USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 68 MET CE :methyl -142:sc= -0.129 (180deg=-0.933) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.426 K(o=-0.56,f=-4.1!) USER MOD Set 2.1: A 7 SER OG : rot 155:sc= -3.97! USER MOD Set 2.2: A 56 GLN : amide:sc= -7.16! C(o=-11!,f=-23!) USER MOD Single : A 5 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0938) USER MOD Single : A 6 SER OG : rot 180:sc= -1.44 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 76:sc= -1.01 USER MOD Single : A 21 MET CE :methyl -147:sc= -5.11 (180deg=-11!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0361 USER MOD Single : A 32 GLN : amide:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 40 SER OG : rot 28:sc= 0.107 USER MOD Single : A 41 SER OG : rot -150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -2.35! C(o=-2.3!,f=-1.9!) USER MOD Single : A 57 CYS SG : rot -25:sc= 0.553 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00576) USER MOD Single : A 66 THR OG1 : rot -60:sc= -0.972 USER MOD Single : A 74 THR OG1 : rot -28:sc= -0.629 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.1) USER MOD Single : A 82 SER OG : rot 41:sc= 0.125 USER MOD Single : A 83 MET CE :methyl 156:sc= -4.91! (180deg=-10.1!) USER MOD Single : A 89 ASN : amide:sc= -0.66 K(o=-0.66,f=-3.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 7.426 -0.078 0.464 1.00 0.00 N ATOM 66 CA LYS A 5 6.373 -1.046 0.717 1.00 0.00 C ATOM 67 C LYS A 5 5.683 -1.399 -0.602 1.00 0.00 C ATOM 68 O LYS A 5 5.933 -0.766 -1.627 1.00 0.00 O ATOM 69 CB LYS A 5 5.415 -0.528 1.792 1.00 0.00 C ATOM 70 CG LYS A 5 6.096 -0.493 3.162 1.00 0.00 C ATOM 71 CD LYS A 5 5.264 -1.240 4.207 1.00 0.00 C ATOM 72 CE LYS A 5 3.929 -0.533 4.452 1.00 0.00 C ATOM 73 NZ LYS A 5 4.115 0.626 5.352 1.00 0.00 N ATOM 0 HA LYS A 5 6.793 -1.970 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.072 0.472 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.533 -1.167 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.086 -0.943 3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.237 0.541 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.083 -2.261 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.821 -1.306 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.507 -0.201 3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.216 -1.231 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.538 0.497 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.118 0.701 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.820 1.496 4.864 1.00 0.00 H new ATOM 87 N SER A 6 4.828 -2.409 -0.535 1.00 0.00 N ATOM 88 CA SER A 6 4.100 -2.853 -1.711 1.00 0.00 C ATOM 89 C SER A 6 2.632 -3.095 -1.358 1.00 0.00 C ATOM 90 O SER A 6 2.259 -3.073 -0.185 1.00 0.00 O ATOM 91 CB SER A 6 4.722 -4.124 -2.295 1.00 0.00 C ATOM 92 OG SER A 6 3.868 -4.744 -3.253 1.00 0.00 O ATOM 0 H SER A 6 4.623 -2.933 0.316 1.00 0.00 H new ATOM 0 HA SER A 6 4.160 -2.070 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.675 -3.879 -2.764 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.934 -4.827 -1.490 1.00 0.00 H new ATOM 0 HG SER A 6 4.301 -5.550 -3.604 1.00 0.00 H new ATOM 98 N SER A 7 1.837 -3.321 -2.393 1.00 0.00 N ATOM 99 CA SER A 7 0.417 -3.566 -2.207 1.00 0.00 C ATOM 100 C SER A 7 -0.006 -4.815 -2.983 1.00 0.00 C ATOM 101 O SER A 7 0.277 -4.934 -4.174 1.00 0.00 O ATOM 102 CB SER A 7 -0.413 -2.360 -2.650 1.00 0.00 C ATOM 103 OG SER A 7 -1.790 -2.692 -2.818 1.00 0.00 O ATOM 0 H SER A 7 2.149 -3.340 -3.364 1.00 0.00 H new ATOM 0 HA SER A 7 0.235 -3.728 -1.145 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.319 -1.564 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.017 -1.972 -3.588 1.00 0.00 H new ATOM 0 HG SER A 7 -2.337 -1.887 -2.704 1.00 0.00 H new ATOM 109 N ILE A 8 -0.673 -5.715 -2.276 1.00 0.00 N ATOM 110 CA ILE A 8 -1.137 -6.950 -2.884 1.00 0.00 C ATOM 111 C ILE A 8 -2.663 -7.016 -2.799 1.00 0.00 C ATOM 112 O ILE A 8 -3.224 -7.076 -1.707 1.00 0.00 O ATOM 113 CB ILE A 8 -0.434 -8.155 -2.254 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.081 -7.943 -2.207 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.811 -9.450 -2.975 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.623 -7.567 -3.588 1.00 0.00 C ATOM 0 H ILE A 8 -0.903 -5.613 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.876 -6.974 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.777 -8.250 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.320 -7.156 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.569 -8.852 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.297 -10.290 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.888 -9.602 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.516 -9.383 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.702 -7.422 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.403 -8.367 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.151 -6.644 -3.925 1.00 0.00 H new ATOM 128 N LEU A 9 -3.290 -7.000 -3.967 1.00 0.00 N ATOM 129 CA LEU A 9 -4.740 -7.056 -4.037 1.00 0.00 C ATOM 130 C LEU A 9 -5.184 -8.515 -4.163 1.00 0.00 C ATOM 131 O LEU A 9 -5.040 -9.122 -5.224 1.00 0.00 O ATOM 132 CB LEU A 9 -5.257 -6.156 -5.161 1.00 0.00 C ATOM 133 CG LEU A 9 -6.776 -6.012 -5.260 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.312 -5.087 -4.166 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.193 -5.548 -6.658 1.00 0.00 C ATOM 0 H LEU A 9 -2.820 -6.949 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.181 -6.666 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.826 -5.163 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.886 -6.544 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.223 -6.993 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.395 -5.002 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.063 -5.498 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.860 -4.100 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.278 -5.454 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.736 -4.582 -6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.862 -6.278 -7.397 1.00 0.00 H new ATOM 147 N LEU A 10 -5.716 -9.035 -3.067 1.00 0.00 N ATOM 148 CA LEU A 10 -6.182 -10.411 -3.042 1.00 0.00 C ATOM 149 C LEU A 10 -7.666 -10.449 -3.411 1.00 0.00 C ATOM 150 O LEU A 10 -8.414 -9.526 -3.090 1.00 0.00 O ATOM 151 CB LEU A 10 -5.867 -11.058 -1.692 1.00 0.00 C ATOM 152 CG LEU A 10 -4.434 -11.557 -1.504 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.444 -10.389 -1.492 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.314 -12.422 -0.249 1.00 0.00 C ATOM 0 H LEU A 10 -5.835 -8.528 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.653 -11.006 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.085 -10.335 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.545 -11.899 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.178 -12.188 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.432 -10.771 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.505 -9.850 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.689 -9.713 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.285 -12.763 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.597 -11.836 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.975 -13.284 -0.337 1.00 0.00 H new ATOM 166 N ASP A 11 -8.049 -11.526 -4.082 1.00 0.00 N ATOM 167 CA ASP A 11 -9.430 -11.695 -4.499 1.00 0.00 C ATOM 168 C ASP A 11 -9.961 -13.026 -3.959 1.00 0.00 C ATOM 169 O ASP A 11 -9.795 -14.066 -4.593 1.00 0.00 O ATOM 170 CB ASP A 11 -9.546 -11.725 -6.025 1.00 0.00 C ATOM 171 CG ASP A 11 -10.916 -12.143 -6.562 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.771 -12.637 -5.813 1.00 0.00 O ATOM 173 OD2 ASP A 11 -11.092 -11.941 -7.824 1.00 0.00 O ATOM 0 H ASP A 11 -7.427 -12.290 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.005 -10.854 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.308 -10.734 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.794 -12.410 -6.418 1.00 0.00 H new ATOM 178 N VAL A 12 -10.589 -12.947 -2.796 1.00 0.00 N ATOM 179 CA VAL A 12 -11.144 -14.132 -2.164 1.00 0.00 C ATOM 180 C VAL A 12 -12.600 -14.304 -2.604 1.00 0.00 C ATOM 181 O VAL A 12 -13.287 -13.323 -2.886 1.00 0.00 O ATOM 182 CB VAL A 12 -10.988 -14.037 -0.645 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.544 -15.285 0.043 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.526 -13.804 -0.258 1.00 0.00 C ATOM 0 H VAL A 12 -10.726 -12.081 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.600 -15.023 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.567 -13.180 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.420 -15.191 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.603 -15.389 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.005 -16.165 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.443 -13.740 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.917 -14.632 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.175 -12.873 -0.704 1.00 0.00 H new ATOM 194 N LYS A 13 -13.026 -15.558 -2.652 1.00 0.00 N ATOM 195 CA LYS A 13 -14.387 -15.871 -3.053 1.00 0.00 C ATOM 196 C LYS A 13 -15.144 -16.460 -1.860 1.00 0.00 C ATOM 197 O LYS A 13 -14.635 -17.344 -1.174 1.00 0.00 O ATOM 198 CB LYS A 13 -14.386 -16.774 -4.288 1.00 0.00 C ATOM 199 CG LYS A 13 -15.406 -16.291 -5.321 1.00 0.00 C ATOM 200 CD LYS A 13 -14.717 -15.891 -6.626 1.00 0.00 C ATOM 201 CE LYS A 13 -15.740 -15.687 -7.745 1.00 0.00 C ATOM 202 NZ LYS A 13 -15.094 -15.083 -8.933 1.00 0.00 N ATOM 0 H LYS A 13 -12.453 -16.369 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.915 -14.965 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.391 -16.787 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.617 -17.798 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.133 -17.080 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.958 -15.440 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.149 -14.973 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.004 -16.662 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.189 -16.643 -8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.547 -15.043 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.802 -14.951 -9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.686 -14.162 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.340 -15.712 -9.275 1.00 0.00 H new ATOM 216 N PRO A 14 -16.378 -15.930 -1.645 1.00 0.00 N ATOM 217 CA PRO A 14 -17.209 -16.394 -0.547 1.00 0.00 C ATOM 218 C PRO A 14 -17.813 -17.764 -0.858 1.00 0.00 C ATOM 219 O PRO A 14 -18.114 -18.067 -2.011 1.00 0.00 O ATOM 220 CB PRO A 14 -18.259 -15.309 -0.365 1.00 0.00 C ATOM 221 CG PRO A 14 -18.262 -14.510 -1.658 1.00 0.00 C ATOM 222 CD PRO A 14 -17.012 -14.881 -2.438 1.00 0.00 C ATOM 0 HA PRO A 14 -16.646 -16.544 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.240 -15.743 -0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.019 -14.673 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.156 -14.731 -2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.276 -13.441 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.260 -15.236 -3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.352 -14.022 -2.559 1.00 0.00 H new ATOM 230 N TRP A 15 -17.972 -18.558 0.192 1.00 0.00 N ATOM 231 CA TRP A 15 -18.535 -19.888 0.046 1.00 0.00 C ATOM 232 C TRP A 15 -19.911 -19.751 -0.609 1.00 0.00 C ATOM 233 O TRP A 15 -20.374 -20.668 -1.287 1.00 0.00 O ATOM 234 CB TRP A 15 -18.583 -20.615 1.392 1.00 0.00 C ATOM 235 CG TRP A 15 -17.496 -21.678 1.564 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.707 -21.886 2.627 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.108 -22.676 0.597 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.843 -22.941 2.416 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.095 -23.437 1.143 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.598 -22.928 -0.698 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.485 -24.500 0.465 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.978 -23.993 -1.360 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.956 -24.769 -0.825 1.00 0.00 C ATOM 0 H TRP A 15 -17.720 -18.304 1.147 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.905 -20.504 -0.595 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.490 -19.882 2.193 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.559 -21.087 1.504 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.743 -21.302 3.534 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.147 -23.292 3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.390 -22.345 -1.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.693 -25.081 0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.317 -24.229 -2.358 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.528 -25.575 -1.402 1.00 0.00 H new ATOM 254 N ASP A 16 -20.526 -18.600 -0.382 1.00 0.00 N ATOM 255 CA ASP A 16 -21.841 -18.331 -0.942 1.00 0.00 C ATOM 256 C ASP A 16 -22.440 -17.102 -0.256 1.00 0.00 C ATOM 257 O ASP A 16 -21.757 -16.414 0.501 1.00 0.00 O ATOM 258 CB ASP A 16 -22.788 -19.509 -0.713 1.00 0.00 C ATOM 259 CG ASP A 16 -23.393 -20.110 -1.983 1.00 0.00 C ATOM 260 OD1 ASP A 16 -22.537 -20.451 -2.886 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.620 -20.245 -2.104 1.00 0.00 O ATOM 0 H ASP A 16 -20.139 -17.843 0.182 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.725 -18.165 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.248 -20.292 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.599 -19.182 -0.062 1.00 0.00 H new ATOM 266 N ASP A 17 -23.710 -16.862 -0.546 1.00 0.00 N ATOM 267 CA ASP A 17 -24.409 -15.729 0.034 1.00 0.00 C ATOM 268 C ASP A 17 -24.407 -15.858 1.559 1.00 0.00 C ATOM 269 O ASP A 17 -24.539 -14.863 2.270 1.00 0.00 O ATOM 270 CB ASP A 17 -25.865 -15.681 -0.434 1.00 0.00 C ATOM 271 CG ASP A 17 -26.869 -16.347 0.508 1.00 0.00 C ATOM 272 OD1 ASP A 17 -27.244 -15.622 1.508 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.274 -17.501 0.299 1.00 0.00 O ATOM 0 H ASP A 17 -24.273 -17.434 -1.176 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.898 -14.820 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -26.153 -14.639 -0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.933 -16.160 -1.411 1.00 0.00 H new ATOM 278 N GLU A 18 -24.255 -17.092 2.015 1.00 0.00 N ATOM 279 CA GLU A 18 -24.234 -17.365 3.442 1.00 0.00 C ATOM 280 C GLU A 18 -22.995 -16.738 4.084 1.00 0.00 C ATOM 281 O GLU A 18 -23.066 -16.203 5.190 1.00 0.00 O ATOM 282 CB GLU A 18 -24.290 -18.870 3.714 1.00 0.00 C ATOM 283 CG GLU A 18 -23.019 -19.563 3.221 1.00 0.00 C ATOM 284 CD GLU A 18 -23.142 -21.083 3.343 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.208 -21.645 3.049 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.080 -21.685 3.759 1.00 0.00 O ATOM 0 H GLU A 18 -24.145 -17.914 1.422 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.119 -16.915 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.413 -19.046 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.159 -19.301 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.832 -19.292 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.163 -19.216 3.800 1.00 0.00 H new ATOM 293 N THR A 19 -21.886 -16.824 3.363 1.00 0.00 N ATOM 294 CA THR A 19 -20.633 -16.272 3.847 1.00 0.00 C ATOM 295 C THR A 19 -20.751 -14.757 4.024 1.00 0.00 C ATOM 296 O THR A 19 -20.615 -14.003 3.062 1.00 0.00 O ATOM 297 CB THR A 19 -19.526 -16.685 2.876 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.288 -18.056 3.185 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.194 -15.998 3.178 1.00 0.00 C ATOM 0 H THR A 19 -21.830 -17.268 2.447 1.00 0.00 H new ATOM 0 HA THR A 19 -20.383 -16.665 4.832 1.00 0.00 H new ATOM 0 HB THR A 19 -19.831 -16.449 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 19 -20.010 -18.605 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.444 -16.327 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.317 -14.917 3.105 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.870 -16.259 4.185 1.00 0.00 H new ATOM 307 N ASP A 20 -21.002 -14.355 5.262 1.00 0.00 N ATOM 308 CA ASP A 20 -21.139 -12.944 5.577 1.00 0.00 C ATOM 309 C ASP A 20 -20.066 -12.151 4.828 1.00 0.00 C ATOM 310 O ASP A 20 -19.015 -12.692 4.487 1.00 0.00 O ATOM 311 CB ASP A 20 -20.954 -12.692 7.075 1.00 0.00 C ATOM 312 CG ASP A 20 -22.000 -11.776 7.712 1.00 0.00 C ATOM 313 OD1 ASP A 20 -21.843 -10.518 7.470 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.919 -12.239 8.404 1.00 0.00 O ATOM 0 H ASP A 20 -21.114 -14.983 6.058 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.139 -12.629 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.969 -13.651 7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.967 -12.258 7.236 1.00 0.00 H new ATOM 319 N MET A 21 -20.368 -10.882 4.595 1.00 0.00 N ATOM 320 CA MET A 21 -19.442 -10.010 3.892 1.00 0.00 C ATOM 321 C MET A 21 -18.817 -8.990 4.848 1.00 0.00 C ATOM 322 O MET A 21 -17.635 -8.672 4.734 1.00 0.00 O ATOM 323 CB MET A 21 -20.181 -9.274 2.773 1.00 0.00 C ATOM 324 CG MET A 21 -20.405 -10.192 1.569 1.00 0.00 C ATOM 325 SD MET A 21 -19.802 -9.408 0.083 1.00 0.00 S ATOM 326 CE MET A 21 -19.108 -10.823 -0.755 1.00 0.00 C ATOM 0 H MET A 21 -21.240 -10.437 4.880 1.00 0.00 H new ATOM 0 HA MET A 21 -18.645 -10.622 3.471 1.00 0.00 H new ATOM 0 HB2 MET A 21 -21.140 -8.912 3.142 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.607 -8.400 2.467 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.891 -11.141 1.724 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.466 -10.418 1.466 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.238 -10.513 -1.334 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.808 -11.570 -0.020 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.854 -11.252 -1.424 1.00 0.00 H new ATOM 336 N ALA A 22 -19.640 -8.508 5.766 1.00 0.00 N ATOM 337 CA ALA A 22 -19.183 -7.530 6.741 1.00 0.00 C ATOM 338 C ALA A 22 -18.069 -8.146 7.590 1.00 0.00 C ATOM 339 O ALA A 22 -16.939 -7.662 7.582 1.00 0.00 O ATOM 340 CB ALA A 22 -20.369 -7.060 7.586 1.00 0.00 C ATOM 0 H ALA A 22 -20.620 -8.775 5.857 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.770 -6.653 6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.027 -6.327 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.119 -6.605 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.807 -7.913 8.105 1.00 0.00 H new ATOM 346 N LYS A 23 -18.427 -9.205 8.302 1.00 0.00 N ATOM 347 CA LYS A 23 -17.472 -9.891 9.154 1.00 0.00 C ATOM 348 C LYS A 23 -16.251 -10.293 8.324 1.00 0.00 C ATOM 349 O LYS A 23 -15.127 -9.911 8.641 1.00 0.00 O ATOM 350 CB LYS A 23 -18.141 -11.065 9.873 1.00 0.00 C ATOM 351 CG LYS A 23 -18.861 -10.595 11.138 1.00 0.00 C ATOM 352 CD LYS A 23 -18.283 -11.274 12.381 1.00 0.00 C ATOM 353 CE LYS A 23 -18.637 -10.491 13.647 1.00 0.00 C ATOM 354 NZ LYS A 23 -17.524 -9.592 14.028 1.00 0.00 N ATOM 0 H LYS A 23 -19.366 -9.604 8.306 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.118 -9.226 9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.853 -11.548 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.391 -11.812 10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.768 -9.513 11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.925 -10.817 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.669 -12.290 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.200 -11.351 12.287 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.543 -9.908 13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.849 -11.183 14.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.780 -9.068 14.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.668 -10.155 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.340 -8.920 13.256 1.00 0.00 H new ATOM 368 N LEU A 24 -16.515 -11.061 7.276 1.00 0.00 N ATOM 369 CA LEU A 24 -15.452 -11.519 6.398 1.00 0.00 C ATOM 370 C LEU A 24 -14.560 -10.335 6.022 1.00 0.00 C ATOM 371 O LEU A 24 -13.343 -10.393 6.189 1.00 0.00 O ATOM 372 CB LEU A 24 -16.035 -12.257 5.192 1.00 0.00 C ATOM 373 CG LEU A 24 -15.256 -13.486 4.716 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.995 -14.198 3.582 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.827 -13.109 4.321 1.00 0.00 C ATOM 0 H LEU A 24 -17.449 -11.377 7.016 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.820 -12.243 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.050 -12.568 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -16.109 -11.554 4.362 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.186 -14.189 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.420 -15.067 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.976 -14.520 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.117 -13.515 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.295 -14.000 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.854 -12.378 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.313 -12.681 5.181 1.00 0.00 H new ATOM 387 N GLU A 25 -15.201 -9.288 5.522 1.00 0.00 N ATOM 388 CA GLU A 25 -14.480 -8.092 5.121 1.00 0.00 C ATOM 389 C GLU A 25 -13.756 -7.481 6.322 1.00 0.00 C ATOM 390 O GLU A 25 -12.538 -7.315 6.298 1.00 0.00 O ATOM 391 CB GLU A 25 -15.423 -7.075 4.474 1.00 0.00 C ATOM 392 CG GLU A 25 -14.653 -5.848 3.982 1.00 0.00 C ATOM 393 CD GLU A 25 -15.515 -4.587 4.074 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.502 -4.540 3.246 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.237 -3.706 4.901 1.00 0.00 O ATOM 0 H GLU A 25 -16.211 -9.244 5.386 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.735 -8.373 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.946 -7.539 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.182 -6.768 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.749 -5.719 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.337 -6.002 2.950 1.00 0.00 H new ATOM 402 N GLU A 26 -14.537 -7.161 7.344 1.00 0.00 N ATOM 403 CA GLU A 26 -13.985 -6.572 8.552 1.00 0.00 C ATOM 404 C GLU A 26 -12.808 -7.408 9.061 1.00 0.00 C ATOM 405 O GLU A 26 -11.701 -6.895 9.219 1.00 0.00 O ATOM 406 CB GLU A 26 -15.060 -6.426 9.631 1.00 0.00 C ATOM 407 CG GLU A 26 -16.028 -5.292 9.290 1.00 0.00 C ATOM 408 CD GLU A 26 -15.552 -3.966 9.887 1.00 0.00 C ATOM 409 OE1 GLU A 26 -14.546 -3.405 9.426 1.00 0.00 O ATOM 410 OE2 GLU A 26 -16.268 -3.518 10.861 1.00 0.00 O ATOM 0 H GLU A 26 -15.548 -7.299 7.360 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.619 -5.574 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.611 -7.362 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.589 -6.230 10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.115 -5.197 8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.021 -5.530 9.670 1.00 0.00 H new ATOM 417 N CYS A 27 -13.087 -8.680 9.301 1.00 0.00 N ATOM 418 CA CYS A 27 -12.065 -9.591 9.788 1.00 0.00 C ATOM 419 C CYS A 27 -10.745 -9.249 9.094 1.00 0.00 C ATOM 420 O CYS A 27 -9.815 -8.756 9.729 1.00 0.00 O ATOM 421 CB CYS A 27 -12.461 -11.053 9.571 1.00 0.00 C ATOM 422 SG CYS A 27 -12.861 -11.838 11.176 1.00 0.00 S ATOM 0 H CYS A 27 -14.006 -9.102 9.167 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.950 -9.469 10.865 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.321 -11.110 8.904 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.646 -11.591 9.087 1.00 0.00 H new ATOM 0 HG CYS A 27 -13.198 -13.078 10.980 1.00 0.00 H new ATOM 428 N VAL A 28 -10.707 -9.523 7.798 1.00 0.00 N ATOM 429 CA VAL A 28 -9.517 -9.250 7.010 1.00 0.00 C ATOM 430 C VAL A 28 -8.907 -7.920 7.460 1.00 0.00 C ATOM 431 O VAL A 28 -7.696 -7.820 7.644 1.00 0.00 O ATOM 432 CB VAL A 28 -9.859 -9.278 5.519 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.727 -8.674 4.686 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.182 -10.699 5.056 1.00 0.00 C ATOM 0 H VAL A 28 -11.481 -9.931 7.274 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.766 -10.023 7.171 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.749 -8.667 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.995 -8.706 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.565 -7.639 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.813 -9.246 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.421 -10.690 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.319 -11.343 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.036 -11.079 5.617 1.00 0.00 H new ATOM 444 N ARG A 29 -9.775 -6.934 7.624 1.00 0.00 N ATOM 445 CA ARG A 29 -9.337 -5.614 8.049 1.00 0.00 C ATOM 446 C ARG A 29 -8.785 -5.672 9.475 1.00 0.00 C ATOM 447 O ARG A 29 -7.679 -5.203 9.734 1.00 0.00 O ATOM 448 CB ARG A 29 -10.489 -4.609 7.995 1.00 0.00 C ATOM 449 CG ARG A 29 -10.003 -3.246 7.498 1.00 0.00 C ATOM 450 CD ARG A 29 -10.657 -2.109 8.286 1.00 0.00 C ATOM 451 NE ARG A 29 -9.914 -1.871 9.543 1.00 0.00 N ATOM 452 CZ ARG A 29 -10.188 -0.880 10.402 1.00 0.00 C ATOM 453 NH1 ARG A 29 -11.190 -0.027 10.144 1.00 0.00 N ATOM 454 NH2 ARG A 29 -9.459 -0.739 11.518 1.00 0.00 N ATOM 0 H ARG A 29 -10.780 -7.021 7.471 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.553 -5.288 7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.272 -4.983 7.335 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.931 -4.503 8.986 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.919 -3.185 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.234 -3.138 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.671 -1.200 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.694 -2.360 8.509 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.145 -2.501 9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.744 -0.133 9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.399 0.727 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.695 -1.386 11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.668 0.016 12.172 1.00 0.00 H new ATOM 468 N SER A 30 -9.581 -6.252 10.360 1.00 0.00 N ATOM 469 CA SER A 30 -9.186 -6.377 11.753 1.00 0.00 C ATOM 470 C SER A 30 -7.694 -6.700 11.846 1.00 0.00 C ATOM 471 O SER A 30 -6.956 -6.039 12.575 1.00 0.00 O ATOM 472 CB SER A 30 -10.008 -7.454 12.464 1.00 0.00 C ATOM 473 OG SER A 30 -9.181 -8.467 13.034 1.00 0.00 O ATOM 0 H SER A 30 -10.498 -6.641 10.140 1.00 0.00 H new ATOM 0 HA SER A 30 -9.377 -5.426 12.250 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.609 -6.993 13.248 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.701 -7.908 11.756 1.00 0.00 H new ATOM 0 HG SER A 30 -9.742 -9.135 13.480 1.00 0.00 H new ATOM 479 N ILE A 31 -7.293 -7.717 11.097 1.00 0.00 N ATOM 480 CA ILE A 31 -5.901 -8.136 11.087 1.00 0.00 C ATOM 481 C ILE A 31 -5.001 -6.900 11.120 1.00 0.00 C ATOM 482 O ILE A 31 -5.088 -6.039 10.246 1.00 0.00 O ATOM 483 CB ILE A 31 -5.629 -9.061 9.899 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.314 -10.416 10.092 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.127 -9.209 9.650 1.00 0.00 C ATOM 486 CD1 ILE A 31 -7.236 -10.737 8.914 1.00 0.00 C ATOM 0 H ILE A 31 -7.907 -8.263 10.493 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.673 -8.722 11.978 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.059 -8.606 9.007 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.561 -11.197 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.890 -10.408 11.017 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.963 -9.872 8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.696 -8.231 9.436 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.651 -9.630 10.536 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.710 -11.705 9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.003 -9.967 8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.653 -10.768 7.994 1.00 0.00 H new ATOM 498 N GLN A 32 -4.156 -6.850 12.140 1.00 0.00 N ATOM 499 CA GLN A 32 -3.240 -5.733 12.300 1.00 0.00 C ATOM 500 C GLN A 32 -1.816 -6.243 12.528 1.00 0.00 C ATOM 501 O GLN A 32 -1.618 -7.291 13.141 1.00 0.00 O ATOM 502 CB GLN A 32 -3.685 -4.819 13.443 1.00 0.00 C ATOM 503 CG GLN A 32 -3.376 -3.354 13.126 1.00 0.00 C ATOM 504 CD GLN A 32 -3.571 -2.473 14.361 1.00 0.00 C ATOM 505 OE1 GLN A 32 -4.450 -1.630 14.423 1.00 0.00 O ATOM 506 NE2 GLN A 32 -2.701 -2.714 15.339 1.00 0.00 N ATOM 0 H GLN A 32 -4.087 -7.565 12.864 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.251 -5.144 11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.755 -4.940 13.615 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.180 -5.110 14.364 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.350 -3.264 12.769 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.025 -3.008 12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.989 -3.435 15.222 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.746 -2.178 16.205 1.00 0.00 H new ATOM 515 N ALA A 33 -0.860 -5.479 12.022 1.00 0.00 N ATOM 516 CA ALA A 33 0.541 -5.840 12.162 1.00 0.00 C ATOM 517 C ALA A 33 1.409 -4.603 11.918 1.00 0.00 C ATOM 518 O ALA A 33 1.084 -3.770 11.074 1.00 0.00 O ATOM 519 CB ALA A 33 0.872 -6.983 11.202 1.00 0.00 C ATOM 0 H ALA A 33 -1.028 -4.611 11.514 1.00 0.00 H new ATOM 0 HA ALA A 33 0.747 -6.193 13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.923 -7.254 11.307 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.250 -7.847 11.436 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.680 -6.665 10.177 1.00 0.00 H new ATOM 525 N ASP A 34 2.496 -4.525 12.671 1.00 0.00 N ATOM 526 CA ASP A 34 3.413 -3.405 12.547 1.00 0.00 C ATOM 527 C ASP A 34 3.797 -3.227 11.076 1.00 0.00 C ATOM 528 O ASP A 34 3.638 -2.144 10.517 1.00 0.00 O ATOM 529 CB ASP A 34 4.695 -3.652 13.345 1.00 0.00 C ATOM 530 CG ASP A 34 5.423 -2.388 13.806 1.00 0.00 C ATOM 531 OD1 ASP A 34 4.777 -1.665 14.656 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.551 -2.107 13.375 1.00 0.00 O ATOM 0 H ASP A 34 2.762 -5.219 13.369 1.00 0.00 H new ATOM 0 HA ASP A 34 2.914 -2.516 12.933 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.450 -4.252 14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.377 -4.244 12.734 1.00 0.00 H new ATOM 537 N GLY A 35 4.297 -4.306 10.494 1.00 0.00 N ATOM 538 CA GLY A 35 4.706 -4.283 9.100 1.00 0.00 C ATOM 539 C GLY A 35 3.534 -4.631 8.179 1.00 0.00 C ATOM 540 O GLY A 35 3.733 -5.161 7.088 1.00 0.00 O ATOM 0 H GLY A 35 4.428 -5.203 10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.092 -3.295 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.519 -4.992 8.944 1.00 0.00 H new ATOM 544 N LEU A 36 2.337 -4.316 8.653 1.00 0.00 N ATOM 545 CA LEU A 36 1.134 -4.587 7.886 1.00 0.00 C ATOM 546 C LEU A 36 0.249 -3.339 7.875 1.00 0.00 C ATOM 547 O LEU A 36 -0.014 -2.751 8.923 1.00 0.00 O ATOM 548 CB LEU A 36 0.429 -5.836 8.420 1.00 0.00 C ATOM 549 CG LEU A 36 -0.479 -6.568 7.430 1.00 0.00 C ATOM 550 CD1 LEU A 36 0.344 -7.342 6.399 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.474 -7.471 8.164 1.00 0.00 C ATOM 0 H LEU A 36 2.175 -3.876 9.559 1.00 0.00 H new ATOM 0 HA LEU A 36 1.385 -4.809 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.188 -6.535 8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.167 -5.550 9.286 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.060 -5.824 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.326 -7.853 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.978 -6.649 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.968 -8.076 6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.108 -7.980 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.930 -8.210 8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.094 -6.867 8.826 1.00 0.00 H new ATOM 563 N VAL A 37 -0.186 -2.972 6.679 1.00 0.00 N ATOM 564 CA VAL A 37 -1.036 -1.804 6.517 1.00 0.00 C ATOM 565 C VAL A 37 -2.271 -2.188 5.701 1.00 0.00 C ATOM 566 O VAL A 37 -2.174 -2.947 4.739 1.00 0.00 O ATOM 567 CB VAL A 37 -0.238 -0.660 5.889 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.164 0.473 5.442 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.832 -0.144 6.856 1.00 0.00 C ATOM 0 H VAL A 37 0.034 -3.463 5.812 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.384 -1.447 7.486 1.00 0.00 H new ATOM 0 HB VAL A 37 0.267 -1.049 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.572 1.274 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.872 0.095 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.709 0.859 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.386 0.669 6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.355 0.220 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.518 -0.954 7.105 1.00 0.00 H new ATOM 579 N TRP A 38 -3.407 -1.646 6.117 1.00 0.00 N ATOM 580 CA TRP A 38 -4.662 -1.922 5.437 1.00 0.00 C ATOM 581 C TRP A 38 -5.035 -0.687 4.615 1.00 0.00 C ATOM 582 O TRP A 38 -5.342 0.366 5.174 1.00 0.00 O ATOM 583 CB TRP A 38 -5.748 -2.327 6.435 1.00 0.00 C ATOM 584 CG TRP A 38 -5.762 -3.821 6.767 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.706 -4.398 7.974 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.839 -4.911 5.823 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.742 -5.775 7.879 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.826 -6.095 6.530 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.919 -4.895 4.420 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.888 -7.354 5.918 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.981 -6.159 3.823 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.968 -7.363 4.519 1.00 0.00 C ATOM 0 H TRP A 38 -3.485 -1.017 6.916 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.557 -2.771 4.761 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.609 -1.762 7.357 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.721 -2.046 6.032 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.641 -3.855 8.905 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.712 -6.435 8.656 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.932 -3.979 3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.875 -8.268 6.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.043 -6.203 2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.019 -8.300 3.984 1.00 0.00 H new ATOM 603 N GLY A 39 -4.998 -0.855 3.302 1.00 0.00 N ATOM 604 CA GLY A 39 -5.328 0.233 2.398 1.00 0.00 C ATOM 605 C GLY A 39 -6.841 0.466 2.351 1.00 0.00 C ATOM 606 O GLY A 39 -7.349 1.391 2.982 1.00 0.00 O ATOM 0 H GLY A 39 -4.744 -1.729 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.826 1.145 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.960 0.004 1.398 1.00 0.00 H new ATOM 610 N SER A 40 -7.516 -0.389 1.597 1.00 0.00 N ATOM 611 CA SER A 40 -8.959 -0.286 1.460 1.00 0.00 C ATOM 612 C SER A 40 -9.486 -1.441 0.605 1.00 0.00 C ATOM 613 O SER A 40 -8.958 -1.712 -0.472 1.00 0.00 O ATOM 614 CB SER A 40 -9.360 1.055 0.844 1.00 0.00 C ATOM 615 OG SER A 40 -8.796 1.239 -0.451 1.00 0.00 O ATOM 0 H SER A 40 -7.091 -1.155 1.075 1.00 0.00 H new ATOM 0 HA SER A 40 -9.402 -0.345 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.446 1.113 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.037 1.865 1.498 1.00 0.00 H new ATOM 0 HG SER A 40 -8.648 0.366 -0.870 1.00 0.00 H new ATOM 621 N SER A 41 -10.520 -2.091 1.118 1.00 0.00 N ATOM 622 CA SER A 41 -11.124 -3.210 0.415 1.00 0.00 C ATOM 623 C SER A 41 -12.180 -2.701 -0.569 1.00 0.00 C ATOM 624 O SER A 41 -12.675 -1.584 -0.431 1.00 0.00 O ATOM 625 CB SER A 41 -11.748 -4.204 1.396 1.00 0.00 C ATOM 626 OG SER A 41 -12.763 -3.601 2.195 1.00 0.00 O ATOM 0 H SER A 41 -10.955 -1.864 2.012 1.00 0.00 H new ATOM 0 HA SER A 41 -10.341 -3.729 -0.138 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.172 -5.042 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.971 -4.611 2.043 1.00 0.00 H new ATOM 0 HG SER A 41 -12.802 -4.048 3.066 1.00 0.00 H new ATOM 632 N LYS A 42 -12.494 -3.547 -1.539 1.00 0.00 N ATOM 633 CA LYS A 42 -13.481 -3.197 -2.546 1.00 0.00 C ATOM 634 C LYS A 42 -14.482 -4.345 -2.692 1.00 0.00 C ATOM 635 O LYS A 42 -14.184 -5.483 -2.333 1.00 0.00 O ATOM 636 CB LYS A 42 -12.795 -2.808 -3.858 1.00 0.00 C ATOM 637 CG LYS A 42 -11.537 -1.979 -3.593 1.00 0.00 C ATOM 638 CD LYS A 42 -11.207 -1.087 -4.791 1.00 0.00 C ATOM 639 CE LYS A 42 -12.296 -0.033 -5.006 1.00 0.00 C ATOM 640 NZ LYS A 42 -11.802 1.308 -4.624 1.00 0.00 N ATOM 0 H LYS A 42 -12.082 -4.474 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.046 -2.318 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.532 -3.707 -4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.486 -2.238 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.683 -1.363 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.697 -2.642 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.247 -0.596 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.106 -1.699 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.605 -0.029 -6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.176 -0.285 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.553 2.011 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.529 1.305 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.976 1.553 -5.207 1.00 0.00 H new ATOM 654 N LEU A 43 -15.649 -4.006 -3.221 1.00 0.00 N ATOM 655 CA LEU A 43 -16.696 -4.995 -3.419 1.00 0.00 C ATOM 656 C LEU A 43 -17.068 -5.046 -4.902 1.00 0.00 C ATOM 657 O LEU A 43 -16.993 -4.035 -5.601 1.00 0.00 O ATOM 658 CB LEU A 43 -17.883 -4.710 -2.497 1.00 0.00 C ATOM 659 CG LEU A 43 -17.893 -5.465 -1.166 1.00 0.00 C ATOM 660 CD1 LEU A 43 -18.041 -6.971 -1.391 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.654 -5.128 -0.334 1.00 0.00 C ATOM 0 H LEU A 43 -15.893 -3.061 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.340 -5.988 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.906 -3.641 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.801 -4.948 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.762 -5.138 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -18.045 -7.484 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.977 -7.171 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -17.206 -7.333 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.687 -5.678 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.757 -5.408 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.634 -4.058 -0.128 1.00 0.00 H new ATOM 673 N VAL A 44 -17.461 -6.233 -5.340 1.00 0.00 N ATOM 674 CA VAL A 44 -17.846 -6.429 -6.728 1.00 0.00 C ATOM 675 C VAL A 44 -18.793 -7.627 -6.826 1.00 0.00 C ATOM 676 O VAL A 44 -18.381 -8.767 -6.614 1.00 0.00 O ATOM 677 CB VAL A 44 -16.598 -6.581 -7.600 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.977 -6.822 -9.062 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.683 -5.363 -7.464 1.00 0.00 C ATOM 0 H VAL A 44 -17.521 -7.069 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.384 -5.558 -7.102 1.00 0.00 H new ATOM 0 HB VAL A 44 -16.048 -7.454 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.072 -6.926 -9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.570 -7.733 -9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.560 -5.978 -9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.803 -5.496 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.220 -4.468 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.372 -5.256 -6.425 1.00 0.00 H new ATOM 689 N PRO A 45 -20.076 -7.320 -7.154 1.00 0.00 N ATOM 690 CA PRO A 45 -21.085 -8.358 -7.283 1.00 0.00 C ATOM 691 C PRO A 45 -20.903 -9.142 -8.584 1.00 0.00 C ATOM 692 O PRO A 45 -20.702 -8.552 -9.645 1.00 0.00 O ATOM 693 CB PRO A 45 -22.414 -7.625 -7.213 1.00 0.00 C ATOM 694 CG PRO A 45 -22.104 -6.168 -7.514 1.00 0.00 C ATOM 695 CD PRO A 45 -20.599 -5.981 -7.412 1.00 0.00 C ATOM 0 HA PRO A 45 -21.017 -9.110 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.122 -8.031 -7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.867 -7.732 -6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.455 -5.901 -8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.618 -5.515 -6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.188 -5.566 -8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.339 -5.293 -6.608 1.00 0.00 H new ATOM 703 N VAL A 46 -20.977 -10.459 -8.460 1.00 0.00 N ATOM 704 CA VAL A 46 -20.824 -11.329 -9.613 1.00 0.00 C ATOM 705 C VAL A 46 -21.896 -12.419 -9.570 1.00 0.00 C ATOM 706 O VAL A 46 -22.559 -12.682 -10.573 1.00 0.00 O ATOM 707 CB VAL A 46 -19.401 -11.891 -9.657 1.00 0.00 C ATOM 708 CG1 VAL A 46 -18.952 -12.355 -8.271 1.00 0.00 C ATOM 709 CG2 VAL A 46 -19.292 -13.026 -10.678 1.00 0.00 C ATOM 0 H VAL A 46 -21.141 -10.945 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.968 -10.769 -10.537 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.733 -11.090 -9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -17.938 -12.750 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.973 -11.512 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.624 -13.135 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.271 -13.408 -10.690 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.977 -13.829 -10.404 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.550 -12.651 -11.668 1.00 0.00 H new ATOM 719 N GLY A 47 -22.033 -13.024 -8.400 1.00 0.00 N ATOM 720 CA GLY A 47 -23.015 -14.080 -8.214 1.00 0.00 C ATOM 721 C GLY A 47 -24.429 -13.504 -8.120 1.00 0.00 C ATOM 722 O GLY A 47 -24.608 -12.344 -7.753 1.00 0.00 O ATOM 0 H GLY A 47 -21.481 -12.804 -7.571 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -22.960 -14.783 -9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -22.785 -14.639 -7.307 1.00 0.00 H new ATOM 726 N TYR A 48 -25.398 -14.341 -8.458 1.00 0.00 N ATOM 727 CA TYR A 48 -26.792 -13.930 -8.417 1.00 0.00 C ATOM 728 C TYR A 48 -27.067 -13.050 -7.197 1.00 0.00 C ATOM 729 O TYR A 48 -27.650 -11.974 -7.322 1.00 0.00 O ATOM 730 CB TYR A 48 -27.608 -15.219 -8.297 1.00 0.00 C ATOM 731 CG TYR A 48 -29.079 -14.992 -7.942 1.00 0.00 C ATOM 732 CD1 TYR A 48 -29.937 -14.441 -8.873 1.00 0.00 C ATOM 733 CD2 TYR A 48 -29.548 -15.338 -6.691 1.00 0.00 C ATOM 734 CE1 TYR A 48 -31.321 -14.228 -8.538 1.00 0.00 C ATOM 735 CE2 TYR A 48 -30.932 -15.124 -6.357 1.00 0.00 C ATOM 736 CZ TYR A 48 -31.750 -14.580 -7.296 1.00 0.00 C ATOM 737 OH TYR A 48 -33.058 -14.379 -6.981 1.00 0.00 O ATOM 0 H TYR A 48 -25.246 -15.303 -8.762 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.050 -13.354 -9.306 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -27.552 -15.762 -9.241 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -27.155 -15.855 -7.536 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -29.570 -14.170 -9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -28.877 -15.769 -5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -32.003 -13.798 -9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -31.312 -15.390 -5.382 1.00 0.00 H new ATOM 0 HH TYR A 48 -33.223 -14.678 -6.062 1.00 0.00 H new ATOM 747 N GLY A 49 -26.636 -13.540 -6.044 1.00 0.00 N ATOM 748 CA GLY A 49 -26.828 -12.811 -4.802 1.00 0.00 C ATOM 749 C GLY A 49 -25.557 -12.831 -3.951 1.00 0.00 C ATOM 750 O GLY A 49 -25.620 -12.689 -2.731 1.00 0.00 O ATOM 0 H GLY A 49 -26.154 -14.433 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.107 -11.780 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.652 -13.252 -4.241 1.00 0.00 H new ATOM 754 N ILE A 50 -24.433 -13.007 -4.629 1.00 0.00 N ATOM 755 CA ILE A 50 -23.148 -13.047 -3.951 1.00 0.00 C ATOM 756 C ILE A 50 -22.298 -11.860 -4.408 1.00 0.00 C ATOM 757 O ILE A 50 -22.582 -11.247 -5.436 1.00 0.00 O ATOM 758 CB ILE A 50 -22.473 -14.404 -4.161 1.00 0.00 C ATOM 759 CG1 ILE A 50 -23.250 -15.517 -3.455 1.00 0.00 C ATOM 760 CG2 ILE A 50 -21.008 -14.361 -3.724 1.00 0.00 C ATOM 761 CD1 ILE A 50 -24.377 -16.048 -4.343 1.00 0.00 C ATOM 0 H ILE A 50 -24.385 -13.124 -5.641 1.00 0.00 H new ATOM 0 HA ILE A 50 -23.282 -12.947 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.484 -14.630 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.572 -16.331 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.666 -15.139 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.552 -15.338 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.475 -13.612 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.951 -14.103 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.913 -16.838 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -25.066 -15.237 -4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.956 -16.447 -5.266 1.00 0.00 H new ATOM 773 N LYS A 51 -21.270 -11.572 -3.623 1.00 0.00 N ATOM 774 CA LYS A 51 -20.377 -10.469 -3.933 1.00 0.00 C ATOM 775 C LYS A 51 -18.928 -10.958 -3.867 1.00 0.00 C ATOM 776 O LYS A 51 -18.657 -12.036 -3.341 1.00 0.00 O ATOM 777 CB LYS A 51 -20.665 -9.272 -3.025 1.00 0.00 C ATOM 778 CG LYS A 51 -21.152 -8.071 -3.837 1.00 0.00 C ATOM 779 CD LYS A 51 -21.992 -7.129 -2.972 1.00 0.00 C ATOM 780 CE LYS A 51 -22.058 -5.730 -3.589 1.00 0.00 C ATOM 781 NZ LYS A 51 -22.254 -4.708 -2.537 1.00 0.00 N ATOM 0 H LYS A 51 -21.036 -12.084 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.549 -10.115 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.418 -9.545 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.763 -9.002 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.297 -7.531 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.743 -8.416 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.000 -7.530 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.564 -7.069 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.139 -5.524 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.876 -5.682 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.297 -3.765 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.143 -4.896 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.460 -4.744 -1.866 1.00 0.00 H new ATOM 795 N LYS A 52 -18.037 -10.141 -4.407 1.00 0.00 N ATOM 796 CA LYS A 52 -16.623 -10.476 -4.415 1.00 0.00 C ATOM 797 C LYS A 52 -15.995 -10.050 -3.087 1.00 0.00 C ATOM 798 O LYS A 52 -16.400 -9.050 -2.495 1.00 0.00 O ATOM 799 CB LYS A 52 -15.936 -9.873 -5.641 1.00 0.00 C ATOM 800 CG LYS A 52 -14.420 -9.804 -5.443 1.00 0.00 C ATOM 801 CD LYS A 52 -13.684 -10.006 -6.769 1.00 0.00 C ATOM 802 CE LYS A 52 -13.441 -8.669 -7.470 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.678 -8.795 -8.926 1.00 0.00 N ATOM 0 H LYS A 52 -18.266 -9.248 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.488 -11.554 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.164 -10.473 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.328 -8.873 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.149 -8.838 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.108 -10.567 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.732 -10.504 -6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.268 -10.660 -7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.101 -7.908 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.418 -8.338 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.508 -7.878 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.031 -9.506 -9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.661 -9.090 -9.093 1.00 0.00 H new ATOM 817 N LEU A 53 -15.014 -10.831 -2.655 1.00 0.00 N ATOM 818 CA LEU A 53 -14.326 -10.547 -1.408 1.00 0.00 C ATOM 819 C LEU A 53 -12.940 -9.975 -1.713 1.00 0.00 C ATOM 820 O LEU A 53 -11.926 -10.556 -1.327 1.00 0.00 O ATOM 821 CB LEU A 53 -14.296 -11.791 -0.517 1.00 0.00 C ATOM 822 CG LEU A 53 -14.804 -11.605 0.914 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.873 -10.687 1.710 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.249 -11.102 0.921 1.00 0.00 C ATOM 0 H LEU A 53 -14.680 -11.660 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.865 -9.789 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.891 -12.569 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.270 -12.157 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.799 -12.576 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.256 -10.571 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.875 -11.124 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.824 -9.711 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.586 -10.978 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.303 -10.144 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.888 -11.825 0.414 1.00 0.00 H new ATOM 836 N GLN A 54 -12.940 -8.844 -2.403 1.00 0.00 N ATOM 837 CA GLN A 54 -11.695 -8.189 -2.765 1.00 0.00 C ATOM 838 C GLN A 54 -11.231 -7.270 -1.633 1.00 0.00 C ATOM 839 O GLN A 54 -12.039 -6.566 -1.029 1.00 0.00 O ATOM 840 CB GLN A 54 -11.846 -7.412 -4.075 1.00 0.00 C ATOM 841 CG GLN A 54 -10.582 -6.605 -4.381 1.00 0.00 C ATOM 842 CD GLN A 54 -10.132 -6.819 -5.828 1.00 0.00 C ATOM 843 OE1 GLN A 54 -9.435 -7.766 -6.155 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.569 -5.890 -6.674 1.00 0.00 N ATOM 0 H GLN A 54 -13.782 -8.365 -2.721 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.935 -8.955 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.046 -8.105 -4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.703 -6.742 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.772 -5.546 -4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.784 -6.901 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.149 -5.123 -6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.324 -5.945 -7.663 1.00 0.00 H new ATOM 853 N ILE A 55 -9.931 -7.307 -1.380 1.00 0.00 N ATOM 854 CA ILE A 55 -9.349 -6.486 -0.331 1.00 0.00 C ATOM 855 C ILE A 55 -7.936 -6.066 -0.742 1.00 0.00 C ATOM 856 O ILE A 55 -7.234 -6.817 -1.418 1.00 0.00 O ATOM 857 CB ILE A 55 -9.407 -7.215 1.013 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.018 -7.696 1.436 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.423 -8.359 0.973 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.557 -8.871 0.571 1.00 0.00 C ATOM 0 H ILE A 55 -9.264 -7.892 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.927 -5.572 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.747 -6.509 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.304 -6.876 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.037 -7.996 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.444 -8.861 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.412 -7.959 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.137 -9.073 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.567 -9.193 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.260 -9.698 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.516 -8.560 -0.473 1.00 0.00 H new ATOM 872 N GLN A 56 -7.562 -4.868 -0.317 1.00 0.00 N ATOM 873 CA GLN A 56 -6.246 -4.340 -0.632 1.00 0.00 C ATOM 874 C GLN A 56 -5.436 -4.134 0.649 1.00 0.00 C ATOM 875 O GLN A 56 -5.980 -3.723 1.673 1.00 0.00 O ATOM 876 CB GLN A 56 -6.355 -3.037 -1.428 1.00 0.00 C ATOM 877 CG GLN A 56 -4.970 -2.522 -1.826 1.00 0.00 C ATOM 878 CD GLN A 56 -4.224 -3.552 -2.675 1.00 0.00 C ATOM 879 OE1 GLN A 56 -3.859 -4.623 -2.219 1.00 0.00 O ATOM 880 NE2 GLN A 56 -4.017 -3.170 -3.932 1.00 0.00 N ATOM 0 H GLN A 56 -8.148 -4.248 0.243 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.724 -5.066 -1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.957 -3.202 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.870 -2.284 -0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.071 -1.591 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.391 -2.296 -0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.349 -2.259 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.526 -3.788 -4.579 1.00 0.00 H new ATOM 889 N CYS A 57 -4.147 -4.428 0.551 1.00 0.00 N ATOM 890 CA CYS A 57 -3.257 -4.280 1.689 1.00 0.00 C ATOM 891 C CYS A 57 -1.979 -3.587 1.212 1.00 0.00 C ATOM 892 O CYS A 57 -1.764 -3.432 0.011 1.00 0.00 O ATOM 893 CB CYS A 57 -2.963 -5.626 2.355 1.00 0.00 C ATOM 894 SG CYS A 57 -2.688 -6.909 1.080 1.00 0.00 S ATOM 0 H CYS A 57 -3.698 -4.768 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.737 -3.668 2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.083 -5.541 2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.796 -5.913 2.997 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.291 -6.565 -0.019 1.00 0.00 H new ATOM 900 N VAL A 58 -1.164 -3.190 2.178 1.00 0.00 N ATOM 901 CA VAL A 58 0.087 -2.517 1.872 1.00 0.00 C ATOM 902 C VAL A 58 1.212 -3.141 2.699 1.00 0.00 C ATOM 903 O VAL A 58 1.598 -2.601 3.735 1.00 0.00 O ATOM 904 CB VAL A 58 -0.059 -1.011 2.100 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.280 -0.296 1.911 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.131 -0.419 1.184 1.00 0.00 C ATOM 0 H VAL A 58 -1.345 -3.321 3.173 1.00 0.00 H new ATOM 0 HA VAL A 58 0.345 -2.649 0.821 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.378 -0.858 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.149 0.773 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.006 -0.688 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.641 -0.462 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.214 0.652 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.855 -0.589 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.089 -0.897 1.388 1.00 0.00 H new ATOM 916 N VAL A 59 1.708 -4.269 2.211 1.00 0.00 N ATOM 917 CA VAL A 59 2.782 -4.972 2.893 1.00 0.00 C ATOM 918 C VAL A 59 4.124 -4.362 2.485 1.00 0.00 C ATOM 919 O VAL A 59 4.172 -3.463 1.648 1.00 0.00 O ATOM 920 CB VAL A 59 2.692 -6.471 2.603 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.286 -7.002 2.889 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.111 -6.777 1.163 1.00 0.00 C ATOM 0 H VAL A 59 1.386 -4.714 1.351 1.00 0.00 H new ATOM 0 HA VAL A 59 2.689 -4.858 3.973 1.00 0.00 H new ATOM 0 HB VAL A 59 3.385 -6.983 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.250 -8.070 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.040 -6.834 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.565 -6.481 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.038 -7.850 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.454 -6.248 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.140 -6.452 1.007 1.00 0.00 H new ATOM 932 N GLU A 60 5.181 -4.877 3.095 1.00 0.00 N ATOM 933 CA GLU A 60 6.520 -4.395 2.806 1.00 0.00 C ATOM 934 C GLU A 60 7.057 -5.050 1.532 1.00 0.00 C ATOM 935 O GLU A 60 6.364 -5.846 0.899 1.00 0.00 O ATOM 936 CB GLU A 60 7.460 -4.644 3.988 1.00 0.00 C ATOM 937 CG GLU A 60 7.542 -3.414 4.893 1.00 0.00 C ATOM 938 CD GLU A 60 6.610 -3.555 6.098 1.00 0.00 C ATOM 939 OE1 GLU A 60 5.355 -3.417 5.836 1.00 0.00 O ATOM 940 OE2 GLU A 60 7.082 -3.787 7.221 1.00 0.00 O ATOM 0 H GLU A 60 5.137 -5.624 3.789 1.00 0.00 H new ATOM 0 HA GLU A 60 6.470 -3.318 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.107 -5.500 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.454 -4.895 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.568 -3.279 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.276 -2.522 4.325 1.00 0.00 H new ATOM 947 N ASP A 61 8.286 -4.691 1.192 1.00 0.00 N ATOM 948 CA ASP A 61 8.923 -5.234 0.004 1.00 0.00 C ATOM 949 C ASP A 61 9.471 -6.628 0.317 1.00 0.00 C ATOM 950 O ASP A 61 9.208 -7.580 -0.416 1.00 0.00 O ATOM 951 CB ASP A 61 10.093 -4.356 -0.444 1.00 0.00 C ATOM 952 CG ASP A 61 11.155 -5.071 -1.281 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.876 -5.553 -2.389 1.00 0.00 O ATOM 954 OD2 ASP A 61 12.327 -5.123 -0.746 1.00 0.00 O ATOM 0 H ASP A 61 8.858 -4.031 1.718 1.00 0.00 H new ATOM 0 HA ASP A 61 8.177 -5.274 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.699 -3.520 -1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.572 -3.936 0.440 1.00 0.00 H new ATOM 959 N ASP A 62 10.222 -6.703 1.406 1.00 0.00 N ATOM 960 CA ASP A 62 10.809 -7.965 1.823 1.00 0.00 C ATOM 961 C ASP A 62 10.706 -8.091 3.345 1.00 0.00 C ATOM 962 O ASP A 62 11.501 -8.793 3.968 1.00 0.00 O ATOM 963 CB ASP A 62 12.289 -8.037 1.442 1.00 0.00 C ATOM 964 CG ASP A 62 13.012 -9.309 1.890 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.909 -10.309 1.081 1.00 0.00 O ATOM 966 OD2 ASP A 62 13.641 -9.343 2.959 1.00 0.00 O ATOM 0 H ASP A 62 10.437 -5.911 2.012 1.00 0.00 H new ATOM 0 HA ASP A 62 10.269 -8.770 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.374 -7.951 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.801 -7.176 1.871 1.00 0.00 H new ATOM 971 N LYS A 63 9.720 -7.400 3.898 1.00 0.00 N ATOM 972 CA LYS A 63 9.504 -7.426 5.335 1.00 0.00 C ATOM 973 C LYS A 63 8.210 -8.185 5.637 1.00 0.00 C ATOM 974 O LYS A 63 8.107 -8.862 6.659 1.00 0.00 O ATOM 975 CB LYS A 63 9.531 -6.007 5.906 1.00 0.00 C ATOM 976 CG LYS A 63 10.560 -5.890 7.033 1.00 0.00 C ATOM 977 CD LYS A 63 11.845 -5.226 6.535 1.00 0.00 C ATOM 978 CE LYS A 63 12.873 -5.104 7.662 1.00 0.00 C ATOM 979 NZ LYS A 63 12.510 -4.000 8.578 1.00 0.00 N ATOM 0 H LYS A 63 9.062 -6.819 3.378 1.00 0.00 H new ATOM 0 HA LYS A 63 10.313 -7.961 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.771 -5.297 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.543 -5.743 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.141 -5.309 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.787 -6.881 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.266 -5.809 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.617 -4.237 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.927 -6.041 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.863 -4.925 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.244 -3.898 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.432 -3.114 8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.598 -4.211 9.032 1.00 0.00 H new ATOM 993 N VAL A 64 7.255 -8.047 4.730 1.00 0.00 N ATOM 994 CA VAL A 64 5.971 -8.711 4.885 1.00 0.00 C ATOM 995 C VAL A 64 5.402 -9.042 3.505 1.00 0.00 C ATOM 996 O VAL A 64 5.368 -8.186 2.622 1.00 0.00 O ATOM 997 CB VAL A 64 5.033 -7.845 5.728 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.622 -8.437 5.762 1.00 0.00 C ATOM 999 CG2 VAL A 64 5.583 -7.656 7.144 1.00 0.00 C ATOM 0 H VAL A 64 7.344 -7.485 3.884 1.00 0.00 H new ATOM 0 HA VAL A 64 6.090 -9.653 5.420 1.00 0.00 H new ATOM 0 HB VAL A 64 4.973 -6.863 5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.976 -7.802 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.227 -8.494 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.657 -9.437 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.897 -7.037 7.721 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.688 -8.628 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.557 -7.169 7.094 1.00 0.00 H new ATOM 1009 N GLY A 65 4.968 -10.286 3.362 1.00 0.00 N ATOM 1010 CA GLY A 65 4.401 -10.741 2.104 1.00 0.00 C ATOM 1011 C GLY A 65 2.985 -11.284 2.305 1.00 0.00 C ATOM 1012 O GLY A 65 2.475 -11.298 3.424 1.00 0.00 O ATOM 0 H GLY A 65 4.998 -10.993 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.380 -9.917 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.035 -11.517 1.675 1.00 0.00 H new ATOM 1016 N THR A 66 2.391 -11.719 1.203 1.00 0.00 N ATOM 1017 CA THR A 66 1.044 -12.262 1.245 1.00 0.00 C ATOM 1018 C THR A 66 1.058 -13.681 1.817 1.00 0.00 C ATOM 1019 O THR A 66 0.539 -14.609 1.198 1.00 0.00 O ATOM 1020 CB THR A 66 0.457 -12.182 -0.166 1.00 0.00 C ATOM 1021 OG1 THR A 66 0.538 -10.798 -0.497 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.041 -12.484 -0.196 1.00 0.00 C ATOM 0 H THR A 66 2.818 -11.706 0.277 1.00 0.00 H new ATOM 0 HA THR A 66 0.405 -11.683 1.912 1.00 0.00 H new ATOM 0 HB THR A 66 0.981 -12.882 -0.817 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.016 -10.276 0.148 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.406 -12.413 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.217 -13.491 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.570 -11.764 0.428 1.00 0.00 H new ATOM 1030 N ASP A 67 1.659 -13.806 2.991 1.00 0.00 N ATOM 1031 CA ASP A 67 1.749 -15.096 3.653 1.00 0.00 C ATOM 1032 C ASP A 67 0.900 -15.071 4.926 1.00 0.00 C ATOM 1033 O ASP A 67 -0.150 -15.709 4.989 1.00 0.00 O ATOM 1034 CB ASP A 67 3.191 -15.411 4.053 1.00 0.00 C ATOM 1035 CG ASP A 67 4.045 -14.192 4.406 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.057 -13.188 3.679 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.730 -14.303 5.494 1.00 0.00 O ATOM 0 H ASP A 67 2.089 -13.034 3.501 1.00 0.00 H new ATOM 0 HA ASP A 67 1.394 -15.857 2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.176 -16.085 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.671 -15.947 3.234 1.00 0.00 H new ATOM 1042 N MET A 68 1.386 -14.327 5.908 1.00 0.00 N ATOM 1043 CA MET A 68 0.685 -14.209 7.176 1.00 0.00 C ATOM 1044 C MET A 68 -0.790 -13.864 6.957 1.00 0.00 C ATOM 1045 O MET A 68 -1.662 -14.384 7.651 1.00 0.00 O ATOM 1046 CB MET A 68 1.344 -13.121 8.025 1.00 0.00 C ATOM 1047 CG MET A 68 1.458 -13.561 9.487 1.00 0.00 C ATOM 1048 SD MET A 68 -0.165 -13.907 10.147 1.00 0.00 S ATOM 1049 CE MET A 68 -0.884 -12.275 10.074 1.00 0.00 C ATOM 0 H MET A 68 2.257 -13.799 5.852 1.00 0.00 H new ATOM 0 HA MET A 68 0.742 -15.168 7.692 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.335 -12.897 7.630 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.761 -12.202 7.962 1.00 0.00 H new ATOM 0 HG2 MET A 68 2.087 -14.448 9.561 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.940 -12.779 10.074 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.508 -12.113 10.953 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.090 -11.528 10.050 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.493 -12.186 9.175 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.022 -12.989 5.990 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.376 -12.568 5.672 1.00 0.00 C ATOM 1061 C LEU A 69 -3.192 -13.783 5.228 1.00 0.00 C ATOM 1062 O LEU A 69 -4.156 -14.164 5.890 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.356 -11.432 4.647 1.00 0.00 C ATOM 1064 CG LEU A 69 -2.213 -10.018 5.215 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -2.433 -8.966 4.127 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -3.145 -9.810 6.410 1.00 0.00 C ATOM 0 H LEU A 69 -0.296 -12.560 5.416 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.866 -12.160 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.533 -11.609 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.277 -11.477 4.066 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.192 -9.897 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.326 -7.970 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.695 -9.101 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.435 -9.076 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.023 -8.797 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.178 -9.957 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.898 -10.527 7.193 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.776 -14.359 4.109 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.456 -15.523 3.568 1.00 0.00 C ATOM 1080 C GLU A 70 -3.729 -16.541 4.677 1.00 0.00 C ATOM 1081 O GLU A 70 -4.876 -16.917 4.912 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.647 -16.154 2.433 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.432 -17.282 1.761 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.490 -18.260 1.057 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.520 -17.833 0.412 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.795 -19.506 1.196 1.00 0.00 O ATOM 0 H GLU A 70 -1.976 -14.041 3.562 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.411 -15.200 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.394 -15.393 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.707 -16.543 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.023 -17.813 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.133 -16.863 1.039 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.655 -16.959 5.330 1.00 0.00 N ATOM 1094 CA GLU A 71 -2.764 -17.926 6.409 1.00 0.00 C ATOM 1095 C GLU A 71 -3.848 -17.497 7.399 1.00 0.00 C ATOM 1096 O GLU A 71 -4.368 -18.319 8.152 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.420 -18.114 7.116 1.00 0.00 C ATOM 1098 CG GLU A 71 -0.769 -19.439 6.714 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.703 -20.400 7.903 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -1.748 -20.799 8.437 1.00 0.00 O ATOM 1101 OE2 GLU A 71 0.489 -20.732 8.269 1.00 0.00 O ATOM 0 H GLU A 71 -1.705 -16.646 5.133 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.050 -18.887 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.755 -17.287 6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.567 -18.090 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.337 -19.896 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.236 -19.254 6.335 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.159 -16.209 7.366 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.172 -15.661 8.252 1.00 0.00 C ATOM 1110 C GLN A 72 -6.505 -15.527 7.513 1.00 0.00 C ATOM 1111 O GLN A 72 -7.546 -15.942 8.023 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.727 -14.315 8.827 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.566 -13.936 10.048 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.675 -13.650 11.260 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.462 -13.765 11.210 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -5.344 -13.273 12.345 1.00 0.00 N ATOM 0 H GLN A 72 -3.727 -15.529 6.740 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.308 -16.348 9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.674 -14.365 9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.818 -13.542 8.064 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.169 -13.057 9.820 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.258 -14.745 10.284 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.361 -13.197 12.317 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.841 -13.059 13.206 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.432 -14.947 6.324 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.620 -14.753 5.511 1.00 0.00 C ATOM 1127 C ILE A 73 -8.182 -16.117 5.104 1.00 0.00 C ATOM 1128 O ILE A 73 -9.336 -16.429 5.394 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.315 -13.836 4.325 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.591 -12.569 4.785 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.586 -13.516 3.538 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -7.211 -12.019 6.072 1.00 0.00 C ATOM 0 H ILE A 73 -5.568 -14.605 5.904 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.395 -14.246 6.085 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.643 -14.364 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.536 -12.788 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.640 -11.813 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.341 -12.863 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.023 -14.441 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.302 -13.016 4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.678 -11.119 6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.259 -11.778 5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.138 -12.768 6.860 1.00 0.00 H new ATOM 1144 N THR A 74 -7.340 -16.894 4.440 1.00 0.00 N ATOM 1145 CA THR A 74 -7.738 -18.218 3.990 1.00 0.00 C ATOM 1146 C THR A 74 -7.910 -19.157 5.185 1.00 0.00 C ATOM 1147 O THR A 74 -8.543 -20.205 5.069 1.00 0.00 O ATOM 1148 CB THR A 74 -6.699 -18.705 2.978 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.507 -18.848 3.745 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.348 -17.639 1.939 1.00 0.00 C ATOM 0 H THR A 74 -6.383 -16.633 4.202 1.00 0.00 H new ATOM 0 HA THR A 74 -8.708 -18.193 3.494 1.00 0.00 H new ATOM 0 HB THR A 74 -7.075 -19.594 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.527 -18.224 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.607 -18.037 1.246 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.246 -17.358 1.389 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.941 -16.762 2.441 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.336 -18.747 6.306 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.418 -19.539 7.522 1.00 0.00 C ATOM 1160 C ALA A 75 -8.868 -19.973 7.747 1.00 0.00 C ATOM 1161 O ALA A 75 -9.123 -21.003 8.368 1.00 0.00 O ATOM 1162 CB ALA A 75 -6.861 -18.732 8.696 1.00 0.00 C ATOM 0 H ALA A 75 -6.812 -17.877 6.398 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.815 -20.442 7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.923 -19.326 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.820 -18.475 8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.443 -17.819 8.818 1.00 0.00 H new ATOM 1168 N PHE A 76 -9.781 -19.163 7.229 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.198 -19.449 7.366 1.00 0.00 C ATOM 1170 C PHE A 76 -11.719 -20.231 6.157 1.00 0.00 C ATOM 1171 O PHE A 76 -12.038 -19.643 5.125 1.00 0.00 O ATOM 1172 CB PHE A 76 -11.922 -18.103 7.438 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.403 -17.729 8.841 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -11.576 -17.897 9.909 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -13.654 -17.229 9.021 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -12.022 -17.550 11.212 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -14.100 -16.882 10.324 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.274 -17.050 11.391 1.00 0.00 C ATOM 0 H PHE A 76 -9.566 -18.309 6.714 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.371 -20.052 8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.253 -17.323 7.074 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.780 -18.127 6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.582 -18.294 9.766 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.309 -17.096 8.173 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.367 -17.683 12.060 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.094 -16.485 10.467 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.613 -16.786 12.382 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.787 -21.543 6.326 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.263 -22.411 5.262 1.00 0.00 C ATOM 1190 C GLU A 77 -13.787 -22.534 5.319 1.00 0.00 C ATOM 1191 O GLU A 77 -14.397 -23.145 4.444 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.599 -23.787 5.338 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.178 -24.114 6.772 1.00 0.00 C ATOM 1194 CD GLU A 77 -10.821 -25.595 6.914 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -10.509 -26.256 5.912 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -10.876 -26.056 8.118 1.00 0.00 O ATOM 0 H GLU A 77 -11.520 -22.026 7.184 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.989 -21.964 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.289 -24.548 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.727 -23.810 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.321 -23.501 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.987 -23.864 7.458 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.357 -21.944 6.359 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.799 -21.979 6.542 1.00 0.00 C ATOM 1205 C ASP A 78 -16.404 -20.666 6.044 1.00 0.00 C ATOM 1206 O ASP A 78 -17.505 -20.293 6.448 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.163 -22.137 8.020 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.003 -23.371 8.350 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -17.925 -23.735 7.605 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -16.677 -23.979 9.441 1.00 0.00 O ATOM 0 H ASP A 78 -13.847 -21.439 7.084 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.189 -22.828 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.243 -22.176 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.707 -21.249 8.342 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.659 -19.999 5.174 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.110 -18.735 4.617 1.00 0.00 C ATOM 1217 C TYR A 79 -15.455 -18.471 3.258 1.00 0.00 C ATOM 1218 O TYR A 79 -16.123 -18.053 2.315 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.662 -17.656 5.604 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.647 -17.412 6.749 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.668 -18.265 7.834 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.515 -16.341 6.697 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -17.596 -18.035 8.911 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.443 -16.112 7.773 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.437 -16.970 8.827 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.313 -16.754 9.846 1.00 0.00 O ATOM 0 H TYR A 79 -14.746 -20.310 4.841 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.190 -18.743 4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.697 -17.940 6.023 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.512 -16.722 5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.989 -19.104 7.875 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.498 -15.674 5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -17.623 -18.694 9.766 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.128 -15.278 7.744 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.851 -15.958 9.652 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.157 -18.727 3.204 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.405 -18.522 1.977 1.00 0.00 C ATOM 1238 C VAL A 80 -13.536 -19.760 1.090 1.00 0.00 C ATOM 1239 O VAL A 80 -13.282 -20.878 1.536 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.951 -18.174 2.307 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.082 -18.204 1.048 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.857 -16.817 3.006 1.00 0.00 C ATOM 0 H VAL A 80 -13.606 -19.074 3.989 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.809 -17.678 1.418 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.572 -18.931 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.054 -17.953 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.112 -19.201 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.460 -17.479 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.814 -16.594 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.262 -16.043 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.428 -16.845 3.934 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.935 -19.520 -0.150 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.105 -20.603 -1.105 1.00 0.00 C ATOM 1254 C GLN A 81 -12.768 -20.938 -1.770 1.00 0.00 C ATOM 1255 O GLN A 81 -12.512 -22.093 -2.110 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.164 -20.251 -2.150 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.553 -21.482 -2.973 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.959 -21.086 -4.394 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -15.383 -20.203 -5.009 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -16.981 -21.786 -4.879 1.00 0.00 N ATOM 0 H GLN A 81 -14.146 -18.592 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.452 -21.485 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.047 -19.846 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.783 -19.473 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.715 -22.178 -3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.378 -22.003 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -17.418 -22.512 -4.310 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.328 -21.597 -5.819 1.00 0.00 H new ATOM 1269 N SER A 82 -11.951 -19.908 -1.936 1.00 0.00 N ATOM 1270 CA SER A 82 -10.648 -20.078 -2.555 1.00 0.00 C ATOM 1271 C SER A 82 -10.001 -18.714 -2.797 1.00 0.00 C ATOM 1272 O SER A 82 -10.480 -17.932 -3.616 1.00 0.00 O ATOM 1273 CB SER A 82 -10.759 -20.855 -3.868 1.00 0.00 C ATOM 1274 OG SER A 82 -11.786 -20.335 -4.710 1.00 0.00 O ATOM 0 H SER A 82 -12.167 -18.952 -1.652 1.00 0.00 H new ATOM 0 HA SER A 82 -10.020 -20.654 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.805 -20.817 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.963 -21.904 -3.653 1.00 0.00 H new ATOM 0 HG SER A 82 -11.766 -19.356 -4.684 1.00 0.00 H new ATOM 1280 N MET A 83 -8.921 -18.468 -2.068 1.00 0.00 N ATOM 1281 CA MET A 83 -8.204 -17.211 -2.194 1.00 0.00 C ATOM 1282 C MET A 83 -7.200 -17.266 -3.347 1.00 0.00 C ATOM 1283 O MET A 83 -6.690 -18.333 -3.681 1.00 0.00 O ATOM 1284 CB MET A 83 -7.465 -16.912 -0.888 1.00 0.00 C ATOM 1285 CG MET A 83 -6.419 -15.814 -1.089 1.00 0.00 C ATOM 1286 SD MET A 83 -4.876 -16.532 -1.627 1.00 0.00 S ATOM 1287 CE MET A 83 -3.724 -15.414 -0.846 1.00 0.00 C ATOM 0 H MET A 83 -8.526 -19.118 -1.389 1.00 0.00 H new ATOM 0 HA MET A 83 -8.926 -16.422 -2.403 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.179 -16.604 -0.124 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.981 -17.818 -0.524 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.772 -15.095 -1.828 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.270 -15.267 -0.158 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.767 -15.917 -0.707 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.585 -14.536 -1.477 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.116 -15.106 0.123 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.949 -16.100 -3.926 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.016 -16.002 -5.035 1.00 0.00 C ATOM 1299 C ASP A 84 -5.387 -14.606 -5.045 1.00 0.00 C ATOM 1300 O ASP A 84 -5.595 -13.821 -4.121 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.727 -16.209 -6.374 1.00 0.00 C ATOM 1302 CG ASP A 84 -6.748 -17.652 -6.879 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -7.012 -18.593 -6.114 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -6.477 -17.796 -8.131 1.00 0.00 O ATOM 0 H ASP A 84 -7.376 -15.216 -3.648 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.258 -16.774 -4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.755 -15.858 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.244 -15.584 -7.125 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.630 -14.341 -6.099 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.969 -13.055 -6.240 1.00 0.00 C ATOM 1311 C VAL A 85 -4.591 -12.293 -7.413 1.00 0.00 C ATOM 1312 O VAL A 85 -4.786 -12.856 -8.490 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.460 -13.255 -6.390 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.764 -11.939 -6.744 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.860 -13.870 -5.125 1.00 0.00 C ATOM 0 H VAL A 85 -4.460 -14.995 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.115 -12.450 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.295 -13.952 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.692 -12.110 -6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.161 -11.559 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.942 -11.209 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.786 -14.002 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.042 -13.209 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.323 -14.838 -4.936 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.886 -11.026 -7.165 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.481 -10.181 -8.187 1.00 0.00 C ATOM 1327 C ALA A 86 -4.373 -9.447 -8.945 1.00 0.00 C ATOM 1328 O ALA A 86 -4.533 -9.119 -10.119 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.480 -9.221 -7.537 1.00 0.00 C ATOM 0 H ALA A 86 -4.724 -10.563 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.031 -10.782 -8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.927 -8.587 -8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.262 -9.793 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.964 -8.598 -6.806 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.276 -9.211 -8.241 1.00 0.00 N ATOM 1336 CA ALA A 87 -2.142 -8.521 -8.833 1.00 0.00 C ATOM 1337 C ALA A 87 -0.990 -8.486 -7.828 1.00 0.00 C ATOM 1338 O ALA A 87 -1.217 -8.458 -6.618 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.571 -7.120 -9.277 1.00 0.00 C ATOM 0 H ALA A 87 -3.148 -9.485 -7.267 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.791 -9.051 -9.719 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.720 -6.603 -9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.371 -7.201 -10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.927 -6.558 -8.414 1.00 0.00 H new ATOM 1345 N PHE A 88 0.222 -8.490 -8.363 1.00 0.00 N ATOM 1346 CA PHE A 88 1.410 -8.458 -7.527 1.00 0.00 C ATOM 1347 C PHE A 88 2.396 -7.395 -8.016 1.00 0.00 C ATOM 1348 O PHE A 88 3.168 -7.639 -8.941 1.00 0.00 O ATOM 1349 CB PHE A 88 2.068 -9.835 -7.635 1.00 0.00 C ATOM 1350 CG PHE A 88 2.468 -10.441 -6.287 1.00 0.00 C ATOM 1351 CD1 PHE A 88 1.522 -10.673 -5.339 1.00 0.00 C ATOM 1352 CD2 PHE A 88 3.770 -10.746 -6.039 1.00 0.00 C ATOM 1353 CE1 PHE A 88 1.893 -11.235 -4.088 1.00 0.00 C ATOM 1354 CE2 PHE A 88 4.141 -11.307 -4.788 1.00 0.00 C ATOM 1355 CZ PHE A 88 3.195 -11.540 -3.840 1.00 0.00 C ATOM 0 H PHE A 88 0.407 -8.515 -9.366 1.00 0.00 H new ATOM 0 HA PHE A 88 1.137 -8.216 -6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.382 -10.516 -8.139 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.955 -9.754 -8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.488 -10.430 -5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.521 -10.562 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.142 -11.420 -3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.175 -11.548 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.477 -11.968 -2.889 1.00 0.00 H new ATOM 1365 N ASN A 89 2.339 -6.240 -7.370 1.00 0.00 N ATOM 1366 CA ASN A 89 3.217 -5.139 -7.727 1.00 0.00 C ATOM 1367 C ASN A 89 3.435 -4.248 -6.503 1.00 0.00 C ATOM 1368 O ASN A 89 2.748 -4.396 -5.493 1.00 0.00 O ATOM 1369 CB ASN A 89 2.602 -4.280 -8.834 1.00 0.00 C ATOM 1370 CG ASN A 89 1.238 -3.731 -8.409 1.00 0.00 C ATOM 1371 OD1 ASN A 89 0.757 -3.973 -7.314 1.00 0.00 O ATOM 1372 ND2 ASN A 89 0.645 -2.982 -9.333 1.00 0.00 N ATOM 0 H ASN A 89 1.698 -6.043 -6.601 1.00 0.00 H new ATOM 0 HA ASN A 89 4.159 -5.560 -8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.272 -3.454 -9.073 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.492 -4.874 -9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.269 -2.570 -9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.104 -2.819 -10.229 1.00 0.00 H new ATOM 1379 N LYS A 90 4.393 -3.342 -6.632 1.00 0.00 N ATOM 1380 CA LYS A 90 4.709 -2.427 -5.549 1.00 0.00 C ATOM 1381 C LYS A 90 3.652 -1.323 -5.496 1.00 0.00 C ATOM 1382 O LYS A 90 2.885 -1.106 -6.432 1.00 0.00 O ATOM 1383 CB LYS A 90 6.139 -1.903 -5.691 1.00 0.00 C ATOM 1384 CG LYS A 90 6.535 -1.057 -4.479 1.00 0.00 C ATOM 1385 CD LYS A 90 7.969 -0.539 -4.617 1.00 0.00 C ATOM 1386 CE LYS A 90 8.053 0.568 -5.670 1.00 0.00 C ATOM 1387 NZ LYS A 90 8.529 1.829 -5.060 1.00 0.00 N ATOM 0 H LYS A 90 4.961 -3.222 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 90 4.678 -2.945 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.829 -2.741 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.223 -1.306 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.849 -0.216 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.445 -1.652 -3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.316 -0.159 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.631 -1.360 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.729 0.266 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.073 0.723 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.580 2.569 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.869 2.124 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.473 1.681 -4.650 1.00 0.00 H new ATOM 1401 N ILE A 91 3.628 -0.619 -4.361 1.00 0.00 N ATOM 1402 CA ILE A 91 2.688 0.463 -4.149 1.00 0.00 C ATOM 1403 C ILE A 91 3.438 1.785 -4.051 1.00 0.00 C ATOM 1404 O ILE A 91 4.638 1.801 -3.783 1.00 0.00 O ATOM 1405 CB ILE A 91 1.887 0.200 -2.877 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.869 1.320 -2.676 1.00 0.00 C ATOM 1407 CG2 ILE A 91 2.833 0.151 -1.682 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.531 0.721 -2.577 1.00 0.00 C ATOM 1409 OXT ILE A 91 2.851 2.850 -4.243 1.00 0.00 O ATOM 0 H ILE A 91 4.257 -0.788 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 91 1.998 0.520 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 91 1.365 -0.753 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.102 1.880 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.917 2.024 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.262 -0.037 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.560 -0.649 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.355 1.104 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.259 1.519 -2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.761 0.181 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.574 0.034 -1.731 1.00 0.00 H new