059 1.00 0.00 C ATOM 1150 CD GLU A 71 -4.432 -14.010 -11.792 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -3.685 -14.817 -11.199 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -4.846 -14.187 -12.956 1.00 0.00 O ATOM 0 H GLU A 71 -7.387 -12.076 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.475 -14.539 -10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.212 -12.028 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.200 -13.457 -9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.775 -12.369 -11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.096 -11.985 -11.187 1.00 0.00 H new ATOM 1159 N LEU A 72 -5.900 -14.036 -6.891 1.00 0.00 N ATOM 1160 CA LEU A 72 -5.647 -14.719 -5.627 1.00 0.00 C ATOM 1161 C LEU A 72 -6.311 -16.092 -5.608 1.00 0.00 C ATOM 1162 O LEU A 72 -5.644 -17.117 -5.749 1.00 0.00 O ATOM 1163 CB LEU A 72 -6.159 -13.876 -4.458 1.00 0.00 C ATOM 1164 CG LEU A 72 -5.936 -14.459 -3.062 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -4.478 -14.843 -2.871 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -6.371 -13.466 -1.994 1.00 0.00 C ATOM 0 H LEU A 72 -5.952 -13.020 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.570 -14.855 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.678 -12.899 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.228 -13.712 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.544 -15.359 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.338 -15.256 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.198 -15.589 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.851 -13.960 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.205 -13.897 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.790 -12.549 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.430 -13.239 -2.118 1.00 0.00 H new