USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 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 161:sc= 0.919 USER MOD Set 1.2: A 102 THR OG1 : rot 67:sc= 0.243 USER MOD Set 2.1: A 18 TYR OH : rot 109:sc= 0.345 USER MOD Set 2.2: A 114 THR OG1 : rot -97:sc= 1.72 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= 0.0497 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.116 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : +bothHN:sc= -9.35! C(o=-9.3!,f=-14!) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 0.0551 (180deg=0.0208) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl 159:sc= -0.43 (180deg=-1.18) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 73:sc= 0.436 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.642 USER MOD Single : A 70 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.041) 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 83 THR OG1 : rot 180:sc= -2.02! USER MOD Single : A 84 TYR OH : rot -178:sc= -0.8 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.121 USER MOD Single : A 94 GLN : amide:sc= -0.807 K(o=-0.81,f=-4.4!) USER MOD Single : A 96 ASN : amide:sc= -0.839! C(o=-0.84!,f=-0.89!) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.807 F(o=-1.8,f=-0.81) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 162.198 12.408 7.219 1.00 0.00 N ATOM 2 CA GLN A 6 163.120 12.105 6.092 1.00 0.00 C ATOM 3 C GLN A 6 164.572 12.078 6.562 1.00 0.00 C ATOM 4 O GLN A 6 165.285 13.077 6.465 1.00 0.00 O ATOM 5 CB GLN A 6 162.934 13.171 5.010 1.00 0.00 C ATOM 6 CG GLN A 6 161.889 12.805 3.968 1.00 0.00 C ATOM 7 CD GLN A 6 162.334 13.125 2.555 1.00 0.00 C ATOM 8 OE1 GLN A 6 162.480 14.291 2.186 1.00 0.00 O ATOM 9 NE2 GLN A 6 162.552 12.089 1.753 1.00 0.00 N ATOM 0 HA GLN A 6 162.886 11.119 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 6 162.650 14.111 5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 6 163.888 13.341 4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 6 161.666 11.741 4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 6 160.964 13.340 4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 6 162.419 11.139 2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 6 162.853 12.243 0.791 1.00 0.00 H new ATOM 18 N TYR A 7 165.002 10.927 7.069 1.00 0.00 N ATOM 19 CA TYR A 7 166.367 10.768 7.554 1.00 0.00 C ATOM 20 C TYR A 7 167.365 10.865 6.409 1.00 0.00 C ATOM 21 O TYR A 7 166.983 10.980 5.244 1.00 0.00 O ATOM 22 CB TYR A 7 166.522 9.426 8.274 1.00 0.00 C ATOM 23 CG TYR A 7 167.855 9.232 8.963 1.00 0.00 C ATOM 24 CD1 TYR A 7 168.253 10.071 9.997 1.00 0.00 C ATOM 25 CD2 TYR A 7 168.712 8.209 8.582 1.00 0.00 C ATOM 26 CE1 TYR A 7 169.468 9.896 10.630 1.00 0.00 C ATOM 27 CE2 TYR A 7 169.929 8.027 9.210 1.00 0.00 C ATOM 28 CZ TYR A 7 170.303 8.872 10.234 1.00 0.00 C ATOM 29 OH TYR A 7 171.513 8.694 10.862 1.00 0.00 O ATOM 0 H TYR A 7 164.424 10.091 7.154 1.00 0.00 H new ATOM 0 HA TYR A 7 166.573 11.574 8.258 1.00 0.00 H new ATOM 0 HB2 TYR A 7 165.728 9.332 9.015 1.00 0.00 H new ATOM 0 HB3 TYR A 7 166.381 8.622 7.551 1.00 0.00 H new ATOM 0 HD1 TYR A 7 167.601 10.873 10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 7 168.423 7.544 7.781 1.00 0.00 H new ATOM 0 HE1 TYR A 7 169.763 10.558 11.431 1.00 0.00 H new ATOM 0 HE2 TYR A 7 170.585 7.227 8.900 1.00 0.00 H new ATOM 0 HH TYR A 7 171.979 7.929 10.464 1.00 0.00 H new ATOM 39 N VAL A 8 168.642 10.824 6.754 1.00 0.00 N ATOM 40 CA VAL A 8 169.707 10.912 5.764 1.00 0.00 C ATOM 41 C VAL A 8 170.525 9.626 5.709 1.00 0.00 C ATOM 42 O VAL A 8 170.532 8.839 6.655 1.00 0.00 O ATOM 43 CB VAL A 8 170.652 12.088 6.064 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.608 12.313 4.904 1.00 0.00 C ATOM 45 CG2 VAL A 8 169.859 13.351 6.363 1.00 0.00 C ATOM 0 H VAL A 8 168.969 10.730 7.716 1.00 0.00 H new ATOM 0 HA VAL A 8 169.224 11.072 4.800 1.00 0.00 H new ATOM 0 HB VAL A 8 171.240 11.840 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.269 13.149 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.203 11.414 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 8 171.039 12.538 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.546 14.171 6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.242 13.606 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.220 13.183 7.230 1.00 0.00 H new ATOM 55 N VAL A 9 171.217 9.424 4.593 1.00 0.00 N ATOM 56 CA VAL A 9 172.046 8.238 4.405 1.00 0.00 C ATOM 57 C VAL A 9 173.314 8.315 5.256 1.00 0.00 C ATOM 58 O VAL A 9 173.937 9.372 5.360 1.00 0.00 O ATOM 59 CB VAL A 9 172.439 8.068 2.924 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.179 9.299 2.420 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.278 6.812 2.725 1.00 0.00 C ATOM 0 H VAL A 9 171.220 10.068 3.802 1.00 0.00 H new ATOM 0 HA VAL A 9 171.456 7.377 4.720 1.00 0.00 H new ATOM 0 HB VAL A 9 171.525 7.957 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.447 9.159 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.537 10.174 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.084 9.447 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.543 6.714 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.187 6.883 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.706 5.939 3.038 1.00 0.00 H new ATOM 71 N PRO A 10 173.717 7.192 5.880 1.00 0.00 N ATOM 72 CA PRO A 10 174.917 7.143 6.722 1.00 0.00 C ATOM 73 C PRO A 10 176.198 7.336 5.921 1.00 0.00 C ATOM 74 O PRO A 10 176.164 7.730 4.756 1.00 0.00 O ATOM 75 CB PRO A 10 174.882 5.738 7.324 1.00 0.00 C ATOM 76 CG PRO A 10 174.067 4.938 6.369 1.00 0.00 C ATOM 77 CD PRO A 10 173.038 5.884 5.817 1.00 0.00 C ATOM 0 HA PRO A 10 174.917 7.941 7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 10 175.886 5.327 7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 10 174.435 5.744 8.318 1.00 0.00 H new ATOM 0 HG2 PRO A 10 174.688 4.528 5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.593 4.094 6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 10 172.758 5.624 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.124 5.876 6.410 1.00 0.00 H new ATOM 85 N SER A 11 177.328 7.058 6.561 1.00 0.00 N ATOM 86 CA SER A 11 178.625 7.201 5.921 1.00 0.00 C ATOM 87 C SER A 11 179.262 5.844 5.648 1.00 0.00 C ATOM 88 O SER A 11 179.593 5.104 6.575 1.00 0.00 O ATOM 89 CB SER A 11 179.547 8.043 6.798 1.00 0.00 C ATOM 90 OG SER A 11 180.636 8.561 6.054 1.00 0.00 O ATOM 0 H SER A 11 177.369 6.731 7.526 1.00 0.00 H new ATOM 0 HA SER A 11 178.476 7.701 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 11 178.982 8.864 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 11 179.923 7.436 7.622 1.00 0.00 H new ATOM 0 HG SER A 11 181.208 9.097 6.642 1.00 0.00 H new ATOM 96 N ALA A 12 179.431 5.524 4.369 1.00 0.00 N ATOM 97 CA ALA A 12 180.028 4.256 3.976 1.00 0.00 C ATOM 98 C ALA A 12 181.550 4.323 4.009 1.00 0.00 C ATOM 99 O ALA A 12 182.176 4.904 3.124 1.00 0.00 O ATOM 100 CB ALA A 12 179.546 3.852 2.591 1.00 0.00 C ATOM 0 H ALA A 12 179.163 6.125 3.590 1.00 0.00 H new ATOM 0 HA ALA A 12 179.712 3.501 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.001 2.902 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.461 3.747 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 12 179.830 4.618 1.869 1.00 0.00 H new ATOM 106 N LYS A 13 182.138 3.710 5.033 1.00 0.00 N ATOM 107 CA LYS A 13 183.589 3.684 5.176 1.00 0.00 C ATOM 108 C LYS A 13 184.173 2.579 4.303 1.00 0.00 C ATOM 109 O LYS A 13 183.462 1.653 3.919 1.00 0.00 O ATOM 110 CB LYS A 13 183.977 3.466 6.641 1.00 0.00 C ATOM 111 CG LYS A 13 184.756 4.625 7.243 1.00 0.00 C ATOM 112 CD LYS A 13 186.025 4.148 7.931 1.00 0.00 C ATOM 113 CE LYS A 13 186.977 5.300 8.210 1.00 0.00 C ATOM 114 NZ LYS A 13 188.392 4.929 7.936 1.00 0.00 N ATOM 0 H LYS A 13 181.632 3.226 5.774 1.00 0.00 H new ATOM 0 HA LYS A 13 183.994 4.643 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.073 3.303 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.575 2.558 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.012 5.338 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 13 184.128 5.152 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 13 185.768 3.653 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 13 186.523 3.407 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 13 186.701 6.156 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 13 186.878 5.609 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 189.000 5.291 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 188.476 3.894 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 188.690 5.343 7.030 1.00 0.00 H new ATOM 128 N LEU A 14 185.458 2.677 3.980 1.00 0.00 N ATOM 129 CA LEU A 14 186.096 1.670 3.139 1.00 0.00 C ATOM 130 C LEU A 14 187.580 1.522 3.456 1.00 0.00 C ATOM 131 O LEU A 14 188.239 2.471 3.879 1.00 0.00 O ATOM 132 CB LEU A 14 185.923 2.019 1.657 1.00 0.00 C ATOM 133 CG LEU A 14 184.672 2.829 1.315 1.00 0.00 C ATOM 134 CD1 LEU A 14 184.847 4.282 1.732 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.367 2.730 -0.174 1.00 0.00 C ATOM 0 H LEU A 14 186.072 3.433 4.283 1.00 0.00 H new ATOM 0 HA LEU A 14 185.606 0.720 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.799 2.579 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 14 185.903 1.093 1.083 1.00 0.00 H new ATOM 0 HG LEU A 14 183.829 2.415 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 14 183.947 4.843 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 14 185.019 4.334 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 14 185.701 4.711 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.474 3.312 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 14 185.210 3.120 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.199 1.687 -0.442 1.00 0.00 H new ATOM 147 N GLU A 15 188.097 0.317 3.232 1.00 0.00 N ATOM 148 CA GLU A 15 189.503 0.018 3.469 1.00 0.00 C ATOM 149 C GLU A 15 190.002 -0.989 2.437 1.00 0.00 C ATOM 150 O GLU A 15 189.266 -1.896 2.045 1.00 0.00 O ATOM 151 CB GLU A 15 189.696 -0.536 4.883 1.00 0.00 C ATOM 152 CG GLU A 15 190.128 0.516 5.893 1.00 0.00 C ATOM 153 CD GLU A 15 189.204 0.589 7.094 1.00 0.00 C ATOM 154 OE1 GLU A 15 189.010 -0.452 7.756 1.00 0.00 O ATOM 155 OE2 GLU A 15 188.677 1.686 7.372 1.00 0.00 O ATOM 0 H GLU A 15 187.556 -0.474 2.883 1.00 0.00 H new ATOM 0 HA GLU A 15 190.080 0.938 3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.763 -0.988 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.443 -1.330 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 15 191.140 0.295 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 15 190.161 1.490 5.405 1.00 0.00 H new ATOM 162 N ALA A 16 191.246 -0.827 1.990 1.00 0.00 N ATOM 163 CA ALA A 16 191.808 -1.733 0.991 1.00 0.00 C ATOM 164 C ALA A 16 192.435 -2.958 1.641 1.00 0.00 C ATOM 165 O ALA A 16 193.410 -2.854 2.380 1.00 0.00 O ATOM 166 CB ALA A 16 192.836 -1.004 0.137 1.00 0.00 C ATOM 0 H ALA A 16 191.877 -0.087 2.299 1.00 0.00 H new ATOM 0 HA ALA A 16 190.993 -2.074 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.247 -1.691 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.359 -0.166 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.640 -0.633 0.773 1.00 0.00 H new ATOM 172 N ILE A 17 191.859 -4.123 1.356 1.00 0.00 N ATOM 173 CA ILE A 17 192.349 -5.380 1.908 1.00 0.00 C ATOM 174 C ILE A 17 193.430 -5.989 1.021 1.00 0.00 C ATOM 175 O ILE A 17 193.250 -6.126 -0.190 1.00 0.00 O ATOM 176 CB ILE A 17 191.205 -6.401 2.073 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.984 -5.735 2.712 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.666 -7.585 2.908 1.00 0.00 C ATOM 179 CD1 ILE A 17 190.225 -5.259 4.128 1.00 0.00 C ATOM 0 H ILE A 17 191.049 -4.221 0.743 1.00 0.00 H new ATOM 0 HA ILE A 17 192.772 -5.152 2.886 1.00 0.00 H new ATOM 0 HB ILE A 17 190.921 -6.767 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.681 -4.886 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 17 189.154 -6.441 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.847 -8.296 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.507 -8.072 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.975 -7.237 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.317 -4.798 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.498 -6.107 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 17 191.034 -4.528 4.134 1.00 0.00 H new ATOM 191 N TYR A 18 194.553 -6.351 1.632 1.00 0.00 N ATOM 192 CA TYR A 18 195.665 -6.947 0.902 1.00 0.00 C ATOM 193 C TYR A 18 195.581 -8.473 0.943 1.00 0.00 C ATOM 194 O TYR A 18 195.210 -9.048 1.966 1.00 0.00 O ATOM 195 CB TYR A 18 196.996 -6.480 1.499 1.00 0.00 C ATOM 196 CG TYR A 18 198.178 -6.664 0.573 1.00 0.00 C ATOM 197 CD1 TYR A 18 198.458 -5.735 -0.421 1.00 0.00 C ATOM 198 CD2 TYR A 18 199.014 -7.767 0.695 1.00 0.00 C ATOM 199 CE1 TYR A 18 199.537 -5.901 -1.269 1.00 0.00 C ATOM 200 CE2 TYR A 18 200.096 -7.939 -0.149 1.00 0.00 C ATOM 201 CZ TYR A 18 200.352 -7.003 -1.128 1.00 0.00 C ATOM 202 OH TYR A 18 201.428 -7.171 -1.971 1.00 0.00 O ATOM 0 H TYR A 18 194.717 -6.242 2.633 1.00 0.00 H new ATOM 0 HA TYR A 18 195.607 -6.625 -0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.915 -5.426 1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 18 197.181 -7.028 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 18 197.822 -4.869 -0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 18 198.816 -8.502 1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 18 199.740 -5.171 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.737 -8.802 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 18 202.259 -7.019 -1.475 1.00 0.00 H new ATOM 212 N PRO A 19 195.920 -9.159 -0.168 1.00 0.00 N ATOM 213 CA PRO A 19 196.366 -8.543 -1.409 1.00 0.00 C ATOM 214 C PRO A 19 195.223 -8.324 -2.395 1.00 0.00 C ATOM 215 O PRO A 19 195.442 -7.887 -3.525 1.00 0.00 O ATOM 216 CB PRO A 19 197.353 -9.577 -1.955 1.00 0.00 C ATOM 217 CG PRO A 19 196.977 -10.889 -1.320 1.00 0.00 C ATOM 218 CD PRO A 19 195.896 -10.615 -0.300 1.00 0.00 C ATOM 0 HA PRO A 19 196.792 -7.552 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.292 -9.638 -3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.379 -9.305 -1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 19 196.621 -11.591 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.845 -11.346 -0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.923 -10.972 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 19 196.104 -11.109 0.649 1.00 0.00 H new ATOM 226 N ARG A 20 194.002 -8.627 -1.964 1.00 0.00 N ATOM 227 CA ARG A 20 192.833 -8.457 -2.809 1.00 0.00 C ATOM 228 C ARG A 20 191.548 -8.613 -2.003 1.00 0.00 C ATOM 229 O ARG A 20 191.082 -9.726 -1.762 1.00 0.00 O ATOM 230 CB ARG A 20 192.855 -9.463 -3.961 1.00 0.00 C ATOM 231 CG ARG A 20 193.043 -10.903 -3.507 1.00 0.00 C ATOM 232 CD ARG A 20 194.416 -11.438 -3.887 1.00 0.00 C ATOM 233 NE ARG A 20 194.335 -12.458 -4.931 1.00 0.00 N ATOM 234 CZ ARG A 20 195.364 -12.820 -5.694 1.00 0.00 C ATOM 235 NH1 ARG A 20 196.552 -12.250 -5.534 1.00 0.00 N ATOM 236 NH2 ARG A 20 195.204 -13.758 -6.620 1.00 0.00 N ATOM 0 H ARG A 20 193.800 -8.992 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 20 192.860 -7.448 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 20 191.922 -9.385 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.659 -9.199 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 20 192.915 -10.963 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 20 192.272 -11.529 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 20 195.043 -10.616 -4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 20 194.898 -11.859 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 20 193.438 -12.919 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 20 196.681 -11.530 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 20 197.336 -12.532 -6.122 1.00 0.00 H new ATOM 0 HH21 ARG A 20 194.294 -14.200 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 195.992 -14.036 -7.205 1.00 0.00 H new ATOM 250 N GLY A 21 190.978 -7.484 -1.593 1.00 0.00 N ATOM 251 CA GLY A 21 189.749 -7.506 -0.823 1.00 0.00 C ATOM 252 C GLY A 21 189.211 -6.115 -0.558 1.00 0.00 C ATOM 253 O GLY A 21 189.830 -5.122 -0.937 1.00 0.00 O ATOM 0 H GLY A 21 191.347 -6.552 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.998 -8.088 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.927 -8.011 0.126 1.00 0.00 H new ATOM 257 N LEU A 22 188.051 -6.041 0.089 1.00 0.00 N ATOM 258 CA LEU A 22 187.432 -4.757 0.394 1.00 0.00 C ATOM 259 C LEU A 22 186.592 -4.843 1.666 1.00 0.00 C ATOM 260 O LEU A 22 185.879 -5.821 1.886 1.00 0.00 O ATOM 261 CB LEU A 22 186.562 -4.299 -0.784 1.00 0.00 C ATOM 262 CG LEU A 22 185.522 -3.220 -0.461 1.00 0.00 C ATOM 263 CD1 LEU A 22 186.169 -2.052 0.271 1.00 0.00 C ATOM 264 CD2 LEU A 22 184.835 -2.745 -1.732 1.00 0.00 C ATOM 0 H LEU A 22 187.523 -6.852 0.411 1.00 0.00 H new ATOM 0 HA LEU A 22 188.224 -4.027 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.216 -3.923 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 22 186.043 -5.168 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 22 184.767 -3.655 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.414 -1.297 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 22 186.610 -2.406 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.946 -1.615 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 22 184.100 -1.979 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 22 185.577 -2.328 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 22 184.335 -3.586 -2.211 1.00 0.00 H new ATOM 276 N ARG A 23 186.678 -3.808 2.495 1.00 0.00 N ATOM 277 CA ARG A 23 185.921 -3.757 3.741 1.00 0.00 C ATOM 278 C ARG A 23 185.150 -2.445 3.844 1.00 0.00 C ATOM 279 O ARG A 23 185.743 -1.378 3.997 1.00 0.00 O ATOM 280 CB ARG A 23 186.858 -3.910 4.941 1.00 0.00 C ATOM 281 CG ARG A 23 186.136 -4.230 6.240 1.00 0.00 C ATOM 282 CD ARG A 23 186.707 -5.471 6.914 1.00 0.00 C ATOM 283 NE ARG A 23 185.696 -6.511 7.089 1.00 0.00 N ATOM 284 CZ ARG A 23 184.814 -6.528 8.085 1.00 0.00 C ATOM 285 NH1 ARG A 23 184.809 -5.562 8.996 1.00 0.00 N ATOM 286 NH2 ARG A 23 183.931 -7.514 8.171 1.00 0.00 N ATOM 0 H ARG A 23 187.266 -2.992 2.326 1.00 0.00 H new ATOM 0 HA ARG A 23 185.209 -4.582 3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.578 -4.701 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 23 187.426 -2.988 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 23 186.214 -3.380 6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 23 185.075 -4.381 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 23 187.530 -5.862 6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 23 187.120 -5.199 7.886 1.00 0.00 H new ATOM 0 HE ARG A 23 185.664 -7.269 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 23 185.484 -4.800 8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 23 184.130 -5.582 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 23 183.928 -8.259 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 23 183.255 -7.528 8.934 1.00 0.00 H new ATOM 300 N VAL A 24 183.826 -2.529 3.748 1.00 0.00 N ATOM 301 CA VAL A 24 182.977 -1.345 3.818 1.00 0.00 C ATOM 302 C VAL A 24 181.997 -1.426 4.988 1.00 0.00 C ATOM 303 O VAL A 24 181.531 -2.507 5.346 1.00 0.00 O ATOM 304 CB VAL A 24 182.187 -1.154 2.509 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.436 0.169 2.514 1.00 0.00 C ATOM 306 CG2 VAL A 24 183.118 -1.239 1.309 1.00 0.00 C ATOM 0 H VAL A 24 183.318 -3.405 3.622 1.00 0.00 H new ATOM 0 HA VAL A 24 183.637 -0.491 3.970 1.00 0.00 H new ATOM 0 HB VAL A 24 181.453 -1.956 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.887 0.279 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.737 0.187 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.146 0.990 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.544 -1.102 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.877 -0.460 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.601 -2.216 1.292 1.00 0.00 H new ATOM 316 N SER A 25 181.689 -0.273 5.579 1.00 0.00 N ATOM 317 CA SER A 25 180.763 -0.210 6.707 1.00 0.00 C ATOM 318 C SER A 25 179.980 1.102 6.703 1.00 0.00 C ATOM 319 O SER A 25 180.462 2.122 6.213 1.00 0.00 O ATOM 320 CB SER A 25 181.525 -0.358 8.027 1.00 0.00 C ATOM 321 OG SER A 25 182.667 -1.182 7.867 1.00 0.00 O ATOM 0 H SER A 25 182.068 0.630 5.295 1.00 0.00 H new ATOM 0 HA SER A 25 180.055 -1.033 6.607 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.829 0.625 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 25 180.868 -0.785 8.784 1.00 0.00 H new ATOM 0 HG SER A 25 183.137 -1.259 8.723 1.00 0.00 H new ATOM 327 N ILE A 26 178.770 1.063 7.255 1.00 0.00 N ATOM 328 CA ILE A 26 177.910 2.250 7.317 1.00 0.00 C ATOM 329 C ILE A 26 177.181 2.329 8.658 1.00 0.00 C ATOM 330 O ILE A 26 176.560 1.355 9.086 1.00 0.00 O ATOM 331 CB ILE A 26 176.851 2.232 6.197 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.197 0.853 6.110 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.468 2.619 4.864 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.686 0.902 6.088 1.00 0.00 C ATOM 0 H ILE A 26 178.360 0.225 7.667 1.00 0.00 H new ATOM 0 HA ILE A 26 178.561 3.116 7.195 1.00 0.00 H new ATOM 0 HB ILE A 26 176.082 2.966 6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.549 0.349 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.521 0.252 6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.702 2.599 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 26 177.887 3.623 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.259 1.913 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.290 -0.112 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.324 1.377 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.353 1.476 5.223 1.00 0.00 H new ATOM 346 N PRO A 27 177.226 3.489 9.337 1.00 0.00 N ATOM 347 CA PRO A 27 176.544 3.670 10.623 1.00 0.00 C ATOM 348 C PRO A 27 175.035 3.478 10.490 1.00 0.00 C ATOM 349 O PRO A 27 174.322 4.375 10.041 1.00 0.00 O ATOM 350 CB PRO A 27 176.872 5.117 11.014 1.00 0.00 C ATOM 351 CG PRO A 27 177.284 5.780 9.745 1.00 0.00 C ATOM 352 CD PRO A 27 177.923 4.712 8.906 1.00 0.00 C ATOM 0 HA PRO A 27 176.869 2.942 11.367 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.006 5.612 11.454 1.00 0.00 H new ATOM 0 HB3 PRO A 27 177.671 5.153 11.755 1.00 0.00 H new ATOM 0 HG2 PRO A 27 176.424 6.214 9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 27 177.983 6.593 9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.786 4.900 7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 27 178.997 4.648 9.083 1.00 0.00 H new ATOM 360 N ASP A 28 174.563 2.296 10.868 1.00 0.00 N ATOM 361 CA ASP A 28 173.142 1.967 10.779 1.00 0.00 C ATOM 362 C ASP A 28 172.295 2.885 11.654 1.00 0.00 C ATOM 363 O ASP A 28 172.792 3.515 12.586 1.00 0.00 O ATOM 364 CB ASP A 28 172.910 0.510 11.187 1.00 0.00 C ATOM 365 CG ASP A 28 171.448 0.109 11.108 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.742 0.611 10.210 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.013 -0.709 11.947 1.00 0.00 O ATOM 0 H ASP A 28 175.145 1.546 11.241 1.00 0.00 H new ATOM 0 HA ASP A 28 172.837 2.110 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.498 -0.143 10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.270 0.359 12.205 1.00 0.00 H new ATOM 372 N ASP A 29 171.006 2.932 11.342 1.00 0.00 N ATOM 373 CA ASP A 29 170.055 3.744 12.086 1.00 0.00 C ATOM 374 C ASP A 29 168.676 3.100 12.033 1.00 0.00 C ATOM 375 O ASP A 29 167.671 3.767 11.782 1.00 0.00 O ATOM 376 CB ASP A 29 170.000 5.164 11.518 1.00 0.00 C ATOM 377 CG ASP A 29 169.285 6.130 12.443 1.00 0.00 C ATOM 378 OD1 ASP A 29 169.688 6.232 13.621 1.00 0.00 O ATOM 379 OD2 ASP A 29 168.323 6.785 11.989 1.00 0.00 O ATOM 0 H ASP A 29 170.593 2.410 10.569 1.00 0.00 H new ATOM 0 HA ASP A 29 170.381 3.804 13.124 1.00 0.00 H new ATOM 0 HB2 ASP A 29 171.014 5.520 11.339 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.493 5.147 10.553 1.00 0.00 H new ATOM 384 N GLY A 30 168.643 1.791 12.263 1.00 0.00 N ATOM 385 CA GLY A 30 167.399 1.058 12.233 1.00 0.00 C ATOM 386 C GLY A 30 166.781 1.029 10.850 1.00 0.00 C ATOM 387 O GLY A 30 165.579 1.240 10.693 1.00 0.00 O ATOM 0 H GLY A 30 169.465 1.225 12.471 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.574 0.037 12.572 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.696 1.510 12.933 1.00 0.00 H new ATOM 391 N PHE A 31 167.612 0.775 9.843 1.00 0.00 N ATOM 392 CA PHE A 31 167.146 0.726 8.464 1.00 0.00 C ATOM 393 C PHE A 31 166.412 -0.585 8.170 1.00 0.00 C ATOM 394 O PHE A 31 165.449 -0.936 8.851 1.00 0.00 O ATOM 395 CB PHE A 31 168.326 0.903 7.503 1.00 0.00 C ATOM 396 CG PHE A 31 169.109 2.161 7.743 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.462 3.367 7.955 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.494 2.136 7.760 1.00 0.00 C ATOM 399 CE1 PHE A 31 169.182 4.526 8.180 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.219 3.290 7.984 1.00 0.00 C ATOM 401 CZ PHE A 31 170.562 4.486 8.194 1.00 0.00 C ATOM 0 H PHE A 31 168.610 0.600 9.958 1.00 0.00 H new ATOM 0 HA PHE A 31 166.440 1.543 8.317 1.00 0.00 H new ATOM 0 HB2 PHE A 31 168.993 0.046 7.597 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.953 0.906 6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.383 3.403 7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.013 1.203 7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.666 5.460 8.344 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.298 3.257 7.995 1.00 0.00 H new ATOM 0 HZ PHE A 31 171.127 5.390 8.369 1.00 0.00 H new ATOM 411 N SER A 32 166.871 -1.294 7.143 1.00 0.00 N ATOM 412 CA SER A 32 166.272 -2.551 6.733 1.00 0.00 C ATOM 413 C SER A 32 167.033 -3.110 5.542 1.00 0.00 C ATOM 414 O SER A 32 167.225 -4.321 5.430 1.00 0.00 O ATOM 415 CB SER A 32 164.795 -2.355 6.380 1.00 0.00 C ATOM 416 OG SER A 32 163.978 -3.276 7.081 1.00 0.00 O ATOM 0 H SER A 32 167.669 -1.010 6.574 1.00 0.00 H new ATOM 0 HA SER A 32 166.330 -3.259 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.492 -1.337 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.654 -2.482 5.307 1.00 0.00 H new ATOM 0 HG SER A 32 163.039 -3.130 6.840 1.00 0.00 H new ATOM 422 N LEU A 33 167.492 -2.219 4.661 1.00 0.00 N ATOM 423 CA LEU A 33 168.260 -2.658 3.496 1.00 0.00 C ATOM 424 C LEU A 33 169.408 -1.713 3.192 1.00 0.00 C ATOM 425 O LEU A 33 169.220 -0.504 3.107 1.00 0.00 O ATOM 426 CB LEU A 33 167.390 -2.768 2.248 1.00 0.00 C ATOM 427 CG LEU A 33 167.996 -3.632 1.138 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.858 -5.110 1.464 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.356 -3.315 -0.205 1.00 0.00 C ATOM 0 H LEU A 33 167.350 -1.211 4.729 1.00 0.00 H new ATOM 0 HA LEU A 33 168.652 -3.642 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.422 -3.182 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.207 -1.767 1.856 1.00 0.00 H new ATOM 0 HG LEU A 33 169.058 -3.398 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.296 -5.702 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.376 -5.326 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.803 -5.363 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.803 -3.941 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.285 -3.511 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.521 -2.265 -0.448 1.00 0.00 H new ATOM 441 N PHE A 34 170.591 -2.281 3.000 1.00 0.00 N ATOM 442 CA PHE A 34 171.775 -1.503 2.673 1.00 0.00 C ATOM 443 C PHE A 34 172.339 -1.945 1.322 1.00 0.00 C ATOM 444 O PHE A 34 172.903 -3.032 1.204 1.00 0.00 O ATOM 445 CB PHE A 34 172.833 -1.663 3.760 1.00 0.00 C ATOM 446 CG PHE A 34 174.141 -1.006 3.424 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.180 0.320 3.023 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.329 -1.714 3.497 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.380 0.928 2.702 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.533 -1.112 3.180 1.00 0.00 C ATOM 451 CZ PHE A 34 176.557 0.210 2.780 1.00 0.00 C ATOM 0 H PHE A 34 170.755 -3.286 3.066 1.00 0.00 H new ATOM 0 HA PHE A 34 171.494 -0.452 2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.453 -1.242 4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 34 173.004 -2.725 3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.262 0.886 2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.315 -2.749 3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.397 1.962 2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.453 -1.674 3.245 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.495 0.682 2.528 1.00 0.00 H new ATOM 461 N ALA A 35 172.186 -1.099 0.308 1.00 0.00 N ATOM 462 CA ALA A 35 172.682 -1.409 -1.027 1.00 0.00 C ATOM 463 C ALA A 35 173.853 -0.506 -1.394 1.00 0.00 C ATOM 464 O ALA A 35 173.722 0.717 -1.415 1.00 0.00 O ATOM 465 CB ALA A 35 171.565 -1.278 -2.052 1.00 0.00 C ATOM 0 H ALA A 35 171.722 -0.194 0.386 1.00 0.00 H new ATOM 0 HA ALA A 35 173.036 -2.440 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.952 -1.513 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.760 -1.970 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.182 -0.258 -2.044 1.00 0.00 H new ATOM 471 N PHE A 36 174.998 -1.113 -1.673 1.00 0.00 N ATOM 472 CA PHE A 36 176.193 -0.357 -2.029 1.00 0.00 C ATOM 473 C PHE A 36 176.551 -0.545 -3.499 1.00 0.00 C ATOM 474 O PHE A 36 176.652 -1.672 -3.981 1.00 0.00 O ATOM 475 CB PHE A 36 177.367 -0.788 -1.150 1.00 0.00 C ATOM 476 CG PHE A 36 178.634 -0.025 -1.417 1.00 0.00 C ATOM 477 CD1 PHE A 36 179.386 -0.285 -2.551 1.00 0.00 C ATOM 478 CD2 PHE A 36 179.072 0.948 -0.534 1.00 0.00 C ATOM 479 CE1 PHE A 36 180.553 0.413 -2.798 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.239 1.648 -0.776 1.00 0.00 C ATOM 481 CZ PHE A 36 180.979 1.380 -1.910 1.00 0.00 C ATOM 0 H PHE A 36 175.126 -2.125 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 36 175.983 0.700 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 36 177.091 -0.662 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.554 -1.851 -1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 36 179.057 -1.041 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 36 178.495 1.162 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 36 181.131 0.202 -3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 36 180.571 2.403 -0.079 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.890 1.926 -2.102 1.00 0.00 H new ATOM 491 N HIS A 37 176.749 0.568 -4.201 1.00 0.00 N ATOM 492 CA HIS A 37 177.106 0.548 -5.609 1.00 0.00 C ATOM 493 C HIS A 37 178.390 1.339 -5.813 1.00 0.00 C ATOM 494 O HIS A 37 178.455 2.503 -5.423 1.00 0.00 O ATOM 495 CB HIS A 37 175.986 1.172 -6.426 1.00 0.00 C ATOM 496 CG HIS A 37 175.432 0.264 -7.475 1.00 0.00 C ATOM 497 ND1 HIS A 37 174.089 -0.033 -7.584 1.00 0.00 N ATOM 498 CD2 HIS A 37 176.048 -0.426 -8.464 1.00 0.00 C ATOM 499 CE1 HIS A 37 173.904 -0.867 -8.591 1.00 0.00 C ATOM 500 NE2 HIS A 37 175.077 -1.120 -9.142 1.00 0.00 N ATOM 0 H HIS A 37 176.666 1.505 -3.807 1.00 0.00 H new ATOM 0 HA HIS A 37 177.257 -0.481 -5.934 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.181 1.471 -5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.357 2.079 -6.902 1.00 0.00 H new ATOM 0 HD1 HIS A 37 173.353 0.335 -6.981 1.00 0.00 H new ATOM 0 HD2 HIS A 37 177.106 -0.430 -8.679 1.00 0.00 H new ATOM 0 HE1 HIS A 37 172.955 -1.273 -8.910 1.00 0.00 H new ATOM 0 HE2 HIS A 37 175.236 -1.732 -9.942 1.00 0.00 H new ATOM 509 N GLY A 38 179.410 0.730 -6.410 1.00 0.00 N ATOM 510 CA GLY A 38 180.652 1.460 -6.602 1.00 0.00 C ATOM 511 C GLY A 38 181.492 0.958 -7.752 1.00 0.00 C ATOM 512 O GLY A 38 181.616 -0.248 -7.966 1.00 0.00 O ATOM 0 H GLY A 38 179.403 -0.229 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.420 2.512 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.239 1.403 -5.686 1.00 0.00 H new ATOM 516 N LYS A 39 182.084 1.893 -8.486 1.00 0.00 N ATOM 517 CA LYS A 39 182.934 1.557 -9.617 1.00 0.00 C ATOM 518 C LYS A 39 184.384 1.922 -9.321 1.00 0.00 C ATOM 519 O LYS A 39 184.662 2.869 -8.579 1.00 0.00 O ATOM 520 CB LYS A 39 182.460 2.280 -10.879 1.00 0.00 C ATOM 521 CG LYS A 39 182.773 1.526 -12.162 1.00 0.00 C ATOM 522 CD LYS A 39 182.122 2.181 -13.370 1.00 0.00 C ATOM 523 CE LYS A 39 180.867 1.437 -13.803 1.00 0.00 C ATOM 524 NZ LYS A 39 180.884 1.120 -15.258 1.00 0.00 N ATOM 0 H LYS A 39 181.989 2.894 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 39 182.869 0.482 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.384 2.440 -10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.927 3.264 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 39 183.853 1.486 -12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 39 182.425 0.497 -12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 39 181.869 3.214 -13.132 1.00 0.00 H new ATOM 0 HD3 LYS A 39 182.832 2.209 -14.196 1.00 0.00 H new ATOM 0 HE2 LYS A 39 180.777 0.513 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 39 179.989 2.041 -13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 179.922 0.882 -15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 181.228 1.945 -15.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 181.514 0.311 -15.430 1.00 0.00 H new ATOM 538 N LEU A 40 185.305 1.159 -9.899 1.00 0.00 N ATOM 539 CA LEU A 40 186.731 1.392 -9.698 1.00 0.00 C ATOM 540 C LEU A 40 187.325 2.187 -10.855 1.00 0.00 C ATOM 541 O LEU A 40 187.298 1.746 -12.005 1.00 0.00 O ATOM 542 CB LEU A 40 187.465 0.059 -9.546 1.00 0.00 C ATOM 543 CG LEU A 40 188.969 0.173 -9.288 1.00 0.00 C ATOM 544 CD1 LEU A 40 189.254 0.166 -7.794 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.716 -0.958 -9.980 1.00 0.00 C ATOM 0 H LEU A 40 185.089 0.372 -10.512 1.00 0.00 H new ATOM 0 HA LEU A 40 186.854 1.975 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 40 187.012 -0.496 -8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.311 -0.529 -10.451 1.00 0.00 H new ATOM 0 HG LEU A 40 189.319 1.119 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 40 190.328 0.248 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.749 1.009 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.889 -0.764 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.784 -0.861 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 40 189.363 -1.915 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.537 -0.909 -11.054 1.00 0.00 H new ATOM 557 N ASN A 41 187.865 3.361 -10.543 1.00 0.00 N ATOM 558 CA ASN A 41 188.471 4.219 -11.555 1.00 0.00 C ATOM 559 C ASN A 41 187.438 4.662 -12.589 1.00 0.00 C ATOM 560 O ASN A 41 187.607 4.439 -13.788 1.00 0.00 O ATOM 561 CB ASN A 41 189.626 3.491 -12.247 1.00 0.00 C ATOM 562 CG ASN A 41 190.792 4.412 -12.550 1.00 0.00 C ATOM 563 OD1 ASN A 41 190.853 5.024 -13.617 1.00 0.00 O ATOM 564 ND2 ASN A 41 191.726 4.516 -11.611 1.00 0.00 N ATOM 0 H ASN A 41 187.895 3.740 -9.597 1.00 0.00 H new ATOM 0 HA ASN A 41 188.858 5.107 -11.055 1.00 0.00 H new ATOM 0 HB2 ASN A 41 189.968 2.673 -11.613 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.267 3.046 -13.175 1.00 0.00 H new ATOM 0 HD21 ASN A 41 192.534 5.121 -11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 41 191.636 3.991 -10.741 1.00 0.00 H new ATOM 571 N GLU A 42 186.372 5.300 -12.113 1.00 0.00 N ATOM 572 CA GLU A 42 185.310 5.789 -12.981 1.00 0.00 C ATOM 573 C GLU A 42 184.196 6.413 -12.154 1.00 0.00 C ATOM 574 O GLU A 42 183.456 5.720 -11.455 1.00 0.00 O ATOM 575 CB GLU A 42 184.739 4.674 -13.853 1.00 0.00 C ATOM 576 CG GLU A 42 183.701 5.175 -14.842 1.00 0.00 C ATOM 577 CD GLU A 42 183.178 4.081 -15.750 1.00 0.00 C ATOM 578 OE1 GLU A 42 183.982 3.222 -16.168 1.00 0.00 O ATOM 579 OE2 GLU A 42 181.963 4.082 -16.042 1.00 0.00 O ATOM 0 H GLU A 42 186.222 5.490 -11.122 1.00 0.00 H new ATOM 0 HA GLU A 42 185.744 6.545 -13.636 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.551 4.193 -14.398 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.289 3.914 -13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.868 5.616 -14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.138 5.967 -15.450 1.00 0.00 H new ATOM 586 N GLU A 43 184.095 7.727 -12.236 1.00 0.00 N ATOM 587 CA GLU A 43 183.084 8.473 -11.496 1.00 0.00 C ATOM 588 C GLU A 43 181.676 8.002 -11.838 1.00 0.00 C ATOM 589 O GLU A 43 181.487 6.980 -12.496 1.00 0.00 O ATOM 590 CB GLU A 43 183.209 9.969 -11.785 1.00 0.00 C ATOM 591 CG GLU A 43 184.618 10.495 -11.613 1.00 0.00 C ATOM 592 CD GLU A 43 184.755 11.947 -12.025 1.00 0.00 C ATOM 593 OE1 GLU A 43 183.927 12.771 -11.582 1.00 0.00 O ATOM 594 OE2 GLU A 43 185.689 12.262 -12.792 1.00 0.00 O ATOM 0 H GLU A 43 184.705 8.307 -12.812 1.00 0.00 H new ATOM 0 HA GLU A 43 183.256 8.291 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.877 10.164 -12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.540 10.518 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.917 10.388 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.303 9.888 -12.205 1.00 0.00 H new ATOM 601 N MET A 44 180.695 8.767 -11.378 1.00 0.00 N ATOM 602 CA MET A 44 179.289 8.460 -11.619 1.00 0.00 C ATOM 603 C MET A 44 178.408 9.624 -11.175 1.00 0.00 C ATOM 604 O MET A 44 178.769 10.378 -10.272 1.00 0.00 O ATOM 605 CB MET A 44 178.880 7.180 -10.880 1.00 0.00 C ATOM 606 CG MET A 44 179.769 6.841 -9.692 1.00 0.00 C ATOM 607 SD MET A 44 178.864 6.068 -8.337 1.00 0.00 S ATOM 608 CE MET A 44 178.512 4.448 -9.023 1.00 0.00 C ATOM 0 H MET A 44 180.849 9.614 -10.830 1.00 0.00 H new ATOM 0 HA MET A 44 179.153 8.302 -12.689 1.00 0.00 H new ATOM 0 HB2 MET A 44 177.852 7.285 -10.533 1.00 0.00 H new ATOM 0 HB3 MET A 44 178.896 6.346 -11.582 1.00 0.00 H new ATOM 0 HG2 MET A 44 180.565 6.172 -10.019 1.00 0.00 H new ATOM 0 HG3 MET A 44 180.247 7.752 -9.330 1.00 0.00 H new ATOM 0 HE1 MET A 44 178.304 3.748 -8.214 1.00 0.00 H new ATOM 0 HE2 MET A 44 177.644 4.512 -9.680 1.00 0.00 H new ATOM 0 HE3 MET A 44 179.373 4.099 -9.592 1.00 0.00 H new ATOM 618 N ASP A 45 177.253 9.770 -11.817 1.00 0.00 N ATOM 619 CA ASP A 45 176.326 10.846 -11.487 1.00 0.00 C ATOM 620 C ASP A 45 174.890 10.338 -11.479 1.00 0.00 C ATOM 621 O ASP A 45 174.082 10.703 -12.336 1.00 0.00 O ATOM 622 CB ASP A 45 176.470 11.996 -12.487 1.00 0.00 C ATOM 623 CG ASP A 45 175.854 13.285 -11.976 1.00 0.00 C ATOM 624 OD1 ASP A 45 174.610 13.361 -11.905 1.00 0.00 O ATOM 625 OD2 ASP A 45 176.616 14.218 -11.648 1.00 0.00 O ATOM 0 H ASP A 45 176.937 9.157 -12.568 1.00 0.00 H new ATOM 0 HA ASP A 45 176.569 11.211 -10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 45 177.527 12.160 -12.699 1.00 0.00 H new ATOM 0 HB3 ASP A 45 175.996 11.718 -13.428 1.00 0.00 H new ATOM 630 N GLY A 46 174.580 9.483 -10.512 1.00 0.00 N ATOM 631 CA GLY A 46 173.265 8.924 -10.406 1.00 0.00 C ATOM 632 C GLY A 46 173.303 7.545 -9.789 1.00 0.00 C ATOM 633 O GLY A 46 174.011 7.315 -8.810 1.00 0.00 O ATOM 0 H GLY A 46 175.233 9.169 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 46 172.637 9.578 -9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 46 172.810 8.870 -11.395 1.00 0.00 H new ATOM 637 N LEU A 47 172.538 6.627 -10.356 1.00 0.00 N ATOM 638 CA LEU A 47 172.481 5.276 -9.859 1.00 0.00 C ATOM 639 C LEU A 47 172.929 4.286 -10.925 1.00 0.00 C ATOM 640 O LEU A 47 172.133 3.502 -11.440 1.00 0.00 O ATOM 641 CB LEU A 47 171.063 4.999 -9.412 1.00 0.00 C ATOM 642 CG LEU A 47 170.558 5.977 -8.360 1.00 0.00 C ATOM 643 CD1 LEU A 47 169.041 5.937 -8.265 1.00 0.00 C ATOM 644 CD2 LEU A 47 171.196 5.670 -7.015 1.00 0.00 C ATOM 0 H LEU A 47 171.946 6.802 -11.168 1.00 0.00 H new ATOM 0 HA LEU A 47 173.161 5.159 -9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 47 170.403 5.036 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 47 171.007 3.986 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 47 170.843 6.986 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 47 168.705 6.644 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 47 168.609 6.206 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 168.720 4.932 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 47 170.829 6.375 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 47 170.938 4.655 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 47 172.279 5.760 -7.097 1.00 0.00 H new ATOM 656 N GLU A 48 174.216 4.336 -11.249 1.00 0.00 N ATOM 657 CA GLU A 48 174.788 3.450 -12.256 1.00 0.00 C ATOM 658 C GLU A 48 175.129 2.092 -11.655 1.00 0.00 C ATOM 659 O GLU A 48 175.322 1.966 -10.446 1.00 0.00 O ATOM 660 CB GLU A 48 176.041 4.080 -12.866 1.00 0.00 C ATOM 661 CG GLU A 48 175.739 5.107 -13.945 1.00 0.00 C ATOM 662 CD GLU A 48 175.776 4.513 -15.340 1.00 0.00 C ATOM 663 OE1 GLU A 48 176.848 4.012 -15.744 1.00 0.00 O ATOM 664 OE2 GLU A 48 174.736 4.549 -16.028 1.00 0.00 O ATOM 0 H GLU A 48 174.884 4.982 -10.828 1.00 0.00 H new ATOM 0 HA GLU A 48 174.045 3.303 -13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.621 4.556 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 48 176.665 3.293 -13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 48 174.755 5.540 -13.764 1.00 0.00 H new ATOM 0 HG3 GLU A 48 176.462 5.920 -13.881 1.00 0.00 H new ATOM 671 N ALA A 49 175.196 1.078 -12.509 1.00 0.00 N ATOM 672 CA ALA A 49 175.505 -0.272 -12.073 1.00 0.00 C ATOM 673 C ALA A 49 176.884 -0.357 -11.419 1.00 0.00 C ATOM 674 O ALA A 49 177.187 -1.327 -10.724 1.00 0.00 O ATOM 675 CB ALA A 49 175.417 -1.236 -13.246 1.00 0.00 C ATOM 0 H ALA A 49 175.039 1.169 -13.513 1.00 0.00 H new ATOM 0 HA ALA A 49 174.767 -0.553 -11.321 1.00 0.00 H new ATOM 0 HB1 ALA A 49 175.651 -2.245 -12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.408 -1.217 -13.658 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.129 -0.938 -14.016 1.00 0.00 H new ATOM 681 N GLY A 50 177.720 0.659 -11.649 1.00 0.00 N ATOM 682 CA GLY A 50 179.057 0.678 -11.077 1.00 0.00 C ATOM 683 C GLY A 50 179.736 -0.678 -11.116 1.00 0.00 C ATOM 684 O GLY A 50 179.741 -1.348 -12.149 1.00 0.00 O ATOM 0 H GLY A 50 177.492 1.470 -12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.668 1.400 -11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.000 1.020 -10.044 1.00 0.00 H new ATOM 688 N HIS A 51 180.297 -1.084 -9.984 1.00 0.00 N ATOM 689 CA HIS A 51 180.970 -2.372 -9.885 1.00 0.00 C ATOM 690 C HIS A 51 180.468 -3.146 -8.675 1.00 0.00 C ATOM 691 O HIS A 51 179.792 -4.165 -8.815 1.00 0.00 O ATOM 692 CB HIS A 51 182.486 -2.185 -9.801 1.00 0.00 C ATOM 693 CG HIS A 51 183.264 -3.387 -10.241 1.00 0.00 C ATOM 694 ND1 HIS A 51 184.099 -3.384 -11.337 1.00 0.00 N ATOM 695 CD2 HIS A 51 183.328 -4.637 -9.723 1.00 0.00 C ATOM 696 CE1 HIS A 51 184.643 -4.580 -11.476 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.192 -5.357 -10.510 1.00 0.00 N ATOM 0 H HIS A 51 180.299 -0.539 -9.122 1.00 0.00 H new ATOM 0 HA HIS A 51 180.741 -2.944 -10.784 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.773 -1.332 -10.416 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.757 -1.943 -8.773 1.00 0.00 H new ATOM 0 HD2 HIS A 51 182.799 -4.999 -8.854 1.00 0.00 H new ATOM 0 HE1 HIS A 51 185.339 -4.872 -12.249 1.00 0.00 H new ATOM 0 HE2 HIS A 51 184.445 -6.335 -10.370 1.00 0.00 H new ATOM 706 N TRP A 52 180.789 -2.652 -7.487 1.00 0.00 N ATOM 707 CA TRP A 52 180.354 -3.295 -6.256 1.00 0.00 C ATOM 708 C TRP A 52 178.889 -2.978 -5.993 1.00 0.00 C ATOM 709 O TRP A 52 178.569 -1.973 -5.362 1.00 0.00 O ATOM 710 CB TRP A 52 181.221 -2.837 -5.085 1.00 0.00 C ATOM 711 CG TRP A 52 182.665 -3.181 -5.267 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.219 -4.426 -5.207 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.735 -2.274 -5.549 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.569 -4.350 -5.434 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.912 -3.040 -5.646 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.815 -0.890 -5.727 1.00 0.00 C ATOM 717 CZ2 TRP A 52 186.153 -2.466 -5.913 1.00 0.00 C ATOM 718 CZ3 TRP A 52 185.047 -0.323 -5.994 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.201 -1.110 -6.084 1.00 0.00 C ATOM 0 H TRP A 52 181.348 -1.810 -7.350 1.00 0.00 H new ATOM 0 HA TRP A 52 180.463 -4.374 -6.362 1.00 0.00 H new ATOM 0 HB2 TRP A 52 181.121 -1.758 -4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.855 -3.296 -4.166 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.674 -5.338 -5.010 1.00 0.00 H new ATOM 0 HE1 TRP A 52 185.214 -5.140 -5.444 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.930 -0.275 -5.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 187.045 -3.070 -5.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.120 0.745 -6.136 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.149 -0.637 -6.293 1.00 0.00 H new ATOM 730 N ALA A 53 178.011 -3.839 -6.499 1.00 0.00 N ATOM 731 CA ALA A 53 176.570 -3.666 -6.339 1.00 0.00 C ATOM 732 C ALA A 53 175.965 -4.829 -5.562 1.00 0.00 C ATOM 733 O ALA A 53 175.546 -5.825 -6.150 1.00 0.00 O ATOM 734 CB ALA A 53 175.900 -3.534 -7.699 1.00 0.00 C ATOM 0 H ALA A 53 178.275 -4.670 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 53 176.398 -2.752 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.826 -3.406 -7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.306 -2.668 -8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.087 -4.433 -8.286 1.00 0.00 H new ATOM 740 N ARG A 54 175.939 -4.712 -4.240 1.00 0.00 N ATOM 741 CA ARG A 54 175.404 -5.772 -3.401 1.00 0.00 C ATOM 742 C ARG A 54 174.461 -5.228 -2.328 1.00 0.00 C ATOM 743 O ARG A 54 174.814 -4.323 -1.573 1.00 0.00 O ATOM 744 CB ARG A 54 176.564 -6.525 -2.761 1.00 0.00 C ATOM 745 CG ARG A 54 176.133 -7.634 -1.814 1.00 0.00 C ATOM 746 CD ARG A 54 176.584 -8.999 -2.308 1.00 0.00 C ATOM 747 NE ARG A 54 175.563 -9.652 -3.124 1.00 0.00 N ATOM 748 CZ ARG A 54 175.671 -10.892 -3.596 1.00 0.00 C ATOM 749 NH1 ARG A 54 176.754 -11.616 -3.337 1.00 0.00 N ATOM 750 NH2 ARG A 54 174.696 -11.409 -4.328 1.00 0.00 N ATOM 0 H ARG A 54 176.281 -3.898 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 54 174.818 -6.448 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 54 177.184 -6.954 -3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 54 177.187 -5.816 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 54 176.549 -7.449 -0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 54 175.048 -7.624 -1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 54 177.498 -8.889 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 54 176.825 -9.632 -1.454 1.00 0.00 H new ATOM 0 HE ARG A 54 174.717 -9.127 -3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 54 177.508 -11.222 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 54 176.832 -12.566 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 54 173.862 -10.857 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 54 174.779 -12.359 -4.690 1.00 0.00 H new ATOM 764 N ASP A 55 173.259 -5.802 -2.266 1.00 0.00 N ATOM 765 CA ASP A 55 172.253 -5.401 -1.290 1.00 0.00 C ATOM 766 C ASP A 55 172.314 -6.301 -0.059 1.00 0.00 C ATOM 767 O ASP A 55 172.116 -7.513 -0.157 1.00 0.00 O ATOM 768 CB ASP A 55 170.859 -5.467 -1.914 1.00 0.00 C ATOM 769 CG ASP A 55 170.639 -6.730 -2.725 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.250 -7.758 -2.130 1.00 0.00 O ATOM 771 OD2 ASP A 55 170.854 -6.692 -3.955 1.00 0.00 O ATOM 0 H ASP A 55 172.959 -6.553 -2.888 1.00 0.00 H new ATOM 0 HA ASP A 55 172.458 -4.375 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 55 170.109 -5.412 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.711 -4.598 -2.555 1.00 0.00 H new ATOM 776 N ILE A 56 172.592 -5.707 1.097 1.00 0.00 N ATOM 777 CA ILE A 56 172.681 -6.464 2.341 1.00 0.00 C ATOM 778 C ILE A 56 171.400 -6.338 3.161 1.00 0.00 C ATOM 779 O ILE A 56 170.739 -5.302 3.144 1.00 0.00 O ATOM 780 CB ILE A 56 173.874 -6.000 3.199 1.00 0.00 C ATOM 781 CG1 ILE A 56 175.146 -5.941 2.349 1.00 0.00 C ATOM 782 CG2 ILE A 56 174.065 -6.928 4.390 1.00 0.00 C ATOM 783 CD1 ILE A 56 176.370 -5.501 3.120 1.00 0.00 C ATOM 0 H ILE A 56 172.759 -4.706 1.199 1.00 0.00 H new ATOM 0 HA ILE A 56 172.827 -7.508 2.062 1.00 0.00 H new ATOM 0 HB ILE A 56 173.665 -4.999 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.332 -6.925 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.985 -5.256 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.912 -6.586 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.164 -6.923 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.256 -7.941 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 56 177.233 -5.483 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 56 176.205 -4.503 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.557 -6.199 3.936 1.00 0.00 H new ATOM 795 N THR A 57 171.057 -7.406 3.878 1.00 0.00 N ATOM 796 CA THR A 57 169.856 -7.419 4.707 1.00 0.00 C ATOM 797 C THR A 57 170.160 -7.966 6.099 1.00 0.00 C ATOM 798 O THR A 57 169.338 -8.662 6.695 1.00 0.00 O ATOM 799 CB THR A 57 168.762 -8.261 4.046 1.00 0.00 C ATOM 800 OG1 THR A 57 169.009 -9.642 4.236 1.00 0.00 O ATOM 801 CG2 THR A 57 168.634 -8.020 2.557 1.00 0.00 C ATOM 0 H THR A 57 171.594 -8.273 3.901 1.00 0.00 H new ATOM 0 HA THR A 57 169.505 -6.392 4.807 1.00 0.00 H new ATOM 0 HB THR A 57 167.834 -7.954 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 57 168.826 -9.882 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.841 -8.649 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 57 168.393 -6.972 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 57 169.576 -8.265 2.066 1.00 0.00 H new ATOM 809 N LYS A 58 171.345 -7.649 6.611 1.00 0.00 N ATOM 810 CA LYS A 58 171.753 -8.111 7.933 1.00 0.00 C ATOM 811 C LYS A 58 172.888 -7.250 8.485 1.00 0.00 C ATOM 812 O LYS A 58 174.062 -7.530 8.245 1.00 0.00 O ATOM 813 CB LYS A 58 172.193 -9.574 7.871 1.00 0.00 C ATOM 814 CG LYS A 58 172.105 -10.293 9.206 1.00 0.00 C ATOM 815 CD LYS A 58 170.672 -10.353 9.713 1.00 0.00 C ATOM 816 CE LYS A 58 170.407 -9.283 10.759 1.00 0.00 C ATOM 817 NZ LYS A 58 168.999 -8.799 10.715 1.00 0.00 N ATOM 0 H LYS A 58 172.039 -7.075 6.131 1.00 0.00 H new ATOM 0 HA LYS A 58 170.896 -8.024 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 58 171.575 -10.100 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 58 173.220 -9.621 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 58 172.498 -11.304 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 58 172.730 -9.781 9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 58 169.984 -10.225 8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 58 170.477 -11.337 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 58 170.622 -9.683 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 58 171.084 -8.444 10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 168.859 -8.070 11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 168.800 -8.394 9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 168.353 -9.594 10.893 1.00 0.00 H new ATOM 831 N PRO A 59 172.552 -6.186 9.235 1.00 0.00 N ATOM 832 CA PRO A 59 173.551 -5.284 9.820 1.00 0.00 C ATOM 833 C PRO A 59 174.549 -6.013 10.708 1.00 0.00 C ATOM 834 O PRO A 59 174.383 -7.194 11.013 1.00 0.00 O ATOM 835 CB PRO A 59 172.717 -4.316 10.667 1.00 0.00 C ATOM 836 CG PRO A 59 171.348 -4.374 10.083 1.00 0.00 C ATOM 837 CD PRO A 59 171.176 -5.776 9.570 1.00 0.00 C ATOM 0 HA PRO A 59 174.147 -4.799 9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.712 -4.613 11.716 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.122 -3.305 10.624 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.593 -4.138 10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.236 -3.647 9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.734 -6.428 10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.523 -5.808 8.698 1.00 0.00 H new ATOM 845 N LYS A 60 175.575 -5.289 11.134 1.00 0.00 N ATOM 846 CA LYS A 60 176.597 -5.846 12.011 1.00 0.00 C ATOM 847 C LYS A 60 176.463 -5.246 13.406 1.00 0.00 C ATOM 848 O LYS A 60 177.451 -5.050 14.113 1.00 0.00 O ATOM 849 CB LYS A 60 177.996 -5.574 11.453 1.00 0.00 C ATOM 850 CG LYS A 60 179.024 -6.623 11.850 1.00 0.00 C ATOM 851 CD LYS A 60 180.320 -5.987 12.335 1.00 0.00 C ATOM 852 CE LYS A 60 180.713 -6.500 13.711 1.00 0.00 C ATOM 853 NZ LYS A 60 182.179 -6.394 13.946 1.00 0.00 N ATOM 0 H LYS A 60 175.722 -4.311 10.886 1.00 0.00 H new ATOM 0 HA LYS A 60 176.456 -6.925 12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.941 -5.524 10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.333 -4.597 11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 60 178.613 -7.256 12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 60 179.233 -7.269 10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 60 181.119 -6.200 11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 60 180.204 -4.904 12.369 1.00 0.00 H new ATOM 0 HE2 LYS A 60 180.181 -5.933 14.475 1.00 0.00 H new ATOM 0 HE3 LYS A 60 180.403 -7.540 13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 182.405 -6.754 14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 182.686 -6.955 13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 182.471 -5.398 13.875 1.00 0.00 H new ATOM 867 N GLU A 61 175.221 -4.950 13.781 1.00 0.00 N ATOM 868 CA GLU A 61 174.907 -4.360 15.078 1.00 0.00 C ATOM 869 C GLU A 61 175.180 -2.868 15.078 1.00 0.00 C ATOM 870 O GLU A 61 176.283 -2.420 15.394 1.00 0.00 O ATOM 871 CB GLU A 61 175.685 -5.046 16.207 1.00 0.00 C ATOM 872 CG GLU A 61 175.645 -6.564 16.140 1.00 0.00 C ATOM 873 CD GLU A 61 175.850 -7.213 17.494 1.00 0.00 C ATOM 874 OE1 GLU A 61 177.019 -7.342 17.919 1.00 0.00 O ATOM 875 OE2 GLU A 61 174.846 -7.593 18.130 1.00 0.00 O ATOM 0 H GLU A 61 174.404 -5.113 13.193 1.00 0.00 H new ATOM 0 HA GLU A 61 173.843 -4.515 15.258 1.00 0.00 H new ATOM 0 HB2 GLU A 61 176.723 -4.717 16.173 1.00 0.00 H new ATOM 0 HB3 GLU A 61 175.279 -4.722 17.165 1.00 0.00 H new ATOM 0 HG2 GLU A 61 174.686 -6.881 15.731 1.00 0.00 H new ATOM 0 HG3 GLU A 61 176.416 -6.914 15.453 1.00 0.00 H new ATOM 882 N GLY A 62 174.160 -2.105 14.702 1.00 0.00 N ATOM 883 CA GLY A 62 174.296 -0.668 14.642 1.00 0.00 C ATOM 884 C GLY A 62 175.138 -0.228 13.464 1.00 0.00 C ATOM 885 O GLY A 62 175.300 0.968 13.224 1.00 0.00 O ATOM 0 H GLY A 62 173.241 -2.460 14.438 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.308 -0.213 14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 62 174.748 -0.308 15.566 1.00 0.00 H new ATOM 889 N ARG A 63 175.676 -1.196 12.721 1.00 0.00 N ATOM 890 CA ARG A 63 176.503 -0.876 11.561 1.00 0.00 C ATOM 891 C ARG A 63 176.559 -2.033 10.569 1.00 0.00 C ATOM 892 O ARG A 63 176.899 -3.153 10.938 1.00 0.00 O ATOM 893 CB ARG A 63 177.919 -0.511 12.010 1.00 0.00 C ATOM 894 CG ARG A 63 178.681 0.333 11.002 1.00 0.00 C ATOM 895 CD ARG A 63 180.083 0.659 11.492 1.00 0.00 C ATOM 896 NE ARG A 63 180.465 2.035 11.184 1.00 0.00 N ATOM 897 CZ ARG A 63 181.706 2.501 11.298 1.00 0.00 C ATOM 898 NH1 ARG A 63 182.687 1.707 11.708 1.00 0.00 N ATOM 899 NH2 ARG A 63 181.969 3.767 10.999 1.00 0.00 N ATOM 0 H ARG A 63 175.556 -2.193 12.899 1.00 0.00 H new ATOM 0 HA ARG A 63 176.047 -0.024 11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 63 177.863 0.030 12.955 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.478 -1.427 12.200 1.00 0.00 H new ATOM 0 HG2 ARG A 63 178.741 -0.199 10.053 1.00 0.00 H new ATOM 0 HG3 ARG A 63 178.136 1.258 10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 63 180.136 0.501 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 63 180.796 -0.026 11.033 1.00 0.00 H new ATOM 0 HE ARG A 63 179.739 2.675 10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 63 182.492 0.733 11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 63 183.636 2.071 11.793 1.00 0.00 H new ATOM 0 HH21 ARG A 63 181.220 4.382 10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 63 182.920 4.125 11.086 1.00 0.00 H new ATOM 913 N TRP A 64 176.250 -1.754 9.304 1.00 0.00 N ATOM 914 CA TRP A 64 176.299 -2.776 8.276 1.00 0.00 C ATOM 915 C TRP A 64 177.736 -2.989 7.821 1.00 0.00 C ATOM 916 O TRP A 64 178.585 -2.107 7.981 1.00 0.00 O ATOM 917 CB TRP A 64 175.441 -2.392 7.077 1.00 0.00 C ATOM 918 CG TRP A 64 174.030 -2.011 7.423 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.622 -0.949 8.178 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.838 -2.691 7.013 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.252 -0.931 8.262 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.748 -1.989 7.556 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.588 -3.829 6.238 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.429 -2.385 7.348 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.278 -4.222 6.034 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.212 -3.501 6.588 1.00 0.00 C ATOM 0 H TRP A 64 175.965 -0.832 8.974 1.00 0.00 H new ATOM 0 HA TRP A 64 175.907 -3.699 8.702 1.00 0.00 H new ATOM 0 HB2 TRP A 64 175.914 -1.557 6.559 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.418 -3.229 6.379 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.280 -0.229 8.641 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.699 -0.240 8.769 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.404 -4.390 5.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.606 -1.830 7.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.073 -5.099 5.438 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.200 -3.833 6.411 1.00 0.00 H new ATOM 937 N THR A 65 177.998 -4.157 7.257 1.00 0.00 N ATOM 938 CA THR A 65 179.334 -4.493 6.778 1.00 0.00 C ATOM 939 C THR A 65 179.286 -5.121 5.389 1.00 0.00 C ATOM 940 O THR A 65 178.693 -6.181 5.196 1.00 0.00 O ATOM 941 CB THR A 65 180.020 -5.449 7.755 1.00 0.00 C ATOM 942 OG1 THR A 65 179.806 -5.038 9.094 1.00 0.00 O ATOM 943 CG2 THR A 65 181.515 -5.554 7.541 1.00 0.00 C ATOM 0 H THR A 65 177.304 -4.891 7.118 1.00 0.00 H new ATOM 0 HA THR A 65 179.906 -3.568 6.713 1.00 0.00 H new ATOM 0 HB THR A 65 179.573 -6.425 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.484 -5.444 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 65 181.939 -6.248 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 65 181.714 -5.918 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 65 181.971 -4.572 7.669 1.00 0.00 H new ATOM 951 N PHE A 66 179.923 -4.460 4.429 1.00 0.00 N ATOM 952 CA PHE A 66 179.964 -4.956 3.057 1.00 0.00 C ATOM 953 C PHE A 66 181.400 -5.277 2.647 1.00 0.00 C ATOM 954 O PHE A 66 182.085 -4.449 2.046 1.00 0.00 O ATOM 955 CB PHE A 66 179.352 -3.929 2.099 1.00 0.00 C ATOM 956 CG PHE A 66 179.500 -4.291 0.647 1.00 0.00 C ATOM 957 CD1 PHE A 66 179.285 -5.591 0.217 1.00 0.00 C ATOM 958 CD2 PHE A 66 179.857 -3.331 -0.285 1.00 0.00 C ATOM 959 CE1 PHE A 66 179.422 -5.926 -1.116 1.00 0.00 C ATOM 960 CE2 PHE A 66 179.996 -3.660 -1.620 1.00 0.00 C ATOM 961 CZ PHE A 66 179.777 -4.959 -2.036 1.00 0.00 C ATOM 0 H PHE A 66 180.418 -3.580 4.575 1.00 0.00 H new ATOM 0 HA PHE A 66 179.377 -5.873 3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.293 -3.817 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 66 179.820 -2.960 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 66 179.007 -6.351 0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 66 180.029 -2.314 0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 66 179.252 -6.943 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 66 180.276 -2.902 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 66 179.883 -5.218 -3.079 1.00 0.00 H new ATOM 971 N ARG A 67 181.847 -6.482 2.983 1.00 0.00 N ATOM 972 CA ARG A 67 183.198 -6.915 2.659 1.00 0.00 C ATOM 973 C ARG A 67 183.226 -7.698 1.348 1.00 0.00 C ATOM 974 O ARG A 67 182.279 -8.411 1.019 1.00 0.00 O ATOM 975 CB ARG A 67 183.755 -7.779 3.792 1.00 0.00 C ATOM 976 CG ARG A 67 185.222 -8.132 3.620 1.00 0.00 C ATOM 977 CD ARG A 67 185.483 -9.599 3.924 1.00 0.00 C ATOM 978 NE ARG A 67 185.369 -9.890 5.352 1.00 0.00 N ATOM 979 CZ ARG A 67 186.324 -9.635 6.241 1.00 0.00 C ATOM 980 NH1 ARG A 67 187.469 -9.083 5.856 1.00 0.00 N ATOM 981 NH2 ARG A 67 186.136 -9.930 7.520 1.00 0.00 N ATOM 0 H ARG A 67 181.290 -7.177 3.481 1.00 0.00 H new ATOM 0 HA ARG A 67 183.819 -6.027 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 67 183.625 -7.252 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 67 183.173 -8.699 3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 67 185.533 -7.910 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 67 185.827 -7.510 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 67 184.775 -10.216 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 67 186.480 -9.869 3.577 1.00 0.00 H new ATOM 0 HE ARG A 67 184.504 -10.315 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 67 187.619 -8.852 4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 67 188.198 -8.890 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 67 185.258 -10.353 7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 67 186.869 -9.734 8.202 1.00 0.00 H new ATOM 995 N ASP A 68 184.319 -7.557 0.605 1.00 0.00 N ATOM 996 CA ASP A 68 184.476 -8.250 -0.669 1.00 0.00 C ATOM 997 C ASP A 68 185.890 -8.803 -0.817 1.00 0.00 C ATOM 998 O ASP A 68 186.846 -8.049 -0.983 1.00 0.00 O ATOM 999 CB ASP A 68 184.158 -7.304 -1.830 1.00 0.00 C ATOM 1000 CG ASP A 68 182.795 -7.571 -2.436 1.00 0.00 C ATOM 1001 OD1 ASP A 68 181.789 -7.100 -1.865 1.00 0.00 O ATOM 1002 OD2 ASP A 68 182.734 -8.251 -3.483 1.00 0.00 O ATOM 0 H ASP A 68 185.111 -6.968 0.864 1.00 0.00 H new ATOM 0 HA ASP A 68 183.776 -9.086 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 68 184.200 -6.273 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.922 -7.409 -2.600 1.00 0.00 H new ATOM 1007 N ARG A 69 186.012 -10.127 -0.754 1.00 0.00 N ATOM 1008 CA ARG A 69 187.310 -10.785 -0.880 1.00 0.00 C ATOM 1009 C ARG A 69 187.637 -11.106 -2.339 1.00 0.00 C ATOM 1010 O ARG A 69 188.448 -11.988 -2.620 1.00 0.00 O ATOM 1011 CB ARG A 69 187.334 -12.071 -0.050 1.00 0.00 C ATOM 1012 CG ARG A 69 187.214 -11.829 1.447 1.00 0.00 C ATOM 1013 CD ARG A 69 188.092 -12.783 2.242 1.00 0.00 C ATOM 1014 NE ARG A 69 187.303 -13.721 3.037 1.00 0.00 N ATOM 1015 CZ ARG A 69 186.727 -14.813 2.540 1.00 0.00 C ATOM 1016 NH1 ARG A 69 186.845 -15.107 1.251 1.00 0.00 N ATOM 1017 NH2 ARG A 69 186.028 -15.614 3.334 1.00 0.00 N ATOM 0 H ARG A 69 185.228 -10.765 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 69 188.067 -10.096 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 69 186.518 -12.717 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 69 188.262 -12.606 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 69 187.496 -10.801 1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 69 186.175 -11.950 1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 69 188.735 -13.338 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 69 188.746 -12.211 2.900 1.00 0.00 H new ATOM 0 HE ARG A 69 187.187 -13.528 4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 69 187.380 -14.494 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 69 186.401 -15.945 0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 69 185.932 -15.393 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 69 185.586 -16.451 2.953 1.00 0.00 H new ATOM 1031 N ASN A 70 187.005 -10.388 -3.264 1.00 0.00 N ATOM 1032 CA ASN A 70 187.236 -10.603 -4.686 1.00 0.00 C ATOM 1033 C ASN A 70 187.185 -9.284 -5.450 1.00 0.00 C ATOM 1034 O ASN A 70 186.698 -9.226 -6.579 1.00 0.00 O ATOM 1035 CB ASN A 70 186.199 -11.576 -5.254 1.00 0.00 C ATOM 1036 CG ASN A 70 186.615 -13.025 -5.088 1.00 0.00 C ATOM 1037 OD1 ASN A 70 185.867 -13.839 -4.547 1.00 0.00 O ATOM 1038 ND2 ASN A 70 187.813 -13.354 -5.557 1.00 0.00 N ATOM 0 H ASN A 70 186.330 -9.653 -3.052 1.00 0.00 H new ATOM 0 HA ASN A 70 188.230 -11.034 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.243 -11.416 -4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 70 186.046 -11.363 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 70 188.146 -14.315 -5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 70 188.400 -12.646 -5.998 1.00 0.00 H new ATOM 1045 N ALA A 71 187.688 -8.227 -4.825 1.00 0.00 N ATOM 1046 CA ALA A 71 187.700 -6.908 -5.441 1.00 0.00 C ATOM 1047 C ALA A 71 189.063 -6.595 -6.047 1.00 0.00 C ATOM 1048 O ALA A 71 190.089 -6.688 -5.372 1.00 0.00 O ATOM 1049 CB ALA A 71 187.321 -5.844 -4.421 1.00 0.00 C ATOM 0 H ALA A 71 188.094 -8.259 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 71 186.964 -6.906 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.334 -4.863 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.321 -6.048 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.035 -5.858 -3.598 1.00 0.00 H new ATOM 1055 N LYS A 72 189.068 -6.223 -7.323 1.00 0.00 N ATOM 1056 CA LYS A 72 190.308 -5.894 -8.014 1.00 0.00 C ATOM 1057 C LYS A 72 190.764 -4.482 -7.662 1.00 0.00 C ATOM 1058 O LYS A 72 190.619 -3.554 -8.457 1.00 0.00 O ATOM 1059 CB LYS A 72 190.124 -6.021 -9.529 1.00 0.00 C ATOM 1060 CG LYS A 72 191.430 -5.976 -10.307 1.00 0.00 C ATOM 1061 CD LYS A 72 192.029 -7.365 -10.470 1.00 0.00 C ATOM 1062 CE LYS A 72 191.765 -7.927 -11.857 1.00 0.00 C ATOM 1063 NZ LYS A 72 192.164 -9.358 -11.961 1.00 0.00 N ATOM 0 H LYS A 72 188.229 -6.142 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 72 191.075 -6.598 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 72 189.613 -6.959 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 72 189.476 -5.216 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 72 191.255 -5.536 -11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 72 192.140 -5.330 -9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 72 193.104 -7.322 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 72 191.608 -8.034 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 72 190.706 -7.827 -12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 72 192.313 -7.343 -12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 191.968 -9.704 -12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 193.180 -9.451 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 191.623 -9.920 -11.274 1.00 0.00 H new ATOM 1077 N LEU A 73 191.314 -4.328 -6.463 1.00 0.00 N ATOM 1078 CA LEU A 73 191.791 -3.028 -6.002 1.00 0.00 C ATOM 1079 C LEU A 73 193.306 -2.930 -6.134 1.00 0.00 C ATOM 1080 O LEU A 73 194.037 -3.823 -5.704 1.00 0.00 O ATOM 1081 CB LEU A 73 191.378 -2.796 -4.547 1.00 0.00 C ATOM 1082 CG LEU A 73 189.907 -2.433 -4.342 1.00 0.00 C ATOM 1083 CD1 LEU A 73 189.509 -2.617 -2.886 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.646 -1.004 -4.793 1.00 0.00 C ATOM 0 H LEU A 73 191.441 -5.086 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 73 191.338 -2.259 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 73 191.597 -3.698 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.994 -1.998 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 73 189.298 -3.103 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 73 188.459 -2.354 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 73 189.660 -3.657 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.123 -1.972 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.594 -0.761 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 73 190.265 -0.320 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.892 -0.906 -5.850 1.00 0.00 H new ATOM 1096 N LYS A 74 193.774 -1.839 -6.732 1.00 0.00 N ATOM 1097 CA LYS A 74 195.203 -1.626 -6.921 1.00 0.00 C ATOM 1098 C LYS A 74 195.657 -0.339 -6.242 1.00 0.00 C ATOM 1099 O LYS A 74 194.870 0.587 -6.052 1.00 0.00 O ATOM 1100 CB LYS A 74 195.540 -1.582 -8.413 1.00 0.00 C ATOM 1101 CG LYS A 74 196.607 -2.582 -8.825 1.00 0.00 C ATOM 1102 CD LYS A 74 196.931 -2.471 -10.306 1.00 0.00 C ATOM 1103 CE LYS A 74 195.862 -3.131 -11.160 1.00 0.00 C ATOM 1104 NZ LYS A 74 196.443 -3.819 -12.346 1.00 0.00 N ATOM 0 H LYS A 74 193.184 -1.090 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 74 195.734 -2.460 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 74 194.634 -1.773 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 74 195.876 -0.578 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 74 197.511 -2.413 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 74 196.266 -3.593 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 74 197.022 -1.420 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 74 197.896 -2.937 -10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 74 195.310 -3.852 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 74 195.147 -2.378 -11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 195.680 -4.256 -12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 196.949 -3.127 -12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 197.106 -4.555 -12.030 1.00 0.00 H new ATOM 1118 N LEU A 75 196.931 -0.293 -5.873 1.00 0.00 N ATOM 1119 CA LEU A 75 197.499 0.873 -5.208 1.00 0.00 C ATOM 1120 C LEU A 75 197.422 2.108 -6.096 1.00 0.00 C ATOM 1121 O LEU A 75 197.788 2.066 -7.271 1.00 0.00 O ATOM 1122 CB LEU A 75 198.957 0.595 -4.821 1.00 0.00 C ATOM 1123 CG LEU A 75 199.367 1.051 -3.419 1.00 0.00 C ATOM 1124 CD1 LEU A 75 199.438 2.568 -3.351 1.00 0.00 C ATOM 1125 CD2 LEU A 75 198.403 0.507 -2.372 1.00 0.00 C ATOM 0 H LEU A 75 197.593 -1.054 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 75 196.916 1.068 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.138 -0.477 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.607 1.084 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 75 200.359 0.653 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 75 199.731 2.874 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 75 200.173 2.930 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 75 198.461 2.989 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 75 198.713 0.843 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 75 197.397 0.871 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.409 -0.583 -2.403 1.00 0.00 H new ATOM 1137 N GLY A 76 196.946 3.208 -5.523 1.00 0.00 N ATOM 1138 CA GLY A 76 196.830 4.444 -6.270 1.00 0.00 C ATOM 1139 C GLY A 76 195.457 4.625 -6.881 1.00 0.00 C ATOM 1140 O GLY A 76 195.019 5.751 -7.120 1.00 0.00 O ATOM 0 H GLY A 76 196.638 3.264 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.044 5.285 -5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.581 4.459 -7.060 1.00 0.00 H new ATOM 1144 N ASP A 77 194.777 3.514 -7.143 1.00 0.00 N ATOM 1145 CA ASP A 77 193.451 3.550 -7.736 1.00 0.00 C ATOM 1146 C ASP A 77 192.499 4.411 -6.908 1.00 0.00 C ATOM 1147 O ASP A 77 192.686 4.581 -5.701 1.00 0.00 O ATOM 1148 CB ASP A 77 192.893 2.133 -7.872 1.00 0.00 C ATOM 1149 CG ASP A 77 191.559 2.104 -8.590 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.558 2.563 -8.002 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.513 1.618 -9.740 1.00 0.00 O ATOM 0 H ASP A 77 195.127 2.575 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 77 193.538 3.996 -8.727 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.608 1.514 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.779 1.694 -6.881 1.00 0.00 H new ATOM 1156 N LYS A 78 191.477 4.945 -7.568 1.00 0.00 N ATOM 1157 CA LYS A 78 190.487 5.782 -6.904 1.00 0.00 C ATOM 1158 C LYS A 78 189.122 5.103 -6.907 1.00 0.00 C ATOM 1159 O LYS A 78 188.812 4.312 -7.798 1.00 0.00 O ATOM 1160 CB LYS A 78 190.393 7.143 -7.596 1.00 0.00 C ATOM 1161 CG LYS A 78 189.562 8.159 -6.830 1.00 0.00 C ATOM 1162 CD LYS A 78 190.311 8.694 -5.620 1.00 0.00 C ATOM 1163 CE LYS A 78 190.881 10.079 -5.885 1.00 0.00 C ATOM 1164 NZ LYS A 78 192.297 10.020 -6.342 1.00 0.00 N ATOM 0 H LYS A 78 191.313 4.812 -8.566 1.00 0.00 H new ATOM 0 HA LYS A 78 190.802 5.930 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.398 7.540 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.962 7.008 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 78 189.297 8.985 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 78 188.629 7.698 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 78 189.639 8.734 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 78 191.119 8.011 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 78 190.277 10.582 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 78 190.818 10.677 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 192.648 10.984 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 192.879 9.564 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 192.355 9.471 -7.223 1.00 0.00 H new ATOM 1178 N ILE A 79 188.317 5.404 -5.896 1.00 0.00 N ATOM 1179 CA ILE A 79 186.990 4.812 -5.767 1.00 0.00 C ATOM 1180 C ILE A 79 185.877 5.833 -6.007 1.00 0.00 C ATOM 1181 O ILE A 79 186.005 7.006 -5.660 1.00 0.00 O ATOM 1182 CB ILE A 79 186.802 4.108 -4.403 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.171 2.631 -4.541 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.371 4.249 -3.894 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.663 2.378 -4.535 1.00 0.00 C ATOM 0 H ILE A 79 188.560 6.057 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 79 186.916 4.054 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 79 187.458 4.585 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.713 2.072 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.749 2.244 -5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.275 3.743 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.130 5.305 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.684 3.800 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.851 1.309 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 79 189.125 2.909 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 79 189.089 2.734 -3.597 1.00 0.00 H new ATOM 1197 N TYR A 80 184.772 5.355 -6.570 1.00 0.00 N ATOM 1198 CA TYR A 80 183.603 6.192 -6.828 1.00 0.00 C ATOM 1199 C TYR A 80 182.346 5.359 -6.610 1.00 0.00 C ATOM 1200 O TYR A 80 182.215 4.277 -7.184 1.00 0.00 O ATOM 1201 CB TYR A 80 183.642 6.751 -8.252 1.00 0.00 C ATOM 1202 CG TYR A 80 184.635 7.879 -8.423 1.00 0.00 C ATOM 1203 CD1 TYR A 80 184.513 9.053 -7.690 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.696 7.768 -9.312 1.00 0.00 C ATOM 1205 CE1 TYR A 80 185.420 10.085 -7.842 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.607 8.795 -9.468 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.465 9.952 -8.730 1.00 0.00 C ATOM 1208 OH TYR A 80 187.369 10.977 -8.884 1.00 0.00 O ATOM 0 H TYR A 80 184.660 4.383 -6.859 1.00 0.00 H new ATOM 0 HA TYR A 80 183.602 7.039 -6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.893 5.947 -8.944 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.648 7.107 -8.523 1.00 0.00 H new ATOM 0 HD1 TYR A 80 183.697 9.161 -6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 80 185.811 6.864 -9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 80 185.310 10.992 -7.267 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.426 8.693 -10.164 1.00 0.00 H new ATOM 0 HH TYR A 80 188.044 10.721 -9.547 1.00 0.00 H new ATOM 1218 N PHE A 81 181.433 5.826 -5.754 1.00 0.00 N ATOM 1219 CA PHE A 81 180.234 5.044 -5.473 1.00 0.00 C ATOM 1220 C PHE A 81 179.097 5.858 -4.878 1.00 0.00 C ATOM 1221 O PHE A 81 179.174 7.077 -4.720 1.00 0.00 O ATOM 1222 CB PHE A 81 180.569 3.929 -4.483 1.00 0.00 C ATOM 1223 CG PHE A 81 181.252 4.422 -3.239 1.00 0.00 C ATOM 1224 CD1 PHE A 81 182.525 4.965 -3.292 1.00 0.00 C ATOM 1225 CD2 PHE A 81 180.609 4.348 -2.014 1.00 0.00 C ATOM 1226 CE1 PHE A 81 183.144 5.426 -2.145 1.00 0.00 C ATOM 1227 CE2 PHE A 81 181.222 4.808 -0.865 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.491 5.348 -0.930 1.00 0.00 C ATOM 0 H PHE A 81 181.499 6.715 -5.258 1.00 0.00 H new ATOM 0 HA PHE A 81 179.901 4.655 -6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.650 3.413 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.210 3.197 -4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 81 183.040 5.029 -4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 81 179.617 3.926 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 81 184.137 5.847 -2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 81 180.709 4.745 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 81 182.972 5.709 -0.033 1.00 0.00 H new ATOM 1238 N TRP A 82 178.057 5.118 -4.515 1.00 0.00 N ATOM 1239 CA TRP A 82 176.867 5.661 -3.880 1.00 0.00 C ATOM 1240 C TRP A 82 176.250 4.573 -3.012 1.00 0.00 C ATOM 1241 O TRP A 82 176.141 3.424 -3.441 1.00 0.00 O ATOM 1242 CB TRP A 82 175.858 6.179 -4.915 1.00 0.00 C ATOM 1243 CG TRP A 82 175.265 5.117 -5.792 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.794 4.618 -6.945 1.00 0.00 C ATOM 1245 CD2 TRP A 82 174.016 4.439 -5.600 1.00 0.00 C ATOM 1246 NE1 TRP A 82 174.957 3.671 -7.482 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.860 3.541 -6.674 1.00 0.00 C ATOM 1248 CE3 TRP A 82 173.018 4.502 -4.625 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.747 2.716 -6.799 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.912 3.680 -4.750 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.785 2.796 -5.829 1.00 0.00 C ATOM 0 H TRP A 82 178.018 4.109 -4.656 1.00 0.00 H new ATOM 0 HA TRP A 82 177.145 6.516 -3.264 1.00 0.00 H new ATOM 0 HB2 TRP A 82 175.051 6.692 -4.392 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.351 6.919 -5.545 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.737 4.924 -7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.125 3.150 -8.342 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.108 5.180 -3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.646 2.036 -7.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 171.133 3.721 -4.003 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.911 2.165 -5.897 1.00 0.00 H new ATOM 1262 N THR A 83 175.871 4.918 -1.787 1.00 0.00 N ATOM 1263 CA THR A 83 175.300 3.923 -0.880 1.00 0.00 C ATOM 1264 C THR A 83 173.786 4.016 -0.854 1.00 0.00 C ATOM 1265 O THR A 83 173.220 5.017 -1.261 1.00 0.00 O ATOM 1266 CB THR A 83 175.862 4.099 0.533 1.00 0.00 C ATOM 1267 OG1 THR A 83 176.374 5.405 0.711 1.00 0.00 O ATOM 1268 CG2 THR A 83 176.970 3.123 0.862 1.00 0.00 C ATOM 0 H THR A 83 175.945 5.860 -1.402 1.00 0.00 H new ATOM 0 HA THR A 83 175.577 2.935 -1.249 1.00 0.00 H new ATOM 0 HB THR A 83 175.022 3.910 1.202 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.727 5.497 1.621 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.323 3.302 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 83 176.592 2.104 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.794 3.259 0.162 1.00 0.00 H new ATOM 1276 N TYR A 84 173.135 2.956 -0.391 1.00 0.00 N ATOM 1277 CA TYR A 84 171.687 2.922 -0.333 1.00 0.00 C ATOM 1278 C TYR A 84 171.215 2.225 0.937 1.00 0.00 C ATOM 1279 O TYR A 84 171.766 1.203 1.331 1.00 0.00 O ATOM 1280 CB TYR A 84 171.150 2.191 -1.559 1.00 0.00 C ATOM 1281 CG TYR A 84 169.643 2.218 -1.684 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.920 3.359 -1.360 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.945 1.104 -2.132 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.543 3.388 -1.479 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.568 1.126 -2.254 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.872 2.270 -1.926 1.00 0.00 C ATOM 1287 OH TYR A 84 165.503 2.295 -2.046 1.00 0.00 O ATOM 0 H TYR A 84 173.592 2.110 -0.051 1.00 0.00 H new ATOM 0 HA TYR A 84 171.310 3.945 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.586 2.636 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.482 1.153 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.442 4.237 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.487 0.206 -2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.995 4.283 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 84 167.040 0.251 -2.604 1.00 0.00 H new ATOM 0 HH TYR A 84 165.185 1.417 -2.344 1.00 0.00 H new ATOM 1297 N VAL A 85 170.189 2.783 1.566 1.00 0.00 N ATOM 1298 CA VAL A 85 169.638 2.206 2.787 1.00 0.00 C ATOM 1299 C VAL A 85 168.113 2.195 2.715 1.00 0.00 C ATOM 1300 O VAL A 85 167.523 2.922 1.918 1.00 0.00 O ATOM 1301 CB VAL A 85 170.109 2.969 4.062 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.982 4.159 3.698 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.935 3.426 4.920 1.00 0.00 C ATOM 0 H VAL A 85 169.721 3.633 1.252 1.00 0.00 H new ATOM 0 HA VAL A 85 170.009 1.184 2.864 1.00 0.00 H new ATOM 0 HB VAL A 85 170.700 2.265 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.296 4.672 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.861 3.813 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.416 4.847 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.309 3.953 5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.298 4.094 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.357 2.558 5.237 1.00 0.00 H new ATOM 1313 N ILE A 86 167.484 1.381 3.559 1.00 0.00 N ATOM 1314 CA ILE A 86 166.025 1.291 3.598 1.00 0.00 C ATOM 1315 C ILE A 86 165.527 1.262 5.031 1.00 0.00 C ATOM 1316 O ILE A 86 165.738 0.284 5.742 1.00 0.00 O ATOM 1317 CB ILE A 86 165.500 0.035 2.883 1.00 0.00 C ATOM 1318 CG1 ILE A 86 166.027 -0.021 1.459 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.976 0.011 2.889 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.511 1.086 0.576 1.00 0.00 C ATOM 0 H ILE A 86 167.961 0.774 4.226 1.00 0.00 H new ATOM 0 HA ILE A 86 165.651 2.175 3.081 1.00 0.00 H new ATOM 0 HB ILE A 86 165.858 -0.843 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.116 0.023 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.756 -0.981 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.624 -0.885 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.616 0.007 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.596 0.894 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 86 165.931 0.979 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.424 1.031 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.805 2.050 0.992 1.00 0.00 H new ATOM 1332 N LYS A 87 164.861 2.334 5.440 1.00 0.00 N ATOM 1333 CA LYS A 87 164.321 2.436 6.790 1.00 0.00 C ATOM 1334 C LYS A 87 162.805 2.257 6.781 1.00 0.00 C ATOM 1335 O LYS A 87 162.057 3.196 7.054 1.00 0.00 O ATOM 1336 CB LYS A 87 164.685 3.789 7.403 1.00 0.00 C ATOM 1337 CG LYS A 87 164.527 3.838 8.914 1.00 0.00 C ATOM 1338 CD LYS A 87 164.450 5.269 9.418 1.00 0.00 C ATOM 1339 CE LYS A 87 165.054 5.409 10.807 1.00 0.00 C ATOM 1340 NZ LYS A 87 164.062 5.917 11.794 1.00 0.00 N ATOM 0 H LYS A 87 164.681 3.149 4.853 1.00 0.00 H new ATOM 0 HA LYS A 87 164.759 1.642 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.717 4.028 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.058 4.561 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 87 163.625 3.299 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.368 3.329 9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 87 164.974 5.928 8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 87 163.409 5.592 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 87 165.433 4.442 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 87 165.906 6.088 10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 164.512 5.999 12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 163.719 6.851 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 163.261 5.257 11.852 1.00 0.00 H new ATOM 1354 N ASP A 88 162.359 1.044 6.466 1.00 0.00 N ATOM 1355 CA ASP A 88 160.933 0.743 6.422 1.00 0.00 C ATOM 1356 C ASP A 88 160.228 1.603 5.376 1.00 0.00 C ATOM 1357 O ASP A 88 159.273 2.317 5.684 1.00 0.00 O ATOM 1358 CB ASP A 88 160.302 0.967 7.798 1.00 0.00 C ATOM 1359 CG ASP A 88 159.250 -0.075 8.128 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.088 0.101 7.708 1.00 0.00 O ATOM 1361 OD2 ASP A 88 159.590 -1.066 8.808 1.00 0.00 O ATOM 0 H ASP A 88 162.964 0.255 6.238 1.00 0.00 H new ATOM 0 HA ASP A 88 160.814 -0.304 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 88 161.081 0.947 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 88 159.850 1.958 7.831 1.00 0.00 H new ATOM 1366 N GLY A 89 160.707 1.532 4.138 1.00 0.00 N ATOM 1367 CA GLY A 89 160.112 2.310 3.067 1.00 0.00 C ATOM 1368 C GLY A 89 160.612 3.742 3.045 1.00 0.00 C ATOM 1369 O GLY A 89 159.906 4.647 2.601 1.00 0.00 O ATOM 0 H GLY A 89 161.496 0.950 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.334 1.836 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 89 159.028 2.308 3.180 1.00 0.00 H new ATOM 1373 N LEU A 90 161.834 3.945 3.526 1.00 0.00 N ATOM 1374 CA LEU A 90 162.436 5.275 3.564 1.00 0.00 C ATOM 1375 C LEU A 90 163.924 5.185 3.283 1.00 0.00 C ATOM 1376 O LEU A 90 164.752 5.276 4.191 1.00 0.00 O ATOM 1377 CB LEU A 90 162.194 5.924 4.924 1.00 0.00 C ATOM 1378 CG LEU A 90 160.817 5.647 5.511 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.763 6.048 6.977 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.750 6.375 4.709 1.00 0.00 C ATOM 0 H LEU A 90 162.429 3.204 3.896 1.00 0.00 H new ATOM 0 HA LEU A 90 161.972 5.892 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.952 5.571 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.326 7.002 4.828 1.00 0.00 H new ATOM 0 HG LEU A 90 160.623 4.576 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.769 5.841 7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.504 5.478 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.977 7.113 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.769 6.170 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.941 7.448 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.773 6.030 3.675 1.00 0.00 H new ATOM 1392 N GLY A 91 164.253 4.975 2.021 1.00 0.00 N ATOM 1393 CA GLY A 91 165.629 4.837 1.627 1.00 0.00 C ATOM 1394 C GLY A 91 166.358 6.150 1.432 1.00 0.00 C ATOM 1395 O GLY A 91 165.744 7.201 1.239 1.00 0.00 O ATOM 0 H GLY A 91 163.581 4.898 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.154 4.253 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.673 4.269 0.698 1.00 0.00 H new ATOM 1399 N TYR A 92 167.681 6.065 1.470 1.00 0.00 N ATOM 1400 CA TYR A 92 168.556 7.221 1.288 1.00 0.00 C ATOM 1401 C TYR A 92 169.889 6.756 0.711 1.00 0.00 C ATOM 1402 O TYR A 92 170.277 5.605 0.908 1.00 0.00 O ATOM 1403 CB TYR A 92 168.776 7.939 2.620 1.00 0.00 C ATOM 1404 CG TYR A 92 167.500 8.174 3.396 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.581 9.133 2.987 1.00 0.00 C ATOM 1406 CD2 TYR A 92 167.212 7.434 4.536 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.413 9.348 3.694 1.00 0.00 C ATOM 1408 CE2 TYR A 92 166.045 7.642 5.247 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.150 8.600 4.822 1.00 0.00 C ATOM 1410 OH TYR A 92 163.987 8.812 5.529 1.00 0.00 O ATOM 0 H TYR A 92 168.182 5.191 1.628 1.00 0.00 H new ATOM 0 HA TYR A 92 168.087 7.922 0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.461 7.352 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.259 8.898 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 92 166.783 9.719 2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.912 6.683 4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.710 10.098 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.836 7.057 6.130 1.00 0.00 H new ATOM 0 HH TYR A 92 163.954 8.202 6.296 1.00 0.00 H new ATOM 1420 N ARG A 93 170.586 7.625 -0.018 1.00 0.00 N ATOM 1421 CA ARG A 93 171.851 7.230 -0.610 1.00 0.00 C ATOM 1422 C ARG A 93 172.934 8.279 -0.446 1.00 0.00 C ATOM 1423 O ARG A 93 172.678 9.482 -0.494 1.00 0.00 O ATOM 1424 CB ARG A 93 171.664 6.941 -2.095 1.00 0.00 C ATOM 1425 CG ARG A 93 171.250 8.158 -2.908 1.00 0.00 C ATOM 1426 CD ARG A 93 169.782 8.502 -2.698 1.00 0.00 C ATOM 1427 NE ARG A 93 169.021 8.438 -3.943 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.452 7.329 -4.414 1.00 0.00 C ATOM 1429 NH1 ARG A 93 168.552 6.186 -3.748 1.00 0.00 N ATOM 1430 NH2 ARG A 93 167.779 7.366 -5.556 1.00 0.00 N ATOM 0 H ARG A 93 170.300 8.586 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 93 172.175 6.334 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.596 6.545 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.910 6.163 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 93 171.868 9.011 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.432 7.968 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 93 169.349 7.814 -1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.701 9.503 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 93 168.919 9.296 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 93 169.067 6.152 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 93 168.113 5.342 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 93 167.698 8.242 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 93 167.343 6.518 -5.918 1.00 0.00 H new ATOM 1444 N GLN A 94 174.161 7.797 -0.303 1.00 0.00 N ATOM 1445 CA GLN A 94 175.318 8.661 -0.189 1.00 0.00 C ATOM 1446 C GLN A 94 176.070 8.633 -1.506 1.00 0.00 C ATOM 1447 O GLN A 94 177.100 7.970 -1.633 1.00 0.00 O ATOM 1448 CB GLN A 94 176.233 8.214 0.951 1.00 0.00 C ATOM 1449 CG GLN A 94 177.041 9.352 1.552 1.00 0.00 C ATOM 1450 CD GLN A 94 178.390 8.897 2.073 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.492 7.884 2.765 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.437 9.644 1.740 1.00 0.00 N ATOM 0 H GLN A 94 174.377 6.801 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 94 174.988 9.675 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.630 7.753 1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.915 7.448 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.189 10.125 0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 94 176.475 9.804 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.307 10.476 1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.370 9.385 2.060 1.00 0.00 H new ATOM 1461 N ASP A 95 175.517 9.326 -2.491 1.00 0.00 N ATOM 1462 CA ASP A 95 176.105 9.371 -3.822 1.00 0.00 C ATOM 1463 C ASP A 95 177.286 10.326 -3.879 1.00 0.00 C ATOM 1464 O ASP A 95 177.593 11.018 -2.908 1.00 0.00 O ATOM 1465 CB ASP A 95 175.056 9.791 -4.850 1.00 0.00 C ATOM 1466 CG ASP A 95 174.384 11.100 -4.487 1.00 0.00 C ATOM 1467 OD1 ASP A 95 175.102 12.102 -4.293 1.00 0.00 O ATOM 1468 OD2 ASP A 95 173.138 11.123 -4.396 1.00 0.00 O ATOM 0 H ASP A 95 174.658 9.867 -2.393 1.00 0.00 H new ATOM 0 HA ASP A 95 176.465 8.369 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.527 9.887 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.301 9.009 -4.935 1.00 0.00 H new ATOM 1473 N ASN A 96 177.946 10.356 -5.031 1.00 0.00 N ATOM 1474 CA ASN A 96 179.099 11.220 -5.232 1.00 0.00 C ATOM 1475 C ASN A 96 180.213 10.879 -4.244 1.00 0.00 C ATOM 1476 O ASN A 96 181.120 11.680 -4.019 1.00 0.00 O ATOM 1477 CB ASN A 96 178.682 12.685 -5.083 1.00 0.00 C ATOM 1478 CG ASN A 96 179.832 13.648 -5.300 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.278 14.321 -4.371 1.00 0.00 O ATOM 1480 ND2 ASN A 96 180.321 13.720 -6.533 1.00 0.00 N ATOM 0 H ASN A 96 177.700 9.789 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 96 179.482 11.060 -6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.889 12.907 -5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.267 12.840 -4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 96 181.096 14.351 -6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.922 13.144 -7.274 1.00 0.00 H new ATOM 1487 N GLY A 97 180.145 9.684 -3.662 1.00 0.00 N ATOM 1488 CA GLY A 97 181.165 9.272 -2.718 1.00 0.00 C ATOM 1489 C GLY A 97 182.449 8.880 -3.408 1.00 0.00 C ATOM 1490 O GLY A 97 182.459 8.607 -4.609 1.00 0.00 O ATOM 0 H GLY A 97 179.407 9.000 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.362 10.085 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.797 8.430 -2.131 1.00 0.00 H new ATOM 1494 N GLU A 98 183.533 8.855 -2.653 1.00 0.00 N ATOM 1495 CA GLU A 98 184.833 8.494 -3.204 1.00 0.00 C ATOM 1496 C GLU A 98 185.756 7.934 -2.129 1.00 0.00 C ATOM 1497 O GLU A 98 185.722 8.365 -0.977 1.00 0.00 O ATOM 1498 CB GLU A 98 185.480 9.714 -3.864 1.00 0.00 C ATOM 1499 CG GLU A 98 186.783 9.401 -4.581 1.00 0.00 C ATOM 1500 CD GLU A 98 187.773 10.548 -4.520 1.00 0.00 C ATOM 1501 OE1 GLU A 98 188.464 10.683 -3.489 1.00 0.00 O ATOM 1502 OE2 GLU A 98 187.856 11.312 -5.505 1.00 0.00 O ATOM 0 H GLU A 98 183.542 9.079 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 98 184.676 7.717 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 98 184.778 10.146 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 98 185.667 10.471 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 98 187.233 8.513 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.572 9.164 -5.624 1.00 0.00 H new ATOM 1509 N TRP A 99 186.590 6.976 -2.519 1.00 0.00 N ATOM 1510 CA TRP A 99 187.538 6.359 -1.601 1.00 0.00 C ATOM 1511 C TRP A 99 188.868 6.105 -2.312 1.00 0.00 C ATOM 1512 O TRP A 99 188.952 6.199 -3.536 1.00 0.00 O ATOM 1513 CB TRP A 99 186.965 5.059 -1.035 1.00 0.00 C ATOM 1514 CG TRP A 99 187.906 4.347 -0.115 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.358 4.777 1.099 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.517 3.079 -0.347 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.222 3.850 1.633 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.332 2.797 0.763 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.451 2.155 -1.387 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.078 1.627 0.855 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.187 0.994 -1.296 1.00 0.00 C ATOM 1522 CH2 TRP A 99 189.993 0.739 -0.183 1.00 0.00 C ATOM 0 H TRP A 99 186.628 6.609 -3.470 1.00 0.00 H new ATOM 0 HA TRP A 99 187.717 7.039 -0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.042 5.280 -0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.704 4.396 -1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.078 5.708 1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.702 3.933 2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.832 2.346 -2.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.701 1.426 1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 189.140 0.270 -2.096 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.561 -0.179 -0.141 1.00 0.00 H new ATOM 1533 N THR A 100 189.913 5.817 -1.541 1.00 0.00 N ATOM 1534 CA THR A 100 191.239 5.591 -2.107 1.00 0.00 C ATOM 1535 C THR A 100 191.694 4.139 -1.986 1.00 0.00 C ATOM 1536 O THR A 100 191.186 3.376 -1.163 1.00 0.00 O ATOM 1537 CB THR A 100 192.254 6.481 -1.388 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.440 6.611 -2.153 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.646 5.959 -0.013 1.00 0.00 C ATOM 0 H THR A 100 189.867 5.735 -0.525 1.00 0.00 H new ATOM 0 HA THR A 100 191.179 5.834 -3.168 1.00 0.00 H new ATOM 0 HB THR A 100 191.757 7.443 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 100 193.941 7.397 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.368 6.637 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.760 5.896 0.619 1.00 0.00 H new ATOM 0 HG23 THR A 100 193.091 4.969 -0.113 1.00 0.00 H new ATOM 1547 N VAL A 101 192.693 3.791 -2.790 1.00 0.00 N ATOM 1548 CA VAL A 101 193.282 2.455 -2.766 1.00 0.00 C ATOM 1549 C VAL A 101 194.791 2.546 -2.530 1.00 0.00 C ATOM 1550 O VAL A 101 195.516 1.567 -2.694 1.00 0.00 O ATOM 1551 CB VAL A 101 193.032 1.687 -4.080 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.225 0.193 -3.865 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.638 1.976 -4.618 1.00 0.00 C ATOM 0 H VAL A 101 193.115 4.421 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 101 192.802 1.912 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 101 193.757 2.027 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.045 -0.336 -4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.245 0.002 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.523 -0.159 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.484 1.424 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.894 1.668 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.537 3.044 -4.811 1.00 0.00 H new ATOM 1563 N THR A 102 195.260 3.737 -2.157 1.00 0.00 N ATOM 1564 CA THR A 102 196.680 3.968 -1.914 1.00 0.00 C ATOM 1565 C THR A 102 197.148 3.323 -0.610 1.00 0.00 C ATOM 1566 O THR A 102 198.348 3.256 -0.342 1.00 0.00 O ATOM 1567 CB THR A 102 196.971 5.468 -1.881 1.00 0.00 C ATOM 1568 OG1 THR A 102 195.974 6.190 -2.581 1.00 0.00 O ATOM 1569 CG2 THR A 102 198.310 5.831 -2.487 1.00 0.00 C ATOM 0 H THR A 102 194.672 4.559 -2.017 1.00 0.00 H new ATOM 0 HA THR A 102 197.231 3.505 -2.733 1.00 0.00 H new ATOM 0 HB THR A 102 196.983 5.735 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 102 195.121 6.116 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 102 198.454 6.910 -2.432 1.00 0.00 H new ATOM 0 HG22 THR A 102 199.106 5.330 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 102 198.335 5.515 -3.530 1.00 0.00 H new ATOM 1577 N GLU A 103 196.206 2.849 0.197 1.00 0.00 N ATOM 1578 CA GLU A 103 196.544 2.215 1.466 1.00 0.00 C ATOM 1579 C GLU A 103 195.981 0.800 1.531 1.00 0.00 C ATOM 1580 O GLU A 103 194.868 0.546 1.076 1.00 0.00 O ATOM 1581 CB GLU A 103 196.011 3.045 2.635 1.00 0.00 C ATOM 1582 CG GLU A 103 196.847 4.279 2.935 1.00 0.00 C ATOM 1583 CD GLU A 103 196.003 5.481 3.310 1.00 0.00 C ATOM 1584 OE1 GLU A 103 195.366 5.447 4.384 1.00 0.00 O ATOM 1585 OE2 GLU A 103 195.977 6.455 2.530 1.00 0.00 O ATOM 0 H GLU A 103 195.207 2.891 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 103 197.630 2.159 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 103 194.989 3.353 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 103 195.970 2.418 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 103 197.537 4.056 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 103 197.452 4.523 2.062 1.00 0.00 H new ATOM 1592 N PHE A 104 196.757 -0.117 2.102 1.00 0.00 N ATOM 1593 CA PHE A 104 196.330 -1.505 2.226 1.00 0.00 C ATOM 1594 C PHE A 104 196.334 -1.934 3.688 1.00 0.00 C ATOM 1595 O PHE A 104 197.321 -1.739 4.399 1.00 0.00 O ATOM 1596 CB PHE A 104 197.245 -2.421 1.410 1.00 0.00 C ATOM 1597 CG PHE A 104 196.864 -2.523 -0.041 1.00 0.00 C ATOM 1598 CD1 PHE A 104 195.566 -2.839 -0.412 1.00 0.00 C ATOM 1599 CD2 PHE A 104 197.805 -2.305 -1.035 1.00 0.00 C ATOM 1600 CE1 PHE A 104 195.214 -2.934 -1.746 1.00 0.00 C ATOM 1601 CE2 PHE A 104 197.459 -2.400 -2.370 1.00 0.00 C ATOM 1602 CZ PHE A 104 196.162 -2.713 -2.726 1.00 0.00 C ATOM 0 H PHE A 104 197.682 0.077 2.485 1.00 0.00 H new ATOM 0 HA PHE A 104 195.315 -1.587 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 104 198.269 -2.054 1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 104 197.232 -3.418 1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 104 194.821 -3.013 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 104 198.821 -2.058 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 104 194.199 -3.181 -2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 104 198.203 -2.229 -3.134 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.889 -2.785 -3.769 1.00 0.00 H new ATOM 1612 N VAL A 105 195.226 -2.513 4.137 1.00 0.00 N ATOM 1613 CA VAL A 105 195.112 -2.959 5.516 1.00 0.00 C ATOM 1614 C VAL A 105 195.376 -4.456 5.636 1.00 0.00 C ATOM 1615 O VAL A 105 195.417 -5.179 4.639 1.00 0.00 O ATOM 1616 CB VAL A 105 193.727 -2.628 6.112 1.00 0.00 C ATOM 1617 CG1 VAL A 105 193.471 -1.129 6.055 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.627 -3.390 5.381 1.00 0.00 C ATOM 0 H VAL A 105 194.398 -2.683 3.566 1.00 0.00 H new ATOM 0 HA VAL A 105 195.870 -2.419 6.084 1.00 0.00 H new ATOM 0 HB VAL A 105 193.718 -2.941 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 105 192.491 -0.911 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 105 194.238 -0.607 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 105 193.501 -0.794 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.660 -3.141 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.631 -3.113 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.803 -4.462 5.475 1.00 0.00 H new ATOM 1628 N ASN A 106 195.564 -4.905 6.867 1.00 0.00 N ATOM 1629 CA ASN A 106 195.835 -6.303 7.159 1.00 0.00 C ATOM 1630 C ASN A 106 194.562 -7.118 7.181 1.00 0.00 C ATOM 1631 O ASN A 106 193.486 -6.603 7.483 1.00 0.00 O ATOM 1632 CB ASN A 106 196.531 -6.415 8.514 1.00 0.00 C ATOM 1633 CG ASN A 106 197.396 -7.653 8.624 1.00 0.00 C ATOM 1634 OD1 ASN A 106 197.340 -8.308 9.776 1.00 0.00 O flip ATOM 1635 ND2 ASN A 106 198.105 -8.016 7.686 1.00 0.00 N flip ATOM 0 H ASN A 106 195.533 -4.308 7.694 1.00 0.00 H new ATOM 0 HA ASN A 106 196.479 -6.695 6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 106 197.147 -5.530 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 106 195.780 -6.430 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 106 198.116 -7.480 6.818 1.00 0.00 H new ATOM 0 HD22 ASN A 106 198.682 -8.852 7.776 1.00 0.00 H new ATOM 1642 N GLU A 107 194.695 -8.412 6.906 1.00 0.00 N ATOM 1643 CA GLU A 107 193.551 -9.305 6.948 1.00 0.00 C ATOM 1644 C GLU A 107 192.910 -9.219 8.329 1.00 0.00 C ATOM 1645 O GLU A 107 191.765 -9.624 8.527 1.00 0.00 O ATOM 1646 CB GLU A 107 193.977 -10.745 6.648 1.00 0.00 C ATOM 1647 CG GLU A 107 194.138 -11.034 5.166 1.00 0.00 C ATOM 1648 CD GLU A 107 192.913 -11.698 4.566 1.00 0.00 C ATOM 1649 OE1 GLU A 107 191.786 -11.320 4.949 1.00 0.00 O ATOM 1650 OE2 GLU A 107 193.081 -12.596 3.715 1.00 0.00 O ATOM 0 H GLU A 107 195.577 -8.859 6.654 1.00 0.00 H new ATOM 0 HA GLU A 107 192.830 -9.005 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 107 194.920 -10.949 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 107 193.237 -11.428 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 107 194.338 -10.102 4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 107 195.005 -11.677 5.017 1.00 0.00 H new ATOM 1657 N ASP A 108 193.668 -8.663 9.281 1.00 0.00 N ATOM 1658 CA ASP A 108 193.188 -8.491 10.642 1.00 0.00 C ATOM 1659 C ASP A 108 192.172 -7.355 10.698 1.00 0.00 C ATOM 1660 O ASP A 108 191.235 -7.388 11.497 1.00 0.00 O ATOM 1661 CB ASP A 108 194.353 -8.201 11.589 1.00 0.00 C ATOM 1662 CG ASP A 108 195.232 -9.417 11.816 1.00 0.00 C ATOM 1663 OD1 ASP A 108 195.638 -10.047 10.819 1.00 0.00 O ATOM 1664 OD2 ASP A 108 195.511 -9.736 12.990 1.00 0.00 O ATOM 0 H ASP A 108 194.618 -8.326 9.125 1.00 0.00 H new ATOM 0 HA ASP A 108 192.706 -9.415 10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 108 194.957 -7.391 11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 108 193.962 -7.855 12.546 1.00 0.00 H new ATOM 1669 N GLY A 109 192.356 -6.356 9.834 1.00 0.00 N ATOM 1670 CA GLY A 109 191.434 -5.237 9.798 1.00 0.00 C ATOM 1671 C GLY A 109 192.084 -3.911 10.141 1.00 0.00 C ATOM 1672 O GLY A 109 191.400 -2.968 10.542 1.00 0.00 O ATOM 0 H GLY A 109 193.123 -6.304 9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 109 190.993 -5.171 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 109 190.618 -5.425 10.496 1.00 0.00 H new ATOM 1676 N THR A 110 193.401 -3.822 9.975 1.00 0.00 N ATOM 1677 CA THR A 110 194.111 -2.580 10.263 1.00 0.00 C ATOM 1678 C THR A 110 195.082 -2.239 9.146 1.00 0.00 C ATOM 1679 O THR A 110 195.369 -3.064 8.291 1.00 0.00 O ATOM 1680 CB THR A 110 194.842 -2.655 11.604 1.00 0.00 C ATOM 1681 OG1 THR A 110 196.165 -3.138 11.436 1.00 0.00 O ATOM 1682 CG2 THR A 110 194.155 -3.543 12.622 1.00 0.00 C ATOM 0 H THR A 110 193.992 -4.586 9.646 1.00 0.00 H new ATOM 0 HA THR A 110 193.368 -1.785 10.329 1.00 0.00 H new ATOM 0 HB THR A 110 194.840 -1.632 11.981 1.00 0.00 H new ATOM 0 HG1 THR A 110 196.613 -3.175 12.307 1.00 0.00 H new ATOM 0 HG21 THR A 110 194.730 -3.548 13.548 1.00 0.00 H new ATOM 0 HG22 THR A 110 193.153 -3.162 12.819 1.00 0.00 H new ATOM 0 HG23 THR A 110 194.087 -4.559 12.232 1.00 0.00 H new ATOM 1690 N PRO A 111 195.600 -1.009 9.135 1.00 0.00 N ATOM 1691 CA PRO A 111 196.530 -0.571 8.103 1.00 0.00 C ATOM 1692 C PRO A 111 197.897 -1.220 8.251 1.00 0.00 C ATOM 1693 O PRO A 111 198.574 -1.050 9.264 1.00 0.00 O ATOM 1694 CB PRO A 111 196.610 0.945 8.300 1.00 0.00 C ATOM 1695 CG PRO A 111 196.199 1.188 9.716 1.00 0.00 C ATOM 1696 CD PRO A 111 195.318 0.037 10.130 1.00 0.00 C ATOM 0 HA PRO A 111 196.196 -0.852 7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 111 197.620 1.311 8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 111 195.951 1.466 7.606 1.00 0.00 H new ATOM 0 HG2 PRO A 111 197.073 1.255 10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 111 195.663 2.133 9.804 1.00 0.00 H new ATOM 0 HD2 PRO A 111 195.552 -0.300 11.140 1.00 0.00 H new ATOM 0 HD3 PRO A 111 194.265 0.319 10.124 1.00 0.00 H new ATOM 1704 N ALA A 112 198.291 -1.977 7.232 1.00 0.00 N ATOM 1705 CA ALA A 112 199.569 -2.666 7.250 1.00 0.00 C ATOM 1706 C ALA A 112 199.857 -3.347 5.917 1.00 0.00 C ATOM 1707 O ALA A 112 199.764 -4.570 5.799 1.00 0.00 O ATOM 1708 CB ALA A 112 199.583 -3.684 8.379 1.00 0.00 C ATOM 0 H ALA A 112 197.742 -2.127 6.386 1.00 0.00 H new ATOM 0 HA ALA A 112 200.354 -1.928 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 112 200.543 -4.200 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 112 199.433 -3.174 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 112 198.783 -4.408 8.226 1.00 0.00 H new ATOM 1714 N ASP A 113 200.211 -2.550 4.915 1.00 0.00 N ATOM 1715 CA ASP A 113 200.518 -3.076 3.591 1.00 0.00 C ATOM 1716 C ASP A 113 201.843 -3.832 3.605 1.00 0.00 C ATOM 1717 O ASP A 113 202.770 -3.467 4.327 1.00 0.00 O ATOM 1718 CB ASP A 113 200.577 -1.940 2.569 1.00 0.00 C ATOM 1719 CG ASP A 113 200.697 -2.451 1.146 1.00 0.00 C ATOM 1720 OD1 ASP A 113 199.948 -3.382 0.783 1.00 0.00 O ATOM 1721 OD2 ASP A 113 201.540 -1.919 0.393 1.00 0.00 O ATOM 0 H ASP A 113 200.292 -1.536 4.995 1.00 0.00 H new ATOM 0 HA ASP A 113 199.725 -3.768 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 113 199.680 -1.327 2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 113 201.427 -1.296 2.794 1.00 0.00 H new ATOM 1726 N THR A 114 201.926 -4.889 2.801 1.00 0.00 N ATOM 1727 CA THR A 114 203.139 -5.694 2.721 1.00 0.00 C ATOM 1728 C THR A 114 204.295 -4.880 2.149 1.00 0.00 C ATOM 1729 O THR A 114 205.377 -4.823 2.733 1.00 0.00 O ATOM 1730 CB THR A 114 202.899 -6.935 1.859 1.00 0.00 C ATOM 1731 OG1 THR A 114 202.558 -6.567 0.534 1.00 0.00 O ATOM 1732 CG2 THR A 114 201.796 -7.825 2.388 1.00 0.00 C ATOM 0 H THR A 114 201.168 -5.207 2.197 1.00 0.00 H new ATOM 0 HA THR A 114 203.403 -6.008 3.731 1.00 0.00 H new ATOM 0 HB THR A 114 203.836 -7.491 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 114 201.584 -6.587 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 114 201.677 -8.686 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 114 202.053 -8.166 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 114 200.862 -7.264 2.424 1.00 0.00 H new ATOM 1740 N SER A 115 204.059 -4.251 1.002 1.00 0.00 N ATOM 1741 CA SER A 115 205.079 -3.440 0.349 1.00 0.00 C ATOM 1742 C SER A 115 205.346 -2.162 1.139 1.00 0.00 C ATOM 1743 O SER A 115 204.537 -1.234 1.128 1.00 0.00 O ATOM 1744 CB SER A 115 204.650 -3.092 -1.077 1.00 0.00 C ATOM 1745 OG SER A 115 204.895 -4.172 -1.962 1.00 0.00 O ATOM 0 H SER A 115 203.169 -4.288 0.505 1.00 0.00 H new ATOM 0 HA SER A 115 206.000 -4.022 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 115 203.589 -2.841 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 115 205.191 -2.209 -1.417 1.00 0.00 H new ATOM 0 HG SER A 115 204.610 -3.925 -2.867 1.00 0.00 H new ATOM 1751 N LEU A 116 206.482 -2.121 1.826 1.00 0.00 N ATOM 1752 CA LEU A 116 206.855 -0.958 2.621 1.00 0.00 C ATOM 1753 C LEU A 116 208.276 -1.097 3.158 1.00 0.00 C ATOM 1754 O LEU A 116 208.483 -1.517 4.296 1.00 0.00 O ATOM 1755 CB LEU A 116 205.874 -0.773 3.781 1.00 0.00 C ATOM 1756 CG LEU A 116 205.571 0.680 4.147 1.00 0.00 C ATOM 1757 CD1 LEU A 116 204.412 1.209 3.317 1.00 0.00 C ATOM 1758 CD2 LEU A 116 205.263 0.801 5.632 1.00 0.00 C ATOM 0 H LEU A 116 207.161 -2.881 1.848 1.00 0.00 H new ATOM 0 HA LEU A 116 206.815 -0.080 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 116 204.938 -1.271 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 116 206.275 -1.277 4.660 1.00 0.00 H new ATOM 0 HG LEU A 116 206.453 1.282 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 116 204.211 2.245 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 116 204.669 1.157 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 116 203.524 0.605 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 116 205.050 1.842 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 116 204.396 0.186 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 116 206.122 0.462 6.211 1.00 0.00 H new ATOM 1770 N GLU A 117 209.253 -0.741 2.329 1.00 0.00 N ATOM 1771 CA GLU A 117 210.656 -0.827 2.719 1.00 0.00 C ATOM 1772 C GLU A 117 211.055 -2.272 3.009 1.00 0.00 C ATOM 1773 O GLU A 117 210.237 -3.071 3.464 1.00 0.00 O ATOM 1774 CB GLU A 117 210.921 0.047 3.949 1.00 0.00 C ATOM 1775 CG GLU A 117 211.468 1.423 3.612 1.00 0.00 C ATOM 1776 CD GLU A 117 211.475 2.356 4.807 1.00 0.00 C ATOM 1777 OE1 GLU A 117 211.406 1.858 5.950 1.00 0.00 O ATOM 1778 OE2 GLU A 117 211.550 3.586 4.600 1.00 0.00 O ATOM 0 H GLU A 117 209.099 -0.391 1.384 1.00 0.00 H new ATOM 0 HA GLU A 117 211.260 -0.464 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 117 209.993 0.162 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 117 211.627 -0.465 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 117 212.483 1.322 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 117 210.868 1.863 2.815 1.00 0.00 H new ATOM 1785 N PRO A 118 212.325 -2.629 2.746 1.00 0.00 N ATOM 1786 CA PRO A 118 212.828 -3.987 2.981 1.00 0.00 C ATOM 1787 C PRO A 118 212.971 -4.302 4.466 1.00 0.00 C ATOM 1788 O PRO A 118 212.238 -5.188 4.955 1.00 0.00 O ATOM 1789 CB PRO A 118 214.198 -3.979 2.299 1.00 0.00 C ATOM 1790 CG PRO A 118 214.625 -2.553 2.329 1.00 0.00 C ATOM 1791 CD PRO A 118 213.367 -1.739 2.200 1.00 0.00 C ATOM 0 HA PRO A 118 212.150 -4.748 2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 118 214.907 -4.616 2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 118 214.134 -4.352 1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 118 215.146 -2.321 3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 118 215.315 -2.336 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 118 213.433 -0.807 2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 118 213.165 -1.474 1.162 1.00 0.00 H new TER 1799 PRO A 118