USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 880 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 100 THR OG1 : rot 171:sc= 0.654 USER MOD Set 1.2: A 102 THR OG1 : rot 79:sc= 0.595 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= -1.16 USER MOD Set 2.3: A 94 GLN : amide:sc= 0.395 K(o=-0.76,f=-8.8!) USER MOD Set 3.1: A 6 GLN : amide:sc= -0.54 K(o=-0.94,f=1.6) USER MOD Set 3.2: A 92 TYR OH : rot 180:sc= -0.396 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.144 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-7!) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.62 (180deg=-1.9!) USER MOD Single : A 41 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.8!) USER MOD Single : A 44 MET CE :methyl 164:sc= -0.44 (180deg=-1.04) USER MOD Single : A 51 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.17) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= -0.204 (180deg=-1.79!) USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.184 USER MOD Single : A 70 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.096) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.884 X(o=-0.88,f=-0.88) USER MOD Single : A 106 ASN : amide:sc= -6.03! C(o=-6!,f=-5.2!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -60:sc= 1.12 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 162.870 13.315 9.294 1.00 0.00 N ATOM 2 CA GLN A 6 163.514 12.396 8.319 1.00 0.00 C ATOM 3 C GLN A 6 165.019 12.312 8.553 1.00 0.00 C ATOM 4 O GLN A 6 165.692 13.332 8.696 1.00 0.00 O ATOM 5 CB GLN A 6 163.224 12.906 6.906 1.00 0.00 C ATOM 6 CG GLN A 6 162.014 12.251 6.259 1.00 0.00 C ATOM 7 CD GLN A 6 162.387 11.355 5.094 1.00 0.00 C ATOM 8 OE1 GLN A 6 162.985 11.805 4.116 1.00 0.00 O ATOM 9 NE2 GLN A 6 162.036 10.078 5.194 1.00 0.00 N ATOM 0 HA GLN A 6 163.107 11.393 8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 6 163.067 13.984 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 6 164.099 12.733 6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 6 161.480 11.665 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 6 161.329 13.025 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 6 161.541 9.748 6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 6 162.261 9.427 4.442 1.00 0.00 H new ATOM 18 N TYR A 7 165.540 11.090 8.590 1.00 0.00 N ATOM 19 CA TYR A 7 166.966 10.872 8.807 1.00 0.00 C ATOM 20 C TYR A 7 167.731 10.940 7.494 1.00 0.00 C ATOM 21 O TYR A 7 167.142 11.072 6.421 1.00 0.00 O ATOM 22 CB TYR A 7 167.200 9.519 9.481 1.00 0.00 C ATOM 23 CG TYR A 7 168.626 9.272 9.917 1.00 0.00 C ATOM 24 CD1 TYR A 7 169.238 10.093 10.856 1.00 0.00 C ATOM 25 CD2 TYR A 7 169.360 8.215 9.392 1.00 0.00 C ATOM 26 CE1 TYR A 7 170.540 9.868 11.259 1.00 0.00 C ATOM 27 CE2 TYR A 7 170.663 7.984 9.790 1.00 0.00 C ATOM 28 CZ TYR A 7 171.248 8.813 10.724 1.00 0.00 C ATOM 29 OH TYR A 7 172.545 8.587 11.123 1.00 0.00 O ATOM 0 H TYR A 7 164.996 10.235 8.473 1.00 0.00 H new ATOM 0 HA TYR A 7 167.334 11.662 9.461 1.00 0.00 H new ATOM 0 HB2 TYR A 7 166.549 9.444 10.352 1.00 0.00 H new ATOM 0 HB3 TYR A 7 166.902 8.728 8.792 1.00 0.00 H new ATOM 0 HD1 TYR A 7 168.687 10.921 11.278 1.00 0.00 H new ATOM 0 HD2 TYR A 7 168.905 7.563 8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 7 171.001 10.516 11.990 1.00 0.00 H new ATOM 0 HE2 TYR A 7 171.220 7.159 9.372 1.00 0.00 H new ATOM 0 HH TYR A 7 172.901 7.805 10.652 1.00 0.00 H new ATOM 39 N VAL A 8 169.047 10.855 7.593 1.00 0.00 N ATOM 40 CA VAL A 8 169.911 10.910 6.421 1.00 0.00 C ATOM 41 C VAL A 8 170.722 9.627 6.268 1.00 0.00 C ATOM 42 O VAL A 8 170.899 8.873 7.223 1.00 0.00 O ATOM 43 CB VAL A 8 170.879 12.104 6.499 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.615 12.285 5.181 1.00 0.00 C ATOM 45 CG2 VAL A 8 170.134 13.373 6.882 1.00 0.00 C ATOM 0 H VAL A 8 169.544 10.747 8.477 1.00 0.00 H new ATOM 0 HA VAL A 8 169.260 11.028 5.555 1.00 0.00 H new ATOM 0 HB VAL A 8 171.618 11.897 7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.294 13.134 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.185 11.384 4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 8 170.894 12.467 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.836 14.206 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.370 13.586 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.661 13.238 7.855 1.00 0.00 H new ATOM 55 N VAL A 9 171.213 9.389 5.056 1.00 0.00 N ATOM 56 CA VAL A 9 172.008 8.200 4.770 1.00 0.00 C ATOM 57 C VAL A 9 173.360 8.254 5.486 1.00 0.00 C ATOM 58 O VAL A 9 174.003 9.302 5.535 1.00 0.00 O ATOM 59 CB VAL A 9 172.246 8.048 3.254 1.00 0.00 C ATOM 60 CG1 VAL A 9 172.956 9.273 2.698 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.033 6.779 2.955 1.00 0.00 C ATOM 0 H VAL A 9 171.074 10.005 4.255 1.00 0.00 H new ATOM 0 HA VAL A 9 171.445 7.341 5.135 1.00 0.00 H new ATOM 0 HB VAL A 9 171.277 7.966 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.115 9.147 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.344 10.158 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 9 173.918 9.393 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.189 6.693 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 9 173.998 6.822 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.476 5.913 3.312 1.00 0.00 H new ATOM 71 N PRO A 10 173.811 7.119 6.055 1.00 0.00 N ATOM 72 CA PRO A 10 175.092 7.051 6.766 1.00 0.00 C ATOM 73 C PRO A 10 176.287 7.229 5.840 1.00 0.00 C ATOM 74 O PRO A 10 176.135 7.547 4.661 1.00 0.00 O ATOM 75 CB PRO A 10 175.102 5.647 7.372 1.00 0.00 C ATOM 76 CG PRO A 10 174.153 4.855 6.540 1.00 0.00 C ATOM 77 CD PRO A 10 173.112 5.822 6.051 1.00 0.00 C ATOM 0 HA PRO A 10 175.179 7.849 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 10 176.102 5.215 7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 10 174.789 5.667 8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 10 174.669 4.384 5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.697 4.056 7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 10 172.759 5.560 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.239 5.835 6.704 1.00 0.00 H new ATOM 85 N SER A 11 177.480 7.026 6.390 1.00 0.00 N ATOM 86 CA SER A 11 178.712 7.168 5.627 1.00 0.00 C ATOM 87 C SER A 11 179.397 5.820 5.419 1.00 0.00 C ATOM 88 O SER A 11 179.688 5.106 6.378 1.00 0.00 O ATOM 89 CB SER A 11 179.655 8.124 6.350 1.00 0.00 C ATOM 90 OG SER A 11 180.650 8.625 5.473 1.00 0.00 O ATOM 0 H SER A 11 177.618 6.762 7.365 1.00 0.00 H new ATOM 0 HA SER A 11 178.460 7.571 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.085 8.953 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.129 7.609 7.185 1.00 0.00 H new ATOM 0 HG SER A 11 181.239 9.236 5.962 1.00 0.00 H new ATOM 96 N ALA A 12 179.651 5.479 4.158 1.00 0.00 N ATOM 97 CA ALA A 12 180.302 4.217 3.825 1.00 0.00 C ATOM 98 C ALA A 12 181.820 4.333 3.916 1.00 0.00 C ATOM 99 O ALA A 12 182.461 4.941 3.058 1.00 0.00 O ATOM 100 CB ALA A 12 179.885 3.760 2.435 1.00 0.00 C ATOM 0 H ALA A 12 179.416 6.058 3.352 1.00 0.00 H new ATOM 0 HA ALA A 12 179.982 3.471 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.378 2.817 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.804 3.622 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 12 180.174 4.514 1.702 1.00 0.00 H new ATOM 106 N LYS A 13 182.390 3.733 4.959 1.00 0.00 N ATOM 107 CA LYS A 13 183.835 3.755 5.161 1.00 0.00 C ATOM 108 C LYS A 13 184.476 2.516 4.544 1.00 0.00 C ATOM 109 O LYS A 13 184.249 1.398 5.004 1.00 0.00 O ATOM 110 CB LYS A 13 184.163 3.827 6.655 1.00 0.00 C ATOM 111 CG LYS A 13 184.415 5.240 7.155 1.00 0.00 C ATOM 112 CD LYS A 13 184.756 5.254 8.636 1.00 0.00 C ATOM 113 CE LYS A 13 184.582 6.640 9.235 1.00 0.00 C ATOM 114 NZ LYS A 13 183.227 6.824 9.825 1.00 0.00 N ATOM 0 H LYS A 13 181.872 3.226 5.677 1.00 0.00 H new ATOM 0 HA LYS A 13 184.239 4.640 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.339 3.392 7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 13 185.044 3.217 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.232 5.687 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 13 183.531 5.853 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 13 184.118 4.546 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 13 185.785 4.922 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 13 185.338 6.801 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 13 184.747 7.392 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 183.149 7.782 10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 182.506 6.696 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 183.078 6.123 10.579 1.00 0.00 H new ATOM 128 N LEU A 14 185.262 2.719 3.491 1.00 0.00 N ATOM 129 CA LEU A 14 185.916 1.611 2.802 1.00 0.00 C ATOM 130 C LEU A 14 187.382 1.476 3.198 1.00 0.00 C ATOM 131 O LEU A 14 187.973 2.387 3.776 1.00 0.00 O ATOM 132 CB LEU A 14 185.813 1.799 1.288 1.00 0.00 C ATOM 133 CG LEU A 14 184.432 2.207 0.777 1.00 0.00 C ATOM 134 CD1 LEU A 14 184.313 3.722 0.715 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.166 1.592 -0.589 1.00 0.00 C ATOM 0 H LEU A 14 185.461 3.638 3.097 1.00 0.00 H new ATOM 0 HA LEU A 14 185.402 0.697 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.535 2.556 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.103 0.868 0.801 1.00 0.00 H new ATOM 0 HG LEU A 14 183.682 1.832 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 14 183.323 3.995 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.459 4.140 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 14 185.071 4.119 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.178 1.893 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.921 1.936 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.208 0.505 -0.513 1.00 0.00 H new ATOM 147 N GLU A 15 187.958 0.325 2.865 1.00 0.00 N ATOM 148 CA GLU A 15 189.357 0.038 3.160 1.00 0.00 C ATOM 149 C GLU A 15 189.894 -1.012 2.191 1.00 0.00 C ATOM 150 O GLU A 15 189.171 -1.933 1.807 1.00 0.00 O ATOM 151 CB GLU A 15 189.510 -0.454 4.601 1.00 0.00 C ATOM 152 CG GLU A 15 188.420 -1.421 5.035 1.00 0.00 C ATOM 153 CD GLU A 15 188.587 -1.883 6.469 1.00 0.00 C ATOM 154 OE1 GLU A 15 188.489 -1.036 7.381 1.00 0.00 O ATOM 155 OE2 GLU A 15 188.817 -3.093 6.680 1.00 0.00 O ATOM 0 H GLU A 15 187.470 -0.432 2.385 1.00 0.00 H new ATOM 0 HA GLU A 15 189.931 0.957 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 15 190.479 -0.941 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 15 189.509 0.406 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 15 187.448 -0.941 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 15 188.425 -2.288 4.375 1.00 0.00 H new ATOM 162 N ALA A 16 191.156 -0.876 1.788 1.00 0.00 N ATOM 163 CA ALA A 16 191.755 -1.828 0.855 1.00 0.00 C ATOM 164 C ALA A 16 192.351 -3.025 1.590 1.00 0.00 C ATOM 165 O ALA A 16 193.355 -2.901 2.288 1.00 0.00 O ATOM 166 CB ALA A 16 192.820 -1.145 0.009 1.00 0.00 C ATOM 0 H ALA A 16 191.777 -0.125 2.089 1.00 0.00 H new ATOM 0 HA ALA A 16 190.965 -2.195 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.256 -1.868 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.368 -0.331 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.600 -0.746 0.658 1.00 0.00 H new ATOM 172 N ILE A 17 191.719 -4.183 1.424 1.00 0.00 N ATOM 173 CA ILE A 17 192.179 -5.408 2.069 1.00 0.00 C ATOM 174 C ILE A 17 193.322 -6.050 1.289 1.00 0.00 C ATOM 175 O ILE A 17 193.357 -5.998 0.060 1.00 0.00 O ATOM 176 CB ILE A 17 191.036 -6.435 2.213 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.760 -5.751 2.711 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.446 -7.551 3.162 1.00 0.00 C ATOM 179 CD1 ILE A 17 189.895 -5.156 4.096 1.00 0.00 C ATOM 0 H ILE A 17 190.886 -4.299 0.847 1.00 0.00 H new ATOM 0 HA ILE A 17 192.532 -5.124 3.060 1.00 0.00 H new ATOM 0 HB ILE A 17 190.834 -6.868 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.483 -4.963 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 17 188.946 -6.476 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.630 -8.268 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.330 -8.055 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.672 -7.131 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 17 188.954 -4.688 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.142 -5.944 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 17 190.687 -4.407 4.095 1.00 0.00 H new ATOM 191 N TYR A 18 194.254 -6.659 2.016 1.00 0.00 N ATOM 192 CA TYR A 18 195.400 -7.317 1.397 1.00 0.00 C ATOM 193 C TYR A 18 195.246 -8.837 1.463 1.00 0.00 C ATOM 194 O TYR A 18 194.761 -9.371 2.461 1.00 0.00 O ATOM 195 CB TYR A 18 196.693 -6.893 2.097 1.00 0.00 C ATOM 196 CG TYR A 18 197.879 -6.773 1.166 1.00 0.00 C ATOM 197 CD1 TYR A 18 197.897 -5.822 0.153 1.00 0.00 C ATOM 198 CD2 TYR A 18 198.978 -7.612 1.298 1.00 0.00 C ATOM 199 CE1 TYR A 18 198.978 -5.710 -0.700 1.00 0.00 C ATOM 200 CE2 TYR A 18 200.063 -7.506 0.449 1.00 0.00 C ATOM 201 CZ TYR A 18 200.057 -6.554 -0.548 1.00 0.00 C ATOM 202 OH TYR A 18 201.136 -6.445 -1.396 1.00 0.00 O ATOM 0 H TYR A 18 194.238 -6.711 3.035 1.00 0.00 H new ATOM 0 HA TYR A 18 195.446 -7.016 0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.531 -5.934 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 18 196.927 -7.617 2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 18 197.053 -5.160 0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 18 198.985 -8.360 2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 18 198.978 -4.965 -1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.911 -8.165 0.566 1.00 0.00 H new ATOM 0 HH TYR A 18 201.812 -7.112 -1.153 1.00 0.00 H new ATOM 212 N PRO A 19 195.654 -9.562 0.403 1.00 0.00 N ATOM 213 CA PRO A 19 196.233 -8.988 -0.805 1.00 0.00 C ATOM 214 C PRO A 19 195.188 -8.725 -1.883 1.00 0.00 C ATOM 215 O PRO A 19 195.510 -8.236 -2.967 1.00 0.00 O ATOM 216 CB PRO A 19 197.195 -10.086 -1.248 1.00 0.00 C ATOM 217 CG PRO A 19 196.560 -11.366 -0.797 1.00 0.00 C ATOM 218 CD PRO A 19 195.576 -11.024 0.301 1.00 0.00 C ATOM 0 HA PRO A 19 196.699 -8.018 -0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.335 -10.075 -2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.179 -9.954 -0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 19 196.052 -11.856 -1.628 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.316 -12.061 -0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.568 -11.354 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.844 -11.505 1.242 1.00 0.00 H new ATOM 226 N ARG A 20 193.935 -9.049 -1.580 1.00 0.00 N ATOM 227 CA ARG A 20 192.847 -8.848 -2.517 1.00 0.00 C ATOM 228 C ARG A 20 191.502 -8.865 -1.800 1.00 0.00 C ATOM 229 O ARG A 20 190.918 -9.926 -1.577 1.00 0.00 O ATOM 230 CB ARG A 20 192.874 -9.919 -3.609 1.00 0.00 C ATOM 231 CG ARG A 20 192.937 -11.338 -3.066 1.00 0.00 C ATOM 232 CD ARG A 20 192.047 -12.280 -3.862 1.00 0.00 C ATOM 233 NE ARG A 20 192.252 -13.676 -3.484 1.00 0.00 N ATOM 234 CZ ARG A 20 191.728 -14.232 -2.393 1.00 0.00 C ATOM 235 NH1 ARG A 20 190.970 -13.516 -1.572 1.00 0.00 N ATOM 236 NH2 ARG A 20 191.962 -15.510 -2.124 1.00 0.00 N ATOM 0 H ARG A 20 193.652 -9.453 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 20 192.979 -7.870 -2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 20 191.984 -9.815 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.735 -9.747 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 20 193.966 -11.695 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 20 192.630 -11.342 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 20 191.002 -12.011 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 20 192.251 -12.159 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 20 192.830 -14.258 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 20 190.786 -12.534 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 20 190.572 -13.948 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 20 192.543 -16.065 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 20 191.561 -15.937 -1.289 1.00 0.00 H new ATOM 250 N GLY A 21 191.017 -7.682 -1.442 1.00 0.00 N ATOM 251 CA GLY A 21 189.745 -7.577 -0.755 1.00 0.00 C ATOM 252 C GLY A 21 189.325 -6.140 -0.520 1.00 0.00 C ATOM 253 O GLY A 21 190.114 -5.215 -0.714 1.00 0.00 O ATOM 0 H GLY A 21 191.484 -6.792 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.978 -8.085 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.810 -8.094 0.203 1.00 0.00 H new ATOM 257 N LEU A 22 188.078 -5.952 -0.100 1.00 0.00 N ATOM 258 CA LEU A 22 187.549 -4.619 0.164 1.00 0.00 C ATOM 259 C LEU A 22 186.464 -4.675 1.233 1.00 0.00 C ATOM 260 O LEU A 22 185.461 -5.371 1.077 1.00 0.00 O ATOM 261 CB LEU A 22 186.986 -4.006 -1.120 1.00 0.00 C ATOM 262 CG LEU A 22 186.889 -2.478 -1.122 1.00 0.00 C ATOM 263 CD1 LEU A 22 185.959 -2.002 -0.017 1.00 0.00 C ATOM 264 CD2 LEU A 22 188.269 -1.854 -0.969 1.00 0.00 C ATOM 0 H LEU A 22 187.414 -6.708 0.065 1.00 0.00 H new ATOM 0 HA LEU A 22 188.364 -3.993 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.612 -4.316 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.992 -4.418 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 22 186.475 -2.160 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.902 -0.914 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 22 184.964 -2.420 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.343 -2.331 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 22 188.180 -0.768 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 22 188.713 -2.178 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 22 188.904 -2.169 -1.797 1.00 0.00 H new ATOM 276 N ARG A 23 186.671 -3.940 2.321 1.00 0.00 N ATOM 277 CA ARG A 23 185.708 -3.912 3.416 1.00 0.00 C ATOM 278 C ARG A 23 185.096 -2.525 3.574 1.00 0.00 C ATOM 279 O ARG A 23 185.806 -1.518 3.584 1.00 0.00 O ATOM 280 CB ARG A 23 186.379 -4.339 4.723 1.00 0.00 C ATOM 281 CG ARG A 23 185.418 -4.448 5.896 1.00 0.00 C ATOM 282 CD ARG A 23 185.941 -5.404 6.955 1.00 0.00 C ATOM 283 NE ARG A 23 187.068 -4.839 7.696 1.00 0.00 N ATOM 284 CZ ARG A 23 186.938 -3.985 8.709 1.00 0.00 C ATOM 285 NH1 ARG A 23 185.735 -3.588 9.102 1.00 0.00 N ATOM 286 NH2 ARG A 23 188.017 -3.526 9.330 1.00 0.00 N ATOM 0 H ARG A 23 187.495 -3.357 2.468 1.00 0.00 H new ATOM 0 HA ARG A 23 184.908 -4.614 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 23 186.866 -5.302 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 23 187.161 -3.621 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 23 185.266 -3.463 6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 23 184.446 -4.792 5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 23 185.138 -5.650 7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 23 186.250 -6.336 6.481 1.00 0.00 H new ATOM 0 HE ARG A 23 188.010 -5.116 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 23 184.902 -3.937 8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 23 185.642 -2.934 9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 23 188.944 -3.827 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 23 187.919 -2.872 10.106 1.00 0.00 H new ATOM 300 N VAL A 24 183.772 -2.481 3.700 1.00 0.00 N ATOM 301 CA VAL A 24 183.059 -1.221 3.863 1.00 0.00 C ATOM 302 C VAL A 24 182.203 -1.243 5.126 1.00 0.00 C ATOM 303 O VAL A 24 181.865 -2.309 5.637 1.00 0.00 O ATOM 304 CB VAL A 24 182.159 -0.926 2.648 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.526 0.451 2.769 1.00 0.00 C ATOM 306 CG2 VAL A 24 182.952 -1.044 1.355 1.00 0.00 C ATOM 0 H VAL A 24 183.172 -3.306 3.692 1.00 0.00 H new ATOM 0 HA VAL A 24 183.809 -0.434 3.946 1.00 0.00 H new ATOM 0 HB VAL A 24 181.359 -1.666 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.895 0.639 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.920 0.495 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.309 1.208 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.300 -0.832 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.775 -0.330 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.350 -2.055 1.263 1.00 0.00 H new ATOM 316 N SER A 25 181.853 -0.061 5.626 1.00 0.00 N ATOM 317 CA SER A 25 181.036 0.045 6.831 1.00 0.00 C ATOM 318 C SER A 25 180.196 1.318 6.817 1.00 0.00 C ATOM 319 O SER A 25 180.633 2.356 6.323 1.00 0.00 O ATOM 320 CB SER A 25 181.922 0.019 8.078 1.00 0.00 C ATOM 321 OG SER A 25 183.189 -0.549 7.793 1.00 0.00 O ATOM 0 H SER A 25 182.121 0.834 5.217 1.00 0.00 H new ATOM 0 HA SER A 25 180.361 -0.810 6.854 1.00 0.00 H new ATOM 0 HB2 SER A 25 182.052 1.033 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.432 -0.555 8.864 1.00 0.00 H new ATOM 0 HG SER A 25 183.736 -0.552 8.606 1.00 0.00 H new ATOM 327 N ILE A 26 178.987 1.230 7.365 1.00 0.00 N ATOM 328 CA ILE A 26 178.085 2.380 7.413 1.00 0.00 C ATOM 329 C ILE A 26 177.324 2.440 8.737 1.00 0.00 C ATOM 330 O ILE A 26 176.697 1.458 9.143 1.00 0.00 O ATOM 331 CB ILE A 26 177.052 2.334 6.270 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.446 0.935 6.163 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.689 2.748 4.955 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.935 0.940 6.098 1.00 0.00 C ATOM 0 H ILE A 26 178.609 0.379 7.781 1.00 0.00 H new ATOM 0 HA ILE A 26 178.713 3.265 7.308 1.00 0.00 H new ATOM 0 HB ILE A 26 176.253 3.041 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.839 0.444 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.764 0.343 7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.943 2.709 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.074 3.764 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.508 2.069 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.571 -0.085 6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.534 1.403 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.610 1.505 5.224 1.00 0.00 H new ATOM 346 N PRO A 27 177.349 3.600 9.426 1.00 0.00 N ATOM 347 CA PRO A 27 176.640 3.777 10.698 1.00 0.00 C ATOM 348 C PRO A 27 175.145 3.512 10.552 1.00 0.00 C ATOM 349 O PRO A 27 174.381 4.395 10.163 1.00 0.00 O ATOM 350 CB PRO A 27 176.895 5.245 11.066 1.00 0.00 C ATOM 351 CG PRO A 27 177.358 5.896 9.807 1.00 0.00 C ATOM 352 CD PRO A 27 178.054 4.825 9.017 1.00 0.00 C ATOM 0 HA PRO A 27 176.988 3.079 11.460 1.00 0.00 H new ATOM 0 HB2 PRO A 27 175.988 5.719 11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 27 177.647 5.328 11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 27 176.517 6.308 9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.034 6.724 10.022 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.973 4.998 7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.117 4.776 9.252 1.00 0.00 H new ATOM 360 N ASP A 28 174.742 2.285 10.857 1.00 0.00 N ATOM 361 CA ASP A 28 173.344 1.884 10.753 1.00 0.00 C ATOM 362 C ASP A 28 172.452 2.727 11.657 1.00 0.00 C ATOM 363 O ASP A 28 172.921 3.352 12.609 1.00 0.00 O ATOM 364 CB ASP A 28 173.192 0.402 11.113 1.00 0.00 C ATOM 365 CG ASP A 28 171.750 -0.065 11.071 1.00 0.00 C ATOM 366 OD1 ASP A 28 171.019 0.347 10.146 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.350 -0.843 11.963 1.00 0.00 O ATOM 0 H ASP A 28 175.367 1.547 11.180 1.00 0.00 H new ATOM 0 HA ASP A 28 173.029 2.043 9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.784 -0.198 10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.596 0.231 12.111 1.00 0.00 H new ATOM 372 N ASP A 29 171.161 2.724 11.350 1.00 0.00 N ATOM 373 CA ASP A 29 170.180 3.468 12.125 1.00 0.00 C ATOM 374 C ASP A 29 168.848 2.728 12.124 1.00 0.00 C ATOM 375 O ASP A 29 167.790 3.320 11.912 1.00 0.00 O ATOM 376 CB ASP A 29 170.004 4.878 11.558 1.00 0.00 C ATOM 377 CG ASP A 29 169.962 5.936 12.642 1.00 0.00 C ATOM 378 OD1 ASP A 29 170.832 5.903 13.538 1.00 0.00 O ATOM 379 OD2 ASP A 29 169.058 6.798 12.597 1.00 0.00 O ATOM 0 H ASP A 29 170.768 2.209 10.562 1.00 0.00 H new ATOM 0 HA ASP A 29 170.537 3.554 13.151 1.00 0.00 H new ATOM 0 HB2 ASP A 29 170.823 5.096 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.083 4.921 10.977 1.00 0.00 H new ATOM 384 N GLY A 30 168.915 1.421 12.363 1.00 0.00 N ATOM 385 CA GLY A 30 167.726 0.605 12.386 1.00 0.00 C ATOM 386 C GLY A 30 167.081 0.474 11.022 1.00 0.00 C ATOM 387 O GLY A 30 165.858 0.527 10.897 1.00 0.00 O ATOM 0 H GLY A 30 169.782 0.914 12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.978 -0.387 12.761 1.00 0.00 H new ATOM 0 HA3 GLY A 30 167.008 1.036 13.083 1.00 0.00 H new ATOM 391 N PHE A 31 167.907 0.304 9.993 1.00 0.00 N ATOM 392 CA PHE A 31 167.406 0.167 8.630 1.00 0.00 C ATOM 393 C PHE A 31 167.004 -1.269 8.332 1.00 0.00 C ATOM 394 O PHE A 31 166.968 -2.121 9.220 1.00 0.00 O ATOM 395 CB PHE A 31 168.461 0.609 7.614 1.00 0.00 C ATOM 396 CG PHE A 31 169.110 1.920 7.952 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.340 3.016 8.307 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.488 2.056 7.917 1.00 0.00 C ATOM 399 CE1 PHE A 31 168.933 4.225 8.619 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.087 3.263 8.229 1.00 0.00 C ATOM 401 CZ PHE A 31 170.308 4.347 8.580 1.00 0.00 C ATOM 0 H PHE A 31 168.922 0.258 10.077 1.00 0.00 H new ATOM 0 HA PHE A 31 166.528 0.808 8.545 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.230 -0.160 7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.997 0.686 6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.264 2.925 8.340 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.101 1.210 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.322 5.073 8.893 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.162 3.357 8.198 1.00 0.00 H new ATOM 0 HZ PHE A 31 170.774 5.290 8.824 1.00 0.00 H new ATOM 411 N SER A 32 166.711 -1.518 7.067 1.00 0.00 N ATOM 412 CA SER A 32 166.315 -2.834 6.609 1.00 0.00 C ATOM 413 C SER A 32 167.097 -3.227 5.362 1.00 0.00 C ATOM 414 O SER A 32 167.324 -4.412 5.119 1.00 0.00 O ATOM 415 CB SER A 32 164.813 -2.873 6.320 1.00 0.00 C ATOM 416 OG SER A 32 164.065 -2.928 7.523 1.00 0.00 O ATOM 0 H SER A 32 166.742 -0.813 6.331 1.00 0.00 H new ATOM 0 HA SER A 32 166.538 -3.550 7.400 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.526 -1.990 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.580 -3.741 5.703 1.00 0.00 H new ATOM 0 HG SER A 32 163.108 -2.950 7.313 1.00 0.00 H new ATOM 422 N LEU A 33 167.519 -2.238 4.570 1.00 0.00 N ATOM 423 CA LEU A 33 168.285 -2.545 3.359 1.00 0.00 C ATOM 424 C LEU A 33 169.416 -1.559 3.129 1.00 0.00 C ATOM 425 O LEU A 33 169.217 -0.351 3.181 1.00 0.00 O ATOM 426 CB LEU A 33 167.393 -2.551 2.118 1.00 0.00 C ATOM 427 CG LEU A 33 167.965 -3.329 0.930 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.707 -4.820 1.081 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.387 -2.812 -0.380 1.00 0.00 C ATOM 0 H LEU A 33 167.350 -1.246 4.737 1.00 0.00 H new ATOM 0 HA LEU A 33 168.705 -3.538 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.425 -2.977 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.214 -1.521 1.810 1.00 0.00 H new ATOM 0 HG LEU A 33 169.044 -3.174 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.123 -5.350 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.179 -5.180 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.633 -5.000 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.807 -3.378 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.303 -2.929 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.637 -1.757 -0.497 1.00 0.00 H new ATOM 441 N PHE A 34 170.598 -2.095 2.845 1.00 0.00 N ATOM 442 CA PHE A 34 171.770 -1.279 2.566 1.00 0.00 C ATOM 443 C PHE A 34 172.370 -1.649 1.210 1.00 0.00 C ATOM 444 O PHE A 34 173.195 -2.557 1.113 1.00 0.00 O ATOM 445 CB PHE A 34 172.818 -1.464 3.660 1.00 0.00 C ATOM 446 CG PHE A 34 174.090 -0.709 3.395 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.074 0.667 3.244 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.298 -1.379 3.285 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.240 1.363 2.988 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.468 -0.688 3.032 1.00 0.00 C ATOM 451 CZ PHE A 34 176.439 0.685 2.882 1.00 0.00 C ATOM 0 H PHE A 34 170.768 -3.100 2.802 1.00 0.00 H new ATOM 0 HA PHE A 34 171.460 -0.234 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.401 -1.137 4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 34 173.047 -2.525 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.140 1.202 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.326 -2.453 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.214 2.436 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.404 -1.221 2.952 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.352 1.227 2.682 1.00 0.00 H new ATOM 461 N ALA A 35 171.953 -0.939 0.166 1.00 0.00 N ATOM 462 CA ALA A 35 172.451 -1.195 -1.179 1.00 0.00 C ATOM 463 C ALA A 35 173.735 -0.417 -1.439 1.00 0.00 C ATOM 464 O ALA A 35 173.816 0.778 -1.157 1.00 0.00 O ATOM 465 CB ALA A 35 171.394 -0.831 -2.211 1.00 0.00 C ATOM 0 H ALA A 35 171.272 -0.182 0.227 1.00 0.00 H new ATOM 0 HA ALA A 35 172.674 -2.259 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.780 -1.027 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.499 -1.431 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.145 0.226 -2.119 1.00 0.00 H new ATOM 471 N PHE A 36 174.741 -1.103 -1.971 1.00 0.00 N ATOM 472 CA PHE A 36 176.023 -0.474 -2.259 1.00 0.00 C ATOM 473 C PHE A 36 176.381 -0.592 -3.737 1.00 0.00 C ATOM 474 O PHE A 36 176.448 -1.693 -4.282 1.00 0.00 O ATOM 475 CB PHE A 36 177.125 -1.107 -1.407 1.00 0.00 C ATOM 476 CG PHE A 36 178.441 -0.387 -1.492 1.00 0.00 C ATOM 477 CD1 PHE A 36 179.322 -0.646 -2.530 1.00 0.00 C ATOM 478 CD2 PHE A 36 178.796 0.549 -0.535 1.00 0.00 C ATOM 479 CE1 PHE A 36 180.533 0.014 -2.610 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.007 1.213 -0.610 1.00 0.00 C ATOM 481 CZ PHE A 36 180.876 0.945 -1.649 1.00 0.00 C ATOM 0 H PHE A 36 174.693 -2.093 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 36 175.937 0.584 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 36 176.800 -1.130 -0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.266 -2.141 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 36 179.059 -1.372 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 36 178.119 0.763 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 36 181.211 -0.198 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 36 180.273 1.940 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.822 1.462 -1.710 1.00 0.00 H new ATOM 491 N HIS A 37 176.612 0.553 -4.375 1.00 0.00 N ATOM 492 CA HIS A 37 176.972 0.609 -5.777 1.00 0.00 C ATOM 493 C HIS A 37 178.276 1.386 -5.924 1.00 0.00 C ATOM 494 O HIS A 37 178.331 2.557 -5.552 1.00 0.00 O ATOM 495 CB HIS A 37 175.866 1.315 -6.547 1.00 0.00 C ATOM 496 CG HIS A 37 175.180 0.450 -7.558 1.00 0.00 C ATOM 497 ND1 HIS A 37 174.588 0.944 -8.702 1.00 0.00 N ATOM 498 CD2 HIS A 37 174.972 -0.889 -7.580 1.00 0.00 C ATOM 499 CE1 HIS A 37 174.047 -0.051 -9.381 1.00 0.00 C ATOM 500 NE2 HIS A 37 174.266 -1.173 -8.722 1.00 0.00 N ATOM 0 H HIS A 37 176.553 1.467 -3.927 1.00 0.00 H new ATOM 0 HA HIS A 37 177.102 -0.399 -6.171 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.125 1.687 -5.839 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.287 2.184 -7.053 1.00 0.00 H new ATOM 0 HD2 HIS A 37 175.301 -1.600 -6.837 1.00 0.00 H new ATOM 0 HE1 HIS A 37 173.515 0.038 -10.317 1.00 0.00 H new ATOM 0 HE2 HIS A 37 173.960 -2.101 -9.014 1.00 0.00 H new ATOM 509 N GLY A 38 179.327 0.754 -6.444 1.00 0.00 N ATOM 510 CA GLY A 38 180.586 1.472 -6.569 1.00 0.00 C ATOM 511 C GLY A 38 181.455 1.006 -7.713 1.00 0.00 C ATOM 512 O GLY A 38 181.678 -0.190 -7.891 1.00 0.00 O ATOM 0 H GLY A 38 179.333 -0.212 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.374 2.534 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.144 1.369 -5.638 1.00 0.00 H new ATOM 516 N LYS A 39 181.965 1.968 -8.475 1.00 0.00 N ATOM 517 CA LYS A 39 182.838 1.677 -9.604 1.00 0.00 C ATOM 518 C LYS A 39 184.283 2.030 -9.262 1.00 0.00 C ATOM 519 O LYS A 39 184.540 2.951 -8.483 1.00 0.00 O ATOM 520 CB LYS A 39 182.388 2.459 -10.839 1.00 0.00 C ATOM 521 CG LYS A 39 182.845 1.839 -12.150 1.00 0.00 C ATOM 522 CD LYS A 39 182.027 2.353 -13.323 1.00 0.00 C ATOM 523 CE LYS A 39 181.826 1.275 -14.376 1.00 0.00 C ATOM 524 NZ LYS A 39 182.836 1.366 -15.465 1.00 0.00 N ATOM 0 H LYS A 39 181.787 2.962 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 39 182.778 0.611 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.300 2.528 -10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.772 3.477 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 39 183.899 2.065 -12.313 1.00 0.00 H new ATOM 0 HG3 LYS A 39 182.757 0.754 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 39 181.057 2.701 -12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 39 182.529 3.211 -13.770 1.00 0.00 H new ATOM 0 HE2 LYS A 39 181.886 0.293 -13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 39 180.826 1.364 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 182.891 0.455 -15.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 182.558 2.112 -16.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 183.765 1.595 -15.058 1.00 0.00 H new ATOM 538 N LEU A 40 185.220 1.291 -9.844 1.00 0.00 N ATOM 539 CA LEU A 40 186.638 1.524 -9.596 1.00 0.00 C ATOM 540 C LEU A 40 187.267 2.333 -10.725 1.00 0.00 C ATOM 541 O LEU A 40 187.233 1.930 -11.888 1.00 0.00 O ATOM 542 CB LEU A 40 187.372 0.191 -9.435 1.00 0.00 C ATOM 543 CG LEU A 40 188.765 0.291 -8.811 1.00 0.00 C ATOM 544 CD1 LEU A 40 188.667 0.707 -7.352 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.500 -1.035 -8.939 1.00 0.00 C ATOM 0 H LEU A 40 185.024 0.526 -10.490 1.00 0.00 H new ATOM 0 HA LEU A 40 186.730 2.097 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 40 186.762 -0.471 -8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.462 -0.278 -10.415 1.00 0.00 H new ATOM 0 HG LEU A 40 189.330 1.053 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 40 189.667 0.773 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.178 1.679 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.085 -0.032 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.489 -0.947 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 40 188.937 -1.814 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.601 -1.295 -9.993 1.00 0.00 H new ATOM 557 N ASN A 41 187.844 3.478 -10.373 1.00 0.00 N ATOM 558 CA ASN A 41 188.487 4.347 -11.352 1.00 0.00 C ATOM 559 C ASN A 41 187.496 4.795 -12.424 1.00 0.00 C ATOM 560 O ASN A 41 187.700 4.553 -13.614 1.00 0.00 O ATOM 561 CB ASN A 41 189.674 3.630 -12.001 1.00 0.00 C ATOM 562 CG ASN A 41 190.842 4.561 -12.259 1.00 0.00 C ATOM 563 OD1 ASN A 41 190.724 5.777 -12.116 1.00 0.00 O ATOM 564 ND2 ASN A 41 191.979 3.992 -12.642 1.00 0.00 N ATOM 0 H ASN A 41 187.879 3.826 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 41 188.848 5.233 -10.830 1.00 0.00 H new ATOM 0 HB2 ASN A 41 189.999 2.814 -11.355 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.354 3.183 -12.942 1.00 0.00 H new ATOM 0 HD21 ASN A 41 192.799 4.568 -12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 41 192.032 2.979 -12.748 1.00 0.00 H new ATOM 571 N GLU A 42 186.427 5.460 -11.991 1.00 0.00 N ATOM 572 CA GLU A 42 185.403 5.958 -12.898 1.00 0.00 C ATOM 573 C GLU A 42 184.255 6.575 -12.114 1.00 0.00 C ATOM 574 O GLU A 42 183.490 5.875 -11.449 1.00 0.00 O ATOM 575 CB GLU A 42 184.866 4.848 -13.800 1.00 0.00 C ATOM 576 CG GLU A 42 183.906 5.362 -14.858 1.00 0.00 C ATOM 577 CD GLU A 42 183.444 4.277 -15.810 1.00 0.00 C ATOM 578 OE1 GLU A 42 184.307 3.668 -16.478 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.222 4.036 -15.889 1.00 0.00 O ATOM 0 H GLU A 42 186.250 5.666 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 42 185.865 6.719 -13.527 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.702 4.346 -14.287 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.359 4.102 -13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 42 183.038 5.804 -14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.391 6.156 -15.427 1.00 0.00 H new ATOM 586 N GLU A 43 184.149 7.889 -12.195 1.00 0.00 N ATOM 587 CA GLU A 43 183.102 8.624 -11.493 1.00 0.00 C ATOM 588 C GLU A 43 181.717 8.112 -11.869 1.00 0.00 C ATOM 589 O GLU A 43 181.575 7.062 -12.498 1.00 0.00 O ATOM 590 CB GLU A 43 183.200 10.119 -11.802 1.00 0.00 C ATOM 591 CG GLU A 43 184.589 10.684 -11.589 1.00 0.00 C ATOM 592 CD GLU A 43 184.701 12.137 -12.008 1.00 0.00 C ATOM 593 OE1 GLU A 43 183.679 12.853 -11.948 1.00 0.00 O ATOM 594 OE2 GLU A 43 185.811 12.560 -12.394 1.00 0.00 O ATOM 0 H GLU A 43 184.778 8.476 -12.743 1.00 0.00 H new ATOM 0 HA GLU A 43 183.248 8.466 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.900 10.290 -12.836 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.494 10.660 -11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.857 10.592 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.308 10.091 -12.154 1.00 0.00 H new ATOM 601 N MET A 44 180.701 8.868 -11.477 1.00 0.00 N ATOM 602 CA MET A 44 179.316 8.510 -11.762 1.00 0.00 C ATOM 603 C MET A 44 178.404 9.724 -11.604 1.00 0.00 C ATOM 604 O MET A 44 178.664 10.605 -10.784 1.00 0.00 O ATOM 605 CB MET A 44 178.840 7.372 -10.842 1.00 0.00 C ATOM 606 CG MET A 44 179.827 7.004 -9.742 1.00 0.00 C ATOM 607 SD MET A 44 179.026 6.265 -8.304 1.00 0.00 S ATOM 608 CE MET A 44 178.602 4.640 -8.934 1.00 0.00 C ATOM 0 H MET A 44 180.810 9.739 -10.957 1.00 0.00 H new ATOM 0 HA MET A 44 179.267 8.163 -12.794 1.00 0.00 H new ATOM 0 HB2 MET A 44 177.894 7.662 -10.384 1.00 0.00 H new ATOM 0 HB3 MET A 44 178.643 6.488 -11.448 1.00 0.00 H new ATOM 0 HG2 MET A 44 180.564 6.307 -10.140 1.00 0.00 H new ATOM 0 HG3 MET A 44 180.368 7.898 -9.432 1.00 0.00 H new ATOM 0 HE1 MET A 44 178.366 3.977 -8.101 1.00 0.00 H new ATOM 0 HE2 MET A 44 177.736 4.719 -9.592 1.00 0.00 H new ATOM 0 HE3 MET A 44 179.446 4.235 -9.492 1.00 0.00 H new ATOM 618 N ASP A 45 177.337 9.764 -12.395 1.00 0.00 N ATOM 619 CA ASP A 45 176.388 10.871 -12.342 1.00 0.00 C ATOM 620 C ASP A 45 174.955 10.353 -12.340 1.00 0.00 C ATOM 621 O ASP A 45 174.096 10.852 -13.066 1.00 0.00 O ATOM 622 CB ASP A 45 176.603 11.814 -13.528 1.00 0.00 C ATOM 623 CG ASP A 45 175.837 13.114 -13.379 1.00 0.00 C ATOM 624 OD1 ASP A 45 176.387 14.062 -12.778 1.00 0.00 O ATOM 625 OD2 ASP A 45 174.688 13.184 -13.863 1.00 0.00 O ATOM 0 H ASP A 45 177.108 9.044 -13.080 1.00 0.00 H new ATOM 0 HA ASP A 45 176.559 11.422 -11.417 1.00 0.00 H new ATOM 0 HB2 ASP A 45 177.666 12.031 -13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 45 176.292 11.315 -14.446 1.00 0.00 H new ATOM 630 N GLY A 46 174.713 9.339 -11.521 1.00 0.00 N ATOM 631 CA GLY A 46 173.407 8.749 -11.428 1.00 0.00 C ATOM 632 C GLY A 46 173.448 7.422 -10.706 1.00 0.00 C ATOM 633 O GLY A 46 174.024 7.316 -9.623 1.00 0.00 O ATOM 0 H GLY A 46 175.414 8.914 -10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 46 172.736 9.429 -10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 46 172.999 8.607 -12.429 1.00 0.00 H new ATOM 637 N LEU A 47 172.834 6.411 -11.298 1.00 0.00 N ATOM 638 CA LEU A 47 172.793 5.097 -10.710 1.00 0.00 C ATOM 639 C LEU A 47 173.394 4.059 -11.649 1.00 0.00 C ATOM 640 O LEU A 47 172.680 3.252 -12.244 1.00 0.00 O ATOM 641 CB LEU A 47 171.352 4.772 -10.388 1.00 0.00 C ATOM 642 CG LEU A 47 170.683 5.809 -9.492 1.00 0.00 C ATOM 643 CD1 LEU A 47 169.169 5.719 -9.597 1.00 0.00 C ATOM 644 CD2 LEU A 47 171.141 5.630 -8.054 1.00 0.00 C ATOM 0 H LEU A 47 172.354 6.485 -12.195 1.00 0.00 H new ATOM 0 HA LEU A 47 173.389 5.079 -9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 47 170.789 4.689 -11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 47 171.307 3.798 -9.900 1.00 0.00 H new ATOM 0 HG LEU A 47 170.980 6.803 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 47 168.714 6.468 -8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 47 168.865 5.898 -10.628 1.00 0.00 H new ATOM 0 HD13 LEU A 47 168.841 4.726 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 47 170.657 6.375 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 47 170.872 4.632 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 47 172.222 5.754 -7.998 1.00 0.00 H new ATOM 656 N GLU A 48 174.715 4.094 -11.774 1.00 0.00 N ATOM 657 CA GLU A 48 175.428 3.163 -12.641 1.00 0.00 C ATOM 658 C GLU A 48 175.824 1.902 -11.881 1.00 0.00 C ATOM 659 O GLU A 48 176.156 1.955 -10.697 1.00 0.00 O ATOM 660 CB GLU A 48 176.673 3.833 -13.227 1.00 0.00 C ATOM 661 CG GLU A 48 176.374 4.751 -14.401 1.00 0.00 C ATOM 662 CD GLU A 48 176.968 6.135 -14.228 1.00 0.00 C ATOM 663 OE1 GLU A 48 176.516 6.867 -13.322 1.00 0.00 O ATOM 664 OE2 GLU A 48 177.885 6.488 -14.999 1.00 0.00 O ATOM 0 H GLU A 48 175.315 4.758 -11.285 1.00 0.00 H new ATOM 0 HA GLU A 48 174.760 2.878 -13.453 1.00 0.00 H new ATOM 0 HB2 GLU A 48 177.169 4.407 -12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 48 177.373 3.062 -13.549 1.00 0.00 H new ATOM 0 HG2 GLU A 48 176.765 4.304 -15.315 1.00 0.00 H new ATOM 0 HG3 GLU A 48 175.294 4.836 -14.524 1.00 0.00 H new ATOM 671 N ALA A 49 175.782 0.767 -12.571 1.00 0.00 N ATOM 672 CA ALA A 49 176.130 -0.513 -11.971 1.00 0.00 C ATOM 673 C ALA A 49 177.509 -0.472 -11.318 1.00 0.00 C ATOM 674 O ALA A 49 177.793 -1.244 -10.402 1.00 0.00 O ATOM 675 CB ALA A 49 176.073 -1.616 -13.016 1.00 0.00 C ATOM 0 H ALA A 49 175.508 0.709 -13.552 1.00 0.00 H new ATOM 0 HA ALA A 49 175.400 -0.723 -11.189 1.00 0.00 H new ATOM 0 HB1 ALA A 49 176.335 -2.568 -12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 49 175.065 -1.677 -13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.778 -1.395 -13.817 1.00 0.00 H new ATOM 681 N GLY A 50 178.365 0.428 -11.797 1.00 0.00 N ATOM 682 CA GLY A 50 179.706 0.548 -11.252 1.00 0.00 C ATOM 683 C GLY A 50 180.394 -0.795 -11.108 1.00 0.00 C ATOM 684 O GLY A 50 180.738 -1.436 -12.101 1.00 0.00 O ATOM 0 H GLY A 50 178.152 1.077 -12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 50 180.302 1.191 -11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.657 1.034 -10.278 1.00 0.00 H new ATOM 688 N HIS A 51 180.586 -1.224 -9.867 1.00 0.00 N ATOM 689 CA HIS A 51 181.226 -2.502 -9.589 1.00 0.00 C ATOM 690 C HIS A 51 180.572 -3.179 -8.393 1.00 0.00 C ATOM 691 O HIS A 51 179.735 -4.068 -8.553 1.00 0.00 O ATOM 692 CB HIS A 51 182.726 -2.315 -9.343 1.00 0.00 C ATOM 693 CG HIS A 51 183.588 -2.981 -10.372 1.00 0.00 C ATOM 694 ND1 HIS A 51 183.444 -4.304 -10.731 1.00 0.00 N ATOM 695 CD2 HIS A 51 184.605 -2.497 -11.123 1.00 0.00 C ATOM 696 CE1 HIS A 51 184.338 -4.606 -11.656 1.00 0.00 C ATOM 697 NE2 HIS A 51 185.054 -3.527 -11.912 1.00 0.00 N ATOM 0 H HIS A 51 180.307 -0.704 -9.035 1.00 0.00 H new ATOM 0 HA HIS A 51 181.099 -3.143 -10.461 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.953 -1.249 -9.325 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.977 -2.711 -8.359 1.00 0.00 H new ATOM 0 HD2 HIS A 51 184.991 -1.489 -11.105 1.00 0.00 H new ATOM 0 HE1 HIS A 51 184.462 -5.572 -12.123 1.00 0.00 H new ATOM 0 HE2 HIS A 51 185.817 -3.468 -12.586 1.00 0.00 H new ATOM 706 N TRP A 52 180.946 -2.749 -7.194 1.00 0.00 N ATOM 707 CA TRP A 52 180.378 -3.311 -5.979 1.00 0.00 C ATOM 708 C TRP A 52 178.875 -3.077 -5.948 1.00 0.00 C ATOM 709 O TRP A 52 178.415 -2.020 -5.520 1.00 0.00 O ATOM 710 CB TRP A 52 181.036 -2.688 -4.749 1.00 0.00 C ATOM 711 CG TRP A 52 182.484 -3.042 -4.619 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.002 -4.218 -4.161 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.603 -2.213 -4.956 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.374 -4.172 -4.190 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.767 -2.951 -4.674 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.733 -0.918 -5.468 1.00 0.00 C ATOM 717 CZ2 TRP A 52 186.044 -2.438 -4.889 1.00 0.00 C ATOM 718 CZ3 TRP A 52 185.001 -0.410 -5.680 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.142 -1.169 -5.391 1.00 0.00 C ATOM 0 H TRP A 52 181.638 -2.016 -7.039 1.00 0.00 H new ATOM 0 HA TRP A 52 180.567 -4.384 -5.968 1.00 0.00 H new ATOM 0 HB2 TRP A 52 180.936 -1.604 -4.800 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.506 -3.016 -3.855 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.418 -5.062 -3.825 1.00 0.00 H new ATOM 0 HE1 TRP A 52 184.999 -4.924 -3.899 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.859 -0.326 -5.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 186.926 -3.021 -4.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.114 0.589 -6.075 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.119 -0.744 -5.568 1.00 0.00 H new ATOM 730 N ALA A 53 178.121 -4.065 -6.423 1.00 0.00 N ATOM 731 CA ALA A 53 176.665 -3.975 -6.463 1.00 0.00 C ATOM 732 C ALA A 53 176.019 -5.060 -5.609 1.00 0.00 C ATOM 733 O ALA A 53 175.629 -6.110 -6.118 1.00 0.00 O ATOM 734 CB ALA A 53 176.172 -4.070 -7.900 1.00 0.00 C ATOM 0 H ALA A 53 178.497 -4.941 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 53 176.376 -3.008 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 53 175.084 -4.002 -7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.596 -3.254 -8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.482 -5.023 -8.329 1.00 0.00 H new ATOM 740 N ARG A 54 175.918 -4.810 -4.310 1.00 0.00 N ATOM 741 CA ARG A 54 175.328 -5.779 -3.398 1.00 0.00 C ATOM 742 C ARG A 54 174.331 -5.120 -2.447 1.00 0.00 C ATOM 743 O ARG A 54 174.611 -4.074 -1.863 1.00 0.00 O ATOM 744 CB ARG A 54 176.435 -6.473 -2.610 1.00 0.00 C ATOM 745 CG ARG A 54 175.929 -7.554 -1.667 1.00 0.00 C ATOM 746 CD ARG A 54 176.174 -7.195 -0.209 1.00 0.00 C ATOM 747 NE ARG A 54 177.071 -8.146 0.443 1.00 0.00 N ATOM 748 CZ ARG A 54 176.737 -9.401 0.733 1.00 0.00 C ATOM 749 NH1 ARG A 54 175.527 -9.859 0.436 1.00 0.00 N ATOM 750 NH2 ARG A 54 177.616 -10.201 1.323 1.00 0.00 N ATOM 0 H ARG A 54 176.236 -3.948 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 54 174.780 -6.515 -3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 54 177.144 -6.916 -3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 54 176.981 -5.727 -2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 54 174.862 -7.707 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 54 176.424 -8.497 -1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 54 176.600 -6.194 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 54 175.223 -7.169 0.323 1.00 0.00 H new ATOM 0 HE ARG A 54 178.008 -7.829 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 54 174.847 -9.248 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 54 175.277 -10.822 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 54 178.547 -9.854 1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 54 177.361 -11.163 1.546 1.00 0.00 H new ATOM 764 N ASP A 55 173.165 -5.746 -2.297 1.00 0.00 N ATOM 765 CA ASP A 55 172.119 -5.233 -1.420 1.00 0.00 C ATOM 766 C ASP A 55 172.013 -6.073 -0.150 1.00 0.00 C ATOM 767 O ASP A 55 171.597 -7.230 -0.195 1.00 0.00 O ATOM 768 CB ASP A 55 170.774 -5.228 -2.151 1.00 0.00 C ATOM 769 CG ASP A 55 170.064 -3.893 -2.046 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.374 -3.128 -1.108 1.00 0.00 O ATOM 771 OD2 ASP A 55 169.197 -3.613 -2.900 1.00 0.00 O ATOM 0 H ASP A 55 172.922 -6.614 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 55 172.381 -4.213 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 55 170.934 -5.470 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.136 -6.009 -1.738 1.00 0.00 H new ATOM 776 N ILE A 56 172.385 -5.483 0.981 1.00 0.00 N ATOM 777 CA ILE A 56 172.324 -6.181 2.258 1.00 0.00 C ATOM 778 C ILE A 56 170.997 -5.907 2.957 1.00 0.00 C ATOM 779 O ILE A 56 170.381 -4.862 2.746 1.00 0.00 O ATOM 780 CB ILE A 56 173.482 -5.763 3.187 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.813 -5.796 2.432 1.00 0.00 C ATOM 782 CG2 ILE A 56 173.540 -6.676 4.404 1.00 0.00 C ATOM 783 CD1 ILE A 56 175.855 -4.859 3.001 1.00 0.00 C ATOM 0 H ILE A 56 172.731 -4.525 1.039 1.00 0.00 H new ATOM 0 HA ILE A 56 172.413 -7.247 2.047 1.00 0.00 H new ATOM 0 HB ILE A 56 173.303 -4.743 3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.204 -6.813 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.636 -5.538 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.362 -6.369 5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 56 172.601 -6.609 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 56 173.698 -7.705 4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.772 -4.936 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 56 175.484 -3.835 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.062 -5.130 4.036 1.00 0.00 H new ATOM 795 N THR A 57 170.553 -6.852 3.780 1.00 0.00 N ATOM 796 CA THR A 57 169.289 -6.703 4.496 1.00 0.00 C ATOM 797 C THR A 57 169.486 -6.742 6.010 1.00 0.00 C ATOM 798 O THR A 57 168.659 -6.225 6.761 1.00 0.00 O ATOM 799 CB THR A 57 168.310 -7.801 4.073 1.00 0.00 C ATOM 800 OG1 THR A 57 168.825 -9.081 4.393 1.00 0.00 O ATOM 801 CG2 THR A 57 167.997 -7.787 2.593 1.00 0.00 C ATOM 0 H THR A 57 171.046 -7.725 3.968 1.00 0.00 H new ATOM 0 HA THR A 57 168.879 -5.727 4.236 1.00 0.00 H new ATOM 0 HB THR A 57 167.391 -7.597 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 57 168.185 -9.770 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.298 -8.590 2.361 1.00 0.00 H new ATOM 0 HG22 THR A 57 167.551 -6.829 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 57 168.916 -7.931 2.025 1.00 0.00 H new ATOM 809 N LYS A 58 170.575 -7.359 6.458 1.00 0.00 N ATOM 810 CA LYS A 58 170.854 -7.461 7.887 1.00 0.00 C ATOM 811 C LYS A 58 172.214 -6.850 8.231 1.00 0.00 C ATOM 812 O LYS A 58 173.244 -7.285 7.717 1.00 0.00 O ATOM 813 CB LYS A 58 170.816 -8.925 8.330 1.00 0.00 C ATOM 814 CG LYS A 58 170.063 -9.147 9.632 1.00 0.00 C ATOM 815 CD LYS A 58 171.013 -9.289 10.812 1.00 0.00 C ATOM 816 CE LYS A 58 170.605 -8.389 11.969 1.00 0.00 C ATOM 817 NZ LYS A 58 169.667 -9.073 12.901 1.00 0.00 N ATOM 0 H LYS A 58 171.275 -7.794 5.857 1.00 0.00 H new ATOM 0 HA LYS A 58 170.084 -6.903 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 58 170.351 -9.522 7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 58 171.837 -9.288 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 58 169.386 -8.311 9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 58 169.448 -10.043 9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 58 171.028 -10.327 11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 58 172.026 -9.041 10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 58 171.494 -8.074 12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 58 170.135 -7.486 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 169.413 -8.426 13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 168.807 -9.351 12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 170.124 -9.920 13.294 1.00 0.00 H new ATOM 831 N PRO A 59 172.239 -5.833 9.116 1.00 0.00 N ATOM 832 CA PRO A 59 173.486 -5.177 9.525 1.00 0.00 C ATOM 833 C PRO A 59 174.471 -6.157 10.147 1.00 0.00 C ATOM 834 O PRO A 59 174.316 -7.372 10.030 1.00 0.00 O ATOM 835 CB PRO A 59 173.035 -4.153 10.575 1.00 0.00 C ATOM 836 CG PRO A 59 171.585 -3.941 10.313 1.00 0.00 C ATOM 837 CD PRO A 59 171.064 -5.248 9.787 1.00 0.00 C ATOM 0 HA PRO A 59 174.005 -4.735 8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 59 173.203 -4.525 11.586 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.593 -3.221 10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 59 171.062 -3.651 11.224 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.432 -3.140 9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.698 -5.888 10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.236 -5.102 9.094 1.00 0.00 H new ATOM 845 N LYS A 60 175.475 -5.615 10.824 1.00 0.00 N ATOM 846 CA LYS A 60 176.484 -6.434 11.488 1.00 0.00 C ATOM 847 C LYS A 60 176.426 -6.211 12.995 1.00 0.00 C ATOM 848 O LYS A 60 176.441 -7.158 13.781 1.00 0.00 O ATOM 849 CB LYS A 60 177.880 -6.098 10.956 1.00 0.00 C ATOM 850 CG LYS A 60 178.499 -7.212 10.126 1.00 0.00 C ATOM 851 CD LYS A 60 178.987 -8.358 11.002 1.00 0.00 C ATOM 852 CE LYS A 60 178.189 -9.630 10.757 1.00 0.00 C ATOM 853 NZ LYS A 60 177.162 -9.855 11.811 1.00 0.00 N ATOM 0 H LYS A 60 175.614 -4.610 10.929 1.00 0.00 H new ATOM 0 HA LYS A 60 176.278 -7.483 11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.821 -5.194 10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.536 -5.875 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 60 177.765 -7.586 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 60 179.333 -6.815 9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 60 180.042 -8.546 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 60 178.907 -8.074 12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 60 177.703 -9.571 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 60 178.867 -10.483 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 177.184 -10.851 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 177.363 -9.243 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 176.220 -9.628 11.432 1.00 0.00 H new ATOM 867 N GLU A 61 176.343 -4.944 13.380 1.00 0.00 N ATOM 868 CA GLU A 61 176.262 -4.554 14.782 1.00 0.00 C ATOM 869 C GLU A 61 176.199 -3.043 14.884 1.00 0.00 C ATOM 870 O GLU A 61 177.209 -2.378 15.113 1.00 0.00 O ATOM 871 CB GLU A 61 177.458 -5.095 15.572 1.00 0.00 C ATOM 872 CG GLU A 61 177.413 -4.754 17.053 1.00 0.00 C ATOM 873 CD GLU A 61 178.426 -5.541 17.862 1.00 0.00 C ATOM 874 OE1 GLU A 61 179.566 -5.711 17.382 1.00 0.00 O ATOM 875 OE2 GLU A 61 178.079 -5.984 18.977 1.00 0.00 O ATOM 0 H GLU A 61 176.330 -4.158 12.730 1.00 0.00 H new ATOM 0 HA GLU A 61 175.357 -4.982 15.213 1.00 0.00 H new ATOM 0 HB2 GLU A 61 177.498 -6.178 15.458 1.00 0.00 H new ATOM 0 HB3 GLU A 61 178.377 -4.695 15.143 1.00 0.00 H new ATOM 0 HG2 GLU A 61 177.599 -3.688 17.183 1.00 0.00 H new ATOM 0 HG3 GLU A 61 176.413 -4.952 17.438 1.00 0.00 H new ATOM 882 N GLY A 62 175.006 -2.505 14.660 1.00 0.00 N ATOM 883 CA GLY A 62 174.837 -1.071 14.676 1.00 0.00 C ATOM 884 C GLY A 62 175.494 -0.444 13.463 1.00 0.00 C ATOM 885 O GLY A 62 175.474 0.774 13.291 1.00 0.00 O ATOM 0 H GLY A 62 174.157 -3.037 14.468 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.775 -0.824 14.690 1.00 0.00 H new ATOM 0 HA3 GLY A 62 175.272 -0.658 15.586 1.00 0.00 H new ATOM 889 N ARG A 63 176.081 -1.296 12.617 1.00 0.00 N ATOM 890 CA ARG A 63 176.756 -0.845 11.405 1.00 0.00 C ATOM 891 C ARG A 63 176.823 -1.974 10.383 1.00 0.00 C ATOM 892 O ARG A 63 177.235 -3.086 10.712 1.00 0.00 O ATOM 893 CB ARG A 63 178.171 -0.363 11.738 1.00 0.00 C ATOM 894 CG ARG A 63 178.273 1.139 11.944 1.00 0.00 C ATOM 895 CD ARG A 63 179.536 1.514 12.703 1.00 0.00 C ATOM 896 NE ARG A 63 179.281 1.701 14.130 1.00 0.00 N ATOM 897 CZ ARG A 63 180.105 2.346 14.952 1.00 0.00 C ATOM 898 NH1 ARG A 63 181.235 2.871 14.494 1.00 0.00 N ATOM 899 NH2 ARG A 63 179.798 2.469 16.237 1.00 0.00 N ATOM 0 H ARG A 63 176.100 -2.307 12.754 1.00 0.00 H new ATOM 0 HA ARG A 63 176.188 -0.018 10.980 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.514 -0.869 12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.844 -0.657 10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 63 178.266 1.641 10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 63 177.400 1.492 12.492 1.00 0.00 H new ATOM 0 HD2 ARG A 63 180.286 0.734 12.568 1.00 0.00 H new ATOM 0 HD3 ARG A 63 179.951 2.431 12.285 1.00 0.00 H new ATOM 0 HE ARG A 63 178.421 1.314 14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 63 181.476 2.781 13.507 1.00 0.00 H new ATOM 0 HH12 ARG A 63 181.862 3.364 15.129 1.00 0.00 H new ATOM 0 HH21 ARG A 63 178.930 2.069 16.595 1.00 0.00 H new ATOM 0 HH22 ARG A 63 180.430 2.963 16.867 1.00 0.00 H new ATOM 913 N TRP A 64 176.441 -1.694 9.139 1.00 0.00 N ATOM 914 CA TRP A 64 176.494 -2.707 8.104 1.00 0.00 C ATOM 915 C TRP A 64 177.926 -2.892 7.634 1.00 0.00 C ATOM 916 O TRP A 64 178.755 -1.987 7.760 1.00 0.00 O ATOM 917 CB TRP A 64 175.614 -2.340 6.915 1.00 0.00 C ATOM 918 CG TRP A 64 174.193 -2.023 7.276 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.752 -0.996 8.058 1.00 0.00 C ATOM 920 CD2 TRP A 64 173.022 -2.741 6.860 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.383 -1.030 8.155 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.911 -2.091 7.427 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.805 -3.870 6.063 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.605 -2.530 7.224 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.505 -4.304 5.863 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.420 -3.634 6.441 1.00 0.00 C ATOM 0 H TRP A 64 176.097 -0.784 8.832 1.00 0.00 H new ATOM 0 HA TRP A 64 176.120 -3.637 8.531 1.00 0.00 H new ATOM 0 HB2 TRP A 64 176.049 -1.479 6.408 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.621 -3.166 6.204 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.388 -0.263 8.532 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.810 -0.372 8.683 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.635 -4.393 5.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.767 -2.015 7.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.325 -5.175 5.250 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.418 -3.997 6.265 1.00 0.00 H new ATOM 937 N THR A 65 178.204 -4.067 7.097 1.00 0.00 N ATOM 938 CA THR A 65 179.538 -4.389 6.607 1.00 0.00 C ATOM 939 C THR A 65 179.481 -5.062 5.241 1.00 0.00 C ATOM 940 O THR A 65 178.911 -6.143 5.093 1.00 0.00 O ATOM 941 CB THR A 65 180.261 -5.296 7.604 1.00 0.00 C ATOM 942 OG1 THR A 65 180.298 -4.700 8.888 1.00 0.00 O ATOM 943 CG2 THR A 65 181.685 -5.612 7.203 1.00 0.00 C ATOM 0 H THR A 65 177.523 -4.818 6.988 1.00 0.00 H new ATOM 0 HA THR A 65 180.089 -3.455 6.502 1.00 0.00 H new ATOM 0 HB THR A 65 179.690 -6.225 7.616 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.895 -5.214 9.470 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.139 -6.259 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 65 181.687 -6.119 6.238 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.256 -4.686 7.128 1.00 0.00 H new ATOM 951 N PHE A 66 180.090 -4.425 4.248 1.00 0.00 N ATOM 952 CA PHE A 66 180.125 -4.970 2.897 1.00 0.00 C ATOM 953 C PHE A 66 181.544 -5.407 2.545 1.00 0.00 C ATOM 954 O PHE A 66 182.334 -4.624 2.018 1.00 0.00 O ATOM 955 CB PHE A 66 179.618 -3.932 1.889 1.00 0.00 C ATOM 956 CG PHE A 66 179.862 -4.310 0.454 1.00 0.00 C ATOM 957 CD1 PHE A 66 179.181 -5.370 -0.123 1.00 0.00 C ATOM 958 CD2 PHE A 66 180.773 -3.604 -0.314 1.00 0.00 C ATOM 959 CE1 PHE A 66 179.405 -5.719 -1.442 1.00 0.00 C ATOM 960 CE2 PHE A 66 181.001 -3.949 -1.632 1.00 0.00 C ATOM 961 CZ PHE A 66 180.316 -5.007 -2.197 1.00 0.00 C ATOM 0 H PHE A 66 180.567 -3.529 4.354 1.00 0.00 H new ATOM 0 HA PHE A 66 179.470 -5.840 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.548 -3.785 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 66 180.102 -2.977 2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 66 178.468 -5.930 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 66 181.311 -2.775 0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 66 178.868 -6.547 -1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 66 181.715 -3.392 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 66 180.493 -5.277 -3.228 1.00 0.00 H new ATOM 971 N ARG A 67 181.864 -6.661 2.854 1.00 0.00 N ATOM 972 CA ARG A 67 183.191 -7.200 2.581 1.00 0.00 C ATOM 973 C ARG A 67 183.244 -7.874 1.214 1.00 0.00 C ATOM 974 O ARG A 67 182.328 -8.603 0.832 1.00 0.00 O ATOM 975 CB ARG A 67 183.589 -8.198 3.671 1.00 0.00 C ATOM 976 CG ARG A 67 184.623 -7.655 4.646 1.00 0.00 C ATOM 977 CD ARG A 67 186.019 -8.158 4.314 1.00 0.00 C ATOM 978 NE ARG A 67 186.168 -9.584 4.593 1.00 0.00 N ATOM 979 CZ ARG A 67 186.377 -10.085 5.809 1.00 0.00 C ATOM 980 NH1 ARG A 67 186.465 -9.278 6.860 1.00 0.00 N ATOM 981 NH2 ARG A 67 186.497 -11.395 5.976 1.00 0.00 N ATOM 0 H ARG A 67 181.222 -7.321 3.293 1.00 0.00 H new ATOM 0 HA ARG A 67 183.897 -6.369 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 67 182.698 -8.492 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 67 183.983 -9.099 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 67 184.612 -6.565 4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 67 184.359 -7.953 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 67 186.231 -7.971 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 67 186.753 -7.597 4.892 1.00 0.00 H new ATOM 0 HE ARG A 67 186.108 -10.235 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 67 186.372 -8.270 6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 67 186.625 -9.667 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 67 186.429 -12.020 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 67 186.657 -11.778 6.908 1.00 0.00 H new ATOM 995 N ASP A 68 184.327 -7.628 0.484 1.00 0.00 N ATOM 996 CA ASP A 68 184.511 -8.212 -0.839 1.00 0.00 C ATOM 997 C ASP A 68 185.950 -8.683 -1.022 1.00 0.00 C ATOM 998 O ASP A 68 186.845 -7.883 -1.285 1.00 0.00 O ATOM 999 CB ASP A 68 184.148 -7.194 -1.924 1.00 0.00 C ATOM 1000 CG ASP A 68 183.249 -7.783 -2.992 1.00 0.00 C ATOM 1001 OD1 ASP A 68 183.765 -8.503 -3.873 1.00 0.00 O ATOM 1002 OD2 ASP A 68 182.028 -7.524 -2.948 1.00 0.00 O ATOM 0 H ASP A 68 185.092 -7.026 0.788 1.00 0.00 H new ATOM 0 HA ASP A 68 183.850 -9.074 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.650 -6.340 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 68 185.061 -6.820 -2.387 1.00 0.00 H new ATOM 1007 N ARG A 69 186.165 -9.988 -0.877 1.00 0.00 N ATOM 1008 CA ARG A 69 187.497 -10.572 -1.019 1.00 0.00 C ATOM 1009 C ARG A 69 187.786 -10.969 -2.467 1.00 0.00 C ATOM 1010 O ARG A 69 188.634 -11.823 -2.726 1.00 0.00 O ATOM 1011 CB ARG A 69 187.639 -11.793 -0.110 1.00 0.00 C ATOM 1012 CG ARG A 69 186.498 -12.790 -0.246 1.00 0.00 C ATOM 1013 CD ARG A 69 185.604 -12.793 0.985 1.00 0.00 C ATOM 1014 NE ARG A 69 185.195 -14.144 1.362 1.00 0.00 N ATOM 1015 CZ ARG A 69 184.219 -14.818 0.759 1.00 0.00 C ATOM 1016 NH1 ARG A 69 183.550 -14.273 -0.250 1.00 0.00 N ATOM 1017 NH2 ARG A 69 183.910 -16.043 1.166 1.00 0.00 N ATOM 0 H ARG A 69 185.432 -10.663 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 69 188.222 -9.813 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 69 188.579 -12.296 -0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 69 187.697 -11.459 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 69 185.904 -12.545 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 69 186.904 -13.789 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 69 186.132 -12.329 1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 69 184.719 -12.187 0.792 1.00 0.00 H new ATOM 0 HE ARG A 69 185.686 -14.597 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 69 183.783 -13.332 -0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 69 182.803 -14.795 -0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 69 184.421 -16.467 1.941 1.00 0.00 H new ATOM 0 HH22 ARG A 69 183.162 -16.560 0.704 1.00 0.00 H new ATOM 1031 N ASN A 70 187.076 -10.352 -3.407 1.00 0.00 N ATOM 1032 CA ASN A 70 187.262 -10.650 -4.823 1.00 0.00 C ATOM 1033 C ASN A 70 187.432 -9.370 -5.634 1.00 0.00 C ATOM 1034 O ASN A 70 187.121 -9.333 -6.825 1.00 0.00 O ATOM 1035 CB ASN A 70 186.072 -11.454 -5.355 1.00 0.00 C ATOM 1036 CG ASN A 70 186.425 -12.905 -5.618 1.00 0.00 C ATOM 1037 OD1 ASN A 70 187.232 -13.498 -4.905 1.00 0.00 O ATOM 1038 ND2 ASN A 70 185.818 -13.483 -6.648 1.00 0.00 N ATOM 0 H ASN A 70 186.368 -9.644 -3.214 1.00 0.00 H new ATOM 0 HA ASN A 70 188.170 -11.244 -4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.254 -11.407 -4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 70 185.712 -10.998 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 70 186.015 -14.458 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 70 185.155 -12.952 -7.213 1.00 0.00 H new ATOM 1045 N ALA A 71 187.929 -8.323 -4.985 1.00 0.00 N ATOM 1046 CA ALA A 71 188.141 -7.044 -5.650 1.00 0.00 C ATOM 1047 C ALA A 71 189.624 -6.805 -5.908 1.00 0.00 C ATOM 1048 O ALA A 71 190.363 -6.402 -5.011 1.00 0.00 O ATOM 1049 CB ALA A 71 187.558 -5.912 -4.818 1.00 0.00 C ATOM 0 H ALA A 71 188.192 -8.335 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 71 187.629 -7.071 -6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.724 -4.963 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.488 -6.071 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.044 -5.890 -3.843 1.00 0.00 H new ATOM 1055 N LYS A 72 190.053 -7.056 -7.140 1.00 0.00 N ATOM 1056 CA LYS A 72 191.450 -6.868 -7.513 1.00 0.00 C ATOM 1057 C LYS A 72 191.781 -5.385 -7.638 1.00 0.00 C ATOM 1058 O LYS A 72 191.902 -4.856 -8.744 1.00 0.00 O ATOM 1059 CB LYS A 72 191.752 -7.585 -8.830 1.00 0.00 C ATOM 1060 CG LYS A 72 193.237 -7.671 -9.147 1.00 0.00 C ATOM 1061 CD LYS A 72 193.497 -7.556 -10.641 1.00 0.00 C ATOM 1062 CE LYS A 72 193.861 -8.903 -11.249 1.00 0.00 C ATOM 1063 NZ LYS A 72 195.333 -9.058 -11.421 1.00 0.00 N ATOM 0 H LYS A 72 189.455 -7.389 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 72 192.072 -7.297 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 72 191.338 -8.593 -8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 72 191.245 -7.065 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 72 193.768 -6.877 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 72 193.634 -8.617 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 72 192.611 -7.160 -11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 72 194.305 -6.846 -10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 72 193.484 -9.702 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 72 193.370 -9.009 -12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 195.538 -9.989 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 195.690 -8.311 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 195.801 -8.983 -10.495 1.00 0.00 H new ATOM 1077 N LEU A 73 191.927 -4.721 -6.498 1.00 0.00 N ATOM 1078 CA LEU A 73 192.245 -3.298 -6.477 1.00 0.00 C ATOM 1079 C LEU A 73 193.751 -3.079 -6.558 1.00 0.00 C ATOM 1080 O LEU A 73 194.535 -3.999 -6.328 1.00 0.00 O ATOM 1081 CB LEU A 73 191.692 -2.650 -5.208 1.00 0.00 C ATOM 1082 CG LEU A 73 190.286 -3.101 -4.811 1.00 0.00 C ATOM 1083 CD1 LEU A 73 190.069 -2.919 -3.317 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.238 -2.332 -5.602 1.00 0.00 C ATOM 0 H LEU A 73 191.830 -5.145 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 73 191.780 -2.833 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.372 -2.864 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.685 -1.569 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 73 190.185 -4.161 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 73 189.063 -3.245 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.799 -3.514 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.189 -1.867 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.243 -2.665 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.339 -1.266 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.381 -2.513 -6.667 1.00 0.00 H new ATOM 1096 N LYS A 74 194.148 -1.855 -6.887 1.00 0.00 N ATOM 1097 CA LYS A 74 195.561 -1.520 -6.996 1.00 0.00 C ATOM 1098 C LYS A 74 195.835 -0.120 -6.456 1.00 0.00 C ATOM 1099 O LYS A 74 194.987 0.768 -6.541 1.00 0.00 O ATOM 1100 CB LYS A 74 196.022 -1.617 -8.452 1.00 0.00 C ATOM 1101 CG LYS A 74 196.248 -3.044 -8.924 1.00 0.00 C ATOM 1102 CD LYS A 74 196.128 -3.156 -10.436 1.00 0.00 C ATOM 1103 CE LYS A 74 197.485 -3.053 -11.115 1.00 0.00 C ATOM 1104 NZ LYS A 74 197.773 -4.241 -11.965 1.00 0.00 N ATOM 0 H LYS A 74 193.513 -1.081 -7.082 1.00 0.00 H new ATOM 0 HA LYS A 74 196.123 -2.236 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 74 195.277 -1.145 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 74 196.947 -1.053 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 74 197.236 -3.380 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 74 195.522 -3.704 -8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 74 195.662 -4.107 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 74 195.473 -2.368 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 74 197.517 -2.152 -11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 74 198.263 -2.951 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 198.707 -4.132 -12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 197.768 -5.098 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 197.045 -4.324 -12.704 1.00 0.00 H new ATOM 1118 N LEU A 75 197.025 0.063 -5.898 1.00 0.00 N ATOM 1119 CA LEU A 75 197.423 1.348 -5.335 1.00 0.00 C ATOM 1120 C LEU A 75 197.301 2.465 -6.366 1.00 0.00 C ATOM 1121 O LEU A 75 197.590 2.272 -7.547 1.00 0.00 O ATOM 1122 CB LEU A 75 198.862 1.268 -4.817 1.00 0.00 C ATOM 1123 CG LEU A 75 199.035 1.560 -3.323 1.00 0.00 C ATOM 1124 CD1 LEU A 75 199.635 0.359 -2.607 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.905 2.791 -3.120 1.00 0.00 C ATOM 0 H LEU A 75 197.735 -0.666 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 75 196.752 1.578 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.250 0.271 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.474 1.971 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 75 198.052 1.757 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 75 199.750 0.587 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 75 198.976 -0.501 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 75 200.610 0.129 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 75 200.018 2.985 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.886 2.621 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 75 199.435 3.651 -3.597 1.00 0.00 H new ATOM 1137 N GLY A 76 196.870 3.636 -5.906 1.00 0.00 N ATOM 1138 CA GLY A 76 196.715 4.770 -6.795 1.00 0.00 C ATOM 1139 C GLY A 76 195.298 4.914 -7.304 1.00 0.00 C ATOM 1140 O GLY A 76 194.826 6.025 -7.545 1.00 0.00 O ATOM 0 H GLY A 76 196.626 3.818 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.004 5.681 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.393 4.660 -7.641 1.00 0.00 H new ATOM 1144 N ASP A 77 194.619 3.786 -7.473 1.00 0.00 N ATOM 1145 CA ASP A 77 193.252 3.782 -7.963 1.00 0.00 C ATOM 1146 C ASP A 77 192.332 4.571 -7.035 1.00 0.00 C ATOM 1147 O ASP A 77 192.573 4.659 -5.829 1.00 0.00 O ATOM 1148 CB ASP A 77 192.745 2.346 -8.109 1.00 0.00 C ATOM 1149 CG ASP A 77 191.467 2.264 -8.920 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.450 2.846 -8.487 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.482 1.618 -9.989 1.00 0.00 O ATOM 0 H ASP A 77 194.998 2.860 -7.276 1.00 0.00 H new ATOM 0 HA ASP A 77 193.244 4.264 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.514 1.739 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.572 1.922 -7.120 1.00 0.00 H new ATOM 1156 N LYS A 78 191.276 5.138 -7.607 1.00 0.00 N ATOM 1157 CA LYS A 78 190.310 5.916 -6.841 1.00 0.00 C ATOM 1158 C LYS A 78 188.948 5.228 -6.842 1.00 0.00 C ATOM 1159 O LYS A 78 188.628 4.462 -7.751 1.00 0.00 O ATOM 1160 CB LYS A 78 190.182 7.325 -7.423 1.00 0.00 C ATOM 1161 CG LYS A 78 189.448 8.294 -6.513 1.00 0.00 C ATOM 1162 CD LYS A 78 190.263 8.618 -5.272 1.00 0.00 C ATOM 1163 CE LYS A 78 191.525 9.390 -5.619 1.00 0.00 C ATOM 1164 NZ LYS A 78 191.873 10.388 -4.571 1.00 0.00 N ATOM 0 H LYS A 78 191.067 5.073 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 78 190.666 5.988 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.178 7.716 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.659 7.269 -8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 78 189.231 9.213 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 78 188.490 7.864 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 78 189.657 9.202 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 78 190.530 7.694 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 78 192.353 8.693 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 78 191.388 9.899 -6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 192.740 10.893 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 191.094 11.069 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 192.029 9.901 -3.666 1.00 0.00 H new ATOM 1178 N ILE A 79 188.155 5.498 -5.812 1.00 0.00 N ATOM 1179 CA ILE A 79 186.831 4.897 -5.686 1.00 0.00 C ATOM 1180 C ILE A 79 185.714 5.916 -5.912 1.00 0.00 C ATOM 1181 O ILE A 79 185.837 7.083 -5.543 1.00 0.00 O ATOM 1182 CB ILE A 79 186.652 4.187 -4.323 1.00 0.00 C ATOM 1183 CG1 ILE A 79 186.886 2.685 -4.492 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.267 4.442 -3.737 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.319 2.331 -4.825 1.00 0.00 C ATOM 0 H ILE A 79 188.405 6.129 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 79 186.757 4.145 -6.471 1.00 0.00 H new ATOM 0 HB ILE A 79 187.385 4.595 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.598 2.175 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.235 2.310 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.177 3.928 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.126 5.513 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.507 4.068 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.412 1.250 -4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 79 188.605 2.813 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 79 188.974 2.675 -4.025 1.00 0.00 H new ATOM 1197 N TYR A 80 184.615 5.447 -6.492 1.00 0.00 N ATOM 1198 CA TYR A 80 183.444 6.281 -6.745 1.00 0.00 C ATOM 1199 C TYR A 80 182.189 5.441 -6.550 1.00 0.00 C ATOM 1200 O TYR A 80 182.042 4.396 -7.183 1.00 0.00 O ATOM 1201 CB TYR A 80 183.488 6.856 -8.162 1.00 0.00 C ATOM 1202 CG TYR A 80 184.627 7.826 -8.384 1.00 0.00 C ATOM 1203 CD1 TYR A 80 184.504 9.163 -8.032 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.826 7.401 -8.944 1.00 0.00 C ATOM 1205 CE1 TYR A 80 185.544 10.052 -8.231 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.870 8.284 -9.147 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.724 9.607 -8.788 1.00 0.00 C ATOM 1208 OH TYR A 80 187.761 10.489 -8.989 1.00 0.00 O ATOM 0 H TYR A 80 184.510 4.480 -6.800 1.00 0.00 H new ATOM 0 HA TYR A 80 183.436 7.117 -6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.575 6.037 -8.876 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.545 7.361 -8.370 1.00 0.00 H new ATOM 0 HD1 TYR A 80 183.581 9.515 -7.596 1.00 0.00 H new ATOM 0 HD2 TYR A 80 185.944 6.365 -9.225 1.00 0.00 H new ATOM 0 HE1 TYR A 80 185.433 11.089 -7.952 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.795 7.939 -9.585 1.00 0.00 H new ATOM 0 HH TYR A 80 188.520 10.016 -9.389 1.00 0.00 H new ATOM 1218 N PHE A 81 181.296 5.859 -5.650 1.00 0.00 N ATOM 1219 CA PHE A 81 180.098 5.065 -5.393 1.00 0.00 C ATOM 1220 C PHE A 81 178.953 5.860 -4.791 1.00 0.00 C ATOM 1221 O PHE A 81 179.023 7.075 -4.605 1.00 0.00 O ATOM 1222 CB PHE A 81 180.433 3.928 -4.427 1.00 0.00 C ATOM 1223 CG PHE A 81 181.100 4.395 -3.164 1.00 0.00 C ATOM 1224 CD1 PHE A 81 182.351 4.991 -3.195 1.00 0.00 C ATOM 1225 CD2 PHE A 81 180.463 4.248 -1.942 1.00 0.00 C ATOM 1226 CE1 PHE A 81 182.952 5.432 -2.032 1.00 0.00 C ATOM 1227 CE2 PHE A 81 181.061 4.684 -0.776 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.307 5.277 -0.821 1.00 0.00 C ATOM 0 H PHE A 81 181.376 6.716 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 81 179.772 4.696 -6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.516 3.397 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.084 3.214 -4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 81 182.862 5.112 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 81 179.487 3.787 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 81 183.926 5.898 -2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 81 180.555 4.561 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 81 182.776 5.619 0.090 1.00 0.00 H new ATOM 1238 N TRP A 82 177.908 5.110 -4.462 1.00 0.00 N ATOM 1239 CA TRP A 82 176.706 5.641 -3.834 1.00 0.00 C ATOM 1240 C TRP A 82 176.026 4.524 -3.051 1.00 0.00 C ATOM 1241 O TRP A 82 175.848 3.421 -3.567 1.00 0.00 O ATOM 1242 CB TRP A 82 175.748 6.233 -4.874 1.00 0.00 C ATOM 1243 CG TRP A 82 175.234 5.239 -5.868 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.814 4.894 -7.053 1.00 0.00 C ATOM 1245 CD2 TRP A 82 174.026 4.474 -5.774 1.00 0.00 C ATOM 1246 NE1 TRP A 82 175.045 3.961 -7.701 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.942 3.684 -6.936 1.00 0.00 C ATOM 1248 CE3 TRP A 82 173.010 4.378 -4.820 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.882 2.811 -7.169 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.957 3.511 -5.052 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.900 2.738 -6.218 1.00 0.00 C ATOM 0 H TRP A 82 177.872 4.104 -4.626 1.00 0.00 H new ATOM 0 HA TRP A 82 176.985 6.449 -3.157 1.00 0.00 H new ATOM 0 HB2 TRP A 82 174.901 6.684 -4.357 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.259 7.034 -5.408 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.744 5.297 -7.427 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.259 3.541 -8.606 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.046 4.970 -3.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.836 2.213 -8.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 171.166 3.429 -4.321 1.00 0.00 H new ATOM 0 HH2 TRP A 82 171.065 2.071 -6.370 1.00 0.00 H new ATOM 1262 N THR A 83 175.662 4.797 -1.804 1.00 0.00 N ATOM 1263 CA THR A 83 175.022 3.780 -0.972 1.00 0.00 C ATOM 1264 C THR A 83 173.568 4.124 -0.730 1.00 0.00 C ATOM 1265 O THR A 83 173.204 5.287 -0.742 1.00 0.00 O ATOM 1266 CB THR A 83 175.752 3.641 0.365 1.00 0.00 C ATOM 1267 OG1 THR A 83 175.772 4.875 1.058 1.00 0.00 O ATOM 1268 CG2 THR A 83 177.184 3.171 0.219 1.00 0.00 C ATOM 0 H THR A 83 175.796 5.700 -1.349 1.00 0.00 H new ATOM 0 HA THR A 83 175.074 2.829 -1.503 1.00 0.00 H new ATOM 0 HB THR A 83 175.194 2.887 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.242 4.764 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.644 3.094 1.204 1.00 0.00 H new ATOM 0 HG22 THR A 83 177.199 2.195 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.742 3.886 -0.386 1.00 0.00 H new ATOM 1276 N TYR A 84 172.739 3.107 -0.520 1.00 0.00 N ATOM 1277 CA TYR A 84 171.318 3.323 -0.287 1.00 0.00 C ATOM 1278 C TYR A 84 170.813 2.461 0.867 1.00 0.00 C ATOM 1279 O TYR A 84 171.042 1.255 0.895 1.00 0.00 O ATOM 1280 CB TYR A 84 170.536 3.002 -1.560 1.00 0.00 C ATOM 1281 CG TYR A 84 169.051 3.265 -1.455 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.575 4.455 -0.920 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.127 2.326 -1.894 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.218 4.701 -0.826 1.00 0.00 C ATOM 1285 CE2 TYR A 84 166.769 2.565 -1.803 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.320 3.755 -1.268 1.00 0.00 C ATOM 1287 OH TYR A 84 164.969 3.996 -1.176 1.00 0.00 O ATOM 0 H TYR A 84 173.027 2.128 -0.507 1.00 0.00 H new ATOM 0 HA TYR A 84 171.167 4.369 -0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 84 170.942 3.593 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 84 170.691 1.954 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.276 5.200 -0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 84 168.475 1.394 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.863 5.631 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.063 1.824 -2.149 1.00 0.00 H new ATOM 0 HH TYR A 84 164.475 3.229 -1.533 1.00 0.00 H new ATOM 1297 N VAL A 85 170.123 3.084 1.815 1.00 0.00 N ATOM 1298 CA VAL A 85 169.587 2.361 2.963 1.00 0.00 C ATOM 1299 C VAL A 85 168.058 2.363 2.927 1.00 0.00 C ATOM 1300 O VAL A 85 167.453 3.155 2.210 1.00 0.00 O ATOM 1301 CB VAL A 85 170.094 2.953 4.315 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.911 4.215 4.089 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.952 3.242 5.283 1.00 0.00 C ATOM 0 H VAL A 85 169.922 4.084 1.812 1.00 0.00 H new ATOM 0 HA VAL A 85 169.947 1.334 2.898 1.00 0.00 H new ATOM 0 HB VAL A 85 170.731 2.193 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.251 4.605 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.774 3.983 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.294 4.963 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.355 3.652 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.268 3.962 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.415 2.318 5.499 1.00 0.00 H new ATOM 1313 N ILE A 86 167.444 1.480 3.712 1.00 0.00 N ATOM 1314 CA ILE A 86 165.987 1.393 3.779 1.00 0.00 C ATOM 1315 C ILE A 86 165.521 1.222 5.212 1.00 0.00 C ATOM 1316 O ILE A 86 165.675 0.152 5.793 1.00 0.00 O ATOM 1317 CB ILE A 86 165.431 0.218 2.959 1.00 0.00 C ATOM 1318 CG1 ILE A 86 165.993 0.246 1.548 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.909 0.259 2.930 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.530 1.423 0.730 1.00 0.00 C ATOM 0 H ILE A 86 167.933 0.815 4.311 1.00 0.00 H new ATOM 0 HA ILE A 86 165.612 2.327 3.361 1.00 0.00 H new ATOM 0 HB ILE A 86 165.739 -0.713 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.082 0.259 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.710 -0.674 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.533 -0.581 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.524 0.193 3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.579 1.194 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 86 165.974 1.372 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.444 1.401 0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.837 2.348 1.218 1.00 0.00 H new ATOM 1332 N LYS A 87 164.944 2.278 5.767 1.00 0.00 N ATOM 1333 CA LYS A 87 164.439 2.251 7.133 1.00 0.00 C ATOM 1334 C LYS A 87 162.928 2.039 7.140 1.00 0.00 C ATOM 1335 O LYS A 87 162.176 2.849 7.684 1.00 0.00 O ATOM 1336 CB LYS A 87 164.790 3.556 7.852 1.00 0.00 C ATOM 1337 CG LYS A 87 164.822 3.426 9.366 1.00 0.00 C ATOM 1338 CD LYS A 87 164.293 4.679 10.044 1.00 0.00 C ATOM 1339 CE LYS A 87 163.696 4.365 11.407 1.00 0.00 C ATOM 1340 NZ LYS A 87 162.523 5.231 11.712 1.00 0.00 N ATOM 0 H LYS A 87 164.813 3.170 5.289 1.00 0.00 H new ATOM 0 HA LYS A 87 164.909 1.420 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.763 3.902 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.063 4.320 7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 87 164.225 2.566 9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.844 3.237 9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 87 165.101 5.402 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 87 163.536 5.144 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 87 163.393 3.319 11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 87 164.456 4.499 12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 162.145 4.986 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 162.817 6.228 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 161.787 5.084 10.992 1.00 0.00 H new ATOM 1354 N ASP A 88 162.488 0.943 6.526 1.00 0.00 N ATOM 1355 CA ASP A 88 161.066 0.620 6.453 1.00 0.00 C ATOM 1356 C ASP A 88 160.333 1.605 5.546 1.00 0.00 C ATOM 1357 O ASP A 88 159.541 2.424 6.011 1.00 0.00 O ATOM 1358 CB ASP A 88 160.442 0.627 7.852 1.00 0.00 C ATOM 1359 CG ASP A 88 159.361 -0.424 8.008 1.00 0.00 C ATOM 1360 OD1 ASP A 88 159.475 -1.492 7.369 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.402 -0.181 8.770 1.00 0.00 O ATOM 0 H ASP A 88 163.097 0.263 6.071 1.00 0.00 H new ATOM 0 HA ASP A 88 160.967 -0.379 6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 88 161.221 0.456 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 88 160.020 1.611 8.054 1.00 0.00 H new ATOM 1366 N GLY A 89 160.607 1.519 4.247 1.00 0.00 N ATOM 1367 CA GLY A 89 159.970 2.409 3.294 1.00 0.00 C ATOM 1368 C GLY A 89 160.471 3.836 3.408 1.00 0.00 C ATOM 1369 O GLY A 89 159.768 4.779 3.047 1.00 0.00 O ATOM 0 H GLY A 89 161.259 0.849 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.151 2.043 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.891 2.392 3.451 1.00 0.00 H new ATOM 1373 N LEU A 90 161.692 3.992 3.913 1.00 0.00 N ATOM 1374 CA LEU A 90 162.295 5.312 4.079 1.00 0.00 C ATOM 1375 C LEU A 90 163.787 5.245 3.810 1.00 0.00 C ATOM 1376 O LEU A 90 164.603 5.276 4.731 1.00 0.00 O ATOM 1377 CB LEU A 90 162.039 5.835 5.490 1.00 0.00 C ATOM 1378 CG LEU A 90 160.651 5.514 6.030 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.578 5.783 7.525 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.603 6.320 5.282 1.00 0.00 C ATOM 0 H LEU A 90 162.285 3.219 4.215 1.00 0.00 H new ATOM 0 HA LEU A 90 161.840 5.996 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.785 5.413 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.178 6.916 5.496 1.00 0.00 H new ATOM 0 HG LEU A 90 160.451 4.454 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.578 5.547 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.309 5.161 8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.795 6.834 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.614 6.084 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.801 7.384 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.641 6.071 4.221 1.00 0.00 H new ATOM 1392 N GLY A 91 164.131 5.118 2.540 1.00 0.00 N ATOM 1393 CA GLY A 91 165.511 5.007 2.159 1.00 0.00 C ATOM 1394 C GLY A 91 166.200 6.332 1.893 1.00 0.00 C ATOM 1395 O GLY A 91 165.559 7.353 1.647 1.00 0.00 O ATOM 0 H GLY A 91 163.469 5.090 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.051 4.483 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.579 4.391 1.263 1.00 0.00 H new ATOM 1399 N TYR A 92 167.526 6.282 1.931 1.00 0.00 N ATOM 1400 CA TYR A 92 168.380 7.440 1.683 1.00 0.00 C ATOM 1401 C TYR A 92 169.709 6.947 1.130 1.00 0.00 C ATOM 1402 O TYR A 92 170.154 5.857 1.491 1.00 0.00 O ATOM 1403 CB TYR A 92 168.604 8.237 2.972 1.00 0.00 C ATOM 1404 CG TYR A 92 167.383 8.317 3.861 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.419 9.297 3.664 1.00 0.00 C ATOM 1406 CD2 TYR A 92 167.196 7.411 4.898 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.302 9.373 4.475 1.00 0.00 C ATOM 1408 CE2 TYR A 92 166.082 7.481 5.714 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.139 8.463 5.498 1.00 0.00 C ATOM 1410 OH TYR A 92 164.029 8.535 6.308 1.00 0.00 O ATOM 0 H TYR A 92 168.045 5.428 2.137 1.00 0.00 H new ATOM 0 HA TYR A 92 167.898 8.102 0.964 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.421 7.782 3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 92 168.920 9.248 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 92 166.544 10.012 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.933 6.640 5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.561 10.141 4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.951 6.770 6.516 1.00 0.00 H new ATOM 0 HH TYR A 92 164.066 7.821 6.978 1.00 0.00 H new ATOM 1420 N ARG A 93 170.345 7.710 0.243 1.00 0.00 N ATOM 1421 CA ARG A 93 171.603 7.261 -0.329 1.00 0.00 C ATOM 1422 C ARG A 93 172.733 8.252 -0.136 1.00 0.00 C ATOM 1423 O ARG A 93 172.527 9.466 -0.095 1.00 0.00 O ATOM 1424 CB ARG A 93 171.451 6.966 -1.820 1.00 0.00 C ATOM 1425 CG ARG A 93 171.049 8.182 -2.643 1.00 0.00 C ATOM 1426 CD ARG A 93 169.694 7.988 -3.305 1.00 0.00 C ATOM 1427 NE ARG A 93 168.602 8.488 -2.473 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.280 9.775 -2.367 1.00 0.00 C ATOM 1429 NH1 ARG A 93 168.963 10.695 -3.037 1.00 0.00 N ATOM 1430 NH2 ARG A 93 167.272 10.145 -1.589 1.00 0.00 N ATOM 0 H ARG A 93 170.017 8.618 -0.086 1.00 0.00 H new ATOM 0 HA ARG A 93 171.863 6.350 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.393 6.574 -2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.703 6.184 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 93 171.018 9.062 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.804 8.371 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 93 169.683 8.503 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.539 6.929 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 93 168.054 7.811 -1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 93 169.739 10.417 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 93 168.711 11.680 -2.952 1.00 0.00 H new ATOM 0 HH21 ARG A 93 166.743 9.443 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 93 167.026 11.131 -1.508 1.00 0.00 H new ATOM 1444 N GLN A 94 173.938 7.706 -0.059 1.00 0.00 N ATOM 1445 CA GLN A 94 175.140 8.499 0.084 1.00 0.00 C ATOM 1446 C GLN A 94 175.888 8.490 -1.237 1.00 0.00 C ATOM 1447 O GLN A 94 176.915 7.824 -1.381 1.00 0.00 O ATOM 1448 CB GLN A 94 176.024 7.943 1.202 1.00 0.00 C ATOM 1449 CG GLN A 94 177.178 8.858 1.576 1.00 0.00 C ATOM 1450 CD GLN A 94 178.401 8.092 2.042 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.334 6.891 2.301 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.528 8.786 2.151 1.00 0.00 N ATOM 0 H GLN A 94 174.105 6.700 -0.094 1.00 0.00 H new ATOM 0 HA GLN A 94 174.873 9.522 0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.410 7.766 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.423 6.977 0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.444 9.472 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 94 176.857 9.538 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.538 9.781 1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.383 8.324 2.460 1.00 0.00 H new ATOM 1461 N ASP A 95 175.338 9.204 -2.213 1.00 0.00 N ATOM 1462 CA ASP A 95 175.929 9.268 -3.542 1.00 0.00 C ATOM 1463 C ASP A 95 177.110 10.223 -3.580 1.00 0.00 C ATOM 1464 O ASP A 95 177.424 10.886 -2.590 1.00 0.00 O ATOM 1465 CB ASP A 95 174.883 9.704 -4.567 1.00 0.00 C ATOM 1466 CG ASP A 95 174.218 11.015 -4.194 1.00 0.00 C ATOM 1467 OD1 ASP A 95 173.321 11.000 -3.324 1.00 0.00 O ATOM 1468 OD2 ASP A 95 174.595 12.057 -4.771 1.00 0.00 O ATOM 0 H ASP A 95 174.481 9.748 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 95 176.288 8.270 -3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.356 9.805 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.123 8.928 -4.659 1.00 0.00 H new ATOM 1473 N ASN A 96 177.764 10.284 -4.733 1.00 0.00 N ATOM 1474 CA ASN A 96 178.916 11.152 -4.912 1.00 0.00 C ATOM 1475 C ASN A 96 180.035 10.771 -3.948 1.00 0.00 C ATOM 1476 O ASN A 96 180.952 11.556 -3.704 1.00 0.00 O ATOM 1477 CB ASN A 96 178.505 12.610 -4.703 1.00 0.00 C ATOM 1478 CG ASN A 96 179.658 13.578 -4.894 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.004 14.335 -3.988 1.00 0.00 O ATOM 1480 ND2 ASN A 96 180.259 13.556 -6.078 1.00 0.00 N ATOM 0 H ASN A 96 177.514 9.740 -5.559 1.00 0.00 H new ATOM 0 HA ASN A 96 179.290 11.031 -5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.706 12.861 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.100 12.728 -3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 96 181.041 14.184 -6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.939 12.911 -6.801 1.00 0.00 H new ATOM 1487 N GLY A 97 179.965 9.556 -3.405 1.00 0.00 N ATOM 1488 CA GLY A 97 180.986 9.105 -2.484 1.00 0.00 C ATOM 1489 C GLY A 97 182.292 8.821 -3.187 1.00 0.00 C ATOM 1490 O GLY A 97 182.329 8.668 -4.408 1.00 0.00 O ATOM 0 H GLY A 97 179.222 8.882 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.144 9.863 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.644 8.204 -1.975 1.00 0.00 H new ATOM 1494 N GLU A 98 183.365 8.756 -2.418 1.00 0.00 N ATOM 1495 CA GLU A 98 184.682 8.493 -2.981 1.00 0.00 C ATOM 1496 C GLU A 98 185.605 7.856 -1.946 1.00 0.00 C ATOM 1497 O GLU A 98 185.424 8.036 -0.742 1.00 0.00 O ATOM 1498 CB GLU A 98 185.299 9.796 -3.498 1.00 0.00 C ATOM 1499 CG GLU A 98 185.819 9.704 -4.923 1.00 0.00 C ATOM 1500 CD GLU A 98 186.210 11.055 -5.489 1.00 0.00 C ATOM 1501 OE1 GLU A 98 185.301 11.841 -5.830 1.00 0.00 O ATOM 1502 OE2 GLU A 98 187.425 11.327 -5.590 1.00 0.00 O ATOM 0 H GLU A 98 183.353 8.881 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 98 184.564 7.794 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 98 184.552 10.588 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 98 186.118 10.086 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 98 186.683 9.040 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 98 185.054 9.256 -5.557 1.00 0.00 H new ATOM 1509 N TRP A 99 186.604 7.124 -2.426 1.00 0.00 N ATOM 1510 CA TRP A 99 187.569 6.473 -1.548 1.00 0.00 C ATOM 1511 C TRP A 99 188.890 6.246 -2.284 1.00 0.00 C ATOM 1512 O TRP A 99 188.956 6.371 -3.507 1.00 0.00 O ATOM 1513 CB TRP A 99 187.010 5.156 -1.010 1.00 0.00 C ATOM 1514 CG TRP A 99 187.966 4.427 -0.122 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.372 4.793 1.130 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.647 3.209 -0.424 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.265 3.872 1.621 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.449 2.890 0.684 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.651 2.357 -1.529 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.250 1.753 0.715 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.444 1.230 -1.496 1.00 0.00 C ATOM 1522 CH2 TRP A 99 190.233 0.937 -0.381 1.00 0.00 C ATOM 0 H TRP A 99 186.767 6.966 -3.420 1.00 0.00 H new ATOM 0 HA TRP A 99 187.759 7.128 -0.698 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.093 5.358 -0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.742 4.514 -1.849 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.040 5.676 1.656 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.717 3.913 2.534 1.00 0.00 H new ATOM 0 HE3 TRP A 99 188.044 2.577 -2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.863 1.524 1.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 189.456 0.563 -2.345 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.843 0.046 -0.385 1.00 0.00 H new ATOM 1533 N THR A 100 189.946 5.946 -1.533 1.00 0.00 N ATOM 1534 CA THR A 100 191.270 5.743 -2.116 1.00 0.00 C ATOM 1535 C THR A 100 191.711 4.282 -2.094 1.00 0.00 C ATOM 1536 O THR A 100 191.226 3.480 -1.297 1.00 0.00 O ATOM 1537 CB THR A 100 192.294 6.578 -1.345 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.490 6.722 -2.091 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.662 5.982 0.006 1.00 0.00 C ATOM 0 H THR A 100 189.911 5.838 -0.519 1.00 0.00 H new ATOM 0 HA THR A 100 191.211 6.053 -3.159 1.00 0.00 H new ATOM 0 HB THR A 100 191.813 7.542 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.074 7.374 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.392 6.623 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.768 5.905 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 100 193.090 4.990 -0.138 1.00 0.00 H new ATOM 1547 N VAL A 101 192.674 3.965 -2.955 1.00 0.00 N ATOM 1548 CA VAL A 101 193.239 2.622 -3.027 1.00 0.00 C ATOM 1549 C VAL A 101 194.748 2.653 -2.773 1.00 0.00 C ATOM 1550 O VAL A 101 195.406 1.613 -2.772 1.00 0.00 O ATOM 1551 CB VAL A 101 192.986 1.963 -4.393 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.378 0.493 -4.346 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.528 2.123 -4.806 1.00 0.00 C ATOM 0 H VAL A 101 193.081 4.626 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 101 192.741 2.035 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 101 193.603 2.462 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.195 0.036 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.436 0.406 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.785 -0.018 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.370 1.650 -5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.885 1.651 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.284 3.183 -4.876 1.00 0.00 H new ATOM 1563 N THR A 102 195.289 3.854 -2.565 1.00 0.00 N ATOM 1564 CA THR A 102 196.718 4.029 -2.318 1.00 0.00 C ATOM 1565 C THR A 102 197.143 3.416 -0.984 1.00 0.00 C ATOM 1566 O THR A 102 198.335 3.311 -0.697 1.00 0.00 O ATOM 1567 CB THR A 102 197.073 5.517 -2.339 1.00 0.00 C ATOM 1568 OG1 THR A 102 196.078 6.262 -3.020 1.00 0.00 O ATOM 1569 CG2 THR A 102 198.399 5.808 -3.008 1.00 0.00 C ATOM 0 H THR A 102 194.755 4.723 -2.563 1.00 0.00 H new ATOM 0 HA THR A 102 197.256 3.510 -3.111 1.00 0.00 H new ATOM 0 HB THR A 102 197.140 5.811 -1.291 1.00 0.00 H new ATOM 0 HG1 THR A 102 195.309 6.397 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 102 198.589 6.881 -2.988 1.00 0.00 H new ATOM 0 HG22 THR A 102 199.196 5.289 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 102 198.368 5.464 -4.042 1.00 0.00 H new ATOM 1577 N GLU A 103 196.172 3.014 -0.170 1.00 0.00 N ATOM 1578 CA GLU A 103 196.469 2.418 1.126 1.00 0.00 C ATOM 1579 C GLU A 103 195.680 1.130 1.323 1.00 0.00 C ATOM 1580 O GLU A 103 194.582 0.978 0.793 1.00 0.00 O ATOM 1581 CB GLU A 103 196.151 3.404 2.251 1.00 0.00 C ATOM 1582 CG GLU A 103 194.692 3.831 2.290 1.00 0.00 C ATOM 1583 CD GLU A 103 194.214 4.138 3.696 1.00 0.00 C ATOM 1584 OE1 GLU A 103 194.210 3.215 4.537 1.00 0.00 O ATOM 1585 OE2 GLU A 103 193.844 5.303 3.955 1.00 0.00 O ATOM 0 H GLU A 103 195.178 3.090 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 103 197.532 2.180 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 103 196.414 2.950 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 103 196.777 4.289 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 103 194.558 4.713 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 103 194.074 3.041 1.864 1.00 0.00 H new ATOM 1592 N PHE A 104 196.245 0.208 2.096 1.00 0.00 N ATOM 1593 CA PHE A 104 195.590 -1.062 2.368 1.00 0.00 C ATOM 1594 C PHE A 104 195.570 -1.327 3.865 1.00 0.00 C ATOM 1595 O PHE A 104 196.520 -0.992 4.570 1.00 0.00 O ATOM 1596 CB PHE A 104 196.310 -2.203 1.642 1.00 0.00 C ATOM 1597 CG PHE A 104 196.156 -2.166 0.146 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.657 -1.105 -0.592 1.00 0.00 C ATOM 1599 CD2 PHE A 104 195.509 -3.193 -0.522 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.518 -1.071 -1.968 1.00 0.00 C ATOM 1601 CE2 PHE A 104 195.366 -3.165 -1.897 1.00 0.00 C ATOM 1602 CZ PHE A 104 195.872 -2.102 -2.621 1.00 0.00 C ATOM 0 H PHE A 104 197.155 0.319 2.544 1.00 0.00 H new ATOM 0 HA PHE A 104 194.565 -1.010 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.371 -2.166 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 104 195.929 -3.154 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.162 -0.295 -0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 104 195.111 -4.026 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 104 196.914 -0.239 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.860 -3.973 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.762 -2.078 -3.695 1.00 0.00 H new ATOM 1612 N VAL A 105 194.489 -1.924 4.352 1.00 0.00 N ATOM 1613 CA VAL A 105 194.370 -2.216 5.773 1.00 0.00 C ATOM 1614 C VAL A 105 194.731 -3.668 6.067 1.00 0.00 C ATOM 1615 O VAL A 105 194.770 -4.510 5.170 1.00 0.00 O ATOM 1616 CB VAL A 105 192.956 -1.908 6.312 1.00 0.00 C ATOM 1617 CG1 VAL A 105 192.547 -0.491 5.943 1.00 0.00 C ATOM 1618 CG2 VAL A 105 191.940 -2.914 5.788 1.00 0.00 C ATOM 0 H VAL A 105 193.689 -2.213 3.789 1.00 0.00 H new ATOM 0 HA VAL A 105 195.076 -1.563 6.287 1.00 0.00 H new ATOM 0 HB VAL A 105 192.980 -1.992 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 105 191.548 -0.288 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.254 0.216 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 105 192.545 -0.384 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 105 190.953 -2.674 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 105 191.915 -2.872 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.224 -3.917 6.106 1.00 0.00 H new ATOM 1628 N ASN A 106 195.005 -3.936 7.332 1.00 0.00 N ATOM 1629 CA ASN A 106 195.384 -5.265 7.785 1.00 0.00 C ATOM 1630 C ASN A 106 194.166 -6.108 8.097 1.00 0.00 C ATOM 1631 O ASN A 106 193.124 -5.591 8.496 1.00 0.00 O ATOM 1632 CB ASN A 106 196.259 -5.149 9.034 1.00 0.00 C ATOM 1633 CG ASN A 106 197.737 -5.246 8.721 1.00 0.00 C ATOM 1634 OD1 ASN A 106 198.183 -6.176 8.048 1.00 0.00 O ATOM 1635 ND2 ASN A 106 198.506 -4.281 9.210 1.00 0.00 N ATOM 0 H ASN A 106 194.971 -3.238 8.075 1.00 0.00 H new ATOM 0 HA ASN A 106 195.939 -5.752 6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 106 196.058 -4.198 9.527 1.00 0.00 H new ATOM 0 HB3 ASN A 106 195.988 -5.936 9.737 1.00 0.00 H new ATOM 0 HD21 ASN A 106 199.511 -4.290 9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 106 198.092 -3.530 9.763 1.00 0.00 H new ATOM 1642 N GLU A 107 194.318 -7.422 7.957 1.00 0.00 N ATOM 1643 CA GLU A 107 193.237 -8.338 8.278 1.00 0.00 C ATOM 1644 C GLU A 107 192.788 -8.083 9.712 1.00 0.00 C ATOM 1645 O GLU A 107 191.687 -8.463 10.114 1.00 0.00 O ATOM 1646 CB GLU A 107 193.691 -9.789 8.114 1.00 0.00 C ATOM 1647 CG GLU A 107 194.910 -10.143 8.948 1.00 0.00 C ATOM 1648 CD GLU A 107 194.850 -11.554 9.502 1.00 0.00 C ATOM 1649 OE1 GLU A 107 195.296 -12.487 8.800 1.00 0.00 O ATOM 1650 OE2 GLU A 107 194.355 -11.727 10.634 1.00 0.00 O ATOM 0 H GLU A 107 195.173 -7.870 7.626 1.00 0.00 H new ATOM 0 HA GLU A 107 192.405 -8.170 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 107 192.869 -10.451 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 107 193.914 -9.975 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 107 195.807 -10.034 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 107 194.998 -9.436 9.773 1.00 0.00 H new ATOM 1657 N ASP A 108 193.656 -7.409 10.472 1.00 0.00 N ATOM 1658 CA ASP A 108 193.363 -7.067 11.854 1.00 0.00 C ATOM 1659 C ASP A 108 192.283 -5.993 11.906 1.00 0.00 C ATOM 1660 O ASP A 108 191.481 -5.951 12.838 1.00 0.00 O ATOM 1661 CB ASP A 108 194.629 -6.579 12.563 1.00 0.00 C ATOM 1662 CG ASP A 108 194.857 -7.281 13.887 1.00 0.00 C ATOM 1663 OD1 ASP A 108 193.960 -7.218 14.755 1.00 0.00 O ATOM 1664 OD2 ASP A 108 195.932 -7.894 14.056 1.00 0.00 O ATOM 0 H ASP A 108 194.569 -7.091 10.146 1.00 0.00 H new ATOM 0 HA ASP A 108 193.001 -7.958 12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 108 195.491 -6.742 11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 108 194.556 -5.505 12.732 1.00 0.00 H new ATOM 1669 N GLY A 109 192.261 -5.132 10.888 1.00 0.00 N ATOM 1670 CA GLY A 109 191.263 -4.082 10.836 1.00 0.00 C ATOM 1671 C GLY A 109 191.855 -2.687 10.873 1.00 0.00 C ATOM 1672 O GLY A 109 191.151 -1.722 11.167 1.00 0.00 O ATOM 0 H GLY A 109 192.914 -5.145 10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 109 190.674 -4.195 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 109 190.578 -4.200 11.675 1.00 0.00 H new ATOM 1676 N THR A 110 193.141 -2.567 10.559 1.00 0.00 N ATOM 1677 CA THR A 110 193.787 -1.261 10.550 1.00 0.00 C ATOM 1678 C THR A 110 194.736 -1.122 9.375 1.00 0.00 C ATOM 1679 O THR A 110 195.203 -2.105 8.814 1.00 0.00 O ATOM 1680 CB THR A 110 194.526 -0.988 11.854 1.00 0.00 C ATOM 1681 OG1 THR A 110 195.801 -1.604 11.852 1.00 0.00 O ATOM 1682 CG2 THR A 110 193.782 -1.469 13.082 1.00 0.00 C ATOM 0 H THR A 110 193.749 -3.347 10.311 1.00 0.00 H new ATOM 0 HA THR A 110 192.995 -0.519 10.446 1.00 0.00 H new ATOM 0 HB THR A 110 194.614 0.097 11.908 1.00 0.00 H new ATOM 0 HG1 THR A 110 196.258 -1.414 12.698 1.00 0.00 H new ATOM 0 HG21 THR A 110 194.366 -1.242 13.974 1.00 0.00 H new ATOM 0 HG22 THR A 110 192.817 -0.966 13.143 1.00 0.00 H new ATOM 0 HG23 THR A 110 193.627 -2.546 13.015 1.00 0.00 H new ATOM 1690 N PRO A 111 195.021 0.122 8.992 1.00 0.00 N ATOM 1691 CA PRO A 111 195.905 0.426 7.866 1.00 0.00 C ATOM 1692 C PRO A 111 197.247 -0.288 7.951 1.00 0.00 C ATOM 1693 O PRO A 111 197.959 -0.185 8.949 1.00 0.00 O ATOM 1694 CB PRO A 111 196.090 1.942 7.957 1.00 0.00 C ATOM 1695 CG PRO A 111 194.879 2.432 8.678 1.00 0.00 C ATOM 1696 CD PRO A 111 194.493 1.335 9.632 1.00 0.00 C ATOM 0 HA PRO A 111 195.479 0.090 6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 111 197.002 2.197 8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 111 196.169 2.391 6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 111 195.091 3.358 9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 111 194.069 2.645 7.980 1.00 0.00 H new ATOM 0 HD2 PRO A 111 194.928 1.490 10.619 1.00 0.00 H new ATOM 0 HD3 PRO A 111 193.413 1.281 9.765 1.00 0.00 H new ATOM 1704 N ALA A 112 197.586 -1.005 6.884 1.00 0.00 N ATOM 1705 CA ALA A 112 198.843 -1.735 6.814 1.00 0.00 C ATOM 1706 C ALA A 112 199.738 -1.159 5.728 1.00 0.00 C ATOM 1707 O ALA A 112 200.371 -1.893 4.969 1.00 0.00 O ATOM 1708 CB ALA A 112 198.589 -3.215 6.572 1.00 0.00 C ATOM 0 H ALA A 112 197.002 -1.095 6.052 1.00 0.00 H new ATOM 0 HA ALA A 112 199.355 -1.628 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 112 199.541 -3.744 6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 112 197.991 -3.620 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 112 198.053 -3.343 5.631 1.00 0.00 H new ATOM 1714 N ASP A 113 199.784 0.164 5.668 1.00 0.00 N ATOM 1715 CA ASP A 113 200.599 0.862 4.679 1.00 0.00 C ATOM 1716 C ASP A 113 201.494 1.898 5.350 1.00 0.00 C ATOM 1717 O ASP A 113 201.044 2.992 5.694 1.00 0.00 O ATOM 1718 CB ASP A 113 199.705 1.539 3.638 1.00 0.00 C ATOM 1719 CG ASP A 113 200.462 1.903 2.376 1.00 0.00 C ATOM 1720 OD1 ASP A 113 200.994 0.987 1.715 1.00 0.00 O ATOM 1721 OD2 ASP A 113 200.521 3.107 2.047 1.00 0.00 O ATOM 0 H ASP A 113 199.265 0.779 6.294 1.00 0.00 H new ATOM 0 HA ASP A 113 201.232 0.128 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 113 198.879 0.874 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 113 199.268 2.440 4.069 1.00 0.00 H new ATOM 1726 N THR A 114 202.763 1.549 5.533 1.00 0.00 N ATOM 1727 CA THR A 114 203.722 2.449 6.163 1.00 0.00 C ATOM 1728 C THR A 114 204.822 2.847 5.185 1.00 0.00 C ATOM 1729 O THR A 114 206.003 2.865 5.535 1.00 0.00 O ATOM 1730 CB THR A 114 204.335 1.789 7.400 1.00 0.00 C ATOM 1731 OG1 THR A 114 205.311 2.632 7.986 1.00 0.00 O ATOM 1732 CG2 THR A 114 204.994 0.459 7.103 1.00 0.00 C ATOM 0 H THR A 114 203.152 0.648 5.254 1.00 0.00 H new ATOM 0 HA THR A 114 203.190 3.351 6.467 1.00 0.00 H new ATOM 0 HB THR A 114 203.501 1.619 8.081 1.00 0.00 H new ATOM 0 HG1 THR A 114 206.026 2.805 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 114 205.408 0.045 8.022 1.00 0.00 H new ATOM 0 HG22 THR A 114 204.255 -0.230 6.695 1.00 0.00 H new ATOM 0 HG23 THR A 114 205.794 0.604 6.377 1.00 0.00 H new ATOM 1740 N SER A 115 204.428 3.166 3.956 1.00 0.00 N ATOM 1741 CA SER A 115 205.381 3.564 2.927 1.00 0.00 C ATOM 1742 C SER A 115 206.384 2.447 2.652 1.00 0.00 C ATOM 1743 O SER A 115 207.595 2.656 2.713 1.00 0.00 O ATOM 1744 CB SER A 115 206.116 4.837 3.350 1.00 0.00 C ATOM 1745 OG SER A 115 205.261 5.966 3.286 1.00 0.00 O ATOM 0 H SER A 115 203.455 3.156 3.649 1.00 0.00 H new ATOM 0 HA SER A 115 204.827 3.762 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 115 206.495 4.721 4.365 1.00 0.00 H new ATOM 0 HB3 SER A 115 206.979 4.994 2.703 1.00 0.00 H new ATOM 0 HG SER A 115 205.754 6.766 3.563 1.00 0.00 H new ATOM 1751 N LEU A 116 205.870 1.259 2.346 1.00 0.00 N ATOM 1752 CA LEU A 116 206.720 0.110 2.061 1.00 0.00 C ATOM 1753 C LEU A 116 206.172 -0.693 0.885 1.00 0.00 C ATOM 1754 O LEU A 116 205.524 -1.723 1.069 1.00 0.00 O ATOM 1755 CB LEU A 116 206.835 -0.786 3.297 1.00 0.00 C ATOM 1756 CG LEU A 116 208.035 -0.489 4.201 1.00 0.00 C ATOM 1757 CD1 LEU A 116 207.572 -0.069 5.588 1.00 0.00 C ATOM 1758 CD2 LEU A 116 208.952 -1.701 4.290 1.00 0.00 C ATOM 0 H LEU A 116 204.870 1.068 2.289 1.00 0.00 H new ATOM 0 HA LEU A 116 207.711 0.479 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 116 205.923 -0.687 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 116 206.893 -1.824 2.971 1.00 0.00 H new ATOM 0 HG LEU A 116 208.596 0.336 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 116 208.440 0.137 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 116 206.959 0.829 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 116 206.985 -0.872 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 116 209.799 -1.470 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 116 208.400 -2.545 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 116 209.315 -1.956 3.294 1.00 0.00 H new ATOM 1770 N GLU A 117 206.438 -0.213 -0.327 1.00 0.00 N ATOM 1771 CA GLU A 117 205.972 -0.884 -1.534 1.00 0.00 C ATOM 1772 C GLU A 117 206.974 -1.947 -1.987 1.00 0.00 C ATOM 1773 O GLU A 117 208.084 -1.621 -2.407 1.00 0.00 O ATOM 1774 CB GLU A 117 205.754 0.136 -2.654 1.00 0.00 C ATOM 1775 CG GLU A 117 204.556 -0.177 -3.535 1.00 0.00 C ATOM 1776 CD GLU A 117 203.956 1.064 -4.166 1.00 0.00 C ATOM 1777 OE1 GLU A 117 203.785 2.071 -3.446 1.00 0.00 O ATOM 1778 OE2 GLU A 117 203.658 1.030 -5.379 1.00 0.00 O ATOM 0 H GLU A 117 206.974 0.638 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 117 205.026 -1.375 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 117 205.623 1.124 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 117 206.649 0.180 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 117 204.858 -0.869 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 117 203.795 -0.682 -2.941 1.00 0.00 H new ATOM 1785 N PRO A 118 206.596 -3.237 -1.910 1.00 0.00 N ATOM 1786 CA PRO A 118 207.474 -4.339 -2.318 1.00 0.00 C ATOM 1787 C PRO A 118 208.031 -4.146 -3.724 1.00 0.00 C ATOM 1788 O PRO A 118 209.259 -4.295 -3.899 1.00 0.00 O ATOM 1789 CB PRO A 118 206.556 -5.563 -2.270 1.00 0.00 C ATOM 1790 CG PRO A 118 205.499 -5.205 -1.285 1.00 0.00 C ATOM 1791 CD PRO A 118 205.290 -3.723 -1.423 1.00 0.00 C ATOM 0 HA PRO A 118 208.350 -4.421 -1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 118 206.128 -5.776 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 118 207.101 -6.455 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 118 204.577 -5.750 -1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 118 205.806 -5.463 -0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 118 204.489 -3.494 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 118 205.020 -3.265 -0.471 1.00 0.00 H new TER 1799 PRO A 118