USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 917 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 83 ASN : amide:sc= -1.45 K(o=-2.8,f=-7.5!) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.36 K(o=-2.8,f=-3.7) USER MOD Set 2.1: A 35 GLN : amide:sc= -0.423 X(o=-0.92,f=-1.1) USER MOD Set 2.2: A 37 TYR OH : rot -136:sc= -0.502 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 37:sc= 0.643 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= -3.61! (180deg=-4.49!) USER MOD Single : A 11 MET CE :methyl -134:sc= -3.29 (180deg=-7.24!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= 0.161 (180deg=-0.375) USER MOD Single : A 17 GLN : amide:sc=-0.00354 X(o=-0.0035,f=-0.018) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00067 K(o=-0.00067,f=-1.9) USER MOD Single : A 25 GLN : amide:sc= -0.189 K(o=-0.19,f=-5!) USER MOD Single : A 26 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.4!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.41) USER MOD Single : A 50 CYS SG : rot 18:sc= 1.08 USER MOD Single : A 51 MET CE :methyl -166:sc= -1.39 (180deg=-2.38!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 92:sc= -1.11! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -80:sc= -0.378 USER MOD Single : A 64 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 27:sc= -0.0527 USER MOD Single : A 90 TYR OH : rot -133:sc= 0.314 USER MOD Single : A 93 MET CE :methyl -123:sc= -5.77! (180deg=-9.15!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.455 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 100 MET CE :methyl 146:sc= -0.451 (180deg=-1.95!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.906 22.560 3.890 1.00 0.00 N ATOM 2 CA GLY A 1 -18.312 22.899 5.243 1.00 0.00 C ATOM 3 C GLY A 1 -17.138 22.772 6.216 1.00 0.00 C ATOM 4 O GLY A 1 -16.237 23.610 6.219 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.720 22.654 3.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.148 23.203 3.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.559 21.580 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.699 23.918 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.123 22.243 5.558 1.00 0.00 H new ATOM 8 N SER A 2 -17.187 21.719 7.019 1.00 0.00 N ATOM 9 CA SER A 2 -16.138 21.473 7.994 1.00 0.00 C ATOM 10 C SER A 2 -15.925 19.968 8.165 1.00 0.00 C ATOM 11 O SER A 2 -16.886 19.200 8.189 1.00 0.00 O ATOM 12 CB SER A 2 -16.476 22.117 9.340 1.00 0.00 C ATOM 13 OG SER A 2 -17.719 21.651 9.858 1.00 0.00 O ATOM 0 H SER A 2 -17.936 21.027 7.014 1.00 0.00 H new ATOM 0 HA SER A 2 -15.217 21.924 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.682 21.901 10.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.515 23.200 9.224 1.00 0.00 H new ATOM 0 HG SER A 2 -17.898 22.084 10.719 1.00 0.00 H new ATOM 19 N SER A 3 -14.660 19.590 8.278 1.00 0.00 N ATOM 20 CA SER A 3 -14.309 18.190 8.445 1.00 0.00 C ATOM 21 C SER A 3 -13.395 18.022 9.660 1.00 0.00 C ATOM 22 O SER A 3 -13.733 17.303 10.600 1.00 0.00 O ATOM 23 CB SER A 3 -13.630 17.639 7.190 1.00 0.00 C ATOM 24 OG SER A 3 -13.828 16.235 7.049 1.00 0.00 O ATOM 0 H SER A 3 -13.865 20.229 8.257 1.00 0.00 H new ATOM 0 HA SER A 3 -15.226 17.624 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.022 18.151 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.562 17.852 7.232 1.00 0.00 H new ATOM 0 HG SER A 3 -13.381 15.922 6.235 1.00 0.00 H new ATOM 30 N GLY A 4 -12.256 18.696 9.602 1.00 0.00 N ATOM 31 CA GLY A 4 -11.291 18.629 10.686 1.00 0.00 C ATOM 32 C GLY A 4 -10.375 17.414 10.531 1.00 0.00 C ATOM 33 O GLY A 4 -9.648 17.301 9.545 1.00 0.00 O ATOM 0 H GLY A 4 -11.980 19.291 8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.693 19.540 10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.814 18.575 11.641 1.00 0.00 H new ATOM 37 N SER A 5 -10.439 16.535 11.520 1.00 0.00 N ATOM 38 CA SER A 5 -9.624 15.332 11.506 1.00 0.00 C ATOM 39 C SER A 5 -8.214 15.661 11.012 1.00 0.00 C ATOM 40 O SER A 5 -7.937 15.580 9.817 1.00 0.00 O ATOM 41 CB SER A 5 -10.255 14.249 10.628 1.00 0.00 C ATOM 42 OG SER A 5 -10.512 14.716 9.307 1.00 0.00 O ATOM 0 H SER A 5 -11.043 16.632 12.336 1.00 0.00 H new ATOM 0 HA SER A 5 -9.565 14.947 12.524 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.592 13.385 10.585 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.187 13.912 11.081 1.00 0.00 H new ATOM 0 HG SER A 5 -9.789 15.314 9.025 1.00 0.00 H new ATOM 48 N SER A 6 -7.360 16.024 11.958 1.00 0.00 N ATOM 49 CA SER A 6 -5.985 16.365 11.634 1.00 0.00 C ATOM 50 C SER A 6 -5.161 15.091 11.442 1.00 0.00 C ATOM 51 O SER A 6 -4.522 14.910 10.407 1.00 0.00 O ATOM 52 CB SER A 6 -5.364 17.241 12.723 1.00 0.00 C ATOM 53 OG SER A 6 -5.051 18.546 12.245 1.00 0.00 O ATOM 0 H SER A 6 -7.594 16.089 12.949 1.00 0.00 H new ATOM 0 HA SER A 6 -5.983 16.934 10.704 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.054 17.319 13.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.458 16.765 13.098 1.00 0.00 H new ATOM 0 HG SER A 6 -4.658 19.075 12.971 1.00 0.00 H new ATOM 59 N GLY A 7 -5.202 14.240 12.457 1.00 0.00 N ATOM 60 CA GLY A 7 -4.467 12.987 12.414 1.00 0.00 C ATOM 61 C GLY A 7 -4.827 12.182 11.164 1.00 0.00 C ATOM 62 O GLY A 7 -5.508 12.687 10.271 1.00 0.00 O ATOM 0 H GLY A 7 -5.733 14.394 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.396 13.189 12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.689 12.400 13.305 1.00 0.00 H new ATOM 66 N PRO A 8 -4.343 10.912 11.138 1.00 0.00 N ATOM 67 CA PRO A 8 -4.608 10.032 10.012 1.00 0.00 C ATOM 68 C PRO A 8 -6.049 9.519 10.044 1.00 0.00 C ATOM 69 O PRO A 8 -6.844 9.943 10.881 1.00 0.00 O ATOM 70 CB PRO A 8 -3.579 8.920 10.132 1.00 0.00 C ATOM 71 CG PRO A 8 -3.082 8.964 11.568 1.00 0.00 C ATOM 72 CD PRO A 8 -3.534 10.281 12.177 1.00 0.00 C ATOM 0 HA PRO A 8 -4.517 10.539 9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.022 7.951 9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.759 9.070 9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.481 8.124 12.136 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.996 8.882 11.599 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.113 10.119 13.086 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.682 10.904 12.449 1.00 0.00 H new ATOM 80 N ILE A 9 -6.342 8.615 9.121 1.00 0.00 N ATOM 81 CA ILE A 9 -7.673 8.040 9.032 1.00 0.00 C ATOM 82 C ILE A 9 -7.595 6.538 9.313 1.00 0.00 C ATOM 83 O ILE A 9 -8.445 5.988 10.012 1.00 0.00 O ATOM 84 CB ILE A 9 -8.316 8.381 7.687 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.542 9.888 7.553 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.607 7.587 7.478 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.317 10.351 6.113 1.00 0.00 C ATOM 0 H ILE A 9 -5.680 8.266 8.428 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.326 8.473 9.790 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.626 8.087 6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.557 10.136 7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.865 10.421 8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.043 7.849 6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.385 6.520 7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.314 7.826 8.273 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.484 11.426 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.294 10.124 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.012 9.834 5.452 1.00 0.00 H new ATOM 99 N LYS A 10 -6.567 5.916 8.754 1.00 0.00 N ATOM 100 CA LYS A 10 -6.367 4.489 8.936 1.00 0.00 C ATOM 101 C LYS A 10 -4.872 4.204 9.092 1.00 0.00 C ATOM 102 O LYS A 10 -4.064 4.644 8.276 1.00 0.00 O ATOM 103 CB LYS A 10 -7.026 3.706 7.798 1.00 0.00 C ATOM 104 CG LYS A 10 -6.728 2.210 7.917 1.00 0.00 C ATOM 105 CD LYS A 10 -7.948 1.375 7.521 1.00 0.00 C ATOM 106 CE LYS A 10 -8.079 1.283 6.000 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.843 2.605 5.378 1.00 0.00 N ATOM 0 H LYS A 10 -5.864 6.375 8.175 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.854 4.150 9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.104 3.868 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.664 4.077 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.883 1.952 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.438 1.974 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.861 0.374 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.850 1.820 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.364 0.559 5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.073 0.923 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.051 2.552 4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.462 3.313 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.849 2.880 5.514 1.00 0.00 H new ATOM 121 N MET A 11 -4.549 3.468 10.146 1.00 0.00 N ATOM 122 CA MET A 11 -3.165 3.119 10.419 1.00 0.00 C ATOM 123 C MET A 11 -3.028 1.629 10.737 1.00 0.00 C ATOM 124 O MET A 11 -3.705 1.116 11.627 1.00 0.00 O ATOM 125 CB MET A 11 -2.655 3.943 11.603 1.00 0.00 C ATOM 126 CG MET A 11 -3.178 5.380 11.537 1.00 0.00 C ATOM 127 SD MET A 11 -4.451 5.623 12.764 1.00 0.00 S ATOM 128 CE MET A 11 -5.764 6.248 11.729 1.00 0.00 C ATOM 0 H MET A 11 -5.222 3.104 10.821 1.00 0.00 H new ATOM 0 HA MET A 11 -2.572 3.338 9.531 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.972 3.479 12.537 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.565 3.949 11.604 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.361 6.081 11.705 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.575 5.586 10.543 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.216 7.120 12.202 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.358 6.531 10.758 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.521 5.475 11.595 1.00 0.00 H new ATOM 138 N GLY A 12 -2.148 0.976 9.993 1.00 0.00 N ATOM 139 CA GLY A 12 -1.914 -0.445 10.185 1.00 0.00 C ATOM 140 C GLY A 12 -0.664 -0.902 9.430 1.00 0.00 C ATOM 141 O GLY A 12 0.194 -0.087 9.093 1.00 0.00 O ATOM 0 H GLY A 12 -1.588 1.405 9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.799 -0.658 11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.779 -1.010 9.838 1.00 0.00 H new ATOM 145 N TRP A 13 -0.600 -2.203 9.187 1.00 0.00 N ATOM 146 CA TRP A 13 0.531 -2.777 8.478 1.00 0.00 C ATOM 147 C TRP A 13 0.003 -3.445 7.207 1.00 0.00 C ATOM 148 O TRP A 13 -1.101 -3.988 7.200 1.00 0.00 O ATOM 149 CB TRP A 13 1.312 -3.737 9.378 1.00 0.00 C ATOM 150 CG TRP A 13 2.217 -3.039 10.395 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.867 -2.169 11.352 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.647 -3.190 10.518 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.962 -1.749 12.079 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.079 -2.390 11.556 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.547 -3.976 9.776 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.420 -2.298 11.947 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.883 -3.873 10.179 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.334 -3.073 11.222 1.00 0.00 C ATOM 0 H TRP A 13 -1.313 -2.876 9.469 1.00 0.00 H new ATOM 0 HA TRP A 13 1.242 -2.001 8.194 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.606 -4.374 9.912 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.921 -4.390 8.753 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.855 -1.838 11.532 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.953 -1.089 12.857 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.232 -4.609 8.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.733 -1.664 12.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.616 -4.457 9.641 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.384 -3.049 11.472 1.00 0.00 H new ATOM 169 N LEU A 14 0.816 -3.383 6.163 1.00 0.00 N ATOM 170 CA LEU A 14 0.444 -3.976 4.889 1.00 0.00 C ATOM 171 C LEU A 14 1.700 -4.496 4.188 1.00 0.00 C ATOM 172 O LEU A 14 2.811 -4.069 4.499 1.00 0.00 O ATOM 173 CB LEU A 14 -0.361 -2.981 4.051 1.00 0.00 C ATOM 174 CG LEU A 14 -1.830 -2.808 4.443 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.374 -1.466 3.949 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.673 -3.985 3.949 1.00 0.00 C ATOM 0 H LEU A 14 1.731 -2.932 6.173 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.213 -4.832 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.127 -2.008 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.318 -3.296 3.008 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.894 -2.802 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.420 -1.368 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.796 -0.654 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.294 -1.419 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.712 -3.836 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.607 -4.049 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.301 -4.910 4.390 1.00 0.00 H new ATOM 188 N LYS A 15 1.482 -5.411 3.255 1.00 0.00 N ATOM 189 CA LYS A 15 2.583 -5.994 2.506 1.00 0.00 C ATOM 190 C LYS A 15 2.708 -5.286 1.156 1.00 0.00 C ATOM 191 O LYS A 15 1.782 -5.319 0.346 1.00 0.00 O ATOM 192 CB LYS A 15 2.410 -7.510 2.393 1.00 0.00 C ATOM 193 CG LYS A 15 3.445 -8.246 3.245 1.00 0.00 C ATOM 194 CD LYS A 15 3.495 -9.732 2.885 1.00 0.00 C ATOM 195 CE LYS A 15 3.087 -10.599 4.078 1.00 0.00 C ATOM 196 NZ LYS A 15 3.810 -11.891 4.051 1.00 0.00 N ATOM 0 H LYS A 15 0.559 -5.763 3.000 1.00 0.00 H new ATOM 0 HA LYS A 15 3.525 -5.842 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.406 -7.790 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.509 -7.814 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.428 -7.799 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.199 -8.132 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.830 -9.929 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.502 -9.999 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.304 -10.074 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.012 -10.777 4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.522 -12.467 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.583 -12.398 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.834 -11.717 4.095 1.00 0.00 H new ATOM 210 N LYS A 16 3.859 -4.663 0.955 1.00 0.00 N ATOM 211 CA LYS A 16 4.117 -3.948 -0.284 1.00 0.00 C ATOM 212 C LYS A 16 5.249 -4.644 -1.043 1.00 0.00 C ATOM 213 O LYS A 16 6.256 -5.026 -0.449 1.00 0.00 O ATOM 214 CB LYS A 16 4.384 -2.468 -0.003 1.00 0.00 C ATOM 215 CG LYS A 16 4.816 -1.737 -1.276 1.00 0.00 C ATOM 216 CD LYS A 16 5.740 -0.563 -0.947 1.00 0.00 C ATOM 217 CE LYS A 16 5.904 0.360 -2.156 1.00 0.00 C ATOM 218 NZ LYS A 16 6.086 -0.432 -3.393 1.00 0.00 N ATOM 0 H LYS A 16 4.624 -4.638 1.629 1.00 0.00 H new ATOM 0 HA LYS A 16 3.238 -3.973 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.485 -2.003 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.160 -2.373 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.328 -2.431 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.936 -1.374 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.333 0.000 -0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.715 -0.939 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.028 1.001 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.763 1.015 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.585 0.142 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.645 -1.283 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.156 -0.712 -3.766 1.00 0.00 H new ATOM 232 N GLN A 17 5.045 -4.787 -2.344 1.00 0.00 N ATOM 233 CA GLN A 17 6.035 -5.430 -3.191 1.00 0.00 C ATOM 234 C GLN A 17 7.304 -4.578 -3.264 1.00 0.00 C ATOM 235 O GLN A 17 7.231 -3.362 -3.436 1.00 0.00 O ATOM 236 CB GLN A 17 5.472 -5.696 -4.588 1.00 0.00 C ATOM 237 CG GLN A 17 6.140 -6.917 -5.225 1.00 0.00 C ATOM 238 CD GLN A 17 5.159 -7.672 -6.124 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.807 -7.234 -7.207 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.740 -8.827 -5.617 1.00 0.00 N ATOM 0 H GLN A 17 4.208 -4.468 -2.833 1.00 0.00 H new ATOM 0 HA GLN A 17 6.292 -6.393 -2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.396 -5.857 -4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.627 -4.821 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.004 -6.600 -5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.510 -7.582 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.075 -9.135 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.084 -9.406 -6.141 1.00 0.00 H new ATOM 249 N ARG A 18 8.438 -5.250 -3.131 1.00 0.00 N ATOM 250 CA ARG A 18 9.721 -4.569 -3.180 1.00 0.00 C ATOM 251 C ARG A 18 9.877 -3.825 -4.508 1.00 0.00 C ATOM 252 O ARG A 18 8.943 -3.771 -5.306 1.00 0.00 O ATOM 253 CB ARG A 18 10.876 -5.560 -3.021 1.00 0.00 C ATOM 254 CG ARG A 18 11.910 -5.040 -2.020 1.00 0.00 C ATOM 255 CD ARG A 18 13.282 -4.883 -2.681 1.00 0.00 C ATOM 256 NE ARG A 18 14.318 -5.545 -1.858 1.00 0.00 N ATOM 257 CZ ARG A 18 15.636 -5.370 -2.026 1.00 0.00 C ATOM 258 NH1 ARG A 18 16.086 -4.553 -2.988 1.00 0.00 N ATOM 259 NH2 ARG A 18 16.504 -6.012 -1.232 1.00 0.00 N ATOM 0 H ARG A 18 8.495 -6.258 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 18 9.750 -3.857 -2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.491 -6.522 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.352 -5.728 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.583 -4.080 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.985 -5.728 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.266 -5.319 -3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.520 -3.826 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 18 14.010 -6.174 -1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.425 -4.064 -3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.089 -4.420 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.162 -6.634 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.507 -5.879 -1.360 1.00 0.00 H new ATOM 273 N SER A 19 11.064 -3.269 -4.703 1.00 0.00 N ATOM 274 CA SER A 19 11.353 -2.531 -5.920 1.00 0.00 C ATOM 275 C SER A 19 10.920 -3.343 -7.141 1.00 0.00 C ATOM 276 O SER A 19 9.759 -3.293 -7.544 1.00 0.00 O ATOM 277 CB SER A 19 12.841 -2.185 -6.013 1.00 0.00 C ATOM 278 OG SER A 19 13.181 -1.065 -5.200 1.00 0.00 O ATOM 0 H SER A 19 11.836 -3.315 -4.038 1.00 0.00 H new ATOM 0 HA SER A 19 10.791 -1.598 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.433 -3.048 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.099 -1.972 -7.050 1.00 0.00 H new ATOM 0 HG SER A 19 14.139 -0.877 -5.286 1.00 0.00 H new ATOM 284 N ILE A 20 11.876 -4.073 -7.696 1.00 0.00 N ATOM 285 CA ILE A 20 11.607 -4.896 -8.864 1.00 0.00 C ATOM 286 C ILE A 20 11.921 -6.357 -8.536 1.00 0.00 C ATOM 287 O ILE A 20 13.029 -6.829 -8.787 1.00 0.00 O ATOM 288 CB ILE A 20 12.365 -4.362 -10.081 1.00 0.00 C ATOM 289 CG1 ILE A 20 12.491 -2.838 -10.024 1.00 0.00 C ATOM 290 CG2 ILE A 20 11.715 -4.835 -11.383 1.00 0.00 C ATOM 291 CD1 ILE A 20 13.099 -2.289 -11.316 1.00 0.00 C ATOM 0 H ILE A 20 12.838 -4.112 -7.359 1.00 0.00 H new ATOM 0 HA ILE A 20 10.551 -4.848 -9.129 1.00 0.00 H new ATOM 0 HB ILE A 20 13.376 -4.769 -10.059 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.509 -2.394 -9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 20 13.113 -2.552 -9.175 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.273 -4.441 -12.232 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.721 -5.924 -11.418 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.687 -4.477 -11.427 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.177 -1.204 -11.249 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.091 -2.716 -11.461 1.00 0.00 H new ATOM 0 HD13 ILE A 20 12.462 -2.555 -12.160 1.00 0.00 H new ATOM 303 N VAL A 21 10.926 -7.032 -7.980 1.00 0.00 N ATOM 304 CA VAL A 21 11.082 -8.430 -7.616 1.00 0.00 C ATOM 305 C VAL A 21 9.794 -8.928 -6.957 1.00 0.00 C ATOM 306 O VAL A 21 9.076 -8.154 -6.325 1.00 0.00 O ATOM 307 CB VAL A 21 12.314 -8.604 -6.726 1.00 0.00 C ATOM 308 CG1 VAL A 21 12.584 -7.339 -5.909 1.00 0.00 C ATOM 309 CG2 VAL A 21 12.164 -9.824 -5.814 1.00 0.00 C ATOM 0 H VAL A 21 10.009 -6.637 -7.773 1.00 0.00 H new ATOM 0 HA VAL A 21 11.250 -9.039 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 21 13.174 -8.774 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.465 -7.490 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.756 -6.500 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.723 -7.124 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.053 -9.925 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.288 -9.697 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.043 -10.720 -6.422 1.00 0.00 H new ATOM 319 N LYS A 22 9.539 -10.217 -7.127 1.00 0.00 N ATOM 320 CA LYS A 22 8.350 -10.827 -6.558 1.00 0.00 C ATOM 321 C LYS A 22 8.586 -11.103 -5.071 1.00 0.00 C ATOM 322 O LYS A 22 8.790 -12.250 -4.674 1.00 0.00 O ATOM 323 CB LYS A 22 7.949 -12.067 -7.358 1.00 0.00 C ATOM 324 CG LYS A 22 6.566 -12.568 -6.935 1.00 0.00 C ATOM 325 CD LYS A 22 5.494 -12.126 -7.933 1.00 0.00 C ATOM 326 CE LYS A 22 4.785 -13.335 -8.548 1.00 0.00 C ATOM 327 NZ LYS A 22 4.281 -13.007 -9.901 1.00 0.00 N ATOM 0 H LYS A 22 10.136 -10.856 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 22 7.502 -10.145 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.945 -11.832 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.687 -12.855 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.575 -13.656 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.324 -12.186 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.765 -11.489 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.951 -11.528 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.474 -14.178 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.957 -13.642 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.803 -13.838 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.608 -12.216 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.078 -12.736 -10.512 1.00 0.00 H new ATOM 341 N ASN A 23 8.552 -10.034 -4.290 1.00 0.00 N ATOM 342 CA ASN A 23 8.759 -10.147 -2.857 1.00 0.00 C ATOM 343 C ASN A 23 7.857 -9.144 -2.134 1.00 0.00 C ATOM 344 O ASN A 23 7.767 -7.984 -2.535 1.00 0.00 O ATOM 345 CB ASN A 23 10.210 -9.832 -2.484 1.00 0.00 C ATOM 346 CG ASN A 23 11.064 -11.102 -2.485 1.00 0.00 C ATOM 347 OD1 ASN A 23 11.316 -11.710 -3.512 1.00 0.00 O ATOM 348 ND2 ASN A 23 11.493 -11.466 -1.280 1.00 0.00 N ATOM 0 H ASN A 23 8.384 -9.085 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 23 8.524 -11.170 -2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.623 -9.111 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.243 -9.368 -1.498 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.070 -12.300 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.245 -10.911 -0.461 1.00 0.00 H new ATOM 355 N TRP A 24 7.213 -9.627 -1.083 1.00 0.00 N ATOM 356 CA TRP A 24 6.321 -8.788 -0.301 1.00 0.00 C ATOM 357 C TRP A 24 7.068 -8.352 0.962 1.00 0.00 C ATOM 358 O TRP A 24 7.690 -9.173 1.633 1.00 0.00 O ATOM 359 CB TRP A 24 5.009 -9.514 0.001 1.00 0.00 C ATOM 360 CG TRP A 24 4.243 -9.959 -1.246 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.369 -11.108 -1.925 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.220 -9.213 -1.940 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.506 -11.156 -3.001 1.00 0.00 N ATOM 364 CE2 TRP A 24 2.786 -9.967 -3.010 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.681 -7.943 -1.671 1.00 0.00 C ATOM 366 CZ2 TRP A 24 1.792 -9.537 -3.898 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.689 -7.527 -2.567 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.240 -8.274 -3.650 1.00 0.00 C ATOM 0 H TRP A 24 7.291 -10.589 -0.754 1.00 0.00 H new ATOM 0 HA TRP A 24 6.038 -7.898 -0.863 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.223 -10.389 0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.370 -8.858 0.592 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.059 -11.897 -1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.414 -11.923 -3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.006 -7.336 -0.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.469 -10.146 -4.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.241 -6.558 -2.405 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.469 -7.882 -4.297 1.00 0.00 H new ATOM 379 N GLN A 25 6.981 -7.061 1.246 1.00 0.00 N ATOM 380 CA GLN A 25 7.640 -6.507 2.416 1.00 0.00 C ATOM 381 C GLN A 25 6.607 -5.919 3.380 1.00 0.00 C ATOM 382 O GLN A 25 5.942 -4.936 3.058 1.00 0.00 O ATOM 383 CB GLN A 25 8.676 -5.454 2.015 1.00 0.00 C ATOM 384 CG GLN A 25 9.978 -5.641 2.796 1.00 0.00 C ATOM 385 CD GLN A 25 11.194 -5.465 1.885 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.781 -4.399 1.789 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.538 -6.566 1.224 1.00 0.00 N ATOM 0 H GLN A 25 6.464 -6.383 0.686 1.00 0.00 H new ATOM 0 HA GLN A 25 8.167 -7.313 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.876 -5.524 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.277 -4.457 2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.023 -4.920 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.997 -6.634 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.003 -7.425 1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.337 -6.552 0.590 1.00 0.00 H new ATOM 396 N GLN A 26 6.504 -6.547 4.542 1.00 0.00 N ATOM 397 CA GLN A 26 5.563 -6.099 5.554 1.00 0.00 C ATOM 398 C GLN A 26 6.010 -4.757 6.138 1.00 0.00 C ATOM 399 O GLN A 26 6.937 -4.705 6.945 1.00 0.00 O ATOM 400 CB GLN A 26 5.401 -7.149 6.655 1.00 0.00 C ATOM 401 CG GLN A 26 4.194 -6.832 7.541 1.00 0.00 C ATOM 402 CD GLN A 26 3.260 -8.039 7.647 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.651 -9.178 7.453 1.00 0.00 O ATOM 404 NE2 GLN A 26 2.007 -7.727 7.965 1.00 0.00 N ATOM 0 H GLN A 26 7.057 -7.363 4.805 1.00 0.00 H new ATOM 0 HA GLN A 26 4.590 -5.962 5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.279 -8.135 6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.304 -7.185 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.534 -6.542 8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.650 -5.982 7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.746 -6.752 8.114 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.307 -8.462 8.060 1.00 0.00 H new ATOM 413 N ARG A 27 5.331 -3.705 5.707 1.00 0.00 N ATOM 414 CA ARG A 27 5.646 -2.367 6.177 1.00 0.00 C ATOM 415 C ARG A 27 4.394 -1.694 6.744 1.00 0.00 C ATOM 416 O ARG A 27 3.275 -2.102 6.440 1.00 0.00 O ATOM 417 CB ARG A 27 6.212 -1.505 5.046 1.00 0.00 C ATOM 418 CG ARG A 27 7.604 -1.987 4.634 1.00 0.00 C ATOM 419 CD ARG A 27 8.606 -0.830 4.630 1.00 0.00 C ATOM 420 NE ARG A 27 9.132 -0.620 3.263 1.00 0.00 N ATOM 421 CZ ARG A 27 10.179 -1.281 2.751 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.818 -2.198 3.490 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.587 -1.025 1.501 1.00 0.00 N ATOM 0 H ARG A 27 4.563 -3.752 5.037 1.00 0.00 H new ATOM 0 HA ARG A 27 6.399 -2.460 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.542 -1.540 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.264 -0.465 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.942 -2.763 5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.558 -2.437 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.124 0.080 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.426 -1.046 5.315 1.00 0.00 H new ATOM 0 HE ARG A 27 8.668 0.071 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.507 -2.393 4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.615 -2.701 3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.101 -0.327 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.384 -1.528 1.112 1.00 0.00 H new ATOM 437 N TYR A 28 4.626 -0.675 7.559 1.00 0.00 N ATOM 438 CA TYR A 28 3.531 0.058 8.171 1.00 0.00 C ATOM 439 C TYR A 28 2.910 1.045 7.180 1.00 0.00 C ATOM 440 O TYR A 28 3.613 1.866 6.594 1.00 0.00 O ATOM 441 CB TYR A 28 4.146 0.840 9.334 1.00 0.00 C ATOM 442 CG TYR A 28 3.168 1.128 10.475 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.889 1.564 10.195 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.566 0.951 11.785 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.970 1.834 11.270 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.646 1.222 12.860 1.00 0.00 C ATOM 447 CZ TYR A 28 1.394 1.651 12.549 1.00 0.00 C ATOM 448 OH TYR A 28 0.525 1.906 13.563 1.00 0.00 O ATOM 0 H TYR A 28 5.556 -0.340 7.810 1.00 0.00 H new ATOM 0 HA TYR A 28 2.745 -0.625 8.495 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.993 0.279 9.728 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.537 1.785 8.957 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.578 1.703 9.170 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.567 0.609 12.004 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.034 2.174 11.065 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.944 1.087 13.889 1.00 0.00 H new ATOM 0 HH TYR A 28 0.964 1.731 14.422 1.00 0.00 H new ATOM 458 N PHE A 29 1.599 0.931 7.025 1.00 0.00 N ATOM 459 CA PHE A 29 0.875 1.803 6.115 1.00 0.00 C ATOM 460 C PHE A 29 -0.140 2.662 6.871 1.00 0.00 C ATOM 461 O PHE A 29 -1.056 2.136 7.502 1.00 0.00 O ATOM 462 CB PHE A 29 0.130 0.901 5.130 1.00 0.00 C ATOM 463 CG PHE A 29 0.891 0.636 3.829 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.785 -0.387 3.760 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.674 1.424 2.742 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.492 -0.632 2.553 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.381 1.179 1.535 1.00 0.00 C ATOM 468 CZ PHE A 29 2.275 0.156 1.466 1.00 0.00 C ATOM 0 H PHE A 29 1.020 0.249 7.514 1.00 0.00 H new ATOM 0 HA PHE A 29 1.570 2.472 5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.082 -0.052 5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.830 1.358 4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.957 -1.013 4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.036 2.236 2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.202 -1.444 2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.209 1.805 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.812 -0.030 0.548 1.00 0.00 H new ATOM 478 N VAL A 30 0.056 3.969 6.782 1.00 0.00 N ATOM 479 CA VAL A 30 -0.832 4.906 7.449 1.00 0.00 C ATOM 480 C VAL A 30 -1.513 5.791 6.403 1.00 0.00 C ATOM 481 O VAL A 30 -0.938 6.068 5.351 1.00 0.00 O ATOM 482 CB VAL A 30 -0.055 5.707 8.496 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.871 6.906 8.985 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.368 4.817 9.666 1.00 0.00 C ATOM 0 H VAL A 30 0.817 4.402 6.258 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.618 4.373 7.984 1.00 0.00 H new ATOM 0 HB VAL A 30 0.850 6.088 8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.296 7.458 9.728 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.098 7.560 8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.801 6.555 9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.918 5.412 10.395 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.518 4.392 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.005 4.012 9.299 1.00 0.00 H new ATOM 494 N LEU A 31 -2.727 6.208 6.728 1.00 0.00 N ATOM 495 CA LEU A 31 -3.492 7.056 5.830 1.00 0.00 C ATOM 496 C LEU A 31 -3.739 8.410 6.499 1.00 0.00 C ATOM 497 O LEU A 31 -4.381 8.481 7.545 1.00 0.00 O ATOM 498 CB LEU A 31 -4.773 6.347 5.385 1.00 0.00 C ATOM 499 CG LEU A 31 -5.108 6.437 3.895 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.586 5.087 3.358 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.121 7.552 3.627 1.00 0.00 C ATOM 0 H LEU A 31 -3.200 5.975 7.601 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.929 7.250 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.695 5.294 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.608 6.760 5.950 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.197 6.694 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.817 5.179 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.802 4.343 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.480 4.776 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.342 7.594 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.039 7.350 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.705 8.507 3.950 1.00 0.00 H new ATOM 513 N ARG A 32 -3.216 9.450 5.867 1.00 0.00 N ATOM 514 CA ARG A 32 -3.372 10.797 6.388 1.00 0.00 C ATOM 515 C ARG A 32 -3.940 11.721 5.309 1.00 0.00 C ATOM 516 O ARG A 32 -3.450 11.739 4.180 1.00 0.00 O ATOM 517 CB ARG A 32 -2.034 11.357 6.876 1.00 0.00 C ATOM 518 CG ARG A 32 -2.196 12.074 8.218 1.00 0.00 C ATOM 519 CD ARG A 32 -1.165 11.577 9.233 1.00 0.00 C ATOM 520 NE ARG A 32 -1.120 12.491 10.397 1.00 0.00 N ATOM 521 CZ ARG A 32 -0.296 12.336 11.442 1.00 0.00 C ATOM 522 NH1 ARG A 32 0.556 11.302 11.476 1.00 0.00 N ATOM 523 NH2 ARG A 32 -0.324 13.214 12.454 1.00 0.00 N ATOM 0 H ARG A 32 -2.684 9.387 4.999 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.062 10.749 7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.312 10.547 6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.634 12.050 6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.083 13.149 8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.202 11.907 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.421 10.570 9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.181 11.520 8.767 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.756 13.288 10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.577 10.633 10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.183 11.184 12.272 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.973 14.001 12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.303 13.096 13.249 1.00 0.00 H new ATOM 537 N ALA A 33 -4.965 12.467 5.693 1.00 0.00 N ATOM 538 CA ALA A 33 -5.605 13.392 4.773 1.00 0.00 C ATOM 539 C ALA A 33 -5.695 12.746 3.389 1.00 0.00 C ATOM 540 O ALA A 33 -5.971 11.553 3.273 1.00 0.00 O ATOM 541 CB ALA A 33 -4.829 14.710 4.752 1.00 0.00 C ATOM 0 H ALA A 33 -5.369 12.450 6.630 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.620 13.617 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.309 15.404 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.819 15.142 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.805 14.524 4.426 1.00 0.00 H new ATOM 547 N GLN A 34 -5.455 13.563 2.373 1.00 0.00 N ATOM 548 CA GLN A 34 -5.506 13.086 1.001 1.00 0.00 C ATOM 549 C GLN A 34 -4.120 12.620 0.550 1.00 0.00 C ATOM 550 O GLN A 34 -3.604 13.087 -0.464 1.00 0.00 O ATOM 551 CB GLN A 34 -6.053 14.166 0.065 1.00 0.00 C ATOM 552 CG GLN A 34 -7.386 14.713 0.579 1.00 0.00 C ATOM 553 CD GLN A 34 -7.761 16.009 -0.142 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.516 16.021 -1.100 1.00 0.00 O ATOM 555 NE2 GLN A 34 -7.193 17.097 0.371 1.00 0.00 N ATOM 0 H GLN A 34 -5.225 14.552 2.473 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.186 12.235 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.331 14.978 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.187 13.752 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.170 13.970 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.319 14.896 1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.570 17.016 1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.380 18.012 -0.039 1.00 0.00 H new ATOM 564 N GLN A 35 -3.557 11.705 1.326 1.00 0.00 N ATOM 565 CA GLN A 35 -2.241 11.170 1.019 1.00 0.00 C ATOM 566 C GLN A 35 -2.031 9.834 1.734 1.00 0.00 C ATOM 567 O GLN A 35 -2.572 9.614 2.817 1.00 0.00 O ATOM 568 CB GLN A 35 -1.144 12.170 1.389 1.00 0.00 C ATOM 569 CG GLN A 35 -0.636 12.910 0.150 1.00 0.00 C ATOM 570 CD GLN A 35 0.736 13.536 0.409 1.00 0.00 C ATOM 571 OE1 GLN A 35 0.892 14.444 1.209 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.719 13.001 -0.310 1.00 0.00 N ATOM 0 H GLN A 35 -3.988 11.321 2.167 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.181 10.997 -0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.530 12.888 2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.317 11.647 1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.571 12.218 -0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.347 13.687 -0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.519 12.243 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.672 13.349 -0.209 1.00 0.00 H new ATOM 581 N LEU A 36 -1.243 8.978 1.101 1.00 0.00 N ATOM 582 CA LEU A 36 -0.955 7.670 1.663 1.00 0.00 C ATOM 583 C LEU A 36 0.532 7.588 2.017 1.00 0.00 C ATOM 584 O LEU A 36 1.389 7.808 1.163 1.00 0.00 O ATOM 585 CB LEU A 36 -1.423 6.564 0.716 1.00 0.00 C ATOM 586 CG LEU A 36 -1.307 5.133 1.245 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.156 4.753 1.482 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.158 4.942 2.502 1.00 0.00 C ATOM 0 H LEU A 36 -0.795 9.165 0.204 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.513 7.522 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.465 6.751 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.848 6.636 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.697 4.456 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.210 3.731 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.707 4.824 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.594 5.432 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.057 3.916 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.821 5.629 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.203 5.144 2.268 1.00 0.00 H new ATOM 600 N TYR A 37 0.791 7.271 3.277 1.00 0.00 N ATOM 601 CA TYR A 37 2.159 7.157 3.754 1.00 0.00 C ATOM 602 C TYR A 37 2.439 5.751 4.287 1.00 0.00 C ATOM 603 O TYR A 37 1.512 4.976 4.521 1.00 0.00 O ATOM 604 CB TYR A 37 2.290 8.160 4.902 1.00 0.00 C ATOM 605 CG TYR A 37 1.670 9.528 4.607 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.299 9.687 4.645 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.481 10.602 4.303 1.00 0.00 C ATOM 608 CE1 TYR A 37 -0.284 10.974 4.368 1.00 0.00 C ATOM 609 CE2 TYR A 37 1.897 11.889 4.026 1.00 0.00 C ATOM 610 CZ TYR A 37 0.544 12.011 4.072 1.00 0.00 C ATOM 611 OH TYR A 37 -0.007 13.227 3.810 1.00 0.00 O ATOM 0 H TYR A 37 0.077 7.089 3.982 1.00 0.00 H new ATOM 0 HA TYR A 37 2.864 7.351 2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.818 7.743 5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.346 8.294 5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.336 8.846 4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.553 10.478 4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.355 11.113 4.395 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.520 12.738 3.787 1.00 0.00 H new ATOM 0 HH TYR A 37 0.434 13.625 3.031 1.00 0.00 H new ATOM 621 N TYR A 38 3.720 5.464 4.463 1.00 0.00 N ATOM 622 CA TYR A 38 4.134 4.164 4.965 1.00 0.00 C ATOM 623 C TYR A 38 5.510 4.245 5.627 1.00 0.00 C ATOM 624 O TYR A 38 6.446 4.803 5.056 1.00 0.00 O ATOM 625 CB TYR A 38 4.222 3.249 3.742 1.00 0.00 C ATOM 626 CG TYR A 38 5.627 3.143 3.144 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.594 2.397 3.786 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.926 3.792 1.964 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.916 2.297 3.224 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.247 3.692 1.402 1.00 0.00 C ATOM 631 CZ TYR A 38 8.178 2.949 2.059 1.00 0.00 C ATOM 632 OH TYR A 38 9.426 2.855 1.528 1.00 0.00 O ATOM 0 H TYR A 38 4.485 6.109 4.267 1.00 0.00 H new ATOM 0 HA TYR A 38 3.429 3.798 5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.881 2.252 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.539 3.616 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.360 1.888 4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.168 4.375 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.683 1.717 3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.494 4.196 0.479 1.00 0.00 H new ATOM 0 HH TYR A 38 9.467 3.370 0.695 1.00 0.00 H new ATOM 642 N TYR A 39 5.591 3.679 6.822 1.00 0.00 N ATOM 643 CA TYR A 39 6.837 3.679 7.569 1.00 0.00 C ATOM 644 C TYR A 39 7.427 2.270 7.653 1.00 0.00 C ATOM 645 O TYR A 39 6.691 1.292 7.782 1.00 0.00 O ATOM 646 CB TYR A 39 6.485 4.157 8.978 1.00 0.00 C ATOM 647 CG TYR A 39 5.965 5.595 9.036 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.642 5.862 8.747 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.818 6.624 9.377 1.00 0.00 C ATOM 650 CE1 TYR A 39 4.153 7.216 8.802 1.00 0.00 C ATOM 651 CE2 TYR A 39 6.329 7.978 9.432 1.00 0.00 C ATOM 652 CZ TYR A 39 5.020 8.206 9.141 1.00 0.00 C ATOM 653 OH TYR A 39 4.558 9.485 9.193 1.00 0.00 O ATOM 0 H TYR A 39 4.813 3.217 7.292 1.00 0.00 H new ATOM 0 HA TYR A 39 7.575 4.318 7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.731 3.492 9.398 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.370 4.076 9.610 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.974 5.057 8.480 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.853 6.414 9.603 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.120 7.439 8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.986 8.793 9.698 1.00 0.00 H new ATOM 0 HH TYR A 39 5.288 10.086 9.450 1.00 0.00 H new ATOM 663 N LYS A 40 8.748 2.210 7.577 1.00 0.00 N ATOM 664 CA LYS A 40 9.444 0.936 7.644 1.00 0.00 C ATOM 665 C LYS A 40 8.972 0.166 8.878 1.00 0.00 C ATOM 666 O LYS A 40 8.687 -1.028 8.797 1.00 0.00 O ATOM 667 CB LYS A 40 10.958 1.150 7.594 1.00 0.00 C ATOM 668 CG LYS A 40 11.386 1.738 6.248 1.00 0.00 C ATOM 669 CD LYS A 40 12.646 1.047 5.723 1.00 0.00 C ATOM 670 CE LYS A 40 13.907 1.735 6.247 1.00 0.00 C ATOM 671 NZ LYS A 40 14.308 1.159 7.550 1.00 0.00 N ATOM 0 H LYS A 40 9.355 3.023 7.470 1.00 0.00 H new ATOM 0 HA LYS A 40 9.203 0.324 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.261 1.819 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.468 0.201 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.578 1.627 5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.571 2.807 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.645 0.001 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.646 1.061 4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.717 1.620 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.727 2.804 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.203 1.590 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.569 1.351 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.434 0.131 7.451 1.00 0.00 H new ATOM 685 N ASP A 41 8.904 0.880 9.992 1.00 0.00 N ATOM 686 CA ASP A 41 8.472 0.278 11.242 1.00 0.00 C ATOM 687 C ASP A 41 7.717 1.319 12.070 1.00 0.00 C ATOM 688 O ASP A 41 7.562 2.463 11.644 1.00 0.00 O ATOM 689 CB ASP A 41 9.668 -0.205 12.064 1.00 0.00 C ATOM 690 CG ASP A 41 10.879 0.731 12.054 1.00 0.00 C ATOM 691 OD1 ASP A 41 10.659 1.942 11.835 1.00 0.00 O ATOM 692 OD2 ASP A 41 11.997 0.214 12.266 1.00 0.00 O ATOM 0 H ASP A 41 9.141 1.870 10.055 1.00 0.00 H new ATOM 0 HA ASP A 41 7.833 -0.572 11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.347 -0.348 13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.978 -1.180 11.688 1.00 0.00 H new ATOM 697 N GLU A 42 7.268 0.887 13.240 1.00 0.00 N ATOM 698 CA GLU A 42 6.534 1.768 14.132 1.00 0.00 C ATOM 699 C GLU A 42 7.495 2.469 15.094 1.00 0.00 C ATOM 700 O GLU A 42 7.184 2.641 16.272 1.00 0.00 O ATOM 701 CB GLU A 42 5.456 0.998 14.897 1.00 0.00 C ATOM 702 CG GLU A 42 6.078 0.116 15.981 1.00 0.00 C ATOM 703 CD GLU A 42 5.803 0.684 17.375 1.00 0.00 C ATOM 704 OE1 GLU A 42 4.612 0.938 17.659 1.00 0.00 O ATOM 705 OE2 GLU A 42 6.789 0.850 18.125 1.00 0.00 O ATOM 0 H GLU A 42 7.399 -0.062 13.590 1.00 0.00 H new ATOM 0 HA GLU A 42 6.034 2.528 13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.756 1.699 15.351 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.884 0.380 14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.674 -0.894 15.910 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.154 0.041 15.821 1.00 0.00 H new ATOM 712 N GLU A 43 8.642 2.857 14.557 1.00 0.00 N ATOM 713 CA GLU A 43 9.650 3.536 15.353 1.00 0.00 C ATOM 714 C GLU A 43 9.967 4.907 14.752 1.00 0.00 C ATOM 715 O GLU A 43 9.790 5.932 15.409 1.00 0.00 O ATOM 716 CB GLU A 43 10.916 2.685 15.476 1.00 0.00 C ATOM 717 CG GLU A 43 11.266 2.431 16.943 1.00 0.00 C ATOM 718 CD GLU A 43 12.738 2.043 17.097 1.00 0.00 C ATOM 719 OE1 GLU A 43 13.094 0.957 16.592 1.00 0.00 O ATOM 720 OE2 GLU A 43 13.473 2.842 17.717 1.00 0.00 O ATOM 0 H GLU A 43 8.896 2.714 13.580 1.00 0.00 H new ATOM 0 HA GLU A 43 9.253 3.685 16.357 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.770 1.734 14.963 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.747 3.189 14.982 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.059 3.326 17.530 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.634 1.636 17.339 1.00 0.00 H new ATOM 727 N ASP A 44 10.428 4.881 13.510 1.00 0.00 N ATOM 728 CA ASP A 44 10.771 6.109 12.814 1.00 0.00 C ATOM 729 C ASP A 44 9.647 7.130 13.006 1.00 0.00 C ATOM 730 O ASP A 44 8.513 6.760 13.305 1.00 0.00 O ATOM 731 CB ASP A 44 10.935 5.863 11.312 1.00 0.00 C ATOM 732 CG ASP A 44 12.258 6.350 10.718 1.00 0.00 C ATOM 733 OD1 ASP A 44 13.301 5.793 11.124 1.00 0.00 O ATOM 734 OD2 ASP A 44 12.196 7.267 9.871 1.00 0.00 O ATOM 0 H ASP A 44 10.572 4.029 12.968 1.00 0.00 H new ATOM 0 HA ASP A 44 11.711 6.478 13.224 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.840 4.794 11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.116 6.354 10.787 1.00 0.00 H new ATOM 739 N THR A 45 10.002 8.393 12.826 1.00 0.00 N ATOM 740 CA THR A 45 9.038 9.470 12.976 1.00 0.00 C ATOM 741 C THR A 45 8.693 10.071 11.612 1.00 0.00 C ATOM 742 O THR A 45 7.602 10.605 11.423 1.00 0.00 O ATOM 743 CB THR A 45 9.616 10.489 13.960 1.00 0.00 C ATOM 744 OG1 THR A 45 10.928 10.743 13.466 1.00 0.00 O ATOM 745 CG2 THR A 45 9.851 9.893 15.350 1.00 0.00 C ATOM 0 H THR A 45 10.944 8.695 12.578 1.00 0.00 H new ATOM 0 HA THR A 45 8.096 9.103 13.382 1.00 0.00 H new ATOM 0 HB THR A 45 8.940 11.340 14.039 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.375 11.396 14.045 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.262 10.658 16.009 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.906 9.533 15.756 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.553 9.063 15.276 1.00 0.00 H new ATOM 753 N LYS A 46 9.645 9.964 10.696 1.00 0.00 N ATOM 754 CA LYS A 46 9.456 10.490 9.355 1.00 0.00 C ATOM 755 C LYS A 46 8.945 9.374 8.441 1.00 0.00 C ATOM 756 O LYS A 46 9.329 8.216 8.596 1.00 0.00 O ATOM 757 CB LYS A 46 10.739 11.155 8.854 1.00 0.00 C ATOM 758 CG LYS A 46 10.484 12.611 8.461 1.00 0.00 C ATOM 759 CD LYS A 46 10.996 13.568 9.540 1.00 0.00 C ATOM 760 CE LYS A 46 10.537 15.002 9.263 1.00 0.00 C ATOM 761 NZ LYS A 46 11.660 15.814 8.744 1.00 0.00 N ATOM 0 H LYS A 46 10.549 9.521 10.857 1.00 0.00 H new ATOM 0 HA LYS A 46 8.698 11.273 9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.502 11.113 9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.127 10.606 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.978 12.828 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.416 12.768 8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.633 13.248 10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.085 13.531 9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.721 14.996 8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.149 15.449 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.332 16.784 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.427 15.835 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.011 15.395 7.859 1.00 0.00 H new ATOM 775 N PRO A 47 8.063 9.772 7.485 1.00 0.00 N ATOM 776 CA PRO A 47 7.496 8.819 6.547 1.00 0.00 C ATOM 777 C PRO A 47 8.521 8.419 5.484 1.00 0.00 C ATOM 778 O PRO A 47 9.584 9.030 5.380 1.00 0.00 O ATOM 779 CB PRO A 47 6.278 9.518 5.964 1.00 0.00 C ATOM 780 CG PRO A 47 6.473 10.999 6.247 1.00 0.00 C ATOM 781 CD PRO A 47 7.586 11.135 7.273 1.00 0.00 C ATOM 0 HA PRO A 47 7.211 7.880 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.196 9.332 4.893 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.360 9.150 6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.730 11.532 5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.550 11.440 6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.384 11.782 6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.218 11.575 8.200 1.00 0.00 H new ATOM 789 N GLN A 48 8.167 7.395 4.721 1.00 0.00 N ATOM 790 CA GLN A 48 9.043 6.907 3.670 1.00 0.00 C ATOM 791 C GLN A 48 8.521 7.342 2.299 1.00 0.00 C ATOM 792 O GLN A 48 9.132 8.180 1.637 1.00 0.00 O ATOM 793 CB GLN A 48 9.190 5.385 3.743 1.00 0.00 C ATOM 794 CG GLN A 48 9.861 4.961 5.051 1.00 0.00 C ATOM 795 CD GLN A 48 11.373 5.188 4.991 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.890 6.211 5.409 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.050 4.180 4.448 1.00 0.00 N ATOM 0 H GLN A 48 7.285 6.890 4.810 1.00 0.00 H new ATOM 0 HA GLN A 48 10.031 7.343 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.209 4.917 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.779 5.032 2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.438 5.527 5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.655 3.908 5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.554 3.352 4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.065 4.235 4.362 1.00 0.00 H new ATOM 806 N GLY A 49 7.398 6.754 1.915 1.00 0.00 N ATOM 807 CA GLY A 49 6.788 7.071 0.635 1.00 0.00 C ATOM 808 C GLY A 49 5.513 7.895 0.824 1.00 0.00 C ATOM 809 O GLY A 49 5.002 8.008 1.938 1.00 0.00 O ATOM 0 H GLY A 49 6.895 6.060 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.495 7.625 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.554 6.150 0.102 1.00 0.00 H new ATOM 813 N CYS A 50 5.035 8.450 -0.280 1.00 0.00 N ATOM 814 CA CYS A 50 3.830 9.261 -0.250 1.00 0.00 C ATOM 815 C CYS A 50 3.118 9.114 -1.596 1.00 0.00 C ATOM 816 O CYS A 50 3.729 9.298 -2.648 1.00 0.00 O ATOM 817 CB CYS A 50 4.139 10.723 0.076 1.00 0.00 C ATOM 818 SG CYS A 50 4.862 11.551 -1.387 1.00 0.00 S ATOM 0 H CYS A 50 5.461 8.354 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 50 3.174 8.911 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.227 11.237 0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.832 10.778 0.915 1.00 0.00 H new ATOM 0 HG CYS A 50 4.598 10.856 -2.454 1.00 0.00 H new ATOM 824 N MET A 51 1.837 8.785 -1.520 1.00 0.00 N ATOM 825 CA MET A 51 1.036 8.611 -2.719 1.00 0.00 C ATOM 826 C MET A 51 -0.208 9.502 -2.681 1.00 0.00 C ATOM 827 O MET A 51 -0.975 9.461 -1.721 1.00 0.00 O ATOM 828 CB MET A 51 0.612 7.147 -2.843 1.00 0.00 C ATOM 829 CG MET A 51 0.595 6.703 -4.307 1.00 0.00 C ATOM 830 SD MET A 51 2.233 6.207 -4.814 1.00 0.00 S ATOM 831 CE MET A 51 1.833 4.760 -5.781 1.00 0.00 C ATOM 0 H MET A 51 1.334 8.634 -0.646 1.00 0.00 H new ATOM 0 HA MET A 51 1.639 8.897 -3.581 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.297 6.517 -2.276 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.378 7.013 -2.407 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.101 5.874 -4.436 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.241 7.518 -4.939 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.740 4.185 -5.967 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.118 4.144 -5.236 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.397 5.067 -6.732 1.00 0.00 H new ATOM 841 N TYR A 52 -0.368 10.285 -3.738 1.00 0.00 N ATOM 842 CA TYR A 52 -1.505 11.184 -3.837 1.00 0.00 C ATOM 843 C TYR A 52 -2.785 10.414 -4.169 1.00 0.00 C ATOM 844 O TYR A 52 -2.958 9.944 -5.293 1.00 0.00 O ATOM 845 CB TYR A 52 -1.187 12.141 -4.988 1.00 0.00 C ATOM 846 CG TYR A 52 -1.812 13.529 -4.834 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.815 14.151 -3.602 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.372 14.159 -5.927 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.403 15.457 -3.457 1.00 0.00 C ATOM 850 CE2 TYR A 52 -2.960 15.465 -5.782 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.946 16.050 -4.554 1.00 0.00 C ATOM 852 OH TYR A 52 -3.501 17.284 -4.417 1.00 0.00 O ATOM 0 H TYR A 52 0.271 10.315 -4.533 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.666 11.704 -2.893 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.105 12.248 -5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.535 11.699 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.376 13.658 -2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.369 13.672 -6.891 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.413 15.955 -2.499 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.402 15.969 -6.629 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.848 17.584 -5.283 1.00 0.00 H new ATOM 862 N LEU A 53 -3.650 10.309 -3.171 1.00 0.00 N ATOM 863 CA LEU A 53 -4.909 9.604 -3.342 1.00 0.00 C ATOM 864 C LEU A 53 -5.713 10.269 -4.461 1.00 0.00 C ATOM 865 O LEU A 53 -6.293 9.586 -5.304 1.00 0.00 O ATOM 866 CB LEU A 53 -5.661 9.518 -2.012 1.00 0.00 C ATOM 867 CG LEU A 53 -4.898 8.879 -0.851 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.826 8.615 0.336 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.171 7.611 -1.303 1.00 0.00 C ATOM 0 H LEU A 53 -3.504 10.701 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.729 8.573 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.954 10.526 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.579 8.953 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.137 9.583 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.258 8.160 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.257 9.556 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.625 7.940 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.637 7.177 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.896 6.891 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.461 7.860 -2.092 1.00 0.00 H new ATOM 881 N PRO A 54 -5.721 11.629 -4.432 1.00 0.00 N ATOM 882 CA PRO A 54 -6.444 12.394 -5.434 1.00 0.00 C ATOM 883 C PRO A 54 -5.698 12.393 -6.769 1.00 0.00 C ATOM 884 O PRO A 54 -5.357 13.451 -7.295 1.00 0.00 O ATOM 885 CB PRO A 54 -6.591 13.784 -4.837 1.00 0.00 C ATOM 886 CG PRO A 54 -5.548 13.876 -3.735 1.00 0.00 C ATOM 887 CD PRO A 54 -5.046 12.470 -3.449 1.00 0.00 C ATOM 0 HA PRO A 54 -7.421 11.968 -5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.430 14.553 -5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.594 13.934 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.724 14.520 -4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.980 14.317 -2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.963 12.408 -3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.288 12.162 -2.432 1.00 0.00 H new ATOM 895 N GLY A 55 -5.466 11.192 -7.280 1.00 0.00 N ATOM 896 CA GLY A 55 -4.766 11.039 -8.544 1.00 0.00 C ATOM 897 C GLY A 55 -4.068 9.680 -8.624 1.00 0.00 C ATOM 898 O GLY A 55 -2.918 9.592 -9.051 1.00 0.00 O ATOM 0 H GLY A 55 -5.751 10.316 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.472 11.138 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.031 11.836 -8.655 1.00 0.00 H new ATOM 902 N CYS A 56 -4.794 8.653 -8.205 1.00 0.00 N ATOM 903 CA CYS A 56 -4.260 7.302 -8.224 1.00 0.00 C ATOM 904 C CYS A 56 -5.344 6.363 -8.756 1.00 0.00 C ATOM 905 O CYS A 56 -6.487 6.776 -8.949 1.00 0.00 O ATOM 906 CB CYS A 56 -3.761 6.872 -6.843 1.00 0.00 C ATOM 907 SG CYS A 56 -2.084 7.542 -6.547 1.00 0.00 S ATOM 0 H CYS A 56 -5.747 8.730 -7.851 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.392 7.261 -8.881 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.445 7.228 -6.073 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.744 5.784 -6.776 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.176 8.696 -5.956 1.00 0.00 H new ATOM 913 N THR A 57 -4.948 5.119 -8.979 1.00 0.00 N ATOM 914 CA THR A 57 -5.872 4.119 -9.486 1.00 0.00 C ATOM 915 C THR A 57 -5.730 2.814 -8.699 1.00 0.00 C ATOM 916 O THR A 57 -4.695 2.152 -8.770 1.00 0.00 O ATOM 917 CB THR A 57 -5.616 3.955 -10.985 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.392 4.989 -11.585 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.219 2.665 -11.545 1.00 0.00 C ATOM 0 H THR A 57 -3.999 4.780 -8.818 1.00 0.00 H new ATOM 0 HA THR A 57 -6.907 4.433 -9.351 1.00 0.00 H new ATOM 0 HB THR A 57 -4.542 3.965 -11.172 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.283 4.957 -12.558 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.008 2.598 -12.612 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.781 1.807 -11.034 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.298 2.669 -11.388 1.00 0.00 H new ATOM 927 N ILE A 58 -6.784 2.484 -7.968 1.00 0.00 N ATOM 928 CA ILE A 58 -6.789 1.270 -7.169 1.00 0.00 C ATOM 929 C ILE A 58 -7.234 0.093 -8.039 1.00 0.00 C ATOM 930 O ILE A 58 -8.393 0.020 -8.445 1.00 0.00 O ATOM 931 CB ILE A 58 -7.640 1.461 -5.911 1.00 0.00 C ATOM 932 CG1 ILE A 58 -7.011 2.495 -4.975 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.885 0.125 -5.207 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.872 3.758 -4.896 1.00 0.00 C ATOM 0 H ILE A 58 -7.640 3.035 -7.912 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.783 1.043 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.613 1.849 -6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.895 2.067 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.013 2.752 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.492 0.289 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.408 -0.552 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.930 -0.315 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.403 4.477 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.966 4.197 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.861 3.501 -4.518 1.00 0.00 H new ATOM 946 N LYS A 59 -6.289 -0.798 -8.301 1.00 0.00 N ATOM 947 CA LYS A 59 -6.569 -1.968 -9.116 1.00 0.00 C ATOM 948 C LYS A 59 -6.338 -3.231 -8.284 1.00 0.00 C ATOM 949 O LYS A 59 -5.353 -3.325 -7.553 1.00 0.00 O ATOM 950 CB LYS A 59 -5.755 -1.926 -10.410 1.00 0.00 C ATOM 951 CG LYS A 59 -5.995 -0.619 -11.168 1.00 0.00 C ATOM 952 CD LYS A 59 -6.029 -0.858 -12.678 1.00 0.00 C ATOM 953 CE LYS A 59 -4.745 -1.542 -13.154 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.065 -2.741 -13.960 1.00 0.00 N ATOM 0 H LYS A 59 -5.329 -0.733 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.614 -1.976 -9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.694 -2.027 -10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.026 -2.772 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.937 -0.175 -10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.207 0.095 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.890 -1.476 -12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.153 0.092 -13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.153 -0.845 -13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.137 -1.826 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.183 -3.193 -14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.611 -3.412 -13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.626 -2.462 -14.790 1.00 0.00 H new ATOM 968 N GLU A 60 -7.262 -4.170 -8.423 1.00 0.00 N ATOM 969 CA GLU A 60 -7.171 -5.423 -7.693 1.00 0.00 C ATOM 970 C GLU A 60 -6.450 -6.477 -8.536 1.00 0.00 C ATOM 971 O GLU A 60 -7.002 -6.978 -9.515 1.00 0.00 O ATOM 972 CB GLU A 60 -8.557 -5.914 -7.271 1.00 0.00 C ATOM 973 CG GLU A 60 -9.154 -5.008 -6.192 1.00 0.00 C ATOM 974 CD GLU A 60 -10.624 -5.350 -5.940 1.00 0.00 C ATOM 975 OE1 GLU A 60 -10.860 -6.345 -5.222 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.478 -4.608 -6.472 1.00 0.00 O ATOM 0 H GLU A 60 -8.077 -4.088 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.591 -5.251 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.218 -5.938 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.487 -6.935 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.588 -5.117 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.067 -3.966 -6.498 1.00 0.00 H new ATOM 983 N ILE A 61 -5.228 -6.783 -8.126 1.00 0.00 N ATOM 984 CA ILE A 61 -4.426 -7.768 -8.831 1.00 0.00 C ATOM 985 C ILE A 61 -4.894 -9.172 -8.444 1.00 0.00 C ATOM 986 O ILE A 61 -4.926 -9.516 -7.263 1.00 0.00 O ATOM 987 CB ILE A 61 -2.936 -7.525 -8.580 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.592 -6.040 -8.714 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.076 -8.398 -9.497 1.00 0.00 C ATOM 990 CD1 ILE A 61 -2.919 -5.526 -10.118 1.00 0.00 C ATOM 0 H ILE A 61 -4.774 -6.366 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.564 -7.671 -9.908 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.711 -7.816 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.149 -5.466 -7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.533 -5.888 -8.505 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.022 -8.206 -9.298 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.295 -9.449 -9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.298 -8.162 -10.538 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.665 -4.468 -10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.342 -6.086 -10.854 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.983 -5.657 -10.315 1.00 0.00 H new ATOM 1002 N ALA A 62 -5.245 -9.946 -9.461 1.00 0.00 N ATOM 1003 CA ALA A 62 -5.709 -11.305 -9.241 1.00 0.00 C ATOM 1004 C ALA A 62 -4.548 -12.277 -9.456 1.00 0.00 C ATOM 1005 O ALA A 62 -3.657 -12.017 -10.262 1.00 0.00 O ATOM 1006 CB ALA A 62 -6.892 -11.596 -10.167 1.00 0.00 C ATOM 0 H ALA A 62 -5.217 -9.658 -10.439 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.058 -11.430 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.241 -12.616 -10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.701 -10.897 -9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.578 -11.483 -11.205 1.00 0.00 H new ATOM 1012 N THR A 63 -4.596 -13.378 -8.720 1.00 0.00 N ATOM 1013 CA THR A 63 -3.559 -14.391 -8.819 1.00 0.00 C ATOM 1014 C THR A 63 -3.588 -15.050 -10.200 1.00 0.00 C ATOM 1015 O THR A 63 -3.481 -14.370 -11.219 1.00 0.00 O ATOM 1016 CB THR A 63 -3.752 -15.380 -7.669 1.00 0.00 C ATOM 1017 OG1 THR A 63 -3.779 -14.558 -6.505 1.00 0.00 O ATOM 1018 CG2 THR A 63 -2.533 -16.281 -7.460 1.00 0.00 C ATOM 0 H THR A 63 -5.337 -13.591 -8.052 1.00 0.00 H new ATOM 0 HA THR A 63 -2.566 -13.951 -8.724 1.00 0.00 H new ATOM 0 HB THR A 63 -4.630 -15.996 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.863 -14.324 -6.249 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.723 -16.964 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.345 -16.855 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.662 -15.667 -7.232 1.00 0.00 H new ATOM 1026 N ASN A 64 -3.734 -16.367 -10.188 1.00 0.00 N ATOM 1027 CA ASN A 64 -3.779 -17.126 -11.426 1.00 0.00 C ATOM 1028 C ASN A 64 -4.959 -16.644 -12.272 1.00 0.00 C ATOM 1029 O ASN A 64 -5.881 -16.015 -11.756 1.00 0.00 O ATOM 1030 CB ASN A 64 -3.972 -18.618 -11.151 1.00 0.00 C ATOM 1031 CG ASN A 64 -2.653 -19.379 -11.298 1.00 0.00 C ATOM 1032 OD1 ASN A 64 -1.613 -18.817 -11.598 1.00 0.00 O ATOM 1033 ND2 ASN A 64 -2.754 -20.686 -11.072 1.00 0.00 N ATOM 0 H ASN A 64 -3.823 -16.928 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.834 -16.975 -11.948 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.366 -18.758 -10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.710 -19.026 -11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.929 -21.282 -11.146 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.656 -21.093 -10.824 1.00 0.00 H new ATOM 1040 N PRO A 65 -4.889 -16.966 -13.592 1.00 0.00 N ATOM 1041 CA PRO A 65 -5.941 -16.573 -14.514 1.00 0.00 C ATOM 1042 C PRO A 65 -7.185 -17.445 -14.331 1.00 0.00 C ATOM 1043 O PRO A 65 -8.212 -17.208 -14.965 1.00 0.00 O ATOM 1044 CB PRO A 65 -5.321 -16.704 -15.896 1.00 0.00 C ATOM 1045 CG PRO A 65 -4.108 -17.604 -15.725 1.00 0.00 C ATOM 1046 CD PRO A 65 -3.812 -17.709 -14.238 1.00 0.00 C ATOM 0 HA PRO A 65 -6.291 -15.555 -14.344 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.030 -17.135 -16.603 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.032 -15.729 -16.288 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.302 -18.590 -16.146 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.250 -17.193 -16.257 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.796 -18.748 -13.910 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.838 -17.284 -13.997 1.00 0.00 H new ATOM 1054 N GLU A 66 -7.051 -18.436 -13.462 1.00 0.00 N ATOM 1055 CA GLU A 66 -8.151 -19.344 -13.188 1.00 0.00 C ATOM 1056 C GLU A 66 -8.319 -19.535 -11.680 1.00 0.00 C ATOM 1057 O GLU A 66 -8.454 -20.662 -11.204 1.00 0.00 O ATOM 1058 CB GLU A 66 -7.941 -20.687 -13.891 1.00 0.00 C ATOM 1059 CG GLU A 66 -9.279 -21.372 -14.176 1.00 0.00 C ATOM 1060 CD GLU A 66 -9.143 -22.392 -15.308 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -8.880 -21.946 -16.446 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -9.305 -23.595 -15.010 1.00 0.00 O ATOM 0 H GLU A 66 -6.197 -18.630 -12.939 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.067 -18.904 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.402 -20.532 -14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.322 -21.334 -13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.636 -21.870 -13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.025 -20.624 -14.444 1.00 0.00 H new ATOM 1069 N GLU A 67 -8.305 -18.417 -10.969 1.00 0.00 N ATOM 1070 CA GLU A 67 -8.454 -18.447 -9.524 1.00 0.00 C ATOM 1071 C GLU A 67 -9.130 -17.165 -9.033 1.00 0.00 C ATOM 1072 O GLU A 67 -9.087 -16.138 -9.710 1.00 0.00 O ATOM 1073 CB GLU A 67 -7.102 -18.652 -8.837 1.00 0.00 C ATOM 1074 CG GLU A 67 -6.899 -20.119 -8.452 1.00 0.00 C ATOM 1075 CD GLU A 67 -7.529 -20.420 -7.091 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -6.942 -19.971 -6.082 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -8.583 -21.093 -7.089 1.00 0.00 O ATOM 0 H GLU A 67 -8.193 -17.485 -11.367 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.089 -19.293 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.300 -18.333 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.045 -18.027 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.341 -20.763 -9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.834 -20.347 -8.422 1.00 0.00 H new ATOM 1084 N ALA A 68 -9.737 -17.266 -7.860 1.00 0.00 N ATOM 1085 CA ALA A 68 -10.421 -16.127 -7.271 1.00 0.00 C ATOM 1086 C ALA A 68 -10.511 -16.319 -5.756 1.00 0.00 C ATOM 1087 O ALA A 68 -11.433 -16.967 -5.262 1.00 0.00 O ATOM 1088 CB ALA A 68 -11.797 -15.965 -7.921 1.00 0.00 C ATOM 0 H ALA A 68 -9.770 -18.119 -7.301 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.864 -15.208 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.310 -15.111 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.677 -15.802 -8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.386 -16.867 -7.756 1.00 0.00 H new ATOM 1094 N GLY A 69 -9.541 -15.745 -5.060 1.00 0.00 N ATOM 1095 CA GLY A 69 -9.499 -15.845 -3.611 1.00 0.00 C ATOM 1096 C GLY A 69 -8.185 -15.287 -3.060 1.00 0.00 C ATOM 1097 O GLY A 69 -7.594 -15.865 -2.149 1.00 0.00 O ATOM 0 H GLY A 69 -8.778 -15.209 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.339 -15.299 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.609 -16.887 -3.312 1.00 0.00 H new ATOM 1101 N LYS A 70 -7.765 -14.171 -3.637 1.00 0.00 N ATOM 1102 CA LYS A 70 -6.532 -13.528 -3.216 1.00 0.00 C ATOM 1103 C LYS A 70 -6.765 -12.022 -3.087 1.00 0.00 C ATOM 1104 O LYS A 70 -7.100 -11.356 -4.065 1.00 0.00 O ATOM 1105 CB LYS A 70 -5.387 -13.895 -4.162 1.00 0.00 C ATOM 1106 CG LYS A 70 -4.220 -14.519 -3.395 1.00 0.00 C ATOM 1107 CD LYS A 70 -3.129 -13.483 -3.116 1.00 0.00 C ATOM 1108 CE LYS A 70 -1.870 -14.148 -2.556 1.00 0.00 C ATOM 1109 NZ LYS A 70 -1.467 -13.507 -1.285 1.00 0.00 N ATOM 0 H LYS A 70 -8.257 -13.695 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.230 -13.889 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.745 -14.594 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.046 -13.004 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.580 -14.935 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.803 -15.345 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.885 -12.951 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.499 -12.742 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.055 -15.210 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.059 -14.074 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.611 -13.970 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.271 -12.499 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.235 -13.600 -0.590 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.578 -11.529 -1.871 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.764 -10.113 -1.602 1.00 0.00 C ATOM 1125 C PHE A 71 -5.498 -9.321 -1.936 1.00 0.00 C ATOM 1126 O PHE A 71 -4.642 -9.119 -1.076 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.056 -9.977 -0.106 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.009 -11.041 0.441 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.199 -11.270 -0.177 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.667 -11.758 1.544 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.085 -12.257 0.331 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.552 -12.746 2.052 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.742 -12.974 1.435 1.00 0.00 C ATOM 0 H PHE A 71 -6.300 -12.084 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.577 -9.722 -2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.116 -10.029 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.481 -8.991 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.470 -10.701 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.722 -11.576 2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.030 -12.438 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.280 -13.316 2.928 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.415 -13.725 1.822 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.420 -8.893 -3.188 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.273 -8.127 -3.647 1.00 0.00 C ATOM 1145 C VAL A 72 -4.759 -6.933 -4.469 1.00 0.00 C ATOM 1146 O VAL A 72 -5.743 -7.037 -5.200 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.313 -9.034 -4.419 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.978 -8.331 -4.672 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -3.104 -10.361 -3.687 1.00 0.00 C ATOM 0 H VAL A 72 -6.132 -9.062 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.714 -7.732 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.765 -9.253 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.314 -8.998 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.148 -7.426 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.519 -8.068 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.418 -10.987 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.685 -10.170 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.060 -10.873 -3.582 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.047 -5.825 -4.323 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.394 -4.612 -5.044 1.00 0.00 C ATOM 1161 C PHE A 73 -3.209 -3.645 -5.091 1.00 0.00 C ATOM 1162 O PHE A 73 -2.567 -3.394 -4.073 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.545 -3.952 -4.281 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.106 -3.188 -3.031 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.674 -3.867 -1.935 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -5.147 -1.828 -3.015 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.267 -3.158 -0.774 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.740 -1.119 -1.855 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.308 -1.799 -0.759 1.00 0.00 C ATOM 0 H PHE A 73 -3.231 -5.742 -3.716 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.672 -4.855 -6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.064 -3.266 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.263 -4.720 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.640 -4.946 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.489 -1.288 -3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.925 -3.698 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.773 -0.040 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.997 -1.259 0.123 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.956 -3.128 -6.285 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.860 -2.194 -6.479 1.00 0.00 C ATOM 1181 C GLU A 74 -2.400 -0.778 -6.687 1.00 0.00 C ATOM 1182 O GLU A 74 -3.515 -0.600 -7.175 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.976 -2.622 -7.651 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.404 -1.924 -8.944 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.759 -2.586 -10.164 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.325 -3.749 -10.015 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.715 -1.914 -11.217 1.00 0.00 O ATOM 0 H GLU A 74 -3.491 -3.338 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.242 -2.197 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.065 -2.384 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.035 -3.703 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.489 -1.959 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.121 -0.872 -8.904 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.584 0.195 -6.308 1.00 0.00 N ATOM 1195 CA ILE A 75 -1.966 1.589 -6.448 1.00 0.00 C ATOM 1196 C ILE A 75 -1.111 2.241 -7.537 1.00 0.00 C ATOM 1197 O ILE A 75 0.115 2.260 -7.440 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.889 2.304 -5.097 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.718 1.569 -4.041 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.301 3.771 -5.228 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.321 2.007 -2.630 1.00 0.00 C ATOM 0 H ILE A 75 -0.660 0.045 -5.904 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.005 1.669 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.852 2.290 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.778 1.767 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.575 0.493 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.237 4.255 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.635 4.275 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.325 3.830 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.925 1.470 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.267 1.785 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.488 3.079 -2.521 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.792 2.759 -8.548 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.111 3.410 -9.654 1.00 0.00 C ATOM 1215 C ILE A 76 -1.209 4.927 -9.486 1.00 0.00 C ATOM 1216 O ILE A 76 -2.303 5.471 -9.349 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.654 2.903 -10.991 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.486 1.387 -11.113 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.010 3.647 -12.163 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.845 0.688 -11.181 1.00 0.00 C ATOM 0 H ILE A 76 -2.809 2.741 -8.625 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.051 3.156 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.723 3.112 -11.025 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.907 1.152 -12.007 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.922 1.010 -10.260 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.414 3.267 -13.101 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.225 4.712 -12.080 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.069 3.492 -12.143 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.697 -0.388 -11.267 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.411 0.905 -10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.397 1.049 -12.049 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.018 5.586 -9.502 1.00 0.00 N ATOM 1233 CA PRO A 77 0.040 7.030 -9.353 1.00 0.00 C ATOM 1234 C PRO A 77 -0.405 7.732 -10.637 1.00 0.00 C ATOM 1235 O PRO A 77 -0.293 7.171 -11.726 1.00 0.00 O ATOM 1236 CB PRO A 77 1.484 7.329 -8.983 1.00 0.00 C ATOM 1237 CG PRO A 77 2.282 6.101 -9.391 1.00 0.00 C ATOM 1238 CD PRO A 77 1.298 4.975 -9.662 1.00 0.00 C ATOM 0 HA PRO A 77 -0.640 7.401 -8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.844 8.218 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.582 7.521 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.877 6.310 -10.280 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.978 5.818 -8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.427 4.570 -10.666 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.439 4.150 -8.964 1.00 0.00 H new ATOM 1246 N ALA A 78 -0.900 8.949 -10.467 1.00 0.00 N ATOM 1247 CA ALA A 78 -1.363 9.734 -11.599 1.00 0.00 C ATOM 1248 C ALA A 78 -0.401 9.543 -12.773 1.00 0.00 C ATOM 1249 O ALA A 78 0.752 9.163 -12.580 1.00 0.00 O ATOM 1250 CB ALA A 78 -1.494 11.201 -11.184 1.00 0.00 C ATOM 0 H ALA A 78 -0.991 9.411 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.348 9.398 -11.922 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.841 11.790 -12.033 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.210 11.285 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.524 11.574 -10.856 1.00 0.00 H new ATOM 1256 N SER A 79 -0.912 9.817 -13.965 1.00 0.00 N ATOM 1257 CA SER A 79 -0.112 9.680 -15.171 1.00 0.00 C ATOM 1258 C SER A 79 0.341 8.228 -15.336 1.00 0.00 C ATOM 1259 O SER A 79 -0.064 7.356 -14.569 1.00 0.00 O ATOM 1260 CB SER A 79 1.099 10.614 -15.137 1.00 0.00 C ATOM 1261 OG SER A 79 0.822 11.870 -15.751 1.00 0.00 O ATOM 0 H SER A 79 -1.869 10.133 -14.121 1.00 0.00 H new ATOM 0 HA SER A 79 -0.729 9.960 -16.025 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.403 10.775 -14.103 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.938 10.139 -15.646 1.00 0.00 H new ATOM 0 HG SER A 79 1.619 12.438 -15.707 1.00 0.00 H new ATOM 1267 N TRP A 80 1.176 8.014 -16.342 1.00 0.00 N ATOM 1268 CA TRP A 80 1.689 6.682 -16.618 1.00 0.00 C ATOM 1269 C TRP A 80 0.524 5.817 -17.102 1.00 0.00 C ATOM 1270 O TRP A 80 0.082 4.913 -16.395 1.00 0.00 O ATOM 1271 CB TRP A 80 2.395 6.102 -15.391 1.00 0.00 C ATOM 1272 CG TRP A 80 3.337 4.938 -15.708 1.00 0.00 C ATOM 1273 CD1 TRP A 80 3.262 4.070 -16.726 1.00 0.00 C ATOM 1274 CD2 TRP A 80 4.505 4.548 -14.956 1.00 0.00 C ATOM 1275 NE1 TRP A 80 4.292 3.152 -16.685 1.00 0.00 N ATOM 1276 CE2 TRP A 80 5.072 3.453 -15.574 1.00 0.00 C ATOM 1277 CE3 TRP A 80 5.064 5.103 -13.791 1.00 0.00 C ATOM 1278 CZ2 TRP A 80 6.227 2.818 -15.102 1.00 0.00 C ATOM 1279 CZ3 TRP A 80 6.218 4.457 -13.331 1.00 0.00 C ATOM 1280 CH2 TRP A 80 6.801 3.353 -13.943 1.00 0.00 C ATOM 0 H TRP A 80 1.510 8.740 -16.976 1.00 0.00 H new ATOM 0 HA TRP A 80 2.446 6.715 -17.401 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.964 6.894 -14.903 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.643 5.764 -14.678 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.492 4.087 -17.483 1.00 0.00 H new ATOM 0 HE1 TRP A 80 4.451 2.393 -17.347 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.637 5.960 -13.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.652 1.962 -15.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.688 4.843 -12.439 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.693 2.910 -13.526 1.00 0.00 H new ATOM 1291 N ASP A 81 0.059 6.125 -18.304 1.00 0.00 N ATOM 1292 CA ASP A 81 -1.046 5.388 -18.891 1.00 0.00 C ATOM 1293 C ASP A 81 -0.495 4.294 -19.807 1.00 0.00 C ATOM 1294 O ASP A 81 0.696 4.279 -20.115 1.00 0.00 O ATOM 1295 CB ASP A 81 -1.936 6.305 -19.732 1.00 0.00 C ATOM 1296 CG ASP A 81 -3.308 6.607 -19.127 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -3.507 6.227 -17.953 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -4.127 7.212 -19.852 1.00 0.00 O ATOM 0 H ASP A 81 0.428 6.876 -18.887 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.634 4.961 -18.079 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.412 7.247 -19.894 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.080 5.848 -20.711 1.00 0.00 H new ATOM 1303 N GLN A 82 -1.387 3.405 -20.218 1.00 0.00 N ATOM 1304 CA GLN A 82 -1.004 2.310 -21.093 1.00 0.00 C ATOM 1305 C GLN A 82 0.078 1.454 -20.431 1.00 0.00 C ATOM 1306 O GLN A 82 1.254 1.812 -20.448 1.00 0.00 O ATOM 1307 CB GLN A 82 -0.534 2.832 -22.452 1.00 0.00 C ATOM 1308 CG GLN A 82 -1.646 2.720 -23.497 1.00 0.00 C ATOM 1309 CD GLN A 82 -1.190 3.281 -24.846 1.00 0.00 C ATOM 1310 OE1 GLN A 82 -0.529 2.620 -25.630 1.00 0.00 O ATOM 1311 NE2 GLN A 82 -1.578 4.533 -25.070 1.00 0.00 N ATOM 0 H GLN A 82 -2.374 3.421 -19.961 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.880 1.685 -21.264 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.222 3.872 -22.358 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.338 2.266 -22.781 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.937 1.676 -23.613 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.528 3.261 -23.154 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.130 5.029 -24.370 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.323 4.998 -25.942 1.00 0.00 H new ATOM 1320 N ASN A 83 -0.359 0.340 -19.862 1.00 0.00 N ATOM 1321 CA ASN A 83 0.557 -0.569 -19.196 1.00 0.00 C ATOM 1322 C ASN A 83 1.800 -0.763 -20.066 1.00 0.00 C ATOM 1323 O ASN A 83 2.922 -0.551 -19.609 1.00 0.00 O ATOM 1324 CB ASN A 83 -0.087 -1.940 -18.980 1.00 0.00 C ATOM 1325 CG ASN A 83 -0.514 -2.122 -17.522 1.00 0.00 C ATOM 1326 OD1 ASN A 83 0.083 -1.587 -16.602 1.00 0.00 O ATOM 1327 ND2 ASN A 83 -1.576 -2.906 -17.363 1.00 0.00 N ATOM 0 H ASN A 83 -1.336 0.047 -19.849 1.00 0.00 H new ATOM 0 HA ASN A 83 0.818 -0.136 -18.230 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.954 -2.045 -19.632 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.617 -2.724 -19.257 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.938 -3.091 -16.427 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.029 -3.323 -18.177 1.00 0.00 H new ATOM 1334 N ARG A 84 1.559 -1.163 -21.306 1.00 0.00 N ATOM 1335 CA ARG A 84 2.645 -1.388 -22.245 1.00 0.00 C ATOM 1336 C ARG A 84 3.853 -1.991 -21.525 1.00 0.00 C ATOM 1337 O ARG A 84 4.907 -1.363 -21.440 1.00 0.00 O ATOM 1338 CB ARG A 84 3.064 -0.083 -22.924 1.00 0.00 C ATOM 1339 CG ARG A 84 4.321 -0.286 -23.773 1.00 0.00 C ATOM 1340 CD ARG A 84 4.035 -0.009 -25.251 1.00 0.00 C ATOM 1341 NE ARG A 84 5.147 -0.516 -26.085 1.00 0.00 N ATOM 1342 CZ ARG A 84 5.039 -0.799 -27.390 1.00 0.00 C ATOM 1343 NH1 ARG A 84 3.867 -0.627 -28.018 1.00 0.00 N ATOM 1344 NH2 ARG A 84 6.101 -1.255 -28.068 1.00 0.00 N ATOM 0 H ARG A 84 0.627 -1.337 -21.682 1.00 0.00 H new ATOM 0 HA ARG A 84 2.288 -2.082 -23.006 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.251 0.281 -23.552 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.250 0.681 -22.169 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.112 0.376 -23.422 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.684 -1.307 -23.654 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.101 -0.488 -25.545 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.908 1.062 -25.411 1.00 0.00 H new ATOM 0 HE ARG A 84 6.053 -0.659 -25.638 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.058 -0.281 -27.502 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.784 -0.842 -29.012 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.993 -1.387 -27.591 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.018 -1.470 -29.062 1.00 0.00 H new ATOM 1358 N MET A 85 3.659 -3.202 -21.024 1.00 0.00 N ATOM 1359 CA MET A 85 4.719 -3.897 -20.314 1.00 0.00 C ATOM 1360 C MET A 85 5.533 -2.926 -19.457 1.00 0.00 C ATOM 1361 O MET A 85 6.748 -2.818 -19.619 1.00 0.00 O ATOM 1362 CB MET A 85 5.642 -4.587 -21.322 1.00 0.00 C ATOM 1363 CG MET A 85 6.199 -3.581 -22.331 1.00 0.00 C ATOM 1364 SD MET A 85 7.479 -4.347 -23.312 1.00 0.00 S ATOM 1365 CE MET A 85 6.538 -4.783 -24.765 1.00 0.00 C ATOM 0 H MET A 85 2.783 -3.720 -21.096 1.00 0.00 H new ATOM 0 HA MET A 85 4.265 -4.639 -19.657 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.464 -5.073 -20.795 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.094 -5.369 -21.847 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.399 -3.222 -22.978 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.600 -2.713 -21.808 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.190 -5.275 -25.487 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.730 -5.459 -24.486 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.119 -3.881 -25.211 1.00 0.00 H new ATOM 1375 N GLY A 86 4.831 -2.244 -18.565 1.00 0.00 N ATOM 1376 CA GLY A 86 5.474 -1.285 -17.682 1.00 0.00 C ATOM 1377 C GLY A 86 4.454 -0.629 -16.749 1.00 0.00 C ATOM 1378 O GLY A 86 3.581 0.111 -17.199 1.00 0.00 O ATOM 0 H GLY A 86 3.824 -2.336 -18.434 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.242 -1.786 -17.092 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.976 -0.520 -18.274 1.00 0.00 H new ATOM 1382 N GLN A 87 4.598 -0.926 -15.465 1.00 0.00 N ATOM 1383 CA GLN A 87 3.700 -0.375 -14.465 1.00 0.00 C ATOM 1384 C GLN A 87 4.113 -0.841 -13.067 1.00 0.00 C ATOM 1385 O GLN A 87 3.638 -1.868 -12.585 1.00 0.00 O ATOM 1386 CB GLN A 87 2.248 -0.755 -14.762 1.00 0.00 C ATOM 1387 CG GLN A 87 1.311 -0.236 -13.670 1.00 0.00 C ATOM 1388 CD GLN A 87 -0.111 -0.059 -14.206 1.00 0.00 C ATOM 1389 OE1 GLN A 87 -0.921 -0.971 -14.206 1.00 0.00 O ATOM 1390 NE2 GLN A 87 -0.369 1.164 -14.663 1.00 0.00 N ATOM 0 H GLN A 87 5.323 -1.541 -15.095 1.00 0.00 H new ATOM 0 HA GLN A 87 3.771 0.712 -14.501 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.951 -0.344 -15.727 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.160 -1.839 -14.837 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.303 -0.932 -12.831 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.681 0.716 -13.290 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.354 1.882 -14.634 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.290 1.383 -15.042 1.00 0.00 H new ATOM 1399 N ASP A 88 4.994 -0.062 -12.455 1.00 0.00 N ATOM 1400 CA ASP A 88 5.477 -0.382 -11.123 1.00 0.00 C ATOM 1401 C ASP A 88 4.318 -0.286 -10.128 1.00 0.00 C ATOM 1402 O ASP A 88 3.973 -1.270 -9.475 1.00 0.00 O ATOM 1403 CB ASP A 88 6.562 0.601 -10.679 1.00 0.00 C ATOM 1404 CG ASP A 88 7.970 0.280 -11.183 1.00 0.00 C ATOM 1405 OD1 ASP A 88 8.569 -0.667 -10.629 1.00 0.00 O ATOM 1406 OD2 ASP A 88 8.417 0.989 -12.110 1.00 0.00 O ATOM 0 H ASP A 88 5.385 0.790 -12.858 1.00 0.00 H new ATOM 0 HA ASP A 88 5.891 -1.390 -11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.289 1.599 -11.021 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.580 0.631 -9.590 1.00 0.00 H new ATOM 1411 N SER A 89 3.748 0.907 -10.046 1.00 0.00 N ATOM 1412 CA SER A 89 2.634 1.144 -9.143 1.00 0.00 C ATOM 1413 C SER A 89 2.981 0.638 -7.741 1.00 0.00 C ATOM 1414 O SER A 89 4.080 0.135 -7.513 1.00 0.00 O ATOM 1415 CB SER A 89 1.359 0.468 -9.651 1.00 0.00 C ATOM 1416 OG SER A 89 1.542 -0.930 -9.857 1.00 0.00 O ATOM 0 H SER A 89 4.037 1.720 -10.590 1.00 0.00 H new ATOM 0 HA SER A 89 2.451 2.218 -9.100 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.554 0.626 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.049 0.935 -10.586 1.00 0.00 H new ATOM 0 HG SER A 89 2.253 -1.257 -9.267 1.00 0.00 H new ATOM 1422 N TYR A 90 2.022 0.787 -6.839 1.00 0.00 N ATOM 1423 CA TYR A 90 2.212 0.352 -5.466 1.00 0.00 C ATOM 1424 C TYR A 90 1.456 -0.950 -5.194 1.00 0.00 C ATOM 1425 O TYR A 90 0.289 -0.925 -4.807 1.00 0.00 O ATOM 1426 CB TYR A 90 1.628 1.460 -4.587 1.00 0.00 C ATOM 1427 CG TYR A 90 2.665 2.181 -3.724 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.946 2.376 -4.202 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.321 2.637 -2.468 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.922 3.055 -3.389 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.297 3.316 -1.656 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.549 3.492 -2.156 1.00 0.00 C ATOM 1433 OH TYR A 90 5.471 4.133 -1.389 1.00 0.00 O ATOM 0 H TYR A 90 1.111 1.203 -7.032 1.00 0.00 H new ATOM 0 HA TYR A 90 3.268 0.171 -5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.130 2.190 -5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.865 1.030 -3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.216 2.019 -5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.319 2.485 -2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.927 3.214 -3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.040 3.678 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 90 5.453 3.766 -0.481 1.00 0.00 H new ATOM 1443 N VAL A 91 2.152 -2.057 -5.408 1.00 0.00 N ATOM 1444 CA VAL A 91 1.561 -3.367 -5.191 1.00 0.00 C ATOM 1445 C VAL A 91 1.407 -3.609 -3.688 1.00 0.00 C ATOM 1446 O VAL A 91 2.374 -3.947 -3.008 1.00 0.00 O ATOM 1447 CB VAL A 91 2.399 -4.441 -5.887 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.831 -5.837 -5.621 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.503 -4.168 -7.388 1.00 0.00 C ATOM 0 H VAL A 91 3.120 -2.074 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 91 0.565 -3.415 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 91 3.405 -4.404 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.445 -6.582 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.833 -6.032 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.810 -5.892 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.104 -4.946 -7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.505 -4.164 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.974 -3.198 -7.550 1.00 0.00 H new ATOM 1459 N LEU A 92 0.183 -3.427 -3.214 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.111 -3.622 -1.805 1.00 0.00 C ATOM 1461 C LEU A 92 -0.960 -4.883 -1.634 1.00 0.00 C ATOM 1462 O LEU A 92 -1.740 -5.234 -2.518 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.751 -2.365 -1.212 1.00 0.00 C ATOM 1464 CG LEU A 92 -0.039 -1.044 -1.513 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.617 0.095 -0.670 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.474 -1.182 -1.331 1.00 0.00 C ATOM 0 H LEU A 92 -0.617 -3.146 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 92 0.810 -3.779 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.775 -2.295 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.808 -2.486 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.215 -0.792 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.093 1.022 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.678 0.211 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.492 -0.136 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.955 -0.229 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.692 -1.470 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.854 -1.946 -2.010 1.00 0.00 H new ATOM 1478 N MET A 93 -0.779 -5.530 -0.492 1.00 0.00 N ATOM 1479 CA MET A 93 -1.519 -6.744 -0.195 1.00 0.00 C ATOM 1480 C MET A 93 -1.886 -6.814 1.289 1.00 0.00 C ATOM 1481 O MET A 93 -1.053 -6.537 2.151 1.00 0.00 O ATOM 1482 CB MET A 93 -0.672 -7.963 -0.569 1.00 0.00 C ATOM 1483 CG MET A 93 -1.353 -9.260 -0.128 1.00 0.00 C ATOM 1484 SD MET A 93 -0.231 -10.232 0.863 1.00 0.00 S ATOM 1485 CE MET A 93 1.082 -10.491 -0.319 1.00 0.00 C ATOM 0 H MET A 93 -0.131 -5.236 0.238 1.00 0.00 H new ATOM 0 HA MET A 93 -2.440 -6.737 -0.778 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.510 -7.981 -1.647 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.309 -7.886 -0.101 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.252 -9.032 0.444 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.667 -9.831 -1.002 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.248 -11.560 -0.450 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.804 -10.048 -1.275 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.997 -10.024 0.045 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.132 -7.184 1.541 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.620 -7.293 2.905 1.00 0.00 C ATOM 1497 C ALA A 94 -3.718 -8.771 3.290 1.00 0.00 C ATOM 1498 O ALA A 94 -3.901 -9.629 2.429 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.961 -6.567 3.028 1.00 0.00 C ATOM 0 H ALA A 94 -3.819 -7.412 0.823 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.928 -6.817 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.327 -6.649 4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.830 -5.515 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.683 -7.018 2.348 1.00 0.00 H new ATOM 1505 N SER A 95 -3.593 -9.021 4.585 1.00 0.00 N ATOM 1506 CA SER A 95 -3.666 -10.380 5.095 1.00 0.00 C ATOM 1507 C SER A 95 -5.099 -10.906 4.980 1.00 0.00 C ATOM 1508 O SER A 95 -5.322 -11.999 4.462 1.00 0.00 O ATOM 1509 CB SER A 95 -3.191 -10.450 6.548 1.00 0.00 C ATOM 1510 OG SER A 95 -2.031 -11.265 6.691 1.00 0.00 O ATOM 0 H SER A 95 -3.442 -8.306 5.296 1.00 0.00 H new ATOM 0 HA SER A 95 -3.006 -11.006 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.974 -9.444 6.907 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.992 -10.846 7.173 1.00 0.00 H new ATOM 0 HG SER A 95 -1.758 -11.283 7.632 1.00 0.00 H new ATOM 1516 N SER A 96 -6.031 -10.103 5.471 1.00 0.00 N ATOM 1517 CA SER A 96 -7.435 -10.474 5.429 1.00 0.00 C ATOM 1518 C SER A 96 -8.144 -9.714 4.307 1.00 0.00 C ATOM 1519 O SER A 96 -7.501 -9.031 3.512 1.00 0.00 O ATOM 1520 CB SER A 96 -8.118 -10.198 6.771 1.00 0.00 C ATOM 1521 OG SER A 96 -7.999 -8.832 7.159 1.00 0.00 O ATOM 0 H SER A 96 -5.842 -9.197 5.900 1.00 0.00 H new ATOM 0 HA SER A 96 -7.500 -11.544 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.173 -10.465 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.677 -10.833 7.540 1.00 0.00 H new ATOM 0 HG SER A 96 -8.449 -8.696 8.019 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.461 -9.858 4.278 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.265 -9.193 3.266 1.00 0.00 C ATOM 1529 C GLN A 97 -10.821 -7.876 3.810 1.00 0.00 C ATOM 1530 O GLN A 97 -10.660 -6.826 3.189 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.392 -10.104 2.776 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.347 -9.346 1.851 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.537 -10.221 1.455 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.884 -11.182 2.122 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -14.142 -9.837 0.334 1.00 0.00 N ATOM 0 H GLN A 97 -9.992 -10.425 4.939 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.626 -8.969 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.970 -10.959 2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.943 -10.498 3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.704 -8.445 2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.814 -9.025 0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.801 -9.023 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.947 -10.357 -0.015 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.464 -7.974 4.964 1.00 0.00 N ATOM 1545 CA ALA A 98 -12.045 -6.804 5.599 1.00 0.00 C ATOM 1546 C ALA A 98 -10.997 -5.690 5.662 1.00 0.00 C ATOM 1547 O ALA A 98 -11.342 -4.510 5.686 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.576 -7.184 6.983 1.00 0.00 C ATOM 0 H ALA A 98 -11.595 -8.846 5.476 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.888 -6.431 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.012 -6.306 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.338 -7.957 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.757 -7.560 7.596 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.739 -6.106 5.688 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.639 -5.159 5.748 1.00 0.00 C ATOM 1556 C GLU A 99 -8.428 -4.504 4.381 1.00 0.00 C ATOM 1557 O GLU A 99 -8.329 -3.282 4.283 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.358 -5.837 6.235 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.338 -4.802 6.716 1.00 0.00 C ATOM 1560 CD GLU A 99 -6.108 -4.920 8.224 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -7.066 -4.623 8.970 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.979 -5.304 8.597 1.00 0.00 O ATOM 0 H GLU A 99 -9.457 -7.086 5.669 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.894 -4.380 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.593 -6.526 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.927 -6.430 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.395 -4.943 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.691 -3.799 6.476 1.00 0.00 H new ATOM 1569 N MET A 100 -8.364 -5.346 3.360 1.00 0.00 N ATOM 1570 CA MET A 100 -8.166 -4.864 2.004 1.00 0.00 C ATOM 1571 C MET A 100 -9.351 -4.011 1.547 1.00 0.00 C ATOM 1572 O MET A 100 -9.174 -3.033 0.823 1.00 0.00 O ATOM 1573 CB MET A 100 -7.999 -6.055 1.058 1.00 0.00 C ATOM 1574 CG MET A 100 -7.779 -5.586 -0.381 1.00 0.00 C ATOM 1575 SD MET A 100 -8.322 -6.845 -1.524 1.00 0.00 S ATOM 1576 CE MET A 100 -10.055 -6.919 -1.103 1.00 0.00 C ATOM 0 H MET A 100 -8.446 -6.359 3.445 1.00 0.00 H new ATOM 0 HA MET A 100 -7.269 -4.245 1.986 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.153 -6.663 1.379 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.884 -6.689 1.106 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.328 -4.661 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.724 -5.367 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.638 -7.133 -1.999 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.217 -7.707 -0.367 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.369 -5.962 -0.686 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.534 -4.413 1.988 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.748 -3.698 1.633 1.00 0.00 C ATOM 1588 C GLU A 101 -11.744 -2.302 2.259 1.00 0.00 C ATOM 1589 O GLU A 101 -12.120 -1.327 1.612 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.991 -4.485 2.054 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.684 -5.106 0.840 1.00 0.00 C ATOM 1592 CD GLU A 101 -13.955 -4.051 -0.236 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.758 -3.138 0.054 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.352 -4.182 -1.323 1.00 0.00 O ATOM 0 H GLU A 101 -10.678 -5.225 2.588 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.778 -3.588 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.709 -5.269 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.685 -3.825 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.061 -5.900 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.623 -5.566 1.148 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.314 -2.252 3.511 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.256 -0.991 4.232 1.00 0.00 C ATOM 1603 C GLU A 102 -10.216 -0.065 3.600 1.00 0.00 C ATOM 1604 O GLU A 102 -10.509 1.091 3.300 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.957 -1.221 5.715 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.299 0.020 6.542 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.725 -0.062 7.089 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.648 0.284 6.320 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -12.861 -0.468 8.263 1.00 0.00 O ATOM 0 H GLU A 102 -11.003 -3.064 4.045 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.232 -0.510 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.531 -2.074 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.903 -1.469 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.594 0.117 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.193 0.913 5.926 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.021 -0.608 3.416 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.935 0.155 2.824 1.00 0.00 C ATOM 1618 C TRP A 103 -8.403 0.662 1.458 1.00 0.00 C ATOM 1619 O TRP A 103 -8.289 1.850 1.161 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.657 -0.681 2.746 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.864 -0.731 4.054 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.667 -1.784 4.859 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.167 0.367 4.679 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.896 -1.446 5.953 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.583 -0.097 5.840 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.034 1.707 4.277 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.826 0.714 6.694 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.274 2.505 5.141 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.680 2.053 6.313 1.00 0.00 C ATOM 0 H TRP A 103 -8.781 -1.567 3.667 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.683 1.014 3.446 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.918 -1.698 2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.018 -0.276 1.961 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.062 -2.772 4.675 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.609 -2.071 6.706 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.483 2.091 3.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.379 0.327 7.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.140 3.544 4.878 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -3.108 2.732 6.928 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.918 -0.265 0.664 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.404 0.074 -0.663 1.00 0.00 C ATOM 1642 C VAL A 104 -10.530 1.102 -0.543 1.00 0.00 C ATOM 1643 O VAL A 104 -10.510 2.131 -1.217 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.830 -1.196 -1.404 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.612 -0.853 -2.674 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.620 -2.075 -1.725 1.00 0.00 C ATOM 0 H VAL A 104 -9.009 -1.250 0.914 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.610 0.530 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.490 -1.762 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.903 -1.773 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.505 -0.286 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.986 -0.255 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.950 -2.971 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.924 -1.520 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.122 -2.361 -0.799 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.485 0.789 0.320 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.617 1.673 0.537 1.00 0.00 C ATOM 1658 C LYS A 105 -12.111 3.104 0.732 1.00 0.00 C ATOM 1659 O LYS A 105 -12.353 3.971 -0.105 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.481 1.163 1.692 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.736 2.023 1.858 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.578 3.005 3.021 1.00 0.00 C ATOM 1663 CE LYS A 105 -15.019 2.368 4.340 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.383 2.816 4.702 1.00 0.00 N ATOM 0 H LYS A 105 -11.498 -0.065 0.877 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.268 1.681 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.767 0.127 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.903 1.174 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.929 2.573 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.600 1.382 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.538 3.321 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.170 3.900 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.998 1.282 4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.320 2.636 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.667 2.374 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.392 3.851 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.050 2.538 3.954 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.419 3.306 1.844 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.877 4.617 2.160 1.00 0.00 C ATOM 1680 C PHE A 106 -10.120 5.200 0.965 1.00 0.00 C ATOM 1681 O PHE A 106 -10.397 6.319 0.537 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.901 4.429 3.324 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.550 4.544 4.704 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.104 5.721 5.099 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.573 3.469 5.537 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.707 5.828 6.381 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.176 3.576 6.818 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.730 4.753 7.213 1.00 0.00 C ATOM 0 H PHE A 106 -11.221 2.584 2.537 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.686 5.303 2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.430 3.450 3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.108 5.172 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.086 6.575 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.133 2.534 5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.147 6.763 6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.195 2.722 7.479 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.188 4.834 8.188 1.00 0.00 H new ATOM 1698 N LEU A 107 -9.179 4.415 0.461 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.381 4.839 -0.677 1.00 0.00 C ATOM 1700 C LEU A 107 -9.308 5.304 -1.801 1.00 0.00 C ATOM 1701 O LEU A 107 -9.329 6.484 -2.145 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.414 3.730 -1.096 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.335 3.359 -0.076 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.857 1.921 -0.282 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -5.177 4.359 -0.115 1.00 0.00 C ATOM 0 H LEU A 107 -8.951 3.488 0.820 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.756 5.690 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.994 2.836 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.923 4.034 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.774 3.413 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.091 1.683 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.698 1.238 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.441 1.816 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.424 4.073 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.731 4.361 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.550 5.357 0.118 1.00 0.00 H new ATOM 1717 N ARG A 108 -10.054 4.351 -2.342 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.981 4.648 -3.420 1.00 0.00 C ATOM 1719 C ARG A 108 -11.891 5.816 -3.031 1.00 0.00 C ATOM 1720 O ARG A 108 -12.213 6.660 -3.866 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.843 3.430 -3.757 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.367 2.761 -5.048 1.00 0.00 C ATOM 1723 CD ARG A 108 -12.545 2.171 -5.826 1.00 0.00 C ATOM 1724 NE ARG A 108 -12.131 1.861 -7.213 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.967 1.431 -8.168 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -14.266 1.257 -7.892 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -12.502 1.174 -9.398 1.00 0.00 N ATOM 0 H ARG A 108 -10.035 3.373 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.393 4.917 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.803 2.714 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.884 3.735 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.845 3.490 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.652 1.973 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.900 1.266 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.376 2.877 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.148 1.982 -7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -14.619 1.452 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.902 0.930 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.512 1.306 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.138 0.847 -10.125 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.278 5.826 -1.765 1.00 0.00 N ATOM 1742 CA ARG A 109 -13.144 6.876 -1.255 1.00 0.00 C ATOM 1743 C ARG A 109 -12.482 8.243 -1.434 1.00 0.00 C ATOM 1744 O ARG A 109 -13.065 9.146 -2.033 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.460 6.660 0.226 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.453 7.707 0.734 1.00 0.00 C ATOM 1747 CD ARG A 109 -13.724 8.954 1.239 1.00 0.00 C ATOM 1748 NE ARG A 109 -14.303 10.165 0.616 1.00 0.00 N ATOM 1749 CZ ARG A 109 -15.513 10.658 0.915 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.279 10.047 1.828 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -15.956 11.763 0.299 1.00 0.00 N ATOM 0 H ARG A 109 -12.008 5.124 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 109 -14.075 6.842 -1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.873 5.662 0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.541 6.713 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -15.139 7.982 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -15.055 7.283 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.805 9.019 2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.662 8.885 1.003 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.747 10.655 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.942 9.206 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.200 10.423 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.372 12.228 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.877 12.139 0.526 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.272 8.353 -0.904 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.524 9.596 -0.997 1.00 0.00 C ATOM 1767 C VAL A 110 -10.170 9.864 -2.462 1.00 0.00 C ATOM 1768 O VAL A 110 -10.584 10.873 -3.029 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.296 9.537 -0.087 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.416 10.774 -0.273 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.708 9.371 1.378 1.00 0.00 C ATOM 0 H VAL A 110 -10.791 7.602 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.129 10.433 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.709 8.664 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.550 10.707 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.081 10.830 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.989 11.668 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.817 9.332 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.327 10.216 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.274 8.447 1.494 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.408 8.942 -3.031 1.00 0.00 N ATOM 1782 CA ALA A 111 -8.993 9.066 -4.418 1.00 0.00 C ATOM 1783 C ALA A 111 -10.220 9.343 -5.290 1.00 0.00 C ATOM 1784 O ALA A 111 -10.103 9.932 -6.363 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.250 7.799 -4.845 1.00 0.00 C ATOM 0 H ALA A 111 -9.067 8.106 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.306 9.903 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -7.939 7.893 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.371 7.663 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.909 6.938 -4.740 1.00 0.00 H new ATOM 1791 N GLY A 112 -11.369 8.906 -4.795 1.00 0.00 N ATOM 1792 CA GLY A 112 -12.616 9.099 -5.515 1.00 0.00 C ATOM 1793 C GLY A 112 -13.015 10.576 -5.533 1.00 0.00 C ATOM 1794 O GLY A 112 -12.871 11.250 -6.552 1.00 0.00 O ATOM 0 H GLY A 112 -11.462 8.419 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -12.510 8.735 -6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.405 8.511 -5.047 1.00 0.00 H new ATOM 1798 N SER A 113 -13.508 11.037 -4.393 1.00 0.00 N ATOM 1799 CA SER A 113 -13.929 12.422 -4.264 1.00 0.00 C ATOM 1800 C SER A 113 -12.766 13.356 -4.604 1.00 0.00 C ATOM 1801 O SER A 113 -11.745 13.356 -3.918 1.00 0.00 O ATOM 1802 CB SER A 113 -14.448 12.711 -2.855 1.00 0.00 C ATOM 1803 OG SER A 113 -15.378 13.791 -2.839 1.00 0.00 O ATOM 0 H SER A 113 -13.625 10.476 -3.550 1.00 0.00 H new ATOM 0 HA SER A 113 -14.745 12.598 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.924 11.817 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 113 -13.609 12.946 -2.201 1.00 0.00 H new ATOM 0 HG SER A 113 -15.687 13.943 -1.922 1.00 0.00 H new ATOM 1809 N GLY A 114 -12.959 14.129 -5.663 1.00 0.00 N ATOM 1810 CA GLY A 114 -11.939 15.066 -6.102 1.00 0.00 C ATOM 1811 C GLY A 114 -12.303 15.678 -7.455 1.00 0.00 C ATOM 1812 O GLY A 114 -13.442 15.565 -7.906 1.00 0.00 O ATOM 0 H GLY A 114 -13.807 14.125 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.823 15.857 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.979 14.555 -6.176 1.00 0.00 H new ATOM 1816 N PRO A 115 -11.288 16.331 -8.082 1.00 0.00 N ATOM 1817 CA PRO A 115 -11.490 16.962 -9.375 1.00 0.00 C ATOM 1818 C PRO A 115 -11.554 15.918 -10.491 1.00 0.00 C ATOM 1819 O PRO A 115 -11.093 14.790 -10.318 1.00 0.00 O ATOM 1820 CB PRO A 115 -10.325 17.926 -9.529 1.00 0.00 C ATOM 1821 CG PRO A 115 -9.269 17.465 -8.537 1.00 0.00 C ATOM 1822 CD PRO A 115 -9.927 16.486 -7.579 1.00 0.00 C ATOM 0 HA PRO A 115 -12.440 17.493 -9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -9.937 17.911 -10.548 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -10.635 18.950 -9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -8.438 16.990 -9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -8.859 18.316 -7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.400 15.532 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.924 16.868 -6.558 1.00 0.00 H new ATOM 1830 N SER A 116 -12.129 16.330 -11.612 1.00 0.00 N ATOM 1831 CA SER A 116 -12.258 15.443 -12.756 1.00 0.00 C ATOM 1832 C SER A 116 -13.172 14.267 -12.406 1.00 0.00 C ATOM 1833 O SER A 116 -12.749 13.324 -11.739 1.00 0.00 O ATOM 1834 CB SER A 116 -10.891 14.934 -13.216 1.00 0.00 C ATOM 1835 OG SER A 116 -10.007 16.002 -13.547 1.00 0.00 O ATOM 0 H SER A 116 -12.510 17.266 -11.752 1.00 0.00 H new ATOM 0 HA SER A 116 -12.700 16.007 -13.577 1.00 0.00 H new ATOM 0 HB2 SER A 116 -10.446 14.327 -12.428 1.00 0.00 H new ATOM 0 HB3 SER A 116 -11.018 14.287 -14.084 1.00 0.00 H new ATOM 0 HG SER A 116 -9.145 15.636 -13.834 1.00 0.00 H new ATOM 1841 N SER A 117 -14.409 14.361 -12.872 1.00 0.00 N ATOM 1842 CA SER A 117 -15.386 13.317 -12.616 1.00 0.00 C ATOM 1843 C SER A 117 -16.309 13.156 -13.826 1.00 0.00 C ATOM 1844 O SER A 117 -16.402 12.073 -14.401 1.00 0.00 O ATOM 1845 CB SER A 117 -16.205 13.624 -11.360 1.00 0.00 C ATOM 1846 OG SER A 117 -16.013 12.643 -10.345 1.00 0.00 O ATOM 0 H SER A 117 -14.757 15.144 -13.425 1.00 0.00 H new ATOM 0 HA SER A 117 -14.851 12.382 -12.448 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.924 14.604 -10.975 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.262 13.675 -11.620 1.00 0.00 H new ATOM 0 HG SER A 117 -16.551 12.875 -9.560 1.00 0.00 H new ATOM 1852 N GLY A 118 -16.969 14.251 -14.176 1.00 0.00 N ATOM 1853 CA GLY A 118 -17.881 14.245 -15.307 1.00 0.00 C ATOM 1854 C GLY A 118 -19.166 15.007 -14.978 1.00 0.00 C ATOM 1855 O GLY A 118 -19.238 15.702 -13.965 1.00 0.00 O ATOM 0 H GLY A 118 -16.890 15.148 -13.696 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -17.397 14.698 -16.172 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -18.123 13.217 -15.579 1.00 0.00 H new TER 1859 GLY A 118