USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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= -0.31 X(o=-0.31,f=-0.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.0044) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 37 THR OG1 : rot 66:sc= 0.797 USER MOD Single : A 40 SER OG : rot -60:sc= -0.479 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.14) USER MOD Single : A 48 CYS SG : rot 31:sc= 0.446 USER MOD Single : A 61 THR OG1 : rot -78:sc= 0.592 USER MOD Single : A 63 SER OG : rot -53:sc= 0.00103 USER MOD Single : A 64 MET CE :methyl -157:sc= -7.91! (180deg=-8.55!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-10!) USER MOD Single : A 70 GLN : amide:sc= -0.86 K(o=-0.86,f=-2.1!) USER MOD Single : A 74 LYS NZ :NH3+ 124:sc= -0.0238 (180deg=-0.852) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.664 USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= -0.64 (180deg=-0.675) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -15.065 2.352 -3.224 1.00 0.00 N ATOM 60 CA GLY A 7 -14.309 1.689 -4.270 1.00 0.00 C ATOM 61 C GLY A 7 -13.271 0.731 -3.717 1.00 0.00 C ATOM 62 O GLY A 7 -12.081 1.041 -3.696 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.994 1.143 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.815 2.439 -4.888 1.00 0.00 H new ATOM 66 N ASN A 8 -13.724 -0.434 -3.267 1.00 0.00 N ATOM 67 CA ASN A 8 -12.826 -1.439 -2.710 1.00 0.00 C ATOM 68 C ASN A 8 -11.891 -1.989 -3.783 1.00 0.00 C ATOM 69 O ASN A 8 -12.314 -2.272 -4.904 1.00 0.00 O ATOM 70 CB ASN A 8 -13.630 -2.581 -2.085 1.00 0.00 C ATOM 71 CG ASN A 8 -14.149 -3.558 -3.122 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.240 -3.382 -3.666 1.00 0.00 O ATOM 73 ND2 ASN A 8 -13.369 -4.595 -3.400 1.00 0.00 N ATOM 0 H ASN A 8 -14.707 -0.706 -3.277 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.223 -0.962 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.003 -3.114 -1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.470 -2.167 -1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.666 -5.286 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.473 -4.701 -2.925 1.00 0.00 H new ATOM 80 N VAL A 9 -10.618 -2.137 -3.431 1.00 0.00 N ATOM 81 CA VAL A 9 -9.623 -2.654 -4.363 1.00 0.00 C ATOM 82 C VAL A 9 -8.695 -3.651 -3.678 1.00 0.00 C ATOM 83 O VAL A 9 -7.829 -3.270 -2.891 1.00 0.00 O ATOM 84 CB VAL A 9 -8.779 -1.518 -4.971 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.685 -2.084 -5.864 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.664 -0.552 -5.744 1.00 0.00 C ATOM 0 H VAL A 9 -10.251 -1.906 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.168 -3.158 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.303 -0.968 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.099 -1.267 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.034 -2.732 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.136 -2.660 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.051 0.244 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.170 -1.086 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.406 -0.121 -5.072 1.00 0.00 H new ATOM 96 N VAL A 10 -8.881 -4.931 -3.984 1.00 0.00 N ATOM 97 CA VAL A 10 -8.060 -5.985 -3.400 1.00 0.00 C ATOM 98 C VAL A 10 -7.175 -6.640 -4.454 1.00 0.00 C ATOM 99 O VAL A 10 -7.669 -7.256 -5.399 1.00 0.00 O ATOM 100 CB VAL A 10 -8.927 -7.066 -2.729 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.117 -7.839 -1.700 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.158 -6.440 -2.089 1.00 0.00 C ATOM 0 H VAL A 10 -9.594 -5.263 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.432 -5.514 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.259 -7.767 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.747 -8.598 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.270 -8.320 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.752 -7.154 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.760 -7.218 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.848 -5.716 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.749 -5.936 -2.854 1.00 0.00 H new ATOM 112 N LEU A 11 -5.864 -6.505 -4.285 1.00 0.00 N ATOM 113 CA LEU A 11 -4.908 -7.085 -5.222 1.00 0.00 C ATOM 114 C LEU A 11 -4.300 -8.365 -4.658 1.00 0.00 C ATOM 115 O LEU A 11 -3.957 -8.450 -3.478 1.00 0.00 O ATOM 116 CB LEU A 11 -3.802 -6.078 -5.541 1.00 0.00 C ATOM 117 CG LEU A 11 -4.240 -4.620 -5.678 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.030 -3.699 -5.711 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.088 -4.433 -6.928 1.00 0.00 C ATOM 0 H LEU A 11 -5.439 -5.999 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.441 -7.333 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.047 -6.137 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.320 -6.380 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.845 -4.360 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.362 -2.665 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.462 -3.812 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.398 -3.959 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.391 -3.389 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.507 -4.712 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.974 -5.064 -6.864 1.00 0.00 H new ATOM 131 N PRO A 12 -4.161 -9.384 -5.518 1.00 0.00 N ATOM 132 CA PRO A 12 -3.591 -10.677 -5.128 1.00 0.00 C ATOM 133 C PRO A 12 -2.096 -10.588 -4.840 1.00 0.00 C ATOM 134 O PRO A 12 -1.301 -10.271 -5.723 1.00 0.00 O ATOM 135 CB PRO A 12 -3.848 -11.561 -6.351 1.00 0.00 C ATOM 136 CG PRO A 12 -3.939 -10.610 -7.494 1.00 0.00 C ATOM 137 CD PRO A 12 -4.549 -9.352 -6.939 1.00 0.00 C ATOM 0 HA PRO A 12 -4.035 -11.058 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.041 -12.279 -6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.768 -12.134 -6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.954 -10.412 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.553 -11.021 -8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.165 -8.464 -7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.632 -9.343 -7.060 1.00 0.00 H new ATOM 145 N GLY A 13 -1.721 -10.871 -3.596 1.00 0.00 N ATOM 146 CA GLY A 13 -0.322 -10.818 -3.213 1.00 0.00 C ATOM 147 C GLY A 13 0.283 -12.196 -3.033 1.00 0.00 C ATOM 148 O GLY A 13 -0.230 -13.193 -3.540 1.00 0.00 O ATOM 0 H GLY A 13 -2.361 -11.136 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.239 -10.275 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.224 -10.257 -2.283 1.00 0.00 H new ATOM 152 N PRO A 14 1.402 -12.264 -2.296 1.00 0.00 N ATOM 153 CA PRO A 14 2.022 -11.083 -1.688 1.00 0.00 C ATOM 154 C PRO A 14 2.645 -10.156 -2.726 1.00 0.00 C ATOM 155 O PRO A 14 2.469 -10.348 -3.929 1.00 0.00 O ATOM 156 CB PRO A 14 3.105 -11.677 -0.784 1.00 0.00 C ATOM 157 CG PRO A 14 3.430 -12.995 -1.398 1.00 0.00 C ATOM 158 CD PRO A 14 2.148 -13.498 -2.001 1.00 0.00 C ATOM 0 HA PRO A 14 1.294 -10.468 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.983 -11.032 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.747 -11.794 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.204 -12.891 -2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.809 -13.691 -0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.330 -14.082 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.604 -14.141 -1.309 1.00 0.00 H new ATOM 166 N ALA A 15 3.374 -9.150 -2.254 1.00 0.00 N ATOM 167 CA ALA A 15 4.025 -8.194 -3.141 1.00 0.00 C ATOM 168 C ALA A 15 5.103 -8.871 -3.980 1.00 0.00 C ATOM 169 O ALA A 15 5.507 -10.005 -3.718 1.00 0.00 O ATOM 170 CB ALA A 15 4.620 -7.048 -2.338 1.00 0.00 C ATOM 0 H ALA A 15 3.529 -8.976 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 15 3.271 -7.794 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.103 -6.342 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.828 -6.540 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.356 -7.439 -1.636 1.00 0.00 H new ATOM 176 N PRO A 16 5.582 -8.163 -5.013 1.00 0.00 N ATOM 177 CA PRO A 16 5.109 -6.813 -5.335 1.00 0.00 C ATOM 178 C PRO A 16 3.681 -6.812 -5.869 1.00 0.00 C ATOM 179 O PRO A 16 3.055 -7.864 -5.996 1.00 0.00 O ATOM 180 CB PRO A 16 6.085 -6.344 -6.416 1.00 0.00 C ATOM 181 CG PRO A 16 6.586 -7.598 -7.045 1.00 0.00 C ATOM 182 CD PRO A 16 6.622 -8.625 -5.948 1.00 0.00 C ATOM 0 HA PRO A 16 5.084 -6.169 -4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.589 -5.705 -7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.901 -5.763 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.931 -7.916 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.577 -7.450 -7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.407 -9.624 -6.326 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.601 -8.669 -5.470 1.00 0.00 H new ATOM 190 N TRP A 17 3.172 -5.625 -6.180 1.00 0.00 N ATOM 191 CA TRP A 17 1.817 -5.488 -6.702 1.00 0.00 C ATOM 192 C TRP A 17 1.836 -5.004 -8.147 1.00 0.00 C ATOM 193 O TRP A 17 1.252 -5.631 -9.030 1.00 0.00 O ATOM 194 CB TRP A 17 1.011 -4.517 -5.836 1.00 0.00 C ATOM 195 CG TRP A 17 1.129 -4.793 -4.368 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.834 -4.065 -3.452 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.526 -5.872 -3.647 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.706 -4.628 -2.205 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.907 -5.737 -2.298 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.301 -6.939 -4.010 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.490 -6.630 -1.314 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.714 -7.824 -3.032 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.319 -7.665 -1.697 1.00 0.00 C ATOM 0 H TRP A 17 3.677 -4.744 -6.080 1.00 0.00 H new ATOM 0 HA TRP A 17 1.343 -6.469 -6.674 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.347 -3.499 -6.035 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -0.039 -4.569 -6.125 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.408 -3.178 -3.675 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.136 -4.277 -1.349 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.612 -7.069 -5.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.794 -6.510 -0.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.352 -8.653 -3.301 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.660 -8.373 -0.956 1.00 0.00 H new ATOM 214 N GLY A 18 2.512 -3.883 -8.383 1.00 0.00 N ATOM 215 CA GLY A 18 2.594 -3.335 -9.724 1.00 0.00 C ATOM 216 C GLY A 18 2.222 -1.866 -9.773 1.00 0.00 C ATOM 217 O GLY A 18 2.343 -1.222 -10.816 1.00 0.00 O ATOM 0 H GLY A 18 3.004 -3.345 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.607 -3.463 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.933 -3.896 -10.384 1.00 0.00 H new ATOM 221 N PHE A 19 1.767 -1.334 -8.644 1.00 0.00 N ATOM 222 CA PHE A 19 1.373 0.068 -8.563 1.00 0.00 C ATOM 223 C PHE A 19 2.349 0.858 -7.697 1.00 0.00 C ATOM 224 O PHE A 19 2.937 0.321 -6.758 1.00 0.00 O ATOM 225 CB PHE A 19 -0.043 0.190 -7.996 1.00 0.00 C ATOM 226 CG PHE A 19 -0.114 -0.018 -6.511 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.311 0.971 -5.638 1.00 0.00 C ATOM 228 CD2 PHE A 19 -0.606 -1.202 -5.986 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.247 0.784 -4.271 1.00 0.00 C ATOM 230 CE2 PHE A 19 -0.674 -1.395 -4.619 1.00 0.00 C ATOM 231 CZ PHE A 19 -0.245 -0.402 -3.760 1.00 0.00 C ATOM 0 H PHE A 19 1.662 -1.852 -7.772 1.00 0.00 H new ATOM 0 HA PHE A 19 1.391 0.483 -9.571 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.438 1.177 -8.236 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.687 -0.539 -8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.697 1.900 -6.032 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.940 -1.983 -6.653 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.581 1.564 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.062 -2.322 -4.223 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.294 -0.552 -2.692 1.00 0.00 H new ATOM 241 N ARG A 20 2.517 2.136 -8.020 1.00 0.00 N ATOM 242 CA ARG A 20 3.423 3.000 -7.273 1.00 0.00 C ATOM 243 C ARG A 20 2.646 3.925 -6.340 1.00 0.00 C ATOM 244 O ARG A 20 1.415 3.942 -6.348 1.00 0.00 O ATOM 245 CB ARG A 20 4.278 3.829 -8.233 1.00 0.00 C ATOM 246 CG ARG A 20 4.871 3.019 -9.374 1.00 0.00 C ATOM 247 CD ARG A 20 5.618 1.797 -8.861 1.00 0.00 C ATOM 248 NE ARG A 20 6.373 1.133 -9.920 1.00 0.00 N ATOM 249 CZ ARG A 20 5.840 0.261 -10.768 1.00 0.00 C ATOM 250 NH1 ARG A 20 4.554 -0.050 -10.682 1.00 0.00 N ATOM 251 NH2 ARG A 20 6.593 -0.301 -11.705 1.00 0.00 N ATOM 0 H ARG A 20 2.038 2.596 -8.794 1.00 0.00 H new ATOM 0 HA ARG A 20 4.074 2.367 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.669 4.633 -8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.087 4.298 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.076 2.704 -10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.550 3.646 -9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.298 2.096 -8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.908 1.094 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 20 7.365 1.351 -10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.972 0.381 -9.964 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.147 -0.720 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.583 -0.063 -11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.182 -0.971 -12.356 1.00 0.00 H new ATOM 265 N LEU A 21 3.374 4.691 -5.535 1.00 0.00 N ATOM 266 CA LEU A 21 2.754 5.619 -4.595 1.00 0.00 C ATOM 267 C LEU A 21 3.340 7.019 -4.745 1.00 0.00 C ATOM 268 O LEU A 21 4.494 7.181 -5.141 1.00 0.00 O ATOM 269 CB LEU A 21 2.946 5.125 -3.160 1.00 0.00 C ATOM 270 CG LEU A 21 4.270 4.420 -2.864 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.445 5.307 -3.248 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.351 4.032 -1.395 1.00 0.00 C ATOM 0 H LEU A 21 4.394 4.688 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 21 1.688 5.666 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.854 5.978 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.132 4.441 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 21 4.317 3.510 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.379 4.789 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.396 5.535 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.403 6.234 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.300 3.531 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.282 4.928 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.529 3.359 -1.151 1.00 0.00 H new ATOM 284 N SER A 22 2.536 8.028 -4.424 1.00 0.00 N ATOM 285 CA SER A 22 2.974 9.416 -4.525 1.00 0.00 C ATOM 286 C SER A 22 2.376 10.257 -3.401 1.00 0.00 C ATOM 287 O SER A 22 1.406 9.856 -2.759 1.00 0.00 O ATOM 288 CB SER A 22 2.577 10.000 -5.882 1.00 0.00 C ATOM 289 OG SER A 22 3.516 10.970 -6.313 1.00 0.00 O ATOM 0 H SER A 22 1.579 7.911 -4.092 1.00 0.00 H new ATOM 0 HA SER A 22 4.060 9.437 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.510 9.201 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.588 10.453 -5.812 1.00 0.00 H new ATOM 0 HG SER A 22 3.241 11.327 -7.183 1.00 0.00 H new ATOM 295 N GLY A 23 2.964 11.427 -3.169 1.00 0.00 N ATOM 296 CA GLY A 23 2.477 12.307 -2.123 1.00 0.00 C ATOM 297 C GLY A 23 2.735 11.756 -0.735 1.00 0.00 C ATOM 298 O GLY A 23 3.652 10.960 -0.536 1.00 0.00 O ATOM 0 H GLY A 23 3.769 11.781 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.957 13.281 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.407 12.465 -2.255 1.00 0.00 H new ATOM 302 N GLY A 24 1.926 12.183 0.230 1.00 0.00 N ATOM 303 CA GLY A 24 2.089 11.718 1.595 1.00 0.00 C ATOM 304 C GLY A 24 1.685 12.764 2.615 1.00 0.00 C ATOM 305 O GLY A 24 1.984 13.947 2.452 1.00 0.00 O ATOM 0 H GLY A 24 1.161 12.843 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.490 10.819 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.130 11.438 1.759 1.00 0.00 H new ATOM 309 N ILE A 25 1.004 12.327 3.669 1.00 0.00 N ATOM 310 CA ILE A 25 0.559 13.235 4.719 1.00 0.00 C ATOM 311 C ILE A 25 1.723 14.050 5.272 1.00 0.00 C ATOM 312 O ILE A 25 1.523 15.052 5.959 1.00 0.00 O ATOM 313 CB ILE A 25 -0.112 12.471 5.876 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.883 11.507 6.525 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.336 11.719 5.375 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.625 11.272 7.997 1.00 0.00 C ATOM 0 H ILE A 25 0.749 11.351 3.818 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.170 13.908 4.266 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.435 13.191 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.846 10.552 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.892 11.900 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.799 11.184 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.051 12.426 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.036 11.007 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.368 10.579 8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.691 12.218 8.534 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.371 10.849 8.129 1.00 0.00 H new ATOM 328 N ASP A 26 2.941 13.615 4.965 1.00 0.00 N ATOM 329 CA ASP A 26 4.138 14.306 5.428 1.00 0.00 C ATOM 330 C ASP A 26 4.550 15.398 4.446 1.00 0.00 C ATOM 331 O ASP A 26 5.203 16.372 4.821 1.00 0.00 O ATOM 332 CB ASP A 26 5.286 13.312 5.615 1.00 0.00 C ATOM 333 CG ASP A 26 6.321 13.804 6.609 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.167 13.520 7.815 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.285 14.473 6.180 1.00 0.00 O ATOM 0 H ASP A 26 3.124 12.787 4.398 1.00 0.00 H new ATOM 0 HA ASP A 26 3.910 14.772 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.885 12.357 5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.767 13.131 4.654 1.00 0.00 H new ATOM 340 N PHE A 27 4.164 15.229 3.185 1.00 0.00 N ATOM 341 CA PHE A 27 4.495 16.199 2.148 1.00 0.00 C ATOM 342 C PHE A 27 3.301 17.100 1.846 1.00 0.00 C ATOM 343 O PHE A 27 3.305 17.846 0.868 1.00 0.00 O ATOM 344 CB PHE A 27 4.942 15.481 0.873 1.00 0.00 C ATOM 345 CG PHE A 27 6.175 14.643 1.057 1.00 0.00 C ATOM 346 CD1 PHE A 27 6.082 13.346 1.536 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.427 15.152 0.752 1.00 0.00 C ATOM 348 CE1 PHE A 27 7.214 12.572 1.707 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.562 14.383 0.920 1.00 0.00 C ATOM 350 CZ PHE A 27 8.456 13.092 1.399 1.00 0.00 C ATOM 0 H PHE A 27 3.622 14.430 2.857 1.00 0.00 H new ATOM 0 HA PHE A 27 5.313 16.820 2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.130 14.845 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.129 16.221 0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.113 12.935 1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.516 16.161 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.128 11.562 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.532 14.791 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.343 12.490 1.533 1.00 0.00 H new ATOM 360 N ASN A 28 2.280 17.024 2.694 1.00 0.00 N ATOM 361 CA ASN A 28 1.079 17.831 2.518 1.00 0.00 C ATOM 362 C ASN A 28 0.411 17.528 1.180 1.00 0.00 C ATOM 363 O ASN A 28 -0.057 18.434 0.490 1.00 0.00 O ATOM 364 CB ASN A 28 1.422 19.320 2.604 1.00 0.00 C ATOM 365 CG ASN A 28 2.185 19.665 3.868 1.00 0.00 C ATOM 366 OD1 ASN A 28 1.662 19.538 4.976 1.00 0.00 O ATOM 367 ND2 ASN A 28 3.427 20.105 3.708 1.00 0.00 N ATOM 0 H ASN A 28 2.261 16.412 3.510 1.00 0.00 H new ATOM 0 HA ASN A 28 0.382 17.579 3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.016 19.604 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.503 19.905 2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.989 20.354 4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.820 20.194 2.771 1.00 0.00 H new ATOM 374 N GLN A 29 0.370 16.249 0.821 1.00 0.00 N ATOM 375 CA GLN A 29 -0.240 15.828 -0.434 1.00 0.00 C ATOM 376 C GLN A 29 -0.929 14.476 -0.277 1.00 0.00 C ATOM 377 O GLN A 29 -0.528 13.637 0.530 1.00 0.00 O ATOM 378 CB GLN A 29 0.815 15.750 -1.538 1.00 0.00 C ATOM 379 CG GLN A 29 1.131 17.094 -2.175 1.00 0.00 C ATOM 380 CD GLN A 29 1.737 16.957 -3.557 1.00 0.00 C ATOM 381 OE1 GLN A 29 2.851 17.418 -3.808 1.00 0.00 O ATOM 382 NE2 GLN A 29 1.005 16.321 -4.465 1.00 0.00 N ATOM 0 H GLN A 29 0.752 15.487 1.381 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.990 16.569 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.731 15.329 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.470 15.063 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.217 17.685 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.820 17.643 -1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.087 15.955 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.361 16.199 -5.413 1.00 0.00 H new ATOM 391 N PRO A 30 -1.992 14.258 -1.066 1.00 0.00 N ATOM 392 CA PRO A 30 -2.760 13.010 -1.033 1.00 0.00 C ATOM 393 C PRO A 30 -1.975 11.831 -1.599 1.00 0.00 C ATOM 394 O PRO A 30 -1.193 11.987 -2.539 1.00 0.00 O ATOM 395 CB PRO A 30 -3.974 13.316 -1.913 1.00 0.00 C ATOM 396 CG PRO A 30 -3.511 14.391 -2.835 1.00 0.00 C ATOM 397 CD PRO A 30 -2.526 15.214 -2.051 1.00 0.00 C ATOM 0 HA PRO A 30 -3.018 12.717 -0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.296 12.433 -2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.824 13.646 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.045 13.968 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.348 15.002 -3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.739 15.615 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.007 16.064 -1.567 1.00 0.00 H new ATOM 405 N LEU A 31 -2.187 10.654 -1.023 1.00 0.00 N ATOM 406 CA LEU A 31 -1.499 9.448 -1.471 1.00 0.00 C ATOM 407 C LEU A 31 -2.082 8.946 -2.788 1.00 0.00 C ATOM 408 O LEU A 31 -3.136 8.311 -2.811 1.00 0.00 O ATOM 409 CB LEU A 31 -1.600 8.354 -0.406 1.00 0.00 C ATOM 410 CG LEU A 31 -0.536 8.385 0.691 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.779 7.276 1.702 1.00 0.00 C ATOM 412 CD2 LEU A 31 0.856 8.265 0.089 1.00 0.00 C ATOM 0 H LEU A 31 -2.830 10.508 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.450 9.696 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.581 8.423 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.552 7.385 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.604 9.342 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.012 7.314 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.760 7.408 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.740 6.310 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.600 8.289 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.937 7.324 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.030 9.096 -0.595 1.00 0.00 H new ATOM 424 N VAL A 32 -1.387 9.234 -3.885 1.00 0.00 N ATOM 425 CA VAL A 32 -1.834 8.809 -5.206 1.00 0.00 C ATOM 426 C VAL A 32 -0.765 7.978 -5.906 1.00 0.00 C ATOM 427 O VAL A 32 0.427 8.122 -5.631 1.00 0.00 O ATOM 428 CB VAL A 32 -2.192 10.017 -6.092 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.284 9.647 -7.084 1.00 0.00 C ATOM 430 CG2 VAL A 32 -2.616 11.200 -5.235 1.00 0.00 C ATOM 0 H VAL A 32 -0.513 9.760 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.725 8.199 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.306 10.307 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.524 10.513 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.937 8.833 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.175 9.330 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.865 12.044 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.488 10.926 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.799 11.479 -4.570 1.00 0.00 H new ATOM 440 N ILE A 33 -1.199 7.109 -6.813 1.00 0.00 N ATOM 441 CA ILE A 33 -0.279 6.256 -7.554 1.00 0.00 C ATOM 442 C ILE A 33 0.504 7.058 -8.587 1.00 0.00 C ATOM 443 O ILE A 33 -0.051 7.915 -9.276 1.00 0.00 O ATOM 444 CB ILE A 33 -1.023 5.111 -8.267 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.652 4.166 -7.240 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.074 4.351 -9.182 1.00 0.00 C ATOM 447 CD1 ILE A 33 -2.850 3.410 -7.771 1.00 0.00 C ATOM 0 H ILE A 33 -2.182 6.977 -7.052 1.00 0.00 H new ATOM 0 HA ILE A 33 0.413 5.832 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.819 5.538 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.900 3.451 -6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.954 4.742 -6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.615 3.545 -9.679 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.332 5.031 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.742 3.932 -8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.245 2.760 -6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.620 4.118 -8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.549 2.807 -8.628 1.00 0.00 H new ATOM 459 N THR A 34 1.799 6.774 -8.692 1.00 0.00 N ATOM 460 CA THR A 34 2.659 7.469 -9.642 1.00 0.00 C ATOM 461 C THR A 34 2.610 6.807 -11.014 1.00 0.00 C ATOM 462 O THR A 34 2.584 7.486 -12.041 1.00 0.00 O ATOM 463 CB THR A 34 4.120 7.506 -9.154 1.00 0.00 C ATOM 464 OG1 THR A 34 4.789 6.294 -9.521 1.00 0.00 O ATOM 465 CG2 THR A 34 4.182 7.689 -7.645 1.00 0.00 C ATOM 0 H THR A 34 2.275 6.068 -8.131 1.00 0.00 H new ATOM 0 HA THR A 34 2.284 8.489 -9.720 1.00 0.00 H new ATOM 0 HB THR A 34 4.617 8.353 -9.627 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.717 6.325 -9.209 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.223 7.712 -7.324 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.697 8.626 -7.372 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.670 6.860 -7.157 1.00 0.00 H new ATOM 473 N ARG A 35 2.597 5.478 -11.025 1.00 0.00 N ATOM 474 CA ARG A 35 2.552 4.725 -12.272 1.00 0.00 C ATOM 475 C ARG A 35 1.980 3.328 -12.043 1.00 0.00 C ATOM 476 O ARG A 35 1.855 2.877 -10.904 1.00 0.00 O ATOM 477 CB ARG A 35 3.951 4.620 -12.881 1.00 0.00 C ATOM 478 CG ARG A 35 4.296 5.769 -13.816 1.00 0.00 C ATOM 479 CD ARG A 35 5.566 5.485 -14.602 1.00 0.00 C ATOM 480 NE ARG A 35 6.104 6.691 -15.227 1.00 0.00 N ATOM 481 CZ ARG A 35 7.321 6.766 -15.753 1.00 0.00 C ATOM 482 NH1 ARG A 35 8.123 5.710 -15.729 1.00 0.00 N ATOM 483 NH2 ARG A 35 7.739 7.898 -16.304 1.00 0.00 N ATOM 0 H ARG A 35 2.617 4.901 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 35 1.901 5.258 -12.965 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.686 4.583 -12.077 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.030 3.681 -13.428 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.470 5.938 -14.506 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.421 6.685 -13.238 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.316 5.056 -13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.358 4.740 -15.370 1.00 0.00 H new ATOM 0 HE ARG A 35 5.512 7.521 -15.261 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.805 4.838 -15.306 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.057 5.770 -16.134 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.125 8.712 -16.324 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.674 7.954 -16.708 1.00 0.00 H new ATOM 497 N ILE A 36 1.635 2.650 -13.133 1.00 0.00 N ATOM 498 CA ILE A 36 1.077 1.306 -13.050 1.00 0.00 C ATOM 499 C ILE A 36 1.703 0.387 -14.093 1.00 0.00 C ATOM 500 O ILE A 36 2.051 0.821 -15.192 1.00 0.00 O ATOM 501 CB ILE A 36 -0.451 1.318 -13.243 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.132 1.996 -12.052 1.00 0.00 C ATOM 503 CG2 ILE A 36 -0.973 -0.100 -13.423 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.189 1.128 -10.815 1.00 0.00 C ATOM 0 H ILE A 36 1.732 3.009 -14.083 1.00 0.00 H new ATOM 0 HA ILE A 36 1.306 0.930 -12.053 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.685 1.887 -14.143 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.600 2.917 -11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.146 2.278 -12.336 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.054 -0.075 -13.558 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.508 -0.550 -14.300 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.731 -0.692 -12.540 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.684 1.672 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.747 0.218 -11.035 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.177 0.867 -10.506 1.00 0.00 H new ATOM 516 N THR A 37 1.842 -0.888 -13.743 1.00 0.00 N ATOM 517 CA THR A 37 2.425 -1.870 -14.648 1.00 0.00 C ATOM 518 C THR A 37 1.389 -2.386 -15.641 1.00 0.00 C ATOM 519 O THR A 37 0.364 -2.955 -15.267 1.00 0.00 O ATOM 520 CB THR A 37 3.017 -3.065 -13.876 1.00 0.00 C ATOM 521 OG1 THR A 37 3.622 -2.610 -12.660 1.00 0.00 O ATOM 522 CG2 THR A 37 4.050 -3.796 -14.720 1.00 0.00 C ATOM 0 H THR A 37 1.558 -1.265 -12.838 1.00 0.00 H new ATOM 0 HA THR A 37 3.224 -1.364 -15.189 1.00 0.00 H new ATOM 0 HB THR A 37 2.207 -3.756 -13.642 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.930 -2.258 -12.062 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.454 -4.636 -14.154 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.580 -4.165 -15.631 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.858 -3.112 -14.980 1.00 0.00 H new ATOM 530 N PRO A 38 1.661 -2.183 -16.939 1.00 0.00 N ATOM 531 CA PRO A 38 0.764 -2.621 -18.013 1.00 0.00 C ATOM 532 C PRO A 38 0.730 -4.138 -18.157 1.00 0.00 C ATOM 533 O PRO A 38 1.504 -4.717 -18.918 1.00 0.00 O ATOM 534 CB PRO A 38 1.370 -1.979 -19.264 1.00 0.00 C ATOM 535 CG PRO A 38 2.810 -1.791 -18.934 1.00 0.00 C ATOM 536 CD PRO A 38 2.864 -1.511 -17.458 1.00 0.00 C ATOM 0 HA PRO A 38 -0.270 -2.330 -17.825 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.244 -2.619 -20.138 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.889 -1.028 -19.493 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.387 -2.682 -19.183 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.236 -0.965 -19.504 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.773 -1.909 -17.007 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.847 -0.441 -17.251 1.00 0.00 H new ATOM 544 N GLY A 39 -0.174 -4.778 -17.421 1.00 0.00 N ATOM 545 CA GLY A 39 -0.292 -6.223 -17.481 1.00 0.00 C ATOM 546 C GLY A 39 0.272 -6.903 -16.249 1.00 0.00 C ATOM 547 O GLY A 39 1.124 -7.784 -16.354 1.00 0.00 O ATOM 0 H GLY A 39 -0.827 -4.321 -16.784 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.342 -6.494 -17.593 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.229 -6.590 -18.365 1.00 0.00 H new ATOM 551 N SER A 40 -0.204 -6.491 -15.078 1.00 0.00 N ATOM 552 CA SER A 40 0.263 -7.063 -13.821 1.00 0.00 C ATOM 553 C SER A 40 -0.860 -7.092 -12.788 1.00 0.00 C ATOM 554 O SER A 40 -2.002 -6.744 -13.085 1.00 0.00 O ATOM 555 CB SER A 40 1.448 -6.262 -13.280 1.00 0.00 C ATOM 556 OG SER A 40 1.011 -5.215 -12.431 1.00 0.00 O ATOM 0 H SER A 40 -0.912 -5.764 -14.974 1.00 0.00 H new ATOM 0 HA SER A 40 0.584 -8.087 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.118 -6.924 -12.731 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.020 -5.847 -14.110 1.00 0.00 H new ATOM 0 HG SER A 40 0.428 -4.608 -12.933 1.00 0.00 H new ATOM 562 N LYS A 41 -0.525 -7.511 -11.572 1.00 0.00 N ATOM 563 CA LYS A 41 -1.502 -7.585 -10.492 1.00 0.00 C ATOM 564 C LYS A 41 -2.158 -6.228 -10.257 1.00 0.00 C ATOM 565 O LYS A 41 -3.272 -6.147 -9.741 1.00 0.00 O ATOM 566 CB LYS A 41 -0.833 -8.070 -9.204 1.00 0.00 C ATOM 567 CG LYS A 41 -0.034 -9.349 -9.378 1.00 0.00 C ATOM 568 CD LYS A 41 -0.893 -10.580 -9.145 1.00 0.00 C ATOM 569 CE LYS A 41 -0.275 -11.819 -9.775 1.00 0.00 C ATOM 570 NZ LYS A 41 -0.566 -11.905 -11.233 1.00 0.00 N ATOM 0 H LYS A 41 0.416 -7.805 -11.310 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.275 -8.296 -10.783 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.173 -7.287 -8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.599 -8.230 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.386 -9.383 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.805 -9.353 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.019 -10.740 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.887 -10.416 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.804 -11.805 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.657 -12.709 -9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.128 -12.763 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.595 -11.944 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.179 -11.068 -11.714 1.00 0.00 H new ATOM 584 N ALA A 42 -1.459 -5.164 -10.640 1.00 0.00 N ATOM 585 CA ALA A 42 -1.975 -3.811 -10.474 1.00 0.00 C ATOM 586 C ALA A 42 -2.930 -3.445 -11.605 1.00 0.00 C ATOM 587 O ALA A 42 -4.143 -3.376 -11.408 1.00 0.00 O ATOM 588 CB ALA A 42 -0.829 -2.813 -10.406 1.00 0.00 C ATOM 0 H ALA A 42 -0.534 -5.213 -11.067 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.531 -3.774 -9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.230 -1.807 -10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.186 -3.054 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.249 -2.862 -11.328 1.00 0.00 H new ATOM 594 N ALA A 43 -2.375 -3.212 -12.790 1.00 0.00 N ATOM 595 CA ALA A 43 -3.178 -2.854 -13.952 1.00 0.00 C ATOM 596 C ALA A 43 -4.301 -3.862 -14.175 1.00 0.00 C ATOM 597 O ALA A 43 -5.437 -3.486 -14.465 1.00 0.00 O ATOM 598 CB ALA A 43 -2.300 -2.758 -15.191 1.00 0.00 C ATOM 0 H ALA A 43 -1.372 -3.265 -12.970 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.630 -1.880 -13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.913 -2.490 -16.051 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.536 -1.995 -15.038 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.821 -3.720 -15.373 1.00 0.00 H new ATOM 604 N ALA A 44 -3.976 -5.143 -14.037 1.00 0.00 N ATOM 605 CA ALA A 44 -4.958 -6.204 -14.222 1.00 0.00 C ATOM 606 C ALA A 44 -6.082 -6.097 -13.196 1.00 0.00 C ATOM 607 O ALA A 44 -7.168 -6.640 -13.393 1.00 0.00 O ATOM 608 CB ALA A 44 -4.286 -7.566 -14.131 1.00 0.00 C ATOM 0 H ALA A 44 -3.040 -5.471 -13.798 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.395 -6.092 -15.214 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.031 -8.349 -14.271 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.523 -7.648 -14.905 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.822 -7.678 -13.151 1.00 0.00 H new ATOM 614 N ALA A 45 -5.812 -5.394 -12.101 1.00 0.00 N ATOM 615 CA ALA A 45 -6.801 -5.215 -11.046 1.00 0.00 C ATOM 616 C ALA A 45 -7.544 -3.893 -11.208 1.00 0.00 C ATOM 617 O ALA A 45 -7.995 -3.300 -10.229 1.00 0.00 O ATOM 618 CB ALA A 45 -6.134 -5.283 -9.680 1.00 0.00 C ATOM 0 H ALA A 45 -4.917 -4.939 -11.922 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.529 -6.023 -11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.885 -5.148 -8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.655 -6.254 -9.557 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.384 -4.496 -9.602 1.00 0.00 H new ATOM 624 N ASN A 46 -7.668 -3.438 -12.451 1.00 0.00 N ATOM 625 CA ASN A 46 -8.356 -2.185 -12.741 1.00 0.00 C ATOM 626 C ASN A 46 -7.707 -1.023 -11.995 1.00 0.00 C ATOM 627 O ASN A 46 -8.395 -0.169 -11.434 1.00 0.00 O ATOM 628 CB ASN A 46 -9.834 -2.290 -12.358 1.00 0.00 C ATOM 629 CG ASN A 46 -10.433 -3.633 -12.728 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.192 -4.154 -13.818 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.219 -4.201 -11.821 1.00 0.00 N ATOM 0 H ASN A 46 -7.301 -3.918 -13.273 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.278 -1.995 -13.812 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.941 -2.131 -11.285 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.393 -1.497 -12.855 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.651 -5.105 -12.014 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.391 -3.734 -10.931 1.00 0.00 H new ATOM 638 N LEU A 47 -6.379 -0.997 -11.992 1.00 0.00 N ATOM 639 CA LEU A 47 -5.636 0.061 -11.316 1.00 0.00 C ATOM 640 C LEU A 47 -5.090 1.071 -12.321 1.00 0.00 C ATOM 641 O LEU A 47 -4.812 0.729 -13.471 1.00 0.00 O ATOM 642 CB LEU A 47 -4.488 -0.536 -10.501 1.00 0.00 C ATOM 643 CG LEU A 47 -4.892 -1.430 -9.328 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.662 -1.896 -8.564 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.850 -0.695 -8.402 1.00 0.00 C ATOM 0 H LEU A 47 -5.794 -1.696 -12.450 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.320 0.579 -10.644 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.855 -1.116 -11.173 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.879 0.282 -10.116 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.403 -2.308 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.969 -2.531 -7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.012 -2.461 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.123 -1.030 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.127 -1.347 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.365 0.201 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.745 -0.412 -8.955 1.00 0.00 H new ATOM 657 N CYS A 48 -4.937 2.314 -11.878 1.00 0.00 N ATOM 658 CA CYS A 48 -4.423 3.374 -12.738 1.00 0.00 C ATOM 659 C CYS A 48 -3.768 4.475 -11.911 1.00 0.00 C ATOM 660 O CYS A 48 -4.176 4.767 -10.787 1.00 0.00 O ATOM 661 CB CYS A 48 -5.550 3.960 -13.590 1.00 0.00 C ATOM 662 SG CYS A 48 -5.838 3.077 -15.141 1.00 0.00 S ATOM 0 H CYS A 48 -5.161 2.612 -10.929 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.669 2.941 -13.395 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.471 3.958 -13.007 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.318 5.001 -13.815 1.00 0.00 H new ATOM 0 HG CYS A 48 -5.538 1.821 -14.988 1.00 0.00 H new ATOM 668 N PRO A 49 -2.726 5.101 -12.478 1.00 0.00 N ATOM 669 CA PRO A 49 -1.992 6.180 -11.810 1.00 0.00 C ATOM 670 C PRO A 49 -2.818 7.456 -11.689 1.00 0.00 C ATOM 671 O PRO A 49 -2.893 8.250 -12.626 1.00 0.00 O ATOM 672 CB PRO A 49 -0.786 6.408 -12.726 1.00 0.00 C ATOM 673 CG PRO A 49 -1.237 5.944 -14.068 1.00 0.00 C ATOM 674 CD PRO A 49 -2.185 4.805 -13.815 1.00 0.00 C ATOM 0 HA PRO A 49 -1.724 5.918 -10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.498 7.459 -12.747 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.083 5.846 -12.384 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.730 6.748 -14.614 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.391 5.620 -14.674 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.973 4.764 -14.567 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.672 3.843 -13.837 1.00 0.00 H new ATOM 682 N GLY A 50 -3.438 7.647 -10.528 1.00 0.00 N ATOM 683 CA GLY A 50 -4.250 8.828 -10.306 1.00 0.00 C ATOM 684 C GLY A 50 -5.219 8.657 -9.154 1.00 0.00 C ATOM 685 O GLY A 50 -5.704 9.639 -8.591 1.00 0.00 O ATOM 0 H GLY A 50 -3.392 7.004 -9.737 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.600 9.680 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.807 9.058 -11.214 1.00 0.00 H new ATOM 689 N ASP A 51 -5.504 7.408 -8.802 1.00 0.00 N ATOM 690 CA ASP A 51 -6.422 7.112 -7.709 1.00 0.00 C ATOM 691 C ASP A 51 -5.876 7.633 -6.384 1.00 0.00 C ATOM 692 O ASP A 51 -4.673 7.576 -6.130 1.00 0.00 O ATOM 693 CB ASP A 51 -6.668 5.605 -7.616 1.00 0.00 C ATOM 694 CG ASP A 51 -7.851 5.159 -8.453 1.00 0.00 C ATOM 695 OD1 ASP A 51 -7.980 5.637 -9.599 1.00 0.00 O ATOM 696 OD2 ASP A 51 -8.647 4.331 -7.963 1.00 0.00 O ATOM 0 H ASP A 51 -5.112 6.584 -9.258 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.367 7.615 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.774 5.073 -7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.839 5.331 -6.575 1.00 0.00 H new ATOM 701 N VAL A 52 -6.769 8.144 -5.541 1.00 0.00 N ATOM 702 CA VAL A 52 -6.377 8.676 -4.242 1.00 0.00 C ATOM 703 C VAL A 52 -6.537 7.627 -3.147 1.00 0.00 C ATOM 704 O VAL A 52 -7.647 7.364 -2.683 1.00 0.00 O ATOM 705 CB VAL A 52 -7.206 9.920 -3.871 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.781 10.461 -2.515 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.073 10.988 -4.946 1.00 0.00 C ATOM 0 H VAL A 52 -7.769 8.200 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.327 8.958 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.255 9.630 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.378 11.340 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.933 9.696 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.727 10.736 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.665 11.860 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.027 11.276 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.432 10.594 -5.897 1.00 0.00 H new ATOM 717 N ILE A 53 -5.422 7.030 -2.739 1.00 0.00 N ATOM 718 CA ILE A 53 -5.439 6.011 -1.698 1.00 0.00 C ATOM 719 C ILE A 53 -6.037 6.555 -0.405 1.00 0.00 C ATOM 720 O ILE A 53 -5.416 7.364 0.287 1.00 0.00 O ATOM 721 CB ILE A 53 -4.023 5.477 -1.410 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.355 5.016 -2.707 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.082 4.337 -0.404 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.663 3.580 -3.069 1.00 0.00 C ATOM 0 H ILE A 53 -4.496 7.235 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.059 5.194 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.426 6.283 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.677 5.664 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.276 5.135 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.074 3.970 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.523 4.695 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.692 3.528 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.156 3.323 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.316 2.922 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.739 3.460 -3.197 1.00 0.00 H new ATOM 736 N LEU A 54 -7.245 6.106 -0.083 1.00 0.00 N ATOM 737 CA LEU A 54 -7.928 6.547 1.128 1.00 0.00 C ATOM 738 C LEU A 54 -7.372 5.833 2.356 1.00 0.00 C ATOM 739 O LEU A 54 -7.006 6.469 3.344 1.00 0.00 O ATOM 740 CB LEU A 54 -9.431 6.291 1.012 1.00 0.00 C ATOM 741 CG LEU A 54 -10.215 7.276 0.143 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.652 6.810 -0.029 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.174 8.671 0.750 1.00 0.00 C ATOM 0 H LEU A 54 -7.772 5.437 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.757 7.617 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.579 5.288 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.859 6.301 2.014 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.748 7.315 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.194 7.523 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.662 5.831 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.132 6.741 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.737 9.359 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.616 8.648 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.139 9.007 0.820 1.00 0.00 H new ATOM 755 N ALA A 55 -7.312 4.507 2.286 1.00 0.00 N ATOM 756 CA ALA A 55 -6.797 3.707 3.390 1.00 0.00 C ATOM 757 C ALA A 55 -5.976 2.528 2.878 1.00 0.00 C ATOM 758 O ALA A 55 -6.060 2.164 1.705 1.00 0.00 O ATOM 759 CB ALA A 55 -7.941 3.215 4.264 1.00 0.00 C ATOM 0 H ALA A 55 -7.614 3.965 1.477 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.142 4.339 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.542 2.619 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.484 4.070 4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.618 2.604 3.667 1.00 0.00 H new ATOM 765 N ILE A 56 -5.183 1.936 3.764 1.00 0.00 N ATOM 766 CA ILE A 56 -4.348 0.798 3.401 1.00 0.00 C ATOM 767 C ILE A 56 -4.646 -0.408 4.285 1.00 0.00 C ATOM 768 O ILE A 56 -4.683 -0.298 5.511 1.00 0.00 O ATOM 769 CB ILE A 56 -2.850 1.141 3.509 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.454 2.141 2.420 1.00 0.00 C ATOM 771 CG2 ILE A 56 -2.008 -0.122 3.407 1.00 0.00 C ATOM 772 CD1 ILE A 56 -1.099 2.774 2.645 1.00 0.00 C ATOM 0 H ILE A 56 -5.101 2.226 4.739 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.583 0.553 2.365 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.666 1.599 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.453 1.634 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.208 2.926 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.952 0.137 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.275 -0.803 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.193 -0.606 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.884 3.471 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.101 3.310 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.334 1.998 2.668 1.00 0.00 H new ATOM 784 N ASP A 57 -4.857 -1.559 3.655 1.00 0.00 N ATOM 785 CA ASP A 57 -5.149 -2.787 4.385 1.00 0.00 C ATOM 786 C ASP A 57 -6.105 -2.517 5.542 1.00 0.00 C ATOM 787 O ASP A 57 -6.082 -3.215 6.555 1.00 0.00 O ATOM 788 CB ASP A 57 -3.856 -3.414 4.910 1.00 0.00 C ATOM 789 CG ASP A 57 -3.126 -4.211 3.847 1.00 0.00 C ATOM 790 OD1 ASP A 57 -3.803 -4.808 2.984 1.00 0.00 O ATOM 791 OD2 ASP A 57 -1.878 -4.239 3.879 1.00 0.00 O ATOM 0 H ASP A 57 -4.831 -1.667 2.641 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.628 -3.484 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.200 -2.628 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.087 -4.065 5.753 1.00 0.00 H new ATOM 796 N GLY A 58 -6.945 -1.498 5.385 1.00 0.00 N ATOM 797 CA GLY A 58 -7.896 -1.153 6.425 1.00 0.00 C ATOM 798 C GLY A 58 -7.315 -0.200 7.450 1.00 0.00 C ATOM 799 O GLY A 58 -7.595 -0.312 8.643 1.00 0.00 O ATOM 0 H GLY A 58 -6.983 -0.905 4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.777 -0.700 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.227 -2.063 6.926 1.00 0.00 H new ATOM 803 N PHE A 59 -6.500 0.741 6.984 1.00 0.00 N ATOM 804 CA PHE A 59 -5.875 1.717 7.869 1.00 0.00 C ATOM 805 C PHE A 59 -5.852 3.100 7.224 1.00 0.00 C ATOM 806 O PHE A 59 -5.086 3.351 6.294 1.00 0.00 O ATOM 807 CB PHE A 59 -4.450 1.282 8.218 1.00 0.00 C ATOM 808 CG PHE A 59 -4.391 0.226 9.285 1.00 0.00 C ATOM 809 CD1 PHE A 59 -4.543 0.562 10.620 1.00 0.00 C ATOM 810 CD2 PHE A 59 -4.184 -1.103 8.952 1.00 0.00 C ATOM 811 CE1 PHE A 59 -4.488 -0.408 11.604 1.00 0.00 C ATOM 812 CE2 PHE A 59 -4.128 -2.077 9.931 1.00 0.00 C ATOM 813 CZ PHE A 59 -4.282 -1.729 11.258 1.00 0.00 C ATOM 0 H PHE A 59 -6.257 0.848 5.999 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.466 1.771 8.783 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.963 0.906 7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.883 2.153 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.706 1.593 10.896 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.065 -1.381 7.915 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.606 -0.133 12.642 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.964 -3.109 9.658 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.241 -2.489 12.025 1.00 0.00 H new ATOM 823 N GLY A 60 -6.698 3.995 7.725 1.00 0.00 N ATOM 824 CA GLY A 60 -6.760 5.341 7.186 1.00 0.00 C ATOM 825 C GLY A 60 -5.386 5.941 6.965 1.00 0.00 C ATOM 826 O GLY A 60 -4.520 5.869 7.839 1.00 0.00 O ATOM 0 H GLY A 60 -7.342 3.812 8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.303 5.326 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.325 5.976 7.868 1.00 0.00 H new ATOM 830 N THR A 61 -5.182 6.533 5.793 1.00 0.00 N ATOM 831 CA THR A 61 -3.902 7.145 5.458 1.00 0.00 C ATOM 832 C THR A 61 -3.824 8.576 5.979 1.00 0.00 C ATOM 833 O THR A 61 -3.154 9.424 5.391 1.00 0.00 O ATOM 834 CB THR A 61 -3.664 7.151 3.936 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.554 8.078 3.304 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.870 5.763 3.350 1.00 0.00 C ATOM 0 H THR A 61 -5.887 6.602 5.059 1.00 0.00 H new ATOM 0 HA THR A 61 -3.129 6.544 5.937 1.00 0.00 H new ATOM 0 HB THR A 61 -2.633 7.456 3.754 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.447 7.680 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.696 5.793 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.171 5.066 3.811 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.891 5.434 3.544 1.00 0.00 H new ATOM 844 N GLU A 62 -4.513 8.836 7.086 1.00 0.00 N ATOM 845 CA GLU A 62 -4.520 10.165 7.685 1.00 0.00 C ATOM 846 C GLU A 62 -3.308 10.360 8.591 1.00 0.00 C ATOM 847 O GLU A 62 -2.825 11.479 8.768 1.00 0.00 O ATOM 848 CB GLU A 62 -5.807 10.382 8.483 1.00 0.00 C ATOM 849 CG GLU A 62 -5.620 11.250 9.716 1.00 0.00 C ATOM 850 CD GLU A 62 -6.881 12.001 10.097 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.488 12.633 9.208 1.00 0.00 O ATOM 852 OE2 GLU A 62 -7.261 11.957 11.286 1.00 0.00 O ATOM 0 H GLU A 62 -5.073 8.145 7.585 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.472 10.898 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.553 10.842 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.203 9.413 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.307 10.624 10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.817 11.964 9.535 1.00 0.00 H new ATOM 859 N SER A 63 -2.821 9.263 9.163 1.00 0.00 N ATOM 860 CA SER A 63 -1.668 9.313 10.055 1.00 0.00 C ATOM 861 C SER A 63 -0.524 8.464 9.510 1.00 0.00 C ATOM 862 O SER A 63 0.444 8.182 10.216 1.00 0.00 O ATOM 863 CB SER A 63 -2.057 8.829 11.453 1.00 0.00 C ATOM 864 OG SER A 63 -1.228 9.412 12.443 1.00 0.00 O ATOM 0 H SER A 63 -3.207 8.329 9.025 1.00 0.00 H new ATOM 0 HA SER A 63 -1.332 10.348 10.118 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.099 9.081 11.652 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.977 7.743 11.501 1.00 0.00 H new ATOM 0 HG SER A 63 -0.288 9.263 12.211 1.00 0.00 H new ATOM 870 N MET A 64 -0.642 8.060 8.250 1.00 0.00 N ATOM 871 CA MET A 64 0.383 7.244 7.609 1.00 0.00 C ATOM 872 C MET A 64 1.183 8.067 6.605 1.00 0.00 C ATOM 873 O MET A 64 0.684 8.418 5.535 1.00 0.00 O ATOM 874 CB MET A 64 -0.255 6.043 6.909 1.00 0.00 C ATOM 875 CG MET A 64 0.502 5.588 5.672 1.00 0.00 C ATOM 876 SD MET A 64 0.353 3.816 5.379 1.00 0.00 S ATOM 877 CE MET A 64 -1.391 3.564 5.702 1.00 0.00 C ATOM 0 H MET A 64 -1.437 8.284 7.652 1.00 0.00 H new ATOM 0 HA MET A 64 1.063 6.885 8.382 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.317 5.213 7.613 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.276 6.298 6.627 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.128 6.129 4.803 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.555 5.847 5.780 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.565 2.521 5.965 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.704 4.203 6.527 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.966 3.815 4.811 1.00 0.00 H new ATOM 887 N THR A 65 2.429 8.373 6.955 1.00 0.00 N ATOM 888 CA THR A 65 3.298 9.155 6.085 1.00 0.00 C ATOM 889 C THR A 65 3.837 8.307 4.940 1.00 0.00 C ATOM 890 O THR A 65 4.001 7.094 5.076 1.00 0.00 O ATOM 891 CB THR A 65 4.482 9.755 6.867 1.00 0.00 C ATOM 892 OG1 THR A 65 5.332 8.708 7.349 1.00 0.00 O ATOM 893 CG2 THR A 65 3.990 10.594 8.037 1.00 0.00 C ATOM 0 H THR A 65 2.859 8.091 7.836 1.00 0.00 H new ATOM 0 HA THR A 65 2.692 9.965 5.679 1.00 0.00 H new ATOM 0 HB THR A 65 5.045 10.398 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.083 9.098 7.843 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.844 11.007 8.573 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.368 11.408 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.405 9.969 8.712 1.00 0.00 H new ATOM 901 N HIS A 66 4.113 8.952 3.811 1.00 0.00 N ATOM 902 CA HIS A 66 4.636 8.255 2.641 1.00 0.00 C ATOM 903 C HIS A 66 5.604 7.151 3.053 1.00 0.00 C ATOM 904 O HIS A 66 5.427 5.989 2.690 1.00 0.00 O ATOM 905 CB HIS A 66 5.337 9.241 1.705 1.00 0.00 C ATOM 906 CG HIS A 66 5.268 8.849 0.261 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.091 8.512 -0.372 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.241 8.743 -0.674 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.342 8.214 -1.634 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.639 8.347 -1.843 1.00 0.00 N ATOM 0 H HIS A 66 3.983 9.955 3.681 1.00 0.00 H new ATOM 0 HA HIS A 66 3.797 7.800 2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.888 10.227 1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.383 9.328 2.000 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.294 8.934 -0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.611 7.913 -2.370 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.116 8.182 -2.729 1.00 0.00 H new ATOM 919 N ALA A 67 6.629 7.522 3.814 1.00 0.00 N ATOM 920 CA ALA A 67 7.624 6.563 4.277 1.00 0.00 C ATOM 921 C ALA A 67 6.961 5.363 4.944 1.00 0.00 C ATOM 922 O ALA A 67 7.402 4.226 4.776 1.00 0.00 O ATOM 923 CB ALA A 67 8.596 7.233 5.237 1.00 0.00 C ATOM 0 H ALA A 67 6.792 8.480 4.123 1.00 0.00 H new ATOM 0 HA ALA A 67 8.177 6.203 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.334 6.505 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.102 8.053 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.049 7.621 6.096 1.00 0.00 H new ATOM 929 N ASP A 68 5.900 5.623 5.700 1.00 0.00 N ATOM 930 CA ASP A 68 5.176 4.563 6.392 1.00 0.00 C ATOM 931 C ASP A 68 4.523 3.611 5.395 1.00 0.00 C ATOM 932 O ASP A 68 4.649 2.393 5.512 1.00 0.00 O ATOM 933 CB ASP A 68 4.114 5.162 7.316 1.00 0.00 C ATOM 934 CG ASP A 68 3.875 4.313 8.549 1.00 0.00 C ATOM 935 OD1 ASP A 68 3.263 3.232 8.416 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.300 4.729 9.647 1.00 0.00 O ATOM 0 H ASP A 68 5.522 6.559 5.849 1.00 0.00 H new ATOM 0 HA ASP A 68 5.891 3.998 6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.424 6.162 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.179 5.272 6.767 1.00 0.00 H new ATOM 941 N ALA A 69 3.824 4.176 4.416 1.00 0.00 N ATOM 942 CA ALA A 69 3.152 3.377 3.398 1.00 0.00 C ATOM 943 C ALA A 69 4.120 2.400 2.739 1.00 0.00 C ATOM 944 O ALA A 69 3.717 1.339 2.263 1.00 0.00 O ATOM 945 CB ALA A 69 2.517 4.281 2.352 1.00 0.00 C ATOM 0 H ALA A 69 3.708 5.183 4.306 1.00 0.00 H new ATOM 0 HA ALA A 69 2.368 2.797 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.019 3.671 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.787 4.934 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.289 4.886 1.877 1.00 0.00 H new ATOM 951 N GLN A 70 5.398 2.766 2.715 1.00 0.00 N ATOM 952 CA GLN A 70 6.422 1.921 2.112 1.00 0.00 C ATOM 953 C GLN A 70 6.666 0.675 2.956 1.00 0.00 C ATOM 954 O GLN A 70 7.071 -0.367 2.440 1.00 0.00 O ATOM 955 CB GLN A 70 7.727 2.704 1.949 1.00 0.00 C ATOM 956 CG GLN A 70 7.534 4.090 1.355 1.00 0.00 C ATOM 957 CD GLN A 70 7.678 4.104 -0.154 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.817 3.056 -0.785 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.646 5.295 -0.741 1.00 0.00 N ATOM 0 H GLN A 70 5.748 3.641 3.106 1.00 0.00 H new ATOM 0 HA GLN A 70 6.068 1.608 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.208 2.799 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.405 2.136 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.546 4.462 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.263 4.773 1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.529 6.138 -0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.739 5.367 -1.754 1.00 0.00 H new ATOM 968 N ASP A 71 6.416 0.788 4.256 1.00 0.00 N ATOM 969 CA ASP A 71 6.607 -0.330 5.172 1.00 0.00 C ATOM 970 C ASP A 71 5.310 -1.113 5.353 1.00 0.00 C ATOM 971 O ASP A 71 5.310 -2.216 5.900 1.00 0.00 O ATOM 972 CB ASP A 71 7.107 0.172 6.527 1.00 0.00 C ATOM 973 CG ASP A 71 8.008 -0.831 7.221 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.978 -1.296 6.586 1.00 0.00 O ATOM 975 OD2 ASP A 71 7.742 -1.151 8.398 1.00 0.00 O ATOM 0 H ASP A 71 6.080 1.643 4.699 1.00 0.00 H new ATOM 0 HA ASP A 71 7.355 -0.996 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.650 1.107 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.253 0.392 7.167 1.00 0.00 H new ATOM 980 N ARG A 72 4.207 -0.534 4.890 1.00 0.00 N ATOM 981 CA ARG A 72 2.903 -1.176 5.003 1.00 0.00 C ATOM 982 C ARG A 72 2.573 -1.962 3.737 1.00 0.00 C ATOM 983 O ARG A 72 1.937 -3.015 3.797 1.00 0.00 O ATOM 984 CB ARG A 72 1.817 -0.131 5.265 1.00 0.00 C ATOM 985 CG ARG A 72 1.575 0.139 6.741 1.00 0.00 C ATOM 986 CD ARG A 72 0.519 -0.793 7.312 1.00 0.00 C ATOM 987 NE ARG A 72 0.227 -0.497 8.712 1.00 0.00 N ATOM 988 CZ ARG A 72 0.976 -0.922 9.724 1.00 0.00 C ATOM 989 NH1 ARG A 72 2.054 -1.657 9.492 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.645 -0.612 10.971 1.00 0.00 N ATOM 0 H ARG A 72 4.190 0.378 4.433 1.00 0.00 H new ATOM 0 HA ARG A 72 2.939 -1.870 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.096 0.802 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.886 -0.465 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.507 0.015 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.260 1.174 6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.395 -0.708 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.860 -1.825 7.223 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.596 0.066 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.311 -1.898 8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.627 -1.982 10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.185 -0.047 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.220 -0.938 11.748 1.00 0.00 H new ATOM 1004 N ILE A 73 3.008 -1.443 2.594 1.00 0.00 N ATOM 1005 CA ILE A 73 2.759 -2.096 1.315 1.00 0.00 C ATOM 1006 C ILE A 73 3.663 -3.311 1.133 1.00 0.00 C ATOM 1007 O ILE A 73 3.226 -4.358 0.656 1.00 0.00 O ATOM 1008 CB ILE A 73 2.976 -1.128 0.137 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.886 -0.054 0.124 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.991 -1.891 -1.179 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.204 1.119 -0.776 1.00 0.00 C ATOM 0 H ILE A 73 3.535 -0.572 2.527 1.00 0.00 H new ATOM 0 HA ILE A 73 1.718 -2.418 1.323 1.00 0.00 H new ATOM 0 HB ILE A 73 3.942 -0.638 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.947 -0.505 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.733 0.309 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.145 -1.193 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.799 -2.622 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.039 -2.405 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.388 1.840 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.126 1.595 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.328 0.768 -1.801 1.00 0.00 H new ATOM 1023 N LYS A 74 4.926 -3.164 1.518 1.00 0.00 N ATOM 1024 CA LYS A 74 5.893 -4.250 1.401 1.00 0.00 C ATOM 1025 C LYS A 74 5.657 -5.306 2.476 1.00 0.00 C ATOM 1026 O LYS A 74 5.850 -6.499 2.240 1.00 0.00 O ATOM 1027 CB LYS A 74 7.319 -3.704 1.511 1.00 0.00 C ATOM 1028 CG LYS A 74 7.720 -3.334 2.929 1.00 0.00 C ATOM 1029 CD LYS A 74 9.203 -3.015 3.022 1.00 0.00 C ATOM 1030 CE LYS A 74 10.023 -4.260 3.322 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.459 -4.950 2.076 1.00 0.00 N ATOM 0 H LYS A 74 5.304 -2.303 1.914 1.00 0.00 H new ATOM 0 HA LYS A 74 5.763 -4.716 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.015 -4.450 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.413 -2.824 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.140 -2.472 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.481 -4.157 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.541 -2.573 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.368 -2.272 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.898 -3.985 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.433 -4.946 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.494 -5.047 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.023 -5.893 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.164 -4.392 1.249 1.00 0.00 H new ATOM 1045 N ALA A 75 5.237 -4.861 3.655 1.00 0.00 N ATOM 1046 CA ALA A 75 4.972 -5.769 4.764 1.00 0.00 C ATOM 1047 C ALA A 75 3.507 -6.193 4.788 1.00 0.00 C ATOM 1048 O ALA A 75 3.063 -6.874 5.712 1.00 0.00 O ATOM 1049 CB ALA A 75 5.356 -5.117 6.084 1.00 0.00 C ATOM 0 H ALA A 75 5.073 -3.877 3.867 1.00 0.00 H new ATOM 0 HA ALA A 75 5.580 -6.663 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.153 -5.807 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.418 -4.870 6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.773 -4.206 6.223 1.00 0.00 H new ATOM 1055 N ALA A 76 2.761 -5.785 3.767 1.00 0.00 N ATOM 1056 CA ALA A 76 1.347 -6.124 3.670 1.00 0.00 C ATOM 1057 C ALA A 76 1.136 -7.631 3.763 1.00 0.00 C ATOM 1058 O ALA A 76 2.088 -8.391 3.938 1.00 0.00 O ATOM 1059 CB ALA A 76 0.763 -5.586 2.372 1.00 0.00 C ATOM 0 H ALA A 76 3.113 -5.219 2.995 1.00 0.00 H new ATOM 0 HA ALA A 76 0.829 -5.659 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.294 -5.847 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.871 -4.502 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.292 -6.024 1.526 1.00 0.00 H new ATOM 1065 N SER A 77 -0.118 -8.057 3.646 1.00 0.00 N ATOM 1066 CA SER A 77 -0.454 -9.474 3.721 1.00 0.00 C ATOM 1067 C SER A 77 -0.672 -10.056 2.328 1.00 0.00 C ATOM 1068 O SER A 77 -0.627 -9.337 1.329 1.00 0.00 O ATOM 1069 CB SER A 77 -1.708 -9.678 4.574 1.00 0.00 C ATOM 1070 OG SER A 77 -1.409 -9.568 5.955 1.00 0.00 O ATOM 0 H SER A 77 -0.918 -7.441 3.499 1.00 0.00 H new ATOM 0 HA SER A 77 0.382 -9.996 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.461 -8.938 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.136 -10.659 4.368 1.00 0.00 H new ATOM 0 HG SER A 77 -2.227 -9.701 6.478 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.909 -11.361 2.269 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.132 -12.041 0.999 1.00 0.00 C ATOM 1078 C TYR A 78 -1.956 -11.172 0.053 1.00 0.00 C ATOM 1079 O TYR A 78 -1.855 -11.297 -1.167 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.841 -13.377 1.229 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.971 -13.299 2.231 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.736 -13.484 3.588 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -4.273 -13.040 1.821 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -3.765 -13.414 4.507 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -5.308 -12.967 2.733 1.00 0.00 C ATOM 1086 CZ TYR A 78 -5.049 -13.155 4.074 1.00 0.00 C ATOM 1087 OH TYR A 78 -6.078 -13.084 4.986 1.00 0.00 O ATOM 0 H TYR A 78 -0.952 -11.970 3.086 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.161 -12.227 0.540 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.234 -13.738 0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.112 -14.111 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.732 -13.686 3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.479 -12.893 0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.565 -13.561 5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.314 -12.764 2.397 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.918 -12.893 4.518 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.770 -10.292 0.627 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.612 -9.402 -0.164 1.00 0.00 C ATOM 1099 C GLN A 79 -3.580 -7.984 0.395 1.00 0.00 C ATOM 1100 O GLN A 79 -3.654 -7.781 1.607 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.051 -9.919 -0.194 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.765 -9.809 1.144 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.259 -10.037 1.029 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.728 -10.699 0.103 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -8.016 -9.487 1.971 1.00 0.00 N ATOM 0 H GLN A 79 -2.864 -10.176 1.636 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.220 -9.381 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.613 -9.361 -0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.047 -10.962 -0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.343 -10.536 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.584 -8.821 1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.585 -8.946 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.029 -9.605 1.945 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.469 -7.005 -0.497 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.427 -5.604 -0.092 1.00 0.00 C ATOM 1116 C LEU A 80 -4.737 -4.900 -0.431 1.00 0.00 C ATOM 1117 O LEU A 80 -5.025 -4.632 -1.598 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.260 -4.890 -0.776 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.054 -3.423 -0.397 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.483 -3.310 1.008 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.143 -2.734 -1.402 1.00 0.00 C ATOM 0 H LEU A 80 -3.407 -7.155 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.285 -5.568 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.344 -5.435 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.407 -4.948 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.023 -2.924 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.343 -2.259 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.173 -3.765 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.523 -3.825 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.008 -1.691 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.175 -3.234 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.593 -2.783 -2.394 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.525 -4.601 0.595 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.804 -3.926 0.407 1.00 0.00 C ATOM 1135 C CYS A 81 -6.640 -2.413 0.503 1.00 0.00 C ATOM 1136 O CYS A 81 -6.343 -1.877 1.571 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.817 -4.409 1.446 1.00 0.00 C ATOM 1138 SG CYS A 81 -9.542 -4.248 0.926 1.00 0.00 S ATOM 0 H CYS A 81 -5.301 -4.815 1.567 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.172 -4.170 -0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.614 -5.455 1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.673 -3.846 2.368 1.00 0.00 H new ATOM 0 HG CYS A 81 -10.322 -4.684 1.870 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.834 -1.730 -0.620 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.706 -0.277 -0.663 1.00 0.00 C ATOM 1146 C LEU A 82 -7.997 0.369 -1.158 1.00 0.00 C ATOM 1147 O LEU A 82 -8.516 0.014 -2.216 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.541 0.125 -1.570 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.195 -0.533 -1.265 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.289 -0.486 -2.485 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.528 0.145 -0.077 1.00 0.00 C ATOM 0 H LEU A 82 -7.080 -2.158 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.509 0.076 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.811 -0.108 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.416 1.206 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.372 -1.578 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.336 -0.959 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.763 -1.017 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.118 0.552 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.571 -0.336 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.364 1.198 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.171 0.059 0.799 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.509 1.321 -0.385 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.737 2.020 -0.745 1.00 0.00 C ATOM 1165 C LYS A 83 -9.431 3.271 -1.563 1.00 0.00 C ATOM 1166 O LYS A 83 -8.448 3.966 -1.307 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.519 2.400 0.514 1.00 0.00 C ATOM 1168 CG LYS A 83 -12.025 2.410 0.315 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.761 2.574 1.634 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.032 4.038 1.943 1.00 0.00 C ATOM 1171 NZ LYS A 83 -11.897 4.671 2.670 1.00 0.00 N ATOM 0 H LYS A 83 -8.093 1.626 0.495 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.343 1.349 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.271 1.699 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.198 3.387 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.298 3.222 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.336 1.481 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.704 2.029 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.171 2.135 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.214 4.578 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.939 4.121 2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.084 5.687 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.793 4.228 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.020 4.541 2.126 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.280 3.551 -2.546 1.00 0.00 N ATOM 1186 CA ILE A 84 -10.101 4.720 -3.399 1.00 0.00 C ATOM 1187 C ILE A 84 -11.230 5.725 -3.198 1.00 0.00 C ATOM 1188 O ILE A 84 -12.378 5.346 -2.964 1.00 0.00 O ATOM 1189 CB ILE A 84 -10.037 4.326 -4.886 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -11.234 3.448 -5.256 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.731 3.606 -5.188 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -11.689 3.618 -6.689 1.00 0.00 C ATOM 0 H ILE A 84 -11.098 2.985 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.155 5.179 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.076 5.233 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.973 2.403 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -12.065 3.681 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.701 3.334 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.892 4.263 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.663 2.705 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -12.541 2.965 -6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.981 4.654 -6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.873 3.357 -7.363 1.00 0.00 H new ATOM 1204 N ASP A 85 -10.897 7.007 -3.293 1.00 0.00 N ATOM 1205 CA ASP A 85 -11.884 8.068 -3.125 1.00 0.00 C ATOM 1206 C ASP A 85 -12.479 8.474 -4.470 1.00 0.00 C ATOM 1207 O ASP A 85 -12.685 9.659 -4.736 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.248 9.282 -2.447 1.00 0.00 C ATOM 1209 CG ASP A 85 -12.270 10.155 -1.745 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.037 9.620 -0.917 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -12.304 11.371 -2.025 1.00 0.00 O ATOM 0 H ASP A 85 -9.951 7.337 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.687 7.688 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.506 8.943 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.719 9.875 -3.193 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.751 7.485 -5.314 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.320 7.740 -6.632 1.00 0.00 C ATOM 1218 C ARG A 86 -12.879 9.102 -7.160 1.00 0.00 C ATOM 1219 O ARG A 86 -13.683 9.855 -7.709 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.847 7.673 -6.574 1.00 0.00 C ATOM 1221 CG ARG A 86 -15.448 8.474 -5.430 1.00 0.00 C ATOM 1222 CD ARG A 86 -15.606 9.940 -5.799 1.00 0.00 C ATOM 1223 NE ARG A 86 -16.464 10.653 -4.857 1.00 0.00 N ATOM 1224 CZ ARG A 86 -17.133 11.759 -5.163 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -17.042 12.277 -6.381 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -17.894 12.350 -4.251 1.00 0.00 N ATOM 0 H ARG A 86 -12.587 6.499 -5.109 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.956 6.970 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.255 8.039 -7.516 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.153 6.631 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -16.420 8.058 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.812 8.386 -4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.625 10.414 -5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -16.026 10.018 -6.802 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.555 10.281 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.457 11.826 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.557 13.126 -6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.966 11.955 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.407 13.199 -4.488 1.00 0.00 H new