USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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 86 GLN : amide:sc= -11.3! C(o=-10!,f=-24!) USER MOD Set 1.2: A 100 THR OG1 : rot 108:sc= 1.03 USER MOD Set 2.1: A 84 HIS : no HD1:sc= 0 X(o=0.16,f=0.16) USER MOD Set 2.2: A 88 THR OG1 : rot 80:sc= 0.16 USER MOD Set 3.1: A 47 SER OG : rot -105:sc= 0.821 USER MOD Set 3.2: A 56 HIS : no HD1:sc= 0.628 K(o=1.4,f=-2.5) USER MOD Single : A 5 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-5!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 9:sc= -1.18! USER MOD Single : A 12 ASN : amide:sc= -8.86! C(o=-8.9!,f=-12!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.8!) USER MOD Single : A 19 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.02) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc=-0.00367 (180deg=-0.161) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 90:sc= 0.0124 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -2.3! USER MOD Single : A 55 LYS NZ :NH3+ -139:sc= -12.1! (180deg=-22!) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0304 USER MOD Single : A 60 ASN : amide:sc= -0.0953 K(o=-0.095,f=-1.7!) USER MOD Single : A 77 SER OG : rot -41:sc= 0.0243 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.49) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 93 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-1) USER MOD Single : A 94 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -2.24 K(o=-2.2,f=-0.2) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -1.19 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 93.682 0.344 -14.353 1.00 0.00 N ATOM 31 CA LEU A 3 93.632 -0.020 -12.912 1.00 0.00 C ATOM 32 C LEU A 3 92.365 -0.813 -12.613 1.00 0.00 C ATOM 33 O LEU A 3 91.331 -0.604 -13.219 1.00 0.00 O ATOM 34 CB LEU A 3 93.644 1.251 -12.075 1.00 0.00 C ATOM 35 CG LEU A 3 95.043 1.850 -12.124 1.00 0.00 C ATOM 36 CD1 LEU A 3 95.235 2.585 -13.451 1.00 0.00 C ATOM 37 CD2 LEU A 3 95.221 2.815 -10.954 1.00 0.00 C ATOM 0 HA LEU A 3 94.499 -0.634 -12.667 1.00 0.00 H new ATOM 0 HB2 LEU A 3 92.914 1.964 -12.458 1.00 0.00 H new ATOM 0 HB3 LEU A 3 93.363 1.029 -11.045 1.00 0.00 H new ATOM 0 HG LEU A 3 95.788 1.058 -12.048 1.00 0.00 H new ATOM 0 HD11 LEU A 3 96.236 3.014 -13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 3 95.110 1.884 -14.276 1.00 0.00 H new ATOM 0 HD13 LEU A 3 94.495 3.381 -13.536 1.00 0.00 H new ATOM 0 HD21 LEU A 3 96.222 3.245 -10.986 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.481 3.612 -11.024 1.00 0.00 H new ATOM 0 HD23 LEU A 3 95.088 2.277 -10.015 1.00 0.00 H new ATOM 49 N PRO A 4 92.445 -1.716 -11.675 1.00 0.00 N ATOM 50 CA PRO A 4 91.288 -2.560 -11.271 1.00 0.00 C ATOM 51 C PRO A 4 90.171 -1.717 -10.644 1.00 0.00 C ATOM 52 O PRO A 4 89.113 -2.214 -10.307 1.00 0.00 O ATOM 53 CB PRO A 4 91.881 -3.543 -10.257 1.00 0.00 C ATOM 54 CG PRO A 4 93.120 -2.888 -9.747 1.00 0.00 C ATOM 55 CD PRO A 4 93.650 -2.029 -10.891 1.00 0.00 C ATOM 0 HA PRO A 4 90.825 -3.064 -12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 4 91.180 -3.742 -9.447 1.00 0.00 H new ATOM 0 HB3 PRO A 4 92.107 -4.501 -10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.905 -2.278 -8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 4 93.857 -3.632 -9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 4 94.135 -1.125 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 4 94.388 -2.566 -11.487 1.00 0.00 H new ATOM 63 N HIS A 5 90.399 -0.434 -10.498 1.00 0.00 N ATOM 64 CA HIS A 5 89.353 0.449 -9.907 1.00 0.00 C ATOM 65 C HIS A 5 88.159 0.502 -10.851 1.00 0.00 C ATOM 66 O HIS A 5 87.028 0.629 -10.431 1.00 0.00 O ATOM 67 CB HIS A 5 89.906 1.860 -9.718 1.00 0.00 C ATOM 68 CG HIS A 5 90.975 1.825 -8.670 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.768 1.244 -7.430 1.00 0.00 N ATOM 70 CD2 HIS A 5 92.268 2.282 -8.662 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.913 1.363 -6.731 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.860 1.991 -7.436 1.00 0.00 N ATOM 0 H HIS A 5 91.264 0.037 -10.763 1.00 0.00 H new ATOM 0 HA HIS A 5 89.050 0.051 -8.939 1.00 0.00 H new ATOM 0 HB2 HIS A 5 90.311 2.235 -10.658 1.00 0.00 H new ATOM 0 HB3 HIS A 5 89.108 2.541 -9.421 1.00 0.00 H new ATOM 0 HD1 HIS A 5 89.906 0.806 -7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.753 2.790 -9.482 1.00 0.00 H new ATOM 0 HE1 HIS A 5 92.050 0.996 -5.724 1.00 0.00 H new ATOM 80 N HIS A 6 88.397 0.402 -12.127 1.00 0.00 N ATOM 81 CA HIS A 6 87.263 0.442 -13.082 1.00 0.00 C ATOM 82 C HIS A 6 86.333 -0.739 -12.787 1.00 0.00 C ATOM 83 O HIS A 6 85.189 -0.756 -13.194 1.00 0.00 O ATOM 84 CB HIS A 6 87.792 0.351 -14.516 1.00 0.00 C ATOM 85 CG HIS A 6 88.640 1.558 -14.817 1.00 0.00 C ATOM 86 ND1 HIS A 6 88.148 2.851 -14.716 1.00 0.00 N ATOM 87 CD2 HIS A 6 89.949 1.685 -15.216 1.00 0.00 C ATOM 88 CE1 HIS A 6 89.146 3.692 -15.046 1.00 0.00 C ATOM 89 NE2 HIS A 6 90.265 3.034 -15.360 1.00 0.00 N ATOM 0 H HIS A 6 89.321 0.295 -12.546 1.00 0.00 H new ATOM 0 HA HIS A 6 86.714 1.377 -12.973 1.00 0.00 H new ATOM 0 HB2 HIS A 6 88.379 -0.559 -14.641 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.961 0.293 -15.218 1.00 0.00 H new ATOM 0 HD2 HIS A 6 90.629 0.864 -15.391 1.00 0.00 H new ATOM 0 HE1 HIS A 6 89.053 4.768 -15.056 1.00 0.00 H new ATOM 0 HE2 HIS A 6 91.159 3.434 -15.644 1.00 0.00 H new ATOM 97 N ASP A 7 86.820 -1.730 -12.082 1.00 0.00 N ATOM 98 CA ASP A 7 85.971 -2.915 -11.762 1.00 0.00 C ATOM 99 C ASP A 7 85.362 -2.771 -10.363 1.00 0.00 C ATOM 100 O ASP A 7 86.046 -2.859 -9.362 1.00 0.00 O ATOM 101 CB ASP A 7 86.836 -4.173 -11.808 1.00 0.00 C ATOM 102 CG ASP A 7 87.252 -4.439 -13.253 1.00 0.00 C ATOM 103 OD1 ASP A 7 86.577 -3.941 -14.140 1.00 0.00 O ATOM 104 OD2 ASP A 7 88.235 -5.133 -13.449 1.00 0.00 O ATOM 0 H ASP A 7 87.771 -1.768 -11.714 1.00 0.00 H new ATOM 0 HA ASP A 7 85.165 -2.985 -12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 7 87.718 -4.047 -11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 7 86.283 -5.025 -11.413 1.00 0.00 H new ATOM 109 N GLU A 8 84.077 -2.563 -10.292 1.00 0.00 N ATOM 110 CA GLU A 8 83.398 -2.416 -8.976 1.00 0.00 C ATOM 111 C GLU A 8 83.395 -3.755 -8.244 1.00 0.00 C ATOM 112 O GLU A 8 83.404 -3.819 -7.031 1.00 0.00 O ATOM 113 CB GLU A 8 81.960 -1.965 -9.217 1.00 0.00 C ATOM 114 CG GLU A 8 81.301 -1.625 -7.887 1.00 0.00 C ATOM 115 CD GLU A 8 79.813 -1.354 -8.109 1.00 0.00 C ATOM 116 OE1 GLU A 8 79.372 -1.485 -9.237 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.139 -1.018 -7.150 1.00 0.00 O ATOM 0 H GLU A 8 83.461 -2.488 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 8 83.925 -1.681 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 8 81.946 -1.095 -9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 8 81.401 -2.753 -9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.431 -2.448 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.779 -0.750 -7.445 1.00 0.00 H new ATOM 124 N LYS A 9 83.360 -4.822 -8.976 1.00 0.00 N ATOM 125 CA LYS A 9 83.331 -6.171 -8.350 1.00 0.00 C ATOM 126 C LYS A 9 84.676 -6.489 -7.679 1.00 0.00 C ATOM 127 O LYS A 9 84.794 -7.459 -6.957 1.00 0.00 O ATOM 128 CB LYS A 9 83.061 -7.194 -9.457 1.00 0.00 C ATOM 129 CG LYS A 9 84.271 -7.204 -10.400 1.00 0.00 C ATOM 130 CD LYS A 9 83.850 -7.472 -11.852 1.00 0.00 C ATOM 131 CE LYS A 9 84.822 -6.747 -12.792 1.00 0.00 C ATOM 132 NZ LYS A 9 84.634 -7.236 -14.189 1.00 0.00 N ATOM 0 H LYS A 9 83.350 -4.822 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 9 82.554 -6.205 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.903 -8.184 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 9 82.154 -6.934 -10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 9 84.788 -6.246 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 9 84.978 -7.968 -10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.857 -8.543 -12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 9 82.831 -7.122 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 9 84.651 -5.671 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.849 -6.920 -12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 85.295 -6.742 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 84.818 -8.259 -14.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 83.657 -7.049 -14.494 1.00 0.00 H new ATOM 146 N THR A 10 85.695 -5.708 -7.923 1.00 0.00 N ATOM 147 CA THR A 10 87.023 -6.016 -7.305 1.00 0.00 C ATOM 148 C THR A 10 87.155 -5.433 -5.883 1.00 0.00 C ATOM 149 O THR A 10 87.940 -5.915 -5.086 1.00 0.00 O ATOM 150 CB THR A 10 88.137 -5.485 -8.216 1.00 0.00 C ATOM 151 OG1 THR A 10 87.937 -4.104 -8.470 1.00 0.00 O ATOM 152 CG2 THR A 10 88.122 -6.257 -9.536 1.00 0.00 C ATOM 0 H THR A 10 85.669 -4.879 -8.516 1.00 0.00 H new ATOM 0 HA THR A 10 87.111 -7.098 -7.206 1.00 0.00 H new ATOM 0 HB THR A 10 89.100 -5.620 -7.724 1.00 0.00 H new ATOM 0 HG1 THR A 10 87.213 -3.768 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.913 -5.882 -10.186 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.286 -7.317 -9.340 1.00 0.00 H new ATOM 0 HG23 THR A 10 87.157 -6.123 -10.025 1.00 0.00 H new ATOM 160 N TRP A 11 86.405 -4.422 -5.538 1.00 0.00 N ATOM 161 CA TRP A 11 86.526 -3.869 -4.151 1.00 0.00 C ATOM 162 C TRP A 11 85.172 -3.918 -3.455 1.00 0.00 C ATOM 163 O TRP A 11 85.090 -3.988 -2.247 1.00 0.00 O ATOM 164 CB TRP A 11 87.017 -2.419 -4.194 1.00 0.00 C ATOM 165 CG TRP A 11 86.778 -1.858 -5.553 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.429 -2.251 -6.664 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.849 -0.817 -5.965 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.944 -1.542 -7.746 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.971 -0.634 -7.366 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.919 -0.028 -5.269 1.00 0.00 C ATOM 171 CZ2 TRP A 11 85.189 0.305 -8.049 1.00 0.00 C ATOM 172 CZ3 TRP A 11 84.137 0.915 -5.949 1.00 0.00 C ATOM 173 CH2 TRP A 11 84.270 1.081 -7.338 1.00 0.00 C ATOM 0 H TRP A 11 85.725 -3.959 -6.141 1.00 0.00 H new ATOM 0 HA TRP A 11 87.246 -4.474 -3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.494 -1.824 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 11 88.079 -2.375 -3.952 1.00 0.00 H new ATOM 0 HD1 TRP A 11 88.206 -3.000 -6.703 1.00 0.00 H new ATOM 0 HE1 TRP A 11 87.263 -1.672 -8.706 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.806 -0.149 -4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 85.295 0.429 -9.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.427 1.518 -5.402 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.662 1.808 -7.856 1.00 0.00 H new ATOM 184 N ASN A 12 84.101 -3.879 -4.197 1.00 0.00 N ATOM 185 CA ASN A 12 82.769 -3.912 -3.545 1.00 0.00 C ATOM 186 C ASN A 12 82.412 -5.343 -3.171 1.00 0.00 C ATOM 187 O ASN A 12 82.698 -6.280 -3.885 1.00 0.00 O ATOM 188 CB ASN A 12 81.709 -3.319 -4.483 1.00 0.00 C ATOM 189 CG ASN A 12 81.234 -4.356 -5.506 1.00 0.00 C ATOM 190 OD1 ASN A 12 81.831 -5.401 -5.665 1.00 0.00 O ATOM 191 ND2 ASN A 12 80.173 -4.095 -6.221 1.00 0.00 N ATOM 0 H ASN A 12 84.092 -3.826 -5.216 1.00 0.00 H new ATOM 0 HA ASN A 12 82.800 -3.311 -2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 12 80.860 -2.965 -3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 12 82.122 -2.454 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 12 79.846 -4.769 -6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.671 -3.217 -6.087 1.00 0.00 H new ATOM 198 N VAL A 13 81.789 -5.518 -2.047 1.00 0.00 N ATOM 199 CA VAL A 13 81.399 -6.885 -1.621 1.00 0.00 C ATOM 200 C VAL A 13 79.876 -6.966 -1.658 1.00 0.00 C ATOM 201 O VAL A 13 79.294 -8.031 -1.666 1.00 0.00 O ATOM 202 CB VAL A 13 81.899 -7.139 -0.202 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.134 -6.242 0.761 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.669 -8.605 0.175 1.00 0.00 C ATOM 0 H VAL A 13 81.531 -4.772 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 13 81.835 -7.634 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 13 82.965 -6.920 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.485 -6.417 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 13 81.299 -5.198 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 13 80.069 -6.468 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.028 -8.781 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 13 80.604 -8.831 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.211 -9.248 -0.518 1.00 0.00 H new ATOM 214 N GLY A 14 79.232 -5.829 -1.696 1.00 0.00 N ATOM 215 CA GLY A 14 77.743 -5.804 -1.752 1.00 0.00 C ATOM 216 C GLY A 14 77.171 -6.075 -0.367 1.00 0.00 C ATOM 217 O GLY A 14 77.861 -5.992 0.627 1.00 0.00 O ATOM 0 H GLY A 14 79.678 -4.912 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.400 -4.835 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.384 -6.554 -2.457 1.00 0.00 H new ATOM 221 N SER A 15 75.915 -6.403 -0.290 1.00 0.00 N ATOM 222 CA SER A 15 75.316 -6.680 1.041 1.00 0.00 C ATOM 223 C SER A 15 76.099 -7.819 1.701 1.00 0.00 C ATOM 224 O SER A 15 76.385 -8.824 1.080 1.00 0.00 O ATOM 225 CB SER A 15 73.857 -7.104 0.872 1.00 0.00 C ATOM 226 OG SER A 15 73.813 -8.426 0.347 1.00 0.00 O ATOM 0 H SER A 15 75.281 -6.491 -1.084 1.00 0.00 H new ATOM 0 HA SER A 15 75.359 -5.783 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.340 -7.063 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.341 -6.416 0.202 1.00 0.00 H new ATOM 0 HG SER A 15 72.880 -8.704 0.238 1.00 0.00 H new ATOM 232 N SER A 16 76.448 -7.671 2.950 1.00 0.00 N ATOM 233 CA SER A 16 77.213 -8.752 3.645 1.00 0.00 C ATOM 234 C SER A 16 77.322 -8.419 5.139 1.00 0.00 C ATOM 235 O SER A 16 77.264 -7.273 5.531 1.00 0.00 O ATOM 236 CB SER A 16 78.615 -8.857 3.039 1.00 0.00 C ATOM 237 OG SER A 16 79.322 -9.918 3.670 1.00 0.00 O ATOM 0 H SER A 16 76.238 -6.852 3.520 1.00 0.00 H new ATOM 0 HA SER A 16 76.694 -9.703 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 16 78.547 -9.037 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 16 79.152 -7.918 3.171 1.00 0.00 H new ATOM 0 HG SER A 16 80.219 -9.989 3.283 1.00 0.00 H new ATOM 243 N ASN A 17 77.485 -9.407 5.975 1.00 0.00 N ATOM 244 CA ASN A 17 77.607 -9.129 7.435 1.00 0.00 C ATOM 245 C ASN A 17 79.004 -8.584 7.732 1.00 0.00 C ATOM 246 O ASN A 17 79.978 -8.972 7.115 1.00 0.00 O ATOM 247 CB ASN A 17 77.380 -10.414 8.231 1.00 0.00 C ATOM 248 CG ASN A 17 75.908 -10.817 8.136 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.086 -10.060 7.654 1.00 0.00 O ATOM 250 ND2 ASN A 17 75.538 -11.982 8.581 1.00 0.00 N ATOM 0 H ASN A 17 77.539 -10.391 5.713 1.00 0.00 H new ATOM 0 HA ASN A 17 76.857 -8.393 7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.013 -11.212 7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.661 -10.264 9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 17 74.559 -12.261 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 17 76.227 -12.616 8.985 1.00 0.00 H new ATOM 257 N ARG A 18 79.109 -7.680 8.664 1.00 0.00 N ATOM 258 CA ARG A 18 80.440 -7.104 9.002 1.00 0.00 C ATOM 259 C ARG A 18 81.404 -8.206 9.470 1.00 0.00 C ATOM 260 O ARG A 18 82.575 -8.192 9.139 1.00 0.00 O ATOM 261 CB ARG A 18 80.271 -6.050 10.095 1.00 0.00 C ATOM 262 CG ARG A 18 79.595 -4.809 9.502 1.00 0.00 C ATOM 263 CD ARG A 18 79.471 -3.732 10.579 1.00 0.00 C ATOM 264 NE ARG A 18 78.508 -4.185 11.624 1.00 0.00 N ATOM 265 CZ ARG A 18 78.436 -3.555 12.767 1.00 0.00 C ATOM 266 NH1 ARG A 18 79.184 -2.509 12.989 1.00 0.00 N ATOM 267 NH2 ARG A 18 77.603 -3.961 13.686 1.00 0.00 N ATOM 0 H ARG A 18 78.328 -7.314 9.208 1.00 0.00 H new ATOM 0 HA ARG A 18 80.864 -6.639 8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.670 -6.450 10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.242 -5.784 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.177 -4.432 8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.609 -5.068 9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 18 80.445 -3.536 11.027 1.00 0.00 H new ATOM 0 HD3 ARG A 18 79.130 -2.796 10.136 1.00 0.00 H new ATOM 0 HE ARG A 18 77.905 -4.988 11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 18 79.828 -2.180 12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 18 79.125 -2.020 13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 18 77.007 -4.771 13.513 1.00 0.00 H new ATOM 0 HH22 ARG A 18 77.548 -3.469 14.578 1.00 0.00 H new ATOM 281 N ASN A 19 80.935 -9.158 10.238 1.00 0.00 N ATOM 282 CA ASN A 19 81.853 -10.243 10.713 1.00 0.00 C ATOM 283 C ASN A 19 82.469 -10.944 9.497 1.00 0.00 C ATOM 284 O ASN A 19 83.638 -11.279 9.487 1.00 0.00 O ATOM 285 CB ASN A 19 81.066 -11.250 11.564 1.00 0.00 C ATOM 286 CG ASN A 19 82.018 -12.260 12.219 1.00 0.00 C ATOM 287 OD1 ASN A 19 81.581 -13.271 12.735 1.00 0.00 O ATOM 288 ND2 ASN A 19 83.305 -12.035 12.228 1.00 0.00 N ATOM 0 H ASN A 19 79.968 -9.233 10.554 1.00 0.00 H new ATOM 0 HA ASN A 19 82.648 -9.815 11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.501 -10.722 12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.342 -11.775 10.940 1.00 0.00 H new ATOM 0 HD21 ASN A 19 83.937 -12.705 12.666 1.00 0.00 H new ATOM 0 HD22 ASN A 19 83.678 -11.189 11.797 1.00 0.00 H new ATOM 295 N LYS A 20 81.699 -11.143 8.463 1.00 0.00 N ATOM 296 CA LYS A 20 82.247 -11.798 7.241 1.00 0.00 C ATOM 297 C LYS A 20 83.423 -10.971 6.733 1.00 0.00 C ATOM 298 O LYS A 20 84.388 -11.495 6.213 1.00 0.00 O ATOM 299 CB LYS A 20 81.160 -11.854 6.164 1.00 0.00 C ATOM 300 CG LYS A 20 81.682 -12.605 4.931 1.00 0.00 C ATOM 301 CD LYS A 20 81.599 -14.120 5.154 1.00 0.00 C ATOM 302 CE LYS A 20 81.240 -14.818 3.835 1.00 0.00 C ATOM 303 NZ LYS A 20 79.800 -14.588 3.510 1.00 0.00 N ATOM 0 H LYS A 20 80.715 -10.881 8.411 1.00 0.00 H new ATOM 0 HA LYS A 20 82.575 -12.811 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.274 -12.353 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.860 -10.844 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 20 81.098 -12.327 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.714 -12.316 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 20 82.552 -14.495 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.849 -14.345 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 20 81.868 -14.437 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.437 -15.887 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 79.482 -15.299 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.231 -14.667 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.683 -13.637 3.105 1.00 0.00 H new ATOM 317 N ALA A 21 83.351 -9.680 6.886 1.00 0.00 N ATOM 318 CA ALA A 21 84.467 -8.822 6.423 1.00 0.00 C ATOM 319 C ALA A 21 85.727 -9.186 7.213 1.00 0.00 C ATOM 320 O ALA A 21 86.820 -9.174 6.692 1.00 0.00 O ATOM 321 CB ALA A 21 84.109 -7.356 6.661 1.00 0.00 C ATOM 0 H ALA A 21 82.567 -9.185 7.312 1.00 0.00 H new ATOM 0 HA ALA A 21 84.645 -8.976 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.928 -6.722 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.204 -7.108 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.939 -7.191 7.725 1.00 0.00 H new ATOM 327 N GLU A 22 85.580 -9.514 8.467 1.00 0.00 N ATOM 328 CA GLU A 22 86.768 -9.884 9.287 1.00 0.00 C ATOM 329 C GLU A 22 87.507 -11.036 8.605 1.00 0.00 C ATOM 330 O GLU A 22 88.700 -10.971 8.384 1.00 0.00 O ATOM 331 CB GLU A 22 86.297 -10.304 10.683 1.00 0.00 C ATOM 332 CG GLU A 22 87.491 -10.727 11.538 1.00 0.00 C ATOM 333 CD GLU A 22 87.013 -11.016 12.963 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.948 -10.539 13.315 1.00 0.00 O ATOM 335 OE2 GLU A 22 87.717 -11.713 13.677 1.00 0.00 O ATOM 0 H GLU A 22 84.687 -9.542 8.960 1.00 0.00 H new ATOM 0 HA GLU A 22 87.445 -9.035 9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.772 -9.477 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 85.588 -11.128 10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 22 87.962 -11.613 11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 22 88.244 -9.939 11.547 1.00 0.00 H new ATOM 342 N ASN A 23 86.812 -12.077 8.238 1.00 0.00 N ATOM 343 CA ASN A 23 87.492 -13.197 7.540 1.00 0.00 C ATOM 344 C ASN A 23 88.101 -12.656 6.245 1.00 0.00 C ATOM 345 O ASN A 23 89.233 -12.940 5.908 1.00 0.00 O ATOM 346 CB ASN A 23 86.474 -14.286 7.211 1.00 0.00 C ATOM 347 CG ASN A 23 87.193 -15.493 6.612 1.00 0.00 C ATOM 348 OD1 ASN A 23 88.189 -15.949 7.142 1.00 0.00 O ATOM 349 ND2 ASN A 23 86.726 -16.031 5.523 1.00 0.00 N ATOM 0 H ASN A 23 85.811 -12.198 8.391 1.00 0.00 H new ATOM 0 HA ASN A 23 88.271 -13.620 8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.937 -14.580 8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 23 85.733 -13.905 6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 23 87.195 -16.838 5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 23 85.891 -15.646 5.082 1.00 0.00 H new ATOM 356 N LEU A 24 87.356 -11.857 5.529 1.00 0.00 N ATOM 357 CA LEU A 24 87.881 -11.272 4.264 1.00 0.00 C ATOM 358 C LEU A 24 89.021 -10.307 4.600 1.00 0.00 C ATOM 359 O LEU A 24 89.943 -10.131 3.832 1.00 0.00 O ATOM 360 CB LEU A 24 86.753 -10.526 3.546 1.00 0.00 C ATOM 361 CG LEU A 24 85.738 -11.537 3.015 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.500 -10.802 2.500 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.373 -12.334 1.873 1.00 0.00 C ATOM 0 H LEU A 24 86.403 -11.584 5.768 1.00 0.00 H new ATOM 0 HA LEU A 24 88.256 -12.060 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.267 -9.831 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.158 -9.934 2.725 1.00 0.00 H new ATOM 0 HG LEU A 24 85.444 -12.215 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.778 -11.526 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.051 -10.232 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.788 -10.123 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.653 -13.057 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.665 -11.654 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.254 -12.859 2.242 1.00 0.00 H new ATOM 375 N LEU A 25 88.969 -9.686 5.751 1.00 0.00 N ATOM 376 CA LEU A 25 90.056 -8.741 6.142 1.00 0.00 C ATOM 377 C LEU A 25 91.114 -9.488 6.955 1.00 0.00 C ATOM 378 O LEU A 25 92.151 -8.951 7.287 1.00 0.00 O ATOM 379 CB LEU A 25 89.469 -7.613 6.992 1.00 0.00 C ATOM 380 CG LEU A 25 88.585 -6.720 6.119 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.423 -6.172 6.954 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.424 -5.554 5.585 1.00 0.00 C ATOM 0 H LEU A 25 88.221 -9.793 6.436 1.00 0.00 H new ATOM 0 HA LEU A 25 90.513 -8.323 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.885 -8.029 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.271 -7.024 7.437 1.00 0.00 H new ATOM 0 HG LEU A 25 88.187 -7.300 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.795 -5.536 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.830 -7.001 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 25 87.817 -5.588 7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.801 -4.913 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.817 -4.976 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.252 -5.943 4.992 1.00 0.00 H new ATOM 394 N ARG A 26 90.857 -10.723 7.279 1.00 0.00 N ATOM 395 CA ARG A 26 91.838 -11.516 8.068 1.00 0.00 C ATOM 396 C ARG A 26 92.624 -12.442 7.132 1.00 0.00 C ATOM 397 O ARG A 26 92.070 -13.047 6.237 1.00 0.00 O ATOM 398 CB ARG A 26 91.087 -12.321 9.134 1.00 0.00 C ATOM 399 CG ARG A 26 90.812 -11.428 10.348 1.00 0.00 C ATOM 400 CD ARG A 26 90.467 -12.302 11.553 1.00 0.00 C ATOM 401 NE ARG A 26 89.870 -11.452 12.637 1.00 0.00 N ATOM 402 CZ ARG A 26 90.471 -10.375 13.074 1.00 0.00 C ATOM 403 NH1 ARG A 26 91.688 -10.087 12.692 1.00 0.00 N ATOM 404 NH2 ARG A 26 89.865 -9.607 13.939 1.00 0.00 N ATOM 0 H ARG A 26 90.003 -11.221 7.029 1.00 0.00 H new ATOM 0 HA ARG A 26 92.547 -10.852 8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.149 -12.698 8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.676 -13.188 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.686 -10.815 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 26 89.990 -10.745 10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 26 89.764 -13.082 11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 26 91.363 -12.802 11.921 1.00 0.00 H new ATOM 0 HE ARG A 26 88.974 -11.721 13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 26 92.180 -10.705 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 26 92.146 -9.244 13.040 1.00 0.00 H new ATOM 0 HH21 ARG A 26 88.930 -9.849 14.269 1.00 0.00 H new ATOM 0 HH22 ARG A 26 90.326 -8.766 14.285 1.00 0.00 H new ATOM 418 N GLY A 27 93.914 -12.547 7.322 1.00 0.00 N ATOM 419 CA GLY A 27 94.737 -13.422 6.436 1.00 0.00 C ATOM 420 C GLY A 27 95.190 -12.630 5.206 1.00 0.00 C ATOM 421 O GLY A 27 95.895 -13.135 4.356 1.00 0.00 O ATOM 0 H GLY A 27 94.434 -12.063 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.605 -13.794 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.157 -14.292 6.127 1.00 0.00 H new ATOM 425 N LYS A 28 94.780 -11.397 5.093 1.00 0.00 N ATOM 426 CA LYS A 28 95.168 -10.581 3.915 1.00 0.00 C ATOM 427 C LYS A 28 96.271 -9.595 4.302 1.00 0.00 C ATOM 428 O LYS A 28 96.335 -9.111 5.415 1.00 0.00 O ATOM 429 CB LYS A 28 93.942 -9.822 3.417 1.00 0.00 C ATOM 430 CG LYS A 28 92.844 -10.831 3.080 1.00 0.00 C ATOM 431 CD LYS A 28 92.282 -10.531 1.696 1.00 0.00 C ATOM 432 CE LYS A 28 93.249 -11.048 0.631 1.00 0.00 C ATOM 433 NZ LYS A 28 92.604 -10.950 -0.707 1.00 0.00 N ATOM 0 H LYS A 28 94.189 -10.919 5.773 1.00 0.00 H new ATOM 0 HA LYS A 28 95.545 -11.231 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.594 -9.125 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.195 -9.231 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.246 -11.844 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.050 -10.782 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.307 -11.003 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.133 -9.458 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 28 94.171 -10.466 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 28 93.521 -12.082 0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 93.259 -11.301 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 91.736 -11.523 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 92.366 -9.957 -0.906 1.00 0.00 H new ATOM 447 N ARG A 29 97.142 -9.308 3.383 1.00 0.00 N ATOM 448 CA ARG A 29 98.262 -8.369 3.669 1.00 0.00 C ATOM 449 C ARG A 29 97.760 -6.924 3.714 1.00 0.00 C ATOM 450 O ARG A 29 96.699 -6.603 3.217 1.00 0.00 O ATOM 451 CB ARG A 29 99.313 -8.494 2.573 1.00 0.00 C ATOM 452 CG ARG A 29 99.929 -9.889 2.630 1.00 0.00 C ATOM 453 CD ARG A 29 101.080 -9.969 1.634 1.00 0.00 C ATOM 454 NE ARG A 29 100.940 -11.203 0.802 1.00 0.00 N ATOM 455 CZ ARG A 29 100.641 -12.356 1.350 1.00 0.00 C ATOM 456 NH1 ARG A 29 100.461 -12.454 2.640 1.00 0.00 N ATOM 457 NH2 ARG A 29 100.517 -13.414 0.598 1.00 0.00 N ATOM 0 H ARG A 29 97.129 -9.686 2.436 1.00 0.00 H new ATOM 0 HA ARG A 29 98.691 -8.624 4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.860 -8.322 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 29 100.085 -7.736 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.288 -10.100 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 29 99.176 -10.642 2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 29 101.083 -9.086 0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 29 102.032 -9.982 2.164 1.00 0.00 H new ATOM 0 HE ARG A 29 101.079 -11.147 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 29 100.553 -11.628 3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 29 100.229 -13.356 3.055 1.00 0.00 H new ATOM 0 HH21 ARG A 29 100.652 -13.342 -0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 29 100.285 -14.314 1.018 1.00 0.00 H new ATOM 471 N ASP A 30 98.526 -6.050 4.305 1.00 0.00 N ATOM 472 CA ASP A 30 98.110 -4.624 4.387 1.00 0.00 C ATOM 473 C ASP A 30 97.931 -4.059 2.980 1.00 0.00 C ATOM 474 O ASP A 30 98.670 -4.381 2.072 1.00 0.00 O ATOM 475 CB ASP A 30 99.191 -3.821 5.101 1.00 0.00 C ATOM 476 CG ASP A 30 98.711 -2.380 5.276 1.00 0.00 C ATOM 477 OD1 ASP A 30 97.563 -2.120 4.961 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.498 -1.562 5.724 1.00 0.00 O ATOM 0 H ASP A 30 99.425 -6.264 4.736 1.00 0.00 H new ATOM 0 HA ASP A 30 97.170 -4.558 4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.409 -4.265 6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 30 100.117 -3.842 4.526 1.00 0.00 H new ATOM 483 N GLY A 31 96.957 -3.212 2.793 1.00 0.00 N ATOM 484 CA GLY A 31 96.738 -2.623 1.438 1.00 0.00 C ATOM 485 C GLY A 31 95.492 -3.245 0.811 1.00 0.00 C ATOM 486 O GLY A 31 94.850 -2.652 -0.034 1.00 0.00 O ATOM 0 H GLY A 31 96.305 -2.902 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.620 -1.542 1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.607 -2.805 0.805 1.00 0.00 H new ATOM 490 N THR A 32 95.138 -4.430 1.221 1.00 0.00 N ATOM 491 CA THR A 32 93.927 -5.074 0.648 1.00 0.00 C ATOM 492 C THR A 32 92.691 -4.477 1.315 1.00 0.00 C ATOM 493 O THR A 32 92.554 -4.515 2.519 1.00 0.00 O ATOM 494 CB THR A 32 93.979 -6.577 0.919 1.00 0.00 C ATOM 495 OG1 THR A 32 95.187 -7.113 0.393 1.00 0.00 O ATOM 496 CG2 THR A 32 92.781 -7.249 0.246 1.00 0.00 C ATOM 0 H THR A 32 95.633 -4.978 1.925 1.00 0.00 H new ATOM 0 HA THR A 32 93.885 -4.903 -0.428 1.00 0.00 H new ATOM 0 HB THR A 32 93.944 -6.759 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.889 -7.070 1.076 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.812 -8.322 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.857 -6.836 0.651 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.819 -7.069 -0.828 1.00 0.00 H new ATOM 504 N PHE A 33 91.786 -3.913 0.557 1.00 0.00 N ATOM 505 CA PHE A 33 90.580 -3.318 1.196 1.00 0.00 C ATOM 506 C PHE A 33 89.312 -3.729 0.446 1.00 0.00 C ATOM 507 O PHE A 33 89.361 -4.353 -0.597 1.00 0.00 O ATOM 508 CB PHE A 33 90.704 -1.790 1.213 1.00 0.00 C ATOM 509 CG PHE A 33 89.825 -1.170 0.149 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.191 -1.209 -1.203 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.641 -0.542 0.529 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.360 -0.615 -2.162 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.819 0.047 -0.436 1.00 0.00 C ATOM 514 CZ PHE A 33 88.178 0.009 -1.773 1.00 0.00 C ATOM 0 H PHE A 33 91.830 -3.840 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 33 90.510 -3.688 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.421 -1.408 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.742 -1.503 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.108 -1.694 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.358 -0.510 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.637 -0.641 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.902 0.533 -0.138 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.540 0.464 -2.515 1.00 0.00 H new ATOM 524 N LEU A 34 88.176 -3.377 0.982 1.00 0.00 N ATOM 525 CA LEU A 34 86.892 -3.735 0.321 1.00 0.00 C ATOM 526 C LEU A 34 85.840 -2.675 0.634 1.00 0.00 C ATOM 527 O LEU A 34 85.953 -1.943 1.597 1.00 0.00 O ATOM 528 CB LEU A 34 86.414 -5.088 0.844 1.00 0.00 C ATOM 529 CG LEU A 34 86.019 -4.967 2.321 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.546 -5.348 2.485 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.888 -5.912 3.154 1.00 0.00 C ATOM 0 H LEU A 34 88.083 -2.855 1.853 1.00 0.00 H new ATOM 0 HA LEU A 34 87.044 -3.789 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.562 -5.434 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.203 -5.831 0.729 1.00 0.00 H new ATOM 0 HG LEU A 34 86.168 -3.941 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.263 -5.263 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.928 -4.678 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.396 -6.375 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.611 -5.830 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.736 -6.938 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.937 -5.643 3.033 1.00 0.00 H new ATOM 543 N VAL A 35 84.807 -2.598 -0.157 1.00 0.00 N ATOM 544 CA VAL A 35 83.747 -1.598 0.117 1.00 0.00 C ATOM 545 C VAL A 35 82.483 -2.333 0.577 1.00 0.00 C ATOM 546 O VAL A 35 82.017 -3.253 -0.067 1.00 0.00 O ATOM 547 CB VAL A 35 83.464 -0.770 -1.146 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.195 0.060 -0.956 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.631 0.179 -1.407 1.00 0.00 C ATOM 0 H VAL A 35 84.654 -3.184 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 35 84.073 -0.915 0.902 1.00 0.00 H new ATOM 0 HB VAL A 35 83.336 -1.450 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 35 82.003 0.643 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.351 -0.604 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.324 0.733 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.429 0.766 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.754 0.848 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.545 -0.398 -1.549 1.00 0.00 H new ATOM 559 N ARG A 36 81.933 -1.939 1.694 1.00 0.00 N ATOM 560 CA ARG A 36 80.708 -2.614 2.204 1.00 0.00 C ATOM 561 C ARG A 36 79.836 -1.571 2.886 1.00 0.00 C ATOM 562 O ARG A 36 80.154 -0.401 2.891 1.00 0.00 O ATOM 563 CB ARG A 36 81.089 -3.687 3.226 1.00 0.00 C ATOM 564 CG ARG A 36 81.743 -3.016 4.431 1.00 0.00 C ATOM 565 CD ARG A 36 82.193 -4.080 5.433 1.00 0.00 C ATOM 566 NE ARG A 36 81.747 -3.697 6.808 1.00 0.00 N ATOM 567 CZ ARG A 36 81.879 -2.468 7.237 1.00 0.00 C ATOM 568 NH1 ARG A 36 82.421 -1.560 6.475 1.00 0.00 N ATOM 569 NH2 ARG A 36 81.472 -2.147 8.436 1.00 0.00 N ATOM 0 H ARG A 36 82.281 -1.177 2.276 1.00 0.00 H new ATOM 0 HA ARG A 36 80.175 -3.082 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 36 80.204 -4.241 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.774 -4.407 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.598 -2.422 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 36 81.039 -2.331 4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.775 -5.049 5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 36 83.278 -4.182 5.407 1.00 0.00 H new ATOM 0 HE ARG A 36 81.335 -4.402 7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 36 82.745 -1.806 5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.522 -0.603 6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 36 81.051 -2.855 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 36 81.575 -1.189 8.770 1.00 0.00 H new ATOM 583 N GLU A 37 78.747 -1.971 3.477 1.00 0.00 N ATOM 584 CA GLU A 37 77.889 -0.979 4.159 1.00 0.00 C ATOM 585 C GLU A 37 78.109 -1.105 5.658 1.00 0.00 C ATOM 586 O GLU A 37 78.719 -2.048 6.122 1.00 0.00 O ATOM 587 CB GLU A 37 76.423 -1.256 3.816 1.00 0.00 C ATOM 588 CG GLU A 37 76.231 -1.118 2.308 1.00 0.00 C ATOM 589 CD GLU A 37 74.775 -1.416 1.943 1.00 0.00 C ATOM 590 OE1 GLU A 37 74.048 -1.867 2.812 1.00 0.00 O ATOM 591 OE2 GLU A 37 74.413 -1.185 0.800 1.00 0.00 O ATOM 0 H GLU A 37 78.419 -2.936 3.515 1.00 0.00 H new ATOM 0 HA GLU A 37 78.140 0.031 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.143 -2.258 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.774 -0.557 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.497 -0.110 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.895 -1.804 1.783 1.00 0.00 H new ATOM 677 N TYR A 44 77.156 3.404 3.940 1.00 0.00 N ATOM 678 CA TYR A 44 78.288 2.862 3.132 1.00 0.00 C ATOM 679 C TYR A 44 79.571 2.854 3.973 1.00 0.00 C ATOM 680 O TYR A 44 79.802 3.745 4.761 1.00 0.00 O ATOM 681 CB TYR A 44 78.474 3.750 1.900 1.00 0.00 C ATOM 682 CG TYR A 44 77.250 3.627 1.024 1.00 0.00 C ATOM 683 CD1 TYR A 44 77.196 2.632 0.041 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.163 4.496 1.202 1.00 0.00 C ATOM 685 CE1 TYR A 44 76.060 2.504 -0.766 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.027 4.368 0.392 1.00 0.00 C ATOM 687 CZ TYR A 44 74.975 3.371 -0.590 1.00 0.00 C ATOM 688 OH TYR A 44 73.854 3.241 -1.385 1.00 0.00 O ATOM 0 HA TYR A 44 78.071 1.840 2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.620 4.787 2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.365 3.449 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 44 78.032 1.962 -0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.202 5.262 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 44 76.020 1.736 -1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.191 5.039 0.525 1.00 0.00 H new ATOM 0 HH TYR A 44 73.193 3.920 -1.133 1.00 0.00 H new ATOM 698 N ALA A 45 80.411 1.858 3.827 1.00 0.00 N ATOM 699 CA ALA A 45 81.655 1.832 4.642 1.00 0.00 C ATOM 700 C ALA A 45 82.688 0.908 4.002 1.00 0.00 C ATOM 701 O ALA A 45 82.387 -0.205 3.620 1.00 0.00 O ATOM 702 CB ALA A 45 81.322 1.326 6.045 1.00 0.00 C ATOM 0 H ALA A 45 80.288 1.074 3.186 1.00 0.00 H new ATOM 0 HA ALA A 45 82.069 2.839 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.229 1.304 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.594 1.992 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.905 0.321 5.980 1.00 0.00 H new ATOM 708 N CYS A 46 83.908 1.356 3.898 1.00 0.00 N ATOM 709 CA CYS A 46 84.958 0.496 3.298 1.00 0.00 C ATOM 710 C CYS A 46 85.886 -0.019 4.391 1.00 0.00 C ATOM 711 O CYS A 46 86.301 0.707 5.270 1.00 0.00 O ATOM 712 CB CYS A 46 85.758 1.287 2.260 1.00 0.00 C ATOM 713 SG CYS A 46 86.386 2.818 2.987 1.00 0.00 S ATOM 0 H CYS A 46 84.220 2.278 4.202 1.00 0.00 H new ATOM 0 HA CYS A 46 84.484 -0.351 2.802 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.588 0.683 1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 46 85.127 1.516 1.402 1.00 0.00 H new ATOM 0 HG CYS A 46 87.064 3.476 2.094 1.00 0.00 H new ATOM 719 N SER A 47 86.199 -1.278 4.344 1.00 0.00 N ATOM 720 CA SER A 47 87.091 -1.866 5.379 1.00 0.00 C ATOM 721 C SER A 47 88.480 -2.086 4.778 1.00 0.00 C ATOM 722 O SER A 47 88.617 -2.510 3.647 1.00 0.00 O ATOM 723 CB SER A 47 86.517 -3.201 5.840 1.00 0.00 C ATOM 724 OG SER A 47 85.223 -2.992 6.395 1.00 0.00 O ATOM 0 H SER A 47 85.875 -1.931 3.630 1.00 0.00 H new ATOM 0 HA SER A 47 87.165 -1.190 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.457 -3.893 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 47 87.174 -3.655 6.582 1.00 0.00 H new ATOM 0 HG SER A 47 85.272 -3.056 7.372 1.00 0.00 H new ATOM 730 N VAL A 48 89.513 -1.783 5.516 1.00 0.00 N ATOM 731 CA VAL A 48 90.886 -1.955 4.975 1.00 0.00 C ATOM 732 C VAL A 48 91.760 -2.695 5.994 1.00 0.00 C ATOM 733 O VAL A 48 91.556 -2.603 7.186 1.00 0.00 O ATOM 734 CB VAL A 48 91.504 -0.576 4.752 1.00 0.00 C ATOM 735 CG1 VAL A 48 92.784 -0.721 3.939 1.00 0.00 C ATOM 736 CG2 VAL A 48 90.521 0.342 4.017 1.00 0.00 C ATOM 0 H VAL A 48 89.463 -1.424 6.469 1.00 0.00 H new ATOM 0 HA VAL A 48 90.833 -2.520 4.044 1.00 0.00 H new ATOM 0 HB VAL A 48 91.734 -0.131 5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.227 0.262 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 48 93.489 -1.353 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.554 -1.177 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 48 90.979 1.320 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 48 90.270 -0.093 3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 48 89.614 0.453 4.611 1.00 0.00 H new ATOM 746 N VAL A 49 92.761 -3.392 5.533 1.00 0.00 N ATOM 747 CA VAL A 49 93.681 -4.099 6.474 1.00 0.00 C ATOM 748 C VAL A 49 94.941 -3.255 6.614 1.00 0.00 C ATOM 749 O VAL A 49 95.596 -2.956 5.636 1.00 0.00 O ATOM 750 CB VAL A 49 94.072 -5.458 5.911 1.00 0.00 C ATOM 751 CG1 VAL A 49 95.000 -6.171 6.897 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.822 -6.302 5.680 1.00 0.00 C ATOM 0 H VAL A 49 92.984 -3.504 4.544 1.00 0.00 H new ATOM 0 HA VAL A 49 93.186 -4.241 7.434 1.00 0.00 H new ATOM 0 HB VAL A 49 94.589 -5.319 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.280 -7.144 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.896 -5.571 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.485 -6.307 7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 49 93.108 -7.273 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.297 -6.442 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.166 -5.795 4.973 1.00 0.00 H new ATOM 762 N VAL A 50 95.291 -2.845 7.798 1.00 0.00 N ATOM 763 CA VAL A 50 96.512 -2.001 7.927 1.00 0.00 C ATOM 764 C VAL A 50 97.058 -2.001 9.362 1.00 0.00 C ATOM 765 O VAL A 50 96.438 -2.502 10.278 1.00 0.00 O ATOM 766 CB VAL A 50 96.148 -0.573 7.536 1.00 0.00 C ATOM 767 CG1 VAL A 50 95.142 0.003 8.536 1.00 0.00 C ATOM 768 CG2 VAL A 50 97.405 0.296 7.531 1.00 0.00 C ATOM 0 H VAL A 50 94.798 -3.051 8.667 1.00 0.00 H new ATOM 0 HA VAL A 50 97.285 -2.408 7.276 1.00 0.00 H new ATOM 0 HB VAL A 50 95.704 -0.582 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 50 94.887 1.023 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 50 94.240 -0.609 8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 50 95.581 0.005 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 50 97.141 1.316 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 50 97.851 0.296 8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.121 -0.104 6.813 1.00 0.00 H new ATOM 778 N ASP A 51 98.214 -1.415 9.552 1.00 0.00 N ATOM 779 CA ASP A 51 98.823 -1.337 10.912 1.00 0.00 C ATOM 780 C ASP A 51 98.786 -2.709 11.566 1.00 0.00 C ATOM 781 O ASP A 51 98.883 -2.842 12.772 1.00 0.00 O ATOM 782 CB ASP A 51 98.048 -0.342 11.772 1.00 0.00 C ATOM 783 CG ASP A 51 98.767 -0.148 13.109 1.00 0.00 C ATOM 784 OD1 ASP A 51 99.792 -0.780 13.304 1.00 0.00 O ATOM 785 OD2 ASP A 51 98.279 0.627 13.914 1.00 0.00 O ATOM 0 H ASP A 51 98.767 -0.983 8.812 1.00 0.00 H new ATOM 0 HA ASP A 51 99.857 -1.004 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 51 97.961 0.612 11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 51 97.035 -0.705 11.942 1.00 0.00 H new ATOM 790 N GLY A 52 98.657 -3.731 10.782 1.00 0.00 N ATOM 791 CA GLY A 52 98.626 -5.096 11.358 1.00 0.00 C ATOM 792 C GLY A 52 97.236 -5.395 11.930 1.00 0.00 C ATOM 793 O GLY A 52 97.046 -6.375 12.620 1.00 0.00 O ATOM 0 H GLY A 52 98.571 -3.683 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 52 98.877 -5.829 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.377 -5.185 12.142 1.00 0.00 H new ATOM 797 N GLU A 53 96.259 -4.568 11.660 1.00 0.00 N ATOM 798 CA GLU A 53 94.895 -4.837 12.210 1.00 0.00 C ATOM 799 C GLU A 53 93.824 -4.515 11.166 1.00 0.00 C ATOM 800 O GLU A 53 94.045 -3.752 10.249 1.00 0.00 O ATOM 801 CB GLU A 53 94.660 -3.971 13.447 1.00 0.00 C ATOM 802 CG GLU A 53 94.708 -2.499 13.040 1.00 0.00 C ATOM 803 CD GLU A 53 94.806 -1.619 14.286 1.00 0.00 C ATOM 804 OE1 GLU A 53 94.347 -2.047 15.331 1.00 0.00 O ATOM 805 OE2 GLU A 53 95.338 -0.527 14.171 1.00 0.00 O ATOM 0 H GLU A 53 96.344 -3.727 11.089 1.00 0.00 H new ATOM 0 HA GLU A 53 94.831 -5.892 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 93.694 -4.207 13.894 1.00 0.00 H new ATOM 0 HB3 GLU A 53 95.419 -4.178 14.201 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.564 -2.320 12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 53 93.815 -2.241 12.471 1.00 0.00 H new ATOM 812 N VAL A 54 92.656 -5.093 11.305 1.00 0.00 N ATOM 813 CA VAL A 54 91.565 -4.819 10.326 1.00 0.00 C ATOM 814 C VAL A 54 90.908 -3.470 10.634 1.00 0.00 C ATOM 815 O VAL A 54 90.728 -3.099 11.778 1.00 0.00 O ATOM 816 CB VAL A 54 90.499 -5.915 10.397 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.316 -5.516 9.514 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.079 -7.239 9.894 1.00 0.00 C ATOM 0 H VAL A 54 92.414 -5.742 12.054 1.00 0.00 H new ATOM 0 HA VAL A 54 92.000 -4.798 9.327 1.00 0.00 H new ATOM 0 HB VAL A 54 90.172 -6.036 11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 54 88.551 -6.291 9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 54 88.899 -4.574 9.869 1.00 0.00 H new ATOM 0 HG13 VAL A 54 89.654 -5.398 8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 54 90.315 -8.015 9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.407 -7.123 8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 54 91.929 -7.523 10.515 1.00 0.00 H new ATOM 828 N LYS A 55 90.550 -2.736 9.614 1.00 0.00 N ATOM 829 CA LYS A 55 89.910 -1.409 9.827 1.00 0.00 C ATOM 830 C LYS A 55 88.511 -1.383 9.200 1.00 0.00 C ATOM 831 O LYS A 55 88.231 -2.082 8.246 1.00 0.00 O ATOM 832 CB LYS A 55 90.761 -0.338 9.156 1.00 0.00 C ATOM 833 CG LYS A 55 91.602 0.381 10.201 1.00 0.00 C ATOM 834 CD LYS A 55 92.581 -0.602 10.840 1.00 0.00 C ATOM 835 CE LYS A 55 93.513 0.162 11.783 1.00 0.00 C ATOM 836 NZ LYS A 55 94.901 -0.346 11.630 1.00 0.00 N ATOM 0 H LYS A 55 90.675 -3.002 8.637 1.00 0.00 H new ATOM 0 HA LYS A 55 89.828 -1.224 10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.407 -0.792 8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.121 0.376 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.148 1.204 9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 55 90.957 0.815 10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 55 92.037 -1.371 11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.160 -1.111 10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.478 1.228 11.560 1.00 0.00 H new ATOM 0 HE3 LYS A 55 93.182 0.041 12.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.349 -0.419 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 94.880 -1.285 11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 95.447 0.309 11.035 1.00 0.00 H new ATOM 850 N HIS A 56 87.640 -0.558 9.720 1.00 0.00 N ATOM 851 CA HIS A 56 86.264 -0.454 9.152 1.00 0.00 C ATOM 852 C HIS A 56 85.965 1.011 8.842 1.00 0.00 C ATOM 853 O HIS A 56 85.227 1.667 9.549 1.00 0.00 O ATOM 854 CB HIS A 56 85.229 -0.967 10.156 1.00 0.00 C ATOM 855 CG HIS A 56 85.361 -2.456 10.321 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.856 -3.270 9.316 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.040 -3.294 11.357 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.814 -4.536 9.763 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.327 -4.607 11.004 1.00 0.00 N ATOM 0 H HIS A 56 87.824 0.051 10.517 1.00 0.00 H new ATOM 0 HA HIS A 56 86.210 -1.057 8.246 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.368 -0.473 11.118 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.225 -0.719 9.813 1.00 0.00 H new ATOM 0 HD2 HIS A 56 84.627 -2.981 12.304 1.00 0.00 H new ATOM 0 HE1 HIS A 56 86.135 -5.392 9.188 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.194 -5.445 11.571 1.00 0.00 H new ATOM 867 N CYS A 57 86.535 1.529 7.792 1.00 0.00 N ATOM 868 CA CYS A 57 86.287 2.951 7.443 1.00 0.00 C ATOM 869 C CYS A 57 84.826 3.128 7.055 1.00 0.00 C ATOM 870 O CYS A 57 84.239 2.305 6.376 1.00 0.00 O ATOM 871 CB CYS A 57 87.178 3.360 6.278 1.00 0.00 C ATOM 872 SG CYS A 57 86.967 5.126 5.958 1.00 0.00 S ATOM 0 H CYS A 57 87.161 1.029 7.161 1.00 0.00 H new ATOM 0 HA CYS A 57 86.515 3.579 8.304 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.221 3.142 6.509 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.921 2.784 5.389 1.00 0.00 H new ATOM 0 HG CYS A 57 87.727 5.481 4.965 1.00 0.00 H new ATOM 878 N VAL A 58 84.232 4.191 7.493 1.00 0.00 N ATOM 879 CA VAL A 58 82.809 4.428 7.175 1.00 0.00 C ATOM 880 C VAL A 58 82.673 5.487 6.084 1.00 0.00 C ATOM 881 O VAL A 58 83.356 6.493 6.085 1.00 0.00 O ATOM 882 CB VAL A 58 82.109 4.919 8.437 1.00 0.00 C ATOM 883 CG1 VAL A 58 80.959 5.846 8.051 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.564 3.723 9.219 1.00 0.00 C ATOM 0 H VAL A 58 84.675 4.912 8.063 1.00 0.00 H new ATOM 0 HA VAL A 58 82.359 3.501 6.819 1.00 0.00 H new ATOM 0 HB VAL A 58 82.820 5.462 9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 58 80.457 6.198 8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.350 6.699 7.496 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.248 5.304 7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 58 81.064 4.075 10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.853 3.177 8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 82.387 3.063 9.495 1.00 0.00 H new ATOM 894 N ILE A 59 81.766 5.286 5.173 1.00 0.00 N ATOM 895 CA ILE A 59 81.548 6.297 4.112 1.00 0.00 C ATOM 896 C ILE A 59 80.109 6.814 4.230 1.00 0.00 C ATOM 897 O ILE A 59 79.172 6.038 4.314 1.00 0.00 O ATOM 898 CB ILE A 59 81.758 5.673 2.732 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.216 5.225 2.574 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.424 6.712 1.659 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.373 4.484 1.244 1.00 0.00 C ATOM 0 H ILE A 59 81.166 4.463 5.119 1.00 0.00 H new ATOM 0 HA ILE A 59 82.258 7.115 4.231 1.00 0.00 H new ATOM 0 HB ILE A 59 81.108 4.805 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.880 6.089 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.501 4.576 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.571 6.275 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.385 7.025 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.077 7.577 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.408 4.163 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 59 82.719 3.612 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.104 5.149 0.423 1.00 0.00 H new ATOM 913 N ASN A 60 79.916 8.111 4.250 1.00 0.00 N ATOM 914 CA ASN A 60 78.527 8.646 4.377 1.00 0.00 C ATOM 915 C ASN A 60 78.245 9.694 3.296 1.00 0.00 C ATOM 916 O ASN A 60 78.936 10.691 3.182 1.00 0.00 O ATOM 917 CB ASN A 60 78.367 9.297 5.747 1.00 0.00 C ATOM 918 CG ASN A 60 78.491 8.229 6.830 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.165 7.081 6.605 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.953 8.560 8.004 1.00 0.00 N ATOM 0 H ASN A 60 80.652 8.814 4.185 1.00 0.00 H new ATOM 0 HA ASN A 60 77.825 7.821 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.127 10.065 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.398 9.791 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.041 7.854 8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.226 9.525 8.191 1.00 0.00 H new ATOM 1167 N SER A 77 81.843 11.073 -7.971 1.00 0.00 N ATOM 1168 CA SER A 77 81.257 9.699 -8.020 1.00 0.00 C ATOM 1169 C SER A 77 82.069 8.742 -7.142 1.00 0.00 C ATOM 1170 O SER A 77 83.220 8.982 -6.843 1.00 0.00 O ATOM 1171 CB SER A 77 81.294 9.201 -9.463 1.00 0.00 C ATOM 1172 OG SER A 77 82.646 8.971 -9.833 1.00 0.00 O ATOM 0 HA SER A 77 80.231 9.733 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 77 80.715 8.283 -9.560 1.00 0.00 H new ATOM 0 HB3 SER A 77 80.841 9.936 -10.128 1.00 0.00 H new ATOM 0 HG SER A 77 83.209 9.690 -9.477 1.00 0.00 H new ATOM 1178 N LEU A 78 81.473 7.651 -6.737 1.00 0.00 N ATOM 1179 CA LEU A 78 82.198 6.663 -5.884 1.00 0.00 C ATOM 1180 C LEU A 78 83.434 6.139 -6.621 1.00 0.00 C ATOM 1181 O LEU A 78 84.453 5.871 -6.019 1.00 0.00 O ATOM 1182 CB LEU A 78 81.267 5.488 -5.578 1.00 0.00 C ATOM 1183 CG LEU A 78 80.118 5.968 -4.693 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.084 4.851 -4.541 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.671 6.339 -3.317 1.00 0.00 C ATOM 0 H LEU A 78 80.510 7.401 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 78 82.509 7.149 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.876 5.069 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.819 4.693 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 78 79.643 6.837 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.266 5.196 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.695 4.579 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.554 3.980 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.857 6.683 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.141 5.465 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.409 7.134 -3.424 1.00 0.00 H new ATOM 1197 N LYS A 79 83.356 5.982 -7.916 1.00 0.00 N ATOM 1198 CA LYS A 79 84.535 5.464 -8.671 1.00 0.00 C ATOM 1199 C LYS A 79 85.732 6.380 -8.424 1.00 0.00 C ATOM 1200 O LYS A 79 86.846 5.925 -8.249 1.00 0.00 O ATOM 1201 CB LYS A 79 84.228 5.432 -10.172 1.00 0.00 C ATOM 1202 CG LYS A 79 85.364 4.710 -10.906 1.00 0.00 C ATOM 1203 CD LYS A 79 85.094 4.701 -12.415 1.00 0.00 C ATOM 1204 CE LYS A 79 84.027 3.657 -12.750 1.00 0.00 C ATOM 1205 NZ LYS A 79 83.948 3.497 -14.231 1.00 0.00 N ATOM 0 H LYS A 79 82.532 6.189 -8.481 1.00 0.00 H new ATOM 0 HA LYS A 79 84.760 4.453 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.282 4.921 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 79 84.120 6.447 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 79 86.313 5.206 -10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 79 85.453 3.688 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 79 84.763 5.688 -12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 79 86.014 4.479 -12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 79 84.273 2.704 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 79 83.060 3.967 -12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 83.224 2.788 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 83.695 4.407 -14.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 84.870 3.184 -14.596 1.00 0.00 H new ATOM 1219 N GLU A 80 85.520 7.664 -8.405 1.00 0.00 N ATOM 1220 CA GLU A 80 86.655 8.591 -8.161 1.00 0.00 C ATOM 1221 C GLU A 80 87.111 8.458 -6.704 1.00 0.00 C ATOM 1222 O GLU A 80 88.280 8.584 -6.396 1.00 0.00 O ATOM 1223 CB GLU A 80 86.214 10.033 -8.440 1.00 0.00 C ATOM 1224 CG GLU A 80 87.426 10.963 -8.361 1.00 0.00 C ATOM 1225 CD GLU A 80 86.983 12.405 -8.614 1.00 0.00 C ATOM 1226 OE1 GLU A 80 86.627 12.705 -9.742 1.00 0.00 O ATOM 1227 OE2 GLU A 80 87.009 13.186 -7.676 1.00 0.00 O ATOM 0 H GLU A 80 84.614 8.110 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 80 87.482 8.339 -8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.755 10.100 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.459 10.340 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 80 87.895 10.883 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.173 10.667 -9.097 1.00 0.00 H new ATOM 1234 N LEU A 81 86.195 8.219 -5.799 1.00 0.00 N ATOM 1235 CA LEU A 81 86.574 8.095 -4.358 1.00 0.00 C ATOM 1236 C LEU A 81 87.555 6.938 -4.151 1.00 0.00 C ATOM 1237 O LEU A 81 88.578 7.090 -3.513 1.00 0.00 O ATOM 1238 CB LEU A 81 85.311 7.855 -3.518 1.00 0.00 C ATOM 1239 CG LEU A 81 85.676 7.706 -2.033 1.00 0.00 C ATOM 1240 CD1 LEU A 81 86.263 6.316 -1.773 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.707 8.766 -1.643 1.00 0.00 C ATOM 0 H LEU A 81 85.201 8.104 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 81 87.059 9.019 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.617 8.686 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.801 6.957 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 81 84.773 7.836 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 81 86.518 6.220 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 81 85.529 5.555 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.160 6.181 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.962 8.655 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 81 87.605 8.641 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.290 9.759 -1.813 1.00 0.00 H new ATOM 1253 N VAL A 82 87.260 5.785 -4.672 1.00 0.00 N ATOM 1254 CA VAL A 82 88.185 4.636 -4.485 1.00 0.00 C ATOM 1255 C VAL A 82 89.511 4.924 -5.203 1.00 0.00 C ATOM 1256 O VAL A 82 90.573 4.575 -4.730 1.00 0.00 O ATOM 1257 CB VAL A 82 87.540 3.371 -5.059 1.00 0.00 C ATOM 1258 CG1 VAL A 82 87.751 3.321 -6.571 1.00 0.00 C ATOM 1259 CG2 VAL A 82 88.174 2.132 -4.423 1.00 0.00 C ATOM 0 H VAL A 82 86.421 5.587 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 82 88.382 4.489 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 82 86.472 3.389 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.290 2.419 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 82 87.295 4.198 -7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.819 3.311 -6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 82 87.712 1.235 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 82 89.243 2.120 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 82 88.020 2.157 -3.344 1.00 0.00 H new ATOM 1269 N LEU A 83 89.451 5.551 -6.349 1.00 0.00 N ATOM 1270 CA LEU A 83 90.699 5.857 -7.113 1.00 0.00 C ATOM 1271 C LEU A 83 91.541 6.907 -6.383 1.00 0.00 C ATOM 1272 O LEU A 83 92.741 6.774 -6.264 1.00 0.00 O ATOM 1273 CB LEU A 83 90.313 6.398 -8.494 1.00 0.00 C ATOM 1274 CG LEU A 83 91.572 6.774 -9.285 1.00 0.00 C ATOM 1275 CD1 LEU A 83 92.363 5.512 -9.630 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.159 7.490 -10.577 1.00 0.00 C ATOM 0 H LEU A 83 88.588 5.866 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 83 91.287 4.944 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.742 5.647 -9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.669 7.271 -8.384 1.00 0.00 H new ATOM 0 HG LEU A 83 92.197 7.433 -8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 83 93.256 5.785 -10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.654 5.002 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 83 91.744 4.848 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.050 7.760 -11.144 1.00 0.00 H new ATOM 0 HD22 LEU A 83 90.534 6.828 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU A 83 90.599 8.392 -10.330 1.00 0.00 H new ATOM 1288 N HIS A 84 90.931 7.956 -5.914 1.00 0.00 N ATOM 1289 CA HIS A 84 91.714 9.015 -5.221 1.00 0.00 C ATOM 1290 C HIS A 84 92.389 8.439 -3.968 1.00 0.00 C ATOM 1291 O HIS A 84 93.519 8.761 -3.665 1.00 0.00 O ATOM 1292 CB HIS A 84 90.779 10.162 -4.829 1.00 0.00 C ATOM 1293 CG HIS A 84 91.579 11.285 -4.224 1.00 0.00 C ATOM 1294 ND1 HIS A 84 92.353 12.151 -4.988 1.00 0.00 N ATOM 1295 CD2 HIS A 84 91.740 11.692 -2.924 1.00 0.00 C ATOM 1296 CE1 HIS A 84 92.936 13.023 -4.144 1.00 0.00 C ATOM 1297 NE2 HIS A 84 92.597 12.787 -2.875 1.00 0.00 N ATOM 0 H HIS A 84 89.928 8.127 -5.979 1.00 0.00 H new ATOM 0 HA HIS A 84 92.487 9.389 -5.893 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.238 10.519 -5.706 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.033 9.809 -4.117 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.272 11.231 -2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 84 93.598 13.817 -4.456 1.00 0.00 H new ATOM 0 HE2 HIS A 84 92.901 13.299 -2.047 1.00 0.00 H new ATOM 1305 N TYR A 85 91.711 7.594 -3.235 1.00 0.00 N ATOM 1306 CA TYR A 85 92.327 7.016 -2.001 1.00 0.00 C ATOM 1307 C TYR A 85 93.435 6.020 -2.358 1.00 0.00 C ATOM 1308 O TYR A 85 94.337 5.777 -1.580 1.00 0.00 O ATOM 1309 CB TYR A 85 91.253 6.327 -1.160 1.00 0.00 C ATOM 1310 CG TYR A 85 90.810 7.282 -0.084 1.00 0.00 C ATOM 1311 CD1 TYR A 85 90.675 8.643 -0.380 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.560 6.817 1.211 1.00 0.00 C ATOM 1313 CE1 TYR A 85 90.293 9.541 0.620 1.00 0.00 C ATOM 1314 CE2 TYR A 85 90.171 7.713 2.212 1.00 0.00 C ATOM 1315 CZ TYR A 85 90.040 9.078 1.916 1.00 0.00 C ATOM 1316 OH TYR A 85 89.669 9.967 2.905 1.00 0.00 O ATOM 0 H TYR A 85 90.762 7.280 -3.435 1.00 0.00 H new ATOM 0 HA TYR A 85 92.771 7.827 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.407 6.040 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.647 5.412 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.866 8.999 -1.381 1.00 0.00 H new ATOM 0 HD2 TYR A 85 90.667 5.767 1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 85 90.193 10.592 0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 85 89.972 7.355 3.211 1.00 0.00 H new ATOM 0 HH TYR A 85 89.530 9.482 3.745 1.00 0.00 H new ATOM 1326 N GLN A 86 93.384 5.448 -3.525 1.00 0.00 N ATOM 1327 CA GLN A 86 94.446 4.484 -3.934 1.00 0.00 C ATOM 1328 C GLN A 86 95.789 5.215 -3.964 1.00 0.00 C ATOM 1329 O GLN A 86 96.840 4.617 -3.857 1.00 0.00 O ATOM 1330 CB GLN A 86 94.101 3.946 -5.326 1.00 0.00 C ATOM 1331 CG GLN A 86 95.371 3.589 -6.105 1.00 0.00 C ATOM 1332 CD GLN A 86 96.212 2.574 -5.328 1.00 0.00 C ATOM 1333 OE1 GLN A 86 96.169 2.525 -4.115 1.00 0.00 O ATOM 1334 NE2 GLN A 86 96.980 1.754 -5.991 1.00 0.00 N ATOM 0 H GLN A 86 92.652 5.605 -4.217 1.00 0.00 H new ATOM 0 HA GLN A 86 94.510 3.653 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.467 3.064 -5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.529 4.693 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 86 95.104 3.178 -7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.957 4.490 -6.289 1.00 0.00 H new ATOM 0 HE21 GLN A 86 97.014 1.798 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 86 97.547 1.069 -5.491 1.00 0.00 H new ATOM 1343 N HIS A 87 95.756 6.513 -4.107 1.00 0.00 N ATOM 1344 CA HIS A 87 97.024 7.296 -4.136 1.00 0.00 C ATOM 1345 C HIS A 87 97.233 7.958 -2.768 1.00 0.00 C ATOM 1346 O HIS A 87 98.344 8.117 -2.307 1.00 0.00 O ATOM 1347 CB HIS A 87 96.930 8.369 -5.229 1.00 0.00 C ATOM 1348 CG HIS A 87 98.253 9.082 -5.382 1.00 0.00 C ATOM 1349 ND1 HIS A 87 98.621 10.155 -4.582 1.00 0.00 N ATOM 1350 CD2 HIS A 87 99.297 8.894 -6.251 1.00 0.00 C ATOM 1351 CE1 HIS A 87 99.841 10.561 -4.985 1.00 0.00 C ATOM 1352 NE2 HIS A 87 100.297 9.827 -5.998 1.00 0.00 N ATOM 0 H HIS A 87 94.904 7.065 -4.205 1.00 0.00 H new ATOM 0 HA HIS A 87 97.866 6.639 -4.352 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.646 7.909 -6.176 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.150 9.087 -4.977 1.00 0.00 H new ATOM 0 HD2 HIS A 87 99.337 8.134 -7.018 1.00 0.00 H new ATOM 0 HE1 HIS A 87 100.383 11.382 -4.540 1.00 0.00 H new ATOM 0 HE2 HIS A 87 101.188 9.927 -6.484 1.00 0.00 H new ATOM 1360 N THR A 88 96.164 8.345 -2.120 1.00 0.00 N ATOM 1361 CA THR A 88 96.277 9.003 -0.781 1.00 0.00 C ATOM 1362 C THR A 88 96.424 7.943 0.308 1.00 0.00 C ATOM 1363 O THR A 88 95.826 6.888 0.249 1.00 0.00 O ATOM 1364 CB THR A 88 95.013 9.826 -0.517 1.00 0.00 C ATOM 1365 OG1 THR A 88 94.804 10.733 -1.592 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.173 10.608 0.785 1.00 0.00 C ATOM 0 H THR A 88 95.210 8.233 -2.463 1.00 0.00 H new ATOM 0 HA THR A 88 97.153 9.652 -0.771 1.00 0.00 H new ATOM 0 HB THR A 88 94.157 9.157 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.396 10.258 -2.346 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.272 11.193 0.971 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.331 9.913 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.030 11.277 0.705 1.00 0.00 H new ATOM 1374 N SER A 89 97.224 8.220 1.299 1.00 0.00 N ATOM 1375 CA SER A 89 97.426 7.235 2.398 1.00 0.00 C ATOM 1376 C SER A 89 96.510 7.574 3.580 1.00 0.00 C ATOM 1377 O SER A 89 96.450 8.698 4.034 1.00 0.00 O ATOM 1378 CB SER A 89 98.882 7.294 2.843 1.00 0.00 C ATOM 1379 OG SER A 89 99.698 6.653 1.869 1.00 0.00 O ATOM 0 H SER A 89 97.749 9.089 1.396 1.00 0.00 H new ATOM 0 HA SER A 89 97.184 6.233 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.194 8.331 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 89 98.999 6.805 3.810 1.00 0.00 H new ATOM 0 HG SER A 89 100.636 6.691 2.152 1.00 0.00 H new ATOM 1385 N LEU A 90 95.788 6.606 4.068 1.00 0.00 N ATOM 1386 CA LEU A 90 94.852 6.856 5.208 1.00 0.00 C ATOM 1387 C LEU A 90 95.613 7.238 6.505 1.00 0.00 C ATOM 1388 O LEU A 90 95.005 7.697 7.448 1.00 0.00 O ATOM 1389 CB LEU A 90 93.996 5.606 5.421 1.00 0.00 C ATOM 1390 CG LEU A 90 93.125 5.390 4.178 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.217 3.934 3.720 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.672 5.725 4.515 1.00 0.00 C ATOM 0 H LEU A 90 95.803 5.645 3.727 1.00 0.00 H new ATOM 0 HA LEU A 90 94.212 7.704 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.632 4.737 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.370 5.723 6.306 1.00 0.00 H new ATOM 0 HG LEU A 90 93.478 6.039 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.595 3.790 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.252 3.693 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.870 3.279 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.050 5.573 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.326 5.076 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.603 6.765 4.833 1.00 0.00 H new ATOM 1404 N VAL A 91 96.925 7.060 6.550 1.00 0.00 N ATOM 1405 CA VAL A 91 97.742 7.421 7.779 1.00 0.00 C ATOM 1406 C VAL A 91 96.903 8.197 8.803 1.00 0.00 C ATOM 1407 O VAL A 91 96.831 7.833 9.961 1.00 0.00 O ATOM 1408 CB VAL A 91 98.921 8.298 7.353 1.00 0.00 C ATOM 1409 CG1 VAL A 91 98.393 9.566 6.684 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.744 8.687 8.583 1.00 0.00 C ATOM 0 H VAL A 91 97.473 6.676 5.780 1.00 0.00 H new ATOM 0 HA VAL A 91 98.087 6.496 8.241 1.00 0.00 H new ATOM 0 HB VAL A 91 99.548 7.744 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 91 99.231 10.193 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 91 97.804 9.297 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 91 97.767 10.115 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.583 9.312 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 91 99.116 9.240 9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.120 7.787 9.069 1.00 0.00 H new ATOM 1420 N GLN A 92 96.273 9.260 8.386 1.00 0.00 N ATOM 1421 CA GLN A 92 95.445 10.063 9.331 1.00 0.00 C ATOM 1422 C GLN A 92 94.750 9.129 10.325 1.00 0.00 C ATOM 1423 O GLN A 92 94.392 8.021 9.990 1.00 0.00 O ATOM 1424 CB GLN A 92 94.386 10.835 8.539 1.00 0.00 C ATOM 1425 CG GLN A 92 93.690 11.849 9.452 1.00 0.00 C ATOM 1426 CD GLN A 92 92.622 12.609 8.658 1.00 0.00 C ATOM 1427 OE1 GLN A 92 92.679 12.669 7.448 1.00 0.00 O ATOM 1428 NE2 GLN A 92 91.642 13.196 9.295 1.00 0.00 N ATOM 0 H GLN A 92 96.296 9.609 7.428 1.00 0.00 H new ATOM 0 HA GLN A 92 96.084 10.760 9.874 1.00 0.00 H new ATOM 0 HB2 GLN A 92 94.851 11.349 7.698 1.00 0.00 H new ATOM 0 HB3 GLN A 92 93.653 10.143 8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 92 93.232 11.337 10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.421 12.548 9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 92 91.593 13.146 10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 92 90.927 13.703 8.774 1.00 0.00 H new ATOM 1437 N HIS A 93 94.569 9.589 11.542 1.00 0.00 N ATOM 1438 CA HIS A 93 93.902 8.770 12.607 1.00 0.00 C ATOM 1439 C HIS A 93 94.953 8.231 13.580 1.00 0.00 C ATOM 1440 O HIS A 93 95.661 8.981 14.219 1.00 0.00 O ATOM 1441 CB HIS A 93 93.127 7.596 12.000 1.00 0.00 C ATOM 1442 CG HIS A 93 92.214 7.020 13.048 1.00 0.00 C ATOM 1443 ND1 HIS A 93 91.188 6.146 12.732 1.00 0.00 N ATOM 1444 CD2 HIS A 93 92.154 7.195 14.407 1.00 0.00 C ATOM 1445 CE1 HIS A 93 90.557 5.831 13.877 1.00 0.00 C ATOM 1446 NE2 HIS A 93 91.107 6.443 14.931 1.00 0.00 N ATOM 0 H HIS A 93 94.862 10.517 11.848 1.00 0.00 H new ATOM 0 HA HIS A 93 93.199 9.413 13.136 1.00 0.00 H new ATOM 0 HB2 HIS A 93 92.548 7.931 11.139 1.00 0.00 H new ATOM 0 HB3 HIS A 93 93.818 6.833 11.642 1.00 0.00 H new ATOM 0 HD2 HIS A 93 92.819 7.822 14.983 1.00 0.00 H new ATOM 0 HE1 HIS A 93 89.709 5.165 13.938 1.00 0.00 H new ATOM 0 HE2 HIS A 93 90.821 6.374 15.908 1.00 0.00 H new ATOM 1454 N ASN A 94 95.053 6.933 13.704 1.00 0.00 N ATOM 1455 CA ASN A 94 96.049 6.346 14.646 1.00 0.00 C ATOM 1456 C ASN A 94 97.460 6.529 14.074 1.00 0.00 C ATOM 1457 O ASN A 94 98.409 5.927 14.533 1.00 0.00 O ATOM 1458 CB ASN A 94 95.759 4.855 14.832 1.00 0.00 C ATOM 1459 CG ASN A 94 94.348 4.667 15.401 1.00 0.00 C ATOM 1460 OD1 ASN A 94 93.552 3.936 14.846 1.00 0.00 O ATOM 1461 ND2 ASN A 94 94.001 5.305 16.487 1.00 0.00 N ATOM 0 H ASN A 94 94.488 6.255 13.193 1.00 0.00 H new ATOM 0 HA ASN A 94 95.981 6.850 15.610 1.00 0.00 H new ATOM 0 HB2 ASN A 94 95.848 4.336 13.878 1.00 0.00 H new ATOM 0 HB3 ASN A 94 96.494 4.413 15.505 1.00 0.00 H new ATOM 0 HD21 ASN A 94 93.062 5.189 16.869 1.00 0.00 H new ATOM 0 HD22 ASN A 94 94.669 5.919 16.953 1.00 0.00 H new ATOM 1468 N ASP A 95 97.593 7.356 13.070 1.00 0.00 N ATOM 1469 CA ASP A 95 98.927 7.599 12.446 1.00 0.00 C ATOM 1470 C ASP A 95 99.461 6.297 11.843 1.00 0.00 C ATOM 1471 O ASP A 95 100.559 6.249 11.328 1.00 0.00 O ATOM 1472 CB ASP A 95 99.915 8.125 13.497 1.00 0.00 C ATOM 1473 CG ASP A 95 99.523 9.546 13.906 1.00 0.00 C ATOM 1474 OD1 ASP A 95 98.827 10.193 13.139 1.00 0.00 O ATOM 1475 OD2 ASP A 95 99.926 9.963 14.980 1.00 0.00 O ATOM 0 H ASP A 95 96.824 7.880 12.651 1.00 0.00 H new ATOM 0 HA ASP A 95 98.817 8.344 11.658 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.915 7.472 14.370 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.928 8.118 13.094 1.00 0.00 H new ATOM 1480 N SER A 96 98.693 5.243 11.885 1.00 0.00 N ATOM 1481 CA SER A 96 99.172 3.962 11.292 1.00 0.00 C ATOM 1482 C SER A 96 98.268 3.587 10.125 1.00 0.00 C ATOM 1483 O SER A 96 98.372 2.517 9.558 1.00 0.00 O ATOM 1484 CB SER A 96 99.149 2.849 12.344 1.00 0.00 C ATOM 1485 OG SER A 96 99.818 3.296 13.514 1.00 0.00 O ATOM 0 H SER A 96 97.762 5.212 12.301 1.00 0.00 H new ATOM 0 HA SER A 96 100.196 4.087 10.941 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.120 2.578 12.581 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.633 1.954 11.954 1.00 0.00 H new ATOM 0 HG SER A 96 99.804 2.587 14.190 1.00 0.00 H new ATOM 1491 N LEU A 97 97.389 4.469 9.754 1.00 0.00 N ATOM 1492 CA LEU A 97 96.485 4.186 8.614 1.00 0.00 C ATOM 1493 C LEU A 97 97.232 4.542 7.328 1.00 0.00 C ATOM 1494 O LEU A 97 96.644 4.879 6.324 1.00 0.00 O ATOM 1495 CB LEU A 97 95.226 5.051 8.745 1.00 0.00 C ATOM 1496 CG LEU A 97 94.421 4.620 9.974 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.954 3.182 9.803 1.00 0.00 C ATOM 1498 CD2 LEU A 97 95.293 4.714 11.228 1.00 0.00 C ATOM 0 H LEU A 97 97.258 5.379 10.195 1.00 0.00 H new ATOM 0 HA LEU A 97 96.191 3.137 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.504 6.101 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 97 94.614 4.956 7.848 1.00 0.00 H new ATOM 0 HG LEU A 97 93.559 5.278 10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 97 93.381 2.879 10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.326 3.107 8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 97 94.820 2.529 9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.713 4.406 12.098 1.00 0.00 H new ATOM 0 HD22 LEU A 97 96.159 4.061 11.119 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.629 5.742 11.361 1.00 0.00 H new ATOM 1510 N ASN A 98 98.538 4.482 7.367 1.00 0.00 N ATOM 1511 CA ASN A 98 99.346 4.840 6.169 1.00 0.00 C ATOM 1512 C ASN A 98 99.260 3.703 5.161 1.00 0.00 C ATOM 1513 O ASN A 98 100.178 2.925 4.979 1.00 0.00 O ATOM 1514 CB ASN A 98 100.801 5.046 6.600 1.00 0.00 C ATOM 1515 CG ASN A 98 101.612 5.622 5.440 1.00 0.00 C ATOM 1516 OD1 ASN A 98 102.641 5.088 5.079 1.00 0.00 O ATOM 1517 ND2 ASN A 98 101.192 6.700 4.838 1.00 0.00 N ATOM 0 H ASN A 98 99.080 4.198 8.183 1.00 0.00 H new ATOM 0 HA ASN A 98 98.969 5.756 5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 98 100.844 5.721 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.232 4.098 6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 98 101.728 7.094 4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 98 100.328 7.149 5.141 1.00 0.00 H new ATOM 1524 N VAL A 99 98.137 3.621 4.509 1.00 0.00 N ATOM 1525 CA VAL A 99 97.902 2.565 3.496 1.00 0.00 C ATOM 1526 C VAL A 99 96.999 3.141 2.417 1.00 0.00 C ATOM 1527 O VAL A 99 96.289 4.101 2.640 1.00 0.00 O ATOM 1528 CB VAL A 99 97.196 1.383 4.156 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.909 1.869 4.827 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.838 0.340 3.097 1.00 0.00 C ATOM 0 H VAL A 99 97.353 4.260 4.642 1.00 0.00 H new ATOM 0 HA VAL A 99 98.847 2.231 3.068 1.00 0.00 H new ATOM 0 HB VAL A 99 97.859 0.940 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.404 1.026 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.152 2.615 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.253 2.312 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.334 -0.502 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 99 96.177 0.787 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.748 -0.010 2.609 1.00 0.00 H new ATOM 1540 N THR A 100 97.011 2.577 1.254 1.00 0.00 N ATOM 1541 CA THR A 100 96.134 3.117 0.182 1.00 0.00 C ATOM 1542 C THR A 100 95.258 1.989 -0.352 1.00 0.00 C ATOM 1543 O THR A 100 95.568 0.823 -0.199 1.00 0.00 O ATOM 1544 CB THR A 100 96.997 3.679 -0.948 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.566 2.606 -1.685 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.117 4.537 -0.354 1.00 0.00 C ATOM 0 H THR A 100 97.582 1.773 0.994 1.00 0.00 H new ATOM 0 HA THR A 100 95.506 3.914 0.581 1.00 0.00 H new ATOM 0 HB THR A 100 96.381 4.289 -1.608 1.00 0.00 H new ATOM 0 HG1 THR A 100 97.124 2.537 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.733 4.938 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.683 5.359 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.734 3.925 0.305 1.00 0.00 H new ATOM 1554 N LEU A 101 94.171 2.318 -0.981 1.00 0.00 N ATOM 1555 CA LEU A 101 93.294 1.250 -1.523 1.00 0.00 C ATOM 1556 C LEU A 101 93.901 0.772 -2.839 1.00 0.00 C ATOM 1557 O LEU A 101 93.393 1.048 -3.909 1.00 0.00 O ATOM 1558 CB LEU A 101 91.890 1.814 -1.766 1.00 0.00 C ATOM 1559 CG LEU A 101 91.377 2.509 -0.499 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.971 3.047 -0.759 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.334 1.518 0.664 1.00 0.00 C ATOM 0 H LEU A 101 93.852 3.273 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 101 93.216 0.420 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.912 2.521 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.211 1.010 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 101 92.048 3.328 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.599 3.543 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 101 90.001 3.761 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.308 2.222 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 101 90.968 2.022 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.667 0.693 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.336 1.131 0.850 1.00 0.00 H new ATOM 1573 N ALA A 102 95.012 0.089 -2.768 1.00 0.00 N ATOM 1574 CA ALA A 102 95.683 -0.369 -4.017 1.00 0.00 C ATOM 1575 C ALA A 102 95.315 -1.820 -4.360 1.00 0.00 C ATOM 1576 O ALA A 102 95.366 -2.216 -5.510 1.00 0.00 O ATOM 1577 CB ALA A 102 97.198 -0.274 -3.834 1.00 0.00 C ATOM 0 H ALA A 102 95.482 -0.171 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 102 95.348 0.271 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.696 -0.608 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.475 0.760 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.504 -0.906 -3.000 1.00 0.00 H new ATOM 1583 N TYR A 103 94.982 -2.630 -3.392 1.00 0.00 N ATOM 1584 CA TYR A 103 94.664 -4.050 -3.715 1.00 0.00 C ATOM 1585 C TYR A 103 93.188 -4.366 -3.436 1.00 0.00 C ATOM 1586 O TYR A 103 92.783 -4.491 -2.297 1.00 0.00 O ATOM 1587 CB TYR A 103 95.540 -4.963 -2.853 1.00 0.00 C ATOM 1588 CG TYR A 103 96.969 -4.896 -3.329 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.415 -5.784 -4.312 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.849 -3.949 -2.788 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.739 -5.728 -4.759 1.00 0.00 C ATOM 1592 CE2 TYR A 103 99.176 -3.893 -3.235 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.621 -4.782 -4.220 1.00 0.00 C ATOM 1594 OH TYR A 103 100.927 -4.727 -4.660 1.00 0.00 O ATOM 0 H TYR A 103 94.917 -2.376 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 103 94.858 -4.216 -4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.480 -4.659 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.176 -5.989 -2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.736 -6.514 -4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.505 -3.263 -2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.082 -6.414 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.855 -3.164 -2.819 1.00 0.00 H new ATOM 0 HH TYR A 103 101.403 -4.014 -4.185 1.00 0.00 H new ATOM 1604 N PRO A 104 92.395 -4.534 -4.471 1.00 0.00 N ATOM 1605 CA PRO A 104 90.954 -4.887 -4.320 1.00 0.00 C ATOM 1606 C PRO A 104 90.803 -6.210 -3.576 1.00 0.00 C ATOM 1607 O PRO A 104 91.603 -7.114 -3.731 1.00 0.00 O ATOM 1608 CB PRO A 104 90.435 -5.037 -5.752 1.00 0.00 C ATOM 1609 CG PRO A 104 91.455 -4.407 -6.642 1.00 0.00 C ATOM 1610 CD PRO A 104 92.782 -4.404 -5.884 1.00 0.00 C ATOM 0 HA PRO A 104 90.408 -4.134 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.295 -6.088 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.467 -4.550 -5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.547 -4.963 -7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.160 -3.391 -6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.421 -5.229 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.339 -3.484 -6.061 1.00 0.00 H new ATOM 1618 N VAL A 105 89.790 -6.343 -2.780 1.00 0.00 N ATOM 1619 CA VAL A 105 89.607 -7.618 -2.044 1.00 0.00 C ATOM 1620 C VAL A 105 89.198 -8.706 -3.034 1.00 0.00 C ATOM 1621 O VAL A 105 89.521 -9.868 -2.872 1.00 0.00 O ATOM 1622 CB VAL A 105 88.538 -7.436 -0.969 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.236 -6.934 -1.603 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.290 -8.773 -0.262 1.00 0.00 C ATOM 0 H VAL A 105 89.082 -5.629 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 105 90.538 -7.911 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 105 88.883 -6.701 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.479 -6.807 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.416 -5.978 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.886 -7.659 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.527 -8.643 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.952 -9.512 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.215 -9.117 0.201 1.00 0.00 H new ATOM 1634 N TYR A 106 88.493 -8.332 -4.062 1.00 0.00 N ATOM 1635 CA TYR A 106 88.058 -9.329 -5.073 1.00 0.00 C ATOM 1636 C TYR A 106 88.791 -9.080 -6.393 1.00 0.00 C ATOM 1637 O TYR A 106 88.265 -9.327 -7.459 1.00 0.00 O ATOM 1638 CB TYR A 106 86.548 -9.211 -5.280 1.00 0.00 C ATOM 1639 CG TYR A 106 85.832 -9.621 -4.012 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.808 -10.966 -3.621 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.189 -8.655 -3.227 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.142 -11.344 -2.446 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.526 -9.033 -2.053 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.501 -10.376 -1.663 1.00 0.00 C ATOM 1645 OH TYR A 106 83.843 -10.746 -0.506 1.00 0.00 O ATOM 0 H TYR A 106 88.198 -7.373 -4.246 1.00 0.00 H new ATOM 0 HA TYR A 106 88.296 -10.334 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.285 -8.187 -5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.233 -9.844 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.303 -11.712 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.205 -7.618 -3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.124 -12.381 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.033 -8.286 -1.448 1.00 0.00 H new ATOM 0 HH TYR A 106 84.278 -11.535 -0.120 1.00 0.00 H new ATOM 1655 N ALA A 107 89.999 -8.593 -6.333 1.00 0.00 N ATOM 1656 CA ALA A 107 90.758 -8.329 -7.587 1.00 0.00 C ATOM 1657 C ALA A 107 90.543 -9.491 -8.564 1.00 0.00 C ATOM 1658 O ALA A 107 90.708 -10.644 -8.219 1.00 0.00 O ATOM 1659 CB ALA A 107 92.246 -8.199 -7.251 1.00 0.00 C ATOM 0 H ALA A 107 90.493 -8.366 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 107 90.408 -7.405 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.810 -8.006 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 107 92.391 -7.374 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.599 -9.125 -6.796 1.00 0.00 H new