USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=18 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 180:sc= -0.341 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 94 GLN : amide:sc= -0.526 K(o=-0.53,f=-9.1!) USER MOD Single : A 6 GLN : amide:sc=-0.00398 X(o=-0.004,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.358 USER MOD Single : A 32 SER OG : rot -73:sc= 1.16 USER MOD Single : A 37 HIS : no HD1:sc= -5.31! C(o=-5.3!,f=-5.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.061) USER MOD Single : A 44 MET CE :methyl 159:sc= -2.59 (180deg=-3.31!) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.336 X(o=-0.34,f=0) 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 -178:sc= -3.37 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 96 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.84) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.684 F(o=-1.3,f=-0.68) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 162.822 11.888 8.938 1.00 0.00 N ATOM 2 CA GLN A 6 163.463 11.714 7.609 1.00 0.00 C ATOM 3 C GLN A 6 164.984 11.784 7.719 1.00 0.00 C ATOM 4 O GLN A 6 165.613 12.711 7.207 1.00 0.00 O ATOM 5 CB GLN A 6 162.948 12.808 6.672 1.00 0.00 C ATOM 6 CG GLN A 6 161.794 12.361 5.790 1.00 0.00 C ATOM 7 CD GLN A 6 160.447 12.513 6.470 1.00 0.00 C ATOM 8 OE1 GLN A 6 159.814 11.526 6.848 1.00 0.00 O ATOM 9 NE2 GLN A 6 160.001 13.754 6.630 1.00 0.00 N ATOM 0 HA GLN A 6 163.208 10.731 7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 6 162.629 13.664 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 6 163.768 13.148 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 6 161.799 12.943 4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 6 161.939 11.318 5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 6 160.558 14.543 6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 6 159.101 13.918 7.081 1.00 0.00 H new ATOM 18 N TYR A 7 165.569 10.796 8.390 1.00 0.00 N ATOM 19 CA TYR A 7 167.016 10.745 8.566 1.00 0.00 C ATOM 20 C TYR A 7 167.716 10.658 7.217 1.00 0.00 C ATOM 21 O TYR A 7 167.078 10.462 6.184 1.00 0.00 O ATOM 22 CB TYR A 7 167.398 9.556 9.452 1.00 0.00 C ATOM 23 CG TYR A 7 168.882 9.387 9.687 1.00 0.00 C ATOM 24 CD1 TYR A 7 169.602 10.327 10.415 1.00 0.00 C ATOM 25 CD2 TYR A 7 169.562 8.282 9.190 1.00 0.00 C ATOM 26 CE1 TYR A 7 170.957 10.173 10.637 1.00 0.00 C ATOM 27 CE2 TYR A 7 170.917 8.120 9.409 1.00 0.00 C ATOM 28 CZ TYR A 7 171.609 9.069 10.132 1.00 0.00 C ATOM 29 OH TYR A 7 172.959 8.910 10.353 1.00 0.00 O ATOM 0 H TYR A 7 165.064 10.021 8.820 1.00 0.00 H new ATOM 0 HA TYR A 7 167.341 11.662 9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 7 166.903 9.667 10.417 1.00 0.00 H new ATOM 0 HB3 TYR A 7 167.011 8.644 8.998 1.00 0.00 H new ATOM 0 HD1 TYR A 7 169.094 11.192 10.814 1.00 0.00 H new ATOM 0 HD2 TYR A 7 169.023 7.537 8.623 1.00 0.00 H new ATOM 0 HE1 TYR A 7 171.502 10.914 11.203 1.00 0.00 H new ATOM 0 HE2 TYR A 7 171.431 7.255 9.016 1.00 0.00 H new ATOM 0 HH TYR A 7 173.264 8.080 9.931 1.00 0.00 H new ATOM 39 N VAL A 8 169.027 10.819 7.236 1.00 0.00 N ATOM 40 CA VAL A 8 169.820 10.773 6.012 1.00 0.00 C ATOM 41 C VAL A 8 170.606 9.472 5.896 1.00 0.00 C ATOM 42 O VAL A 8 170.545 8.609 6.766 1.00 0.00 O ATOM 43 CB VAL A 8 170.792 11.971 5.922 1.00 0.00 C ATOM 44 CG1 VAL A 8 172.036 11.743 6.772 1.00 0.00 C ATOM 45 CG2 VAL A 8 171.168 12.265 4.478 1.00 0.00 C ATOM 0 H VAL A 8 169.569 10.983 8.084 1.00 0.00 H new ATOM 0 HA VAL A 8 169.113 10.828 5.184 1.00 0.00 H new ATOM 0 HB VAL A 8 170.274 12.844 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.698 12.604 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 8 171.745 11.611 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 8 172.555 10.850 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 8 171.853 13.113 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 8 171.652 11.391 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 8 170.269 12.503 3.909 1.00 0.00 H new ATOM 55 N VAL A 9 171.341 9.348 4.805 1.00 0.00 N ATOM 56 CA VAL A 9 172.146 8.161 4.549 1.00 0.00 C ATOM 57 C VAL A 9 173.477 8.220 5.304 1.00 0.00 C ATOM 58 O VAL A 9 174.124 9.267 5.350 1.00 0.00 O ATOM 59 CB VAL A 9 172.430 8.008 3.043 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.137 9.245 2.508 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.248 6.753 2.772 1.00 0.00 C ATOM 0 H VAL A 9 171.399 10.059 4.076 1.00 0.00 H new ATOM 0 HA VAL A 9 171.575 7.302 4.901 1.00 0.00 H new ATOM 0 HB VAL A 9 171.478 7.906 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.331 9.121 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.506 10.120 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.081 9.381 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.436 6.666 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.197 6.816 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.697 5.878 3.116 1.00 0.00 H new ATOM 71 N PRO A 10 173.909 7.094 5.906 1.00 0.00 N ATOM 72 CA PRO A 10 175.171 7.031 6.652 1.00 0.00 C ATOM 73 C PRO A 10 176.386 7.164 5.739 1.00 0.00 C ATOM 74 O PRO A 10 176.248 7.418 4.542 1.00 0.00 O ATOM 75 CB PRO A 10 175.150 5.642 7.307 1.00 0.00 C ATOM 76 CG PRO A 10 173.756 5.136 7.141 1.00 0.00 C ATOM 77 CD PRO A 10 173.216 5.798 5.907 1.00 0.00 C ATOM 0 HA PRO A 10 175.253 7.848 7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 10 175.868 4.974 6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 10 175.421 5.702 8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 10 173.745 4.051 7.037 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.147 5.379 8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 10 173.436 5.221 5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.134 5.918 5.952 1.00 0.00 H new ATOM 85 N SER A 11 177.577 7.005 6.311 1.00 0.00 N ATOM 86 CA SER A 11 178.812 7.116 5.548 1.00 0.00 C ATOM 87 C SER A 11 179.487 5.762 5.359 1.00 0.00 C ATOM 88 O SER A 11 179.871 5.107 6.327 1.00 0.00 O ATOM 89 CB SER A 11 179.766 8.080 6.246 1.00 0.00 C ATOM 90 OG SER A 11 180.774 8.539 5.362 1.00 0.00 O ATOM 0 H SER A 11 177.710 6.799 7.301 1.00 0.00 H new ATOM 0 HA SER A 11 178.559 7.499 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.206 8.930 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.227 7.584 7.100 1.00 0.00 H new ATOM 0 HG SER A 11 181.369 9.156 5.837 1.00 0.00 H new ATOM 96 N ALA A 12 179.630 5.352 4.100 1.00 0.00 N ATOM 97 CA ALA A 12 180.262 4.079 3.777 1.00 0.00 C ATOM 98 C ALA A 12 181.781 4.162 3.905 1.00 0.00 C ATOM 99 O ALA A 12 182.454 4.743 3.055 1.00 0.00 O ATOM 100 CB ALA A 12 179.874 3.640 2.372 1.00 0.00 C ATOM 0 H ALA A 12 179.316 5.884 3.289 1.00 0.00 H new ATOM 0 HA ALA A 12 179.907 3.338 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.353 2.688 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.792 3.526 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 12 180.199 4.392 1.653 1.00 0.00 H new ATOM 106 N LYS A 13 182.309 3.566 4.970 1.00 0.00 N ATOM 107 CA LYS A 13 183.746 3.557 5.208 1.00 0.00 C ATOM 108 C LYS A 13 184.366 2.296 4.616 1.00 0.00 C ATOM 109 O LYS A 13 184.177 1.198 5.139 1.00 0.00 O ATOM 110 CB LYS A 13 184.040 3.633 6.709 1.00 0.00 C ATOM 111 CG LYS A 13 185.111 4.651 7.067 1.00 0.00 C ATOM 112 CD LYS A 13 186.487 4.195 6.606 1.00 0.00 C ATOM 113 CE LYS A 13 187.585 4.778 7.480 1.00 0.00 C ATOM 114 NZ LYS A 13 187.820 3.955 8.699 1.00 0.00 N ATOM 0 H LYS A 13 181.761 3.083 5.682 1.00 0.00 H new ATOM 0 HA LYS A 13 184.185 4.429 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.121 3.883 7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.353 2.650 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 13 184.871 5.610 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 13 185.120 4.807 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 13 186.539 3.107 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 13 186.645 4.498 5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 13 188.508 4.847 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 13 187.315 5.793 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 188.576 4.386 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 186.946 3.910 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 188.102 2.994 8.420 1.00 0.00 H new ATOM 128 N LEU A 14 185.090 2.457 3.514 1.00 0.00 N ATOM 129 CA LEU A 14 185.717 1.324 2.842 1.00 0.00 C ATOM 130 C LEU A 14 187.175 1.157 3.256 1.00 0.00 C ATOM 131 O LEU A 14 187.814 2.094 3.734 1.00 0.00 O ATOM 132 CB LEU A 14 185.631 1.497 1.325 1.00 0.00 C ATOM 133 CG LEU A 14 184.217 1.653 0.766 1.00 0.00 C ATOM 134 CD1 LEU A 14 183.805 3.116 0.764 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.132 1.068 -0.636 1.00 0.00 C ATOM 0 H LEU A 14 185.257 3.359 3.068 1.00 0.00 H new ATOM 0 HA LEU A 14 185.176 0.426 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.215 2.373 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.099 0.635 0.850 1.00 0.00 H new ATOM 0 HG LEU A 14 183.528 1.104 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 14 182.796 3.209 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 14 183.828 3.502 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 14 184.496 3.688 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.119 1.187 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.831 1.589 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.385 0.008 -0.604 1.00 0.00 H new ATOM 147 N GLU A 15 187.692 -0.049 3.052 1.00 0.00 N ATOM 148 CA GLU A 15 189.074 -0.371 3.379 1.00 0.00 C ATOM 149 C GLU A 15 189.637 -1.341 2.344 1.00 0.00 C ATOM 150 O GLU A 15 188.951 -2.277 1.934 1.00 0.00 O ATOM 151 CB GLU A 15 189.161 -0.988 4.776 1.00 0.00 C ATOM 152 CG GLU A 15 188.813 -0.018 5.893 1.00 0.00 C ATOM 153 CD GLU A 15 187.464 -0.307 6.519 1.00 0.00 C ATOM 154 OE1 GLU A 15 187.383 -1.232 7.353 1.00 0.00 O ATOM 155 OE2 GLU A 15 186.487 0.393 6.175 1.00 0.00 O ATOM 0 H GLU A 15 187.166 -0.828 2.656 1.00 0.00 H new ATOM 0 HA GLU A 15 189.661 0.547 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.489 -1.845 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.171 -1.365 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 15 189.584 -0.065 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 15 188.816 0.999 5.500 1.00 0.00 H new ATOM 162 N ALA A 16 190.873 -1.113 1.905 1.00 0.00 N ATOM 163 CA ALA A 16 191.480 -1.979 0.901 1.00 0.00 C ATOM 164 C ALA A 16 192.154 -3.183 1.551 1.00 0.00 C ATOM 165 O ALA A 16 193.246 -3.079 2.106 1.00 0.00 O ATOM 166 CB ALA A 16 192.471 -1.197 0.056 1.00 0.00 C ATOM 0 H ALA A 16 191.466 -0.347 2.224 1.00 0.00 H new ATOM 0 HA ALA A 16 190.689 -2.351 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 16 192.915 -1.858 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 16 191.955 -0.379 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.255 -0.792 0.696 1.00 0.00 H new ATOM 172 N ILE A 17 191.478 -4.325 1.474 1.00 0.00 N ATOM 173 CA ILE A 17 191.980 -5.564 2.053 1.00 0.00 C ATOM 174 C ILE A 17 193.137 -6.132 1.236 1.00 0.00 C ATOM 175 O ILE A 17 193.080 -6.177 0.007 1.00 0.00 O ATOM 176 CB ILE A 17 190.864 -6.623 2.150 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.602 -6.010 2.760 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.328 -7.811 2.977 1.00 0.00 C ATOM 179 CD1 ILE A 17 189.827 -5.398 4.126 1.00 0.00 C ATOM 0 H ILE A 17 190.573 -4.417 1.012 1.00 0.00 H new ATOM 0 HA ILE A 17 192.337 -5.324 3.054 1.00 0.00 H new ATOM 0 HB ILE A 17 190.631 -6.973 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.218 -5.244 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 17 188.835 -6.780 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.528 -8.549 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.203 -8.261 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.586 -7.476 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 17 188.890 -4.983 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.182 -6.165 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 17 190.571 -4.605 4.051 1.00 0.00 H new ATOM 191 N TYR A 18 194.185 -6.567 1.929 1.00 0.00 N ATOM 192 CA TYR A 18 195.358 -7.135 1.275 1.00 0.00 C ATOM 193 C TYR A 18 195.258 -8.660 1.215 1.00 0.00 C ATOM 194 O TYR A 18 194.789 -9.290 2.163 1.00 0.00 O ATOM 195 CB TYR A 18 196.631 -6.723 2.018 1.00 0.00 C ATOM 196 CG TYR A 18 197.902 -7.221 1.370 1.00 0.00 C ATOM 197 CD1 TYR A 18 198.416 -8.475 1.676 1.00 0.00 C ATOM 198 CD2 TYR A 18 198.587 -6.438 0.450 1.00 0.00 C ATOM 199 CE1 TYR A 18 199.579 -8.933 1.085 1.00 0.00 C ATOM 200 CE2 TYR A 18 199.750 -6.889 -0.145 1.00 0.00 C ATOM 201 CZ TYR A 18 200.241 -8.137 0.176 1.00 0.00 C ATOM 202 OH TYR A 18 201.399 -8.589 -0.416 1.00 0.00 O ATOM 0 H TYR A 18 194.245 -6.537 2.947 1.00 0.00 H new ATOM 0 HA TYR A 18 195.401 -6.750 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.668 -5.635 2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 18 196.583 -7.100 3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 18 197.899 -9.102 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 18 198.205 -5.461 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 18 199.967 -9.910 1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.272 -6.267 -0.858 1.00 0.00 H new ATOM 0 HH TYR A 18 201.739 -7.907 -1.032 1.00 0.00 H new ATOM 212 N PRO A 19 195.694 -9.280 0.101 1.00 0.00 N ATOM 213 CA PRO A 19 196.257 -8.587 -1.050 1.00 0.00 C ATOM 214 C PRO A 19 195.202 -8.251 -2.101 1.00 0.00 C ATOM 215 O PRO A 19 195.501 -7.610 -3.109 1.00 0.00 O ATOM 216 CB PRO A 19 197.242 -9.618 -1.592 1.00 0.00 C ATOM 217 CG PRO A 19 196.628 -10.944 -1.274 1.00 0.00 C ATOM 218 CD PRO A 19 195.671 -10.734 -0.119 1.00 0.00 C ATOM 0 HA PRO A 19 196.702 -7.627 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.388 -9.498 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.221 -9.514 -1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 19 196.101 -11.341 -2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.397 -11.669 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.668 -11.085 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.992 -11.277 0.770 1.00 0.00 H new ATOM 226 N ARG A 20 193.970 -8.685 -1.859 1.00 0.00 N ATOM 227 CA ARG A 20 192.878 -8.429 -2.778 1.00 0.00 C ATOM 228 C ARG A 20 191.528 -8.645 -2.099 1.00 0.00 C ATOM 229 O ARG A 20 191.022 -9.764 -2.041 1.00 0.00 O ATOM 230 CB ARG A 20 192.995 -9.325 -4.012 1.00 0.00 C ATOM 231 CG ARG A 20 193.205 -10.793 -3.678 1.00 0.00 C ATOM 232 CD ARG A 20 194.145 -11.461 -4.670 1.00 0.00 C ATOM 233 NE ARG A 20 194.999 -12.457 -4.028 1.00 0.00 N ATOM 234 CZ ARG A 20 194.560 -13.627 -3.571 1.00 0.00 C ATOM 235 NH1 ARG A 20 193.277 -13.951 -3.681 1.00 0.00 N ATOM 236 NH2 ARG A 20 195.406 -14.476 -3.003 1.00 0.00 N ATOM 0 H ARG A 20 193.707 -9.217 -1.030 1.00 0.00 H new ATOM 0 HA ARG A 20 192.941 -7.387 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 20 192.091 -9.223 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.826 -8.978 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 20 193.613 -10.884 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 20 192.245 -11.309 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 20 193.562 -11.937 -5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 194.767 -10.703 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 20 195.991 -12.243 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 20 192.623 -13.302 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 20 192.946 -14.849 -3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 20 196.393 -14.232 -2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 20 195.070 -15.373 -2.652 1.00 0.00 H new ATOM 250 N GLY A 21 190.952 -7.559 -1.593 1.00 0.00 N ATOM 251 CA GLY A 21 189.665 -7.641 -0.928 1.00 0.00 C ATOM 252 C GLY A 21 189.063 -6.274 -0.664 1.00 0.00 C ATOM 253 O GLY A 21 189.570 -5.264 -1.151 1.00 0.00 O ATOM 0 H GLY A 21 191.354 -6.623 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.979 -8.225 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.780 -8.173 0.016 1.00 0.00 H new ATOM 257 N LEU A 22 187.977 -6.240 0.101 1.00 0.00 N ATOM 258 CA LEU A 22 187.307 -4.983 0.417 1.00 0.00 C ATOM 259 C LEU A 22 186.488 -5.104 1.700 1.00 0.00 C ATOM 260 O LEU A 22 185.953 -6.166 2.009 1.00 0.00 O ATOM 261 CB LEU A 22 186.405 -4.560 -0.750 1.00 0.00 C ATOM 262 CG LEU A 22 185.301 -3.555 -0.404 1.00 0.00 C ATOM 263 CD1 LEU A 22 185.900 -2.241 0.072 1.00 0.00 C ATOM 264 CD2 LEU A 22 184.396 -3.323 -1.603 1.00 0.00 C ATOM 0 H LEU A 22 187.543 -7.066 0.513 1.00 0.00 H new ATOM 0 HA LEU A 22 188.070 -4.220 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.031 -4.130 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.940 -5.453 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 22 184.702 -3.972 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.099 -1.542 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 22 186.506 -2.418 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.525 -1.820 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 22 183.618 -2.607 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 22 184.984 -2.930 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 22 183.936 -4.266 -1.899 1.00 0.00 H new ATOM 276 N ARG A 23 186.394 -4.001 2.439 1.00 0.00 N ATOM 277 CA ARG A 23 185.638 -3.972 3.686 1.00 0.00 C ATOM 278 C ARG A 23 184.959 -2.615 3.873 1.00 0.00 C ATOM 279 O ARG A 23 185.619 -1.620 4.170 1.00 0.00 O ATOM 280 CB ARG A 23 186.556 -4.269 4.872 1.00 0.00 C ATOM 281 CG ARG A 23 185.968 -5.259 5.863 1.00 0.00 C ATOM 282 CD ARG A 23 186.642 -5.147 7.222 1.00 0.00 C ATOM 283 NE ARG A 23 188.027 -5.610 7.182 1.00 0.00 N ATOM 284 CZ ARG A 23 188.997 -5.129 7.956 1.00 0.00 C ATOM 285 NH1 ARG A 23 188.740 -4.179 8.849 1.00 0.00 N ATOM 286 NH2 ARG A 23 190.229 -5.603 7.841 1.00 0.00 N ATOM 0 H ARG A 23 186.834 -3.114 2.194 1.00 0.00 H new ATOM 0 HA ARG A 23 184.867 -4.741 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.503 -4.660 4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 23 186.778 -3.337 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 23 184.898 -5.079 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 23 186.084 -6.273 5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 23 186.615 -4.110 7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 23 186.084 -5.732 7.953 1.00 0.00 H new ATOM 0 HE ARG A 23 188.266 -6.348 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 23 187.793 -3.812 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 23 189.490 -3.816 9.438 1.00 0.00 H new ATOM 0 HH21 ARG A 23 190.432 -6.335 7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 23 190.974 -5.236 8.433 1.00 0.00 H new ATOM 300 N VAL A 24 183.641 -2.583 3.691 1.00 0.00 N ATOM 301 CA VAL A 24 182.880 -1.344 3.836 1.00 0.00 C ATOM 302 C VAL A 24 182.014 -1.366 5.092 1.00 0.00 C ATOM 303 O VAL A 24 181.687 -2.433 5.611 1.00 0.00 O ATOM 304 CB VAL A 24 181.978 -1.097 2.613 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.348 0.286 2.682 1.00 0.00 C ATOM 306 CG2 VAL A 24 182.764 -1.269 1.323 1.00 0.00 C ATOM 0 H VAL A 24 183.079 -3.398 3.444 1.00 0.00 H new ATOM 0 HA VAL A 24 183.608 -0.537 3.917 1.00 0.00 H new ATOM 0 HB VAL A 24 181.177 -1.836 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.714 0.441 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.745 0.367 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.132 1.043 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.108 -1.090 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.589 -0.557 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.159 -2.284 1.270 1.00 0.00 H new ATOM 316 N SER A 25 181.643 -0.182 5.578 1.00 0.00 N ATOM 317 CA SER A 25 180.813 -0.076 6.774 1.00 0.00 C ATOM 318 C SER A 25 180.028 1.234 6.799 1.00 0.00 C ATOM 319 O SER A 25 180.501 2.263 6.319 1.00 0.00 O ATOM 320 CB SER A 25 181.680 -0.188 8.029 1.00 0.00 C ATOM 321 OG SER A 25 182.907 -0.834 7.748 1.00 0.00 O ATOM 0 H SER A 25 181.903 0.713 5.163 1.00 0.00 H new ATOM 0 HA SER A 25 180.096 -0.897 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.873 0.807 8.430 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.142 -0.743 8.798 1.00 0.00 H new ATOM 0 HG SER A 25 183.442 -0.891 8.567 1.00 0.00 H new ATOM 327 N ILE A 26 178.823 1.183 7.366 1.00 0.00 N ATOM 328 CA ILE A 26 177.961 2.364 7.458 1.00 0.00 C ATOM 329 C ILE A 26 177.210 2.400 8.789 1.00 0.00 C ATOM 330 O ILE A 26 176.581 1.413 9.174 1.00 0.00 O ATOM 331 CB ILE A 26 176.913 2.385 6.333 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.280 1.003 6.173 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.534 2.858 5.031 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.768 1.036 6.135 1.00 0.00 C ATOM 0 H ILE A 26 178.420 0.337 7.769 1.00 0.00 H new ATOM 0 HA ILE A 26 178.619 3.229 7.372 1.00 0.00 H new ATOM 0 HB ILE A 26 176.126 3.090 6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.649 0.546 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.602 0.366 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.776 2.866 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 26 177.931 3.865 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.342 2.184 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.385 0.022 6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.390 1.464 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.438 1.646 5.294 1.00 0.00 H new ATOM 346 N PRO A 27 177.237 3.541 9.502 1.00 0.00 N ATOM 347 CA PRO A 27 176.525 3.683 10.775 1.00 0.00 C ATOM 348 C PRO A 27 175.022 3.505 10.585 1.00 0.00 C ATOM 349 O PRO A 27 174.334 4.410 10.111 1.00 0.00 O ATOM 350 CB PRO A 27 176.847 5.114 11.226 1.00 0.00 C ATOM 351 CG PRO A 27 178.041 5.517 10.427 1.00 0.00 C ATOM 352 CD PRO A 27 177.936 4.779 9.125 1.00 0.00 C ATOM 0 HA PRO A 27 176.827 2.932 11.505 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.006 5.783 11.043 1.00 0.00 H new ATOM 0 HB3 PRO A 27 177.057 5.152 12.295 1.00 0.00 H new ATOM 0 HG2 PRO A 27 178.056 6.595 10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.964 5.260 10.948 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.377 5.348 8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 27 178.917 4.574 8.697 1.00 0.00 H new ATOM 360 N ASP A 28 174.528 2.327 10.936 1.00 0.00 N ATOM 361 CA ASP A 28 173.113 2.008 10.788 1.00 0.00 C ATOM 362 C ASP A 28 172.248 2.801 11.757 1.00 0.00 C ATOM 363 O ASP A 28 172.671 3.138 12.864 1.00 0.00 O ATOM 364 CB ASP A 28 172.885 0.509 11.001 1.00 0.00 C ATOM 365 CG ASP A 28 171.423 0.121 10.889 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.772 0.532 9.905 1.00 0.00 O ATOM 367 OD2 ASP A 28 170.929 -0.597 11.785 1.00 0.00 O ATOM 0 H ASP A 28 175.089 1.571 11.328 1.00 0.00 H new ATOM 0 HA ASP A 28 172.821 2.284 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.463 -0.051 10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.259 0.224 11.985 1.00 0.00 H new ATOM 372 N ASP A 29 171.023 3.074 11.330 1.00 0.00 N ATOM 373 CA ASP A 29 170.062 3.804 12.144 1.00 0.00 C ATOM 374 C ASP A 29 168.735 3.062 12.150 1.00 0.00 C ATOM 375 O ASP A 29 167.667 3.663 12.028 1.00 0.00 O ATOM 376 CB ASP A 29 169.874 5.226 11.613 1.00 0.00 C ATOM 377 CG ASP A 29 169.246 6.147 12.642 1.00 0.00 C ATOM 378 OD1 ASP A 29 169.988 6.677 13.495 1.00 0.00 O ATOM 379 OD2 ASP A 29 168.013 6.338 12.593 1.00 0.00 O ATOM 0 H ASP A 29 170.669 2.797 10.414 1.00 0.00 H new ATOM 0 HA ASP A 29 170.441 3.872 13.164 1.00 0.00 H new ATOM 0 HB2 ASP A 29 170.840 5.629 11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.246 5.199 10.722 1.00 0.00 H new ATOM 384 N GLY A 30 168.821 1.744 12.288 1.00 0.00 N ATOM 385 CA GLY A 30 167.642 0.915 12.305 1.00 0.00 C ATOM 386 C GLY A 30 167.005 0.776 10.937 1.00 0.00 C ATOM 387 O GLY A 30 165.789 0.899 10.798 1.00 0.00 O ATOM 0 H GLY A 30 169.699 1.235 12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.904 -0.074 12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.915 1.338 12.998 1.00 0.00 H new ATOM 391 N PHE A 31 167.828 0.519 9.924 1.00 0.00 N ATOM 392 CA PHE A 31 167.329 0.362 8.563 1.00 0.00 C ATOM 393 C PHE A 31 166.922 -1.076 8.295 1.00 0.00 C ATOM 394 O PHE A 31 166.889 -1.911 9.199 1.00 0.00 O ATOM 395 CB PHE A 31 168.387 0.782 7.540 1.00 0.00 C ATOM 396 CG PHE A 31 169.011 2.115 7.834 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.222 3.208 8.144 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.386 2.272 7.799 1.00 0.00 C ATOM 399 CE1 PHE A 31 168.792 4.437 8.416 1.00 0.00 C ATOM 400 CE2 PHE A 31 170.963 3.498 8.070 1.00 0.00 C ATOM 401 CZ PHE A 31 170.165 4.581 8.378 1.00 0.00 C ATOM 0 H PHE A 31 168.838 0.416 10.020 1.00 0.00 H new ATOM 0 HA PHE A 31 166.456 1.007 8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.169 0.024 7.506 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.931 0.814 6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.148 3.100 8.174 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.014 1.427 7.557 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.165 5.283 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.037 3.609 8.041 1.00 0.00 H new ATOM 0 HZ PHE A 31 170.614 5.540 8.589 1.00 0.00 H new ATOM 411 N SER A 32 166.623 -1.352 7.037 1.00 0.00 N ATOM 412 CA SER A 32 166.225 -2.679 6.611 1.00 0.00 C ATOM 413 C SER A 32 167.059 -3.129 5.423 1.00 0.00 C ATOM 414 O SER A 32 167.296 -4.324 5.243 1.00 0.00 O ATOM 415 CB SER A 32 164.739 -2.704 6.252 1.00 0.00 C ATOM 416 OG SER A 32 164.473 -1.898 5.117 1.00 0.00 O ATOM 0 H SER A 32 166.650 -0.663 6.285 1.00 0.00 H new ATOM 0 HA SER A 32 166.395 -3.369 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.427 -3.730 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.151 -2.350 7.099 1.00 0.00 H new ATOM 0 HG SER A 32 164.534 -0.952 5.366 1.00 0.00 H new ATOM 422 N LEU A 33 167.520 -2.175 4.610 1.00 0.00 N ATOM 423 CA LEU A 33 168.339 -2.534 3.452 1.00 0.00 C ATOM 424 C LEU A 33 169.452 -1.534 3.192 1.00 0.00 C ATOM 425 O LEU A 33 169.253 -0.328 3.295 1.00 0.00 O ATOM 426 CB LEU A 33 167.497 -2.644 2.182 1.00 0.00 C ATOM 427 CG LEU A 33 168.120 -3.516 1.092 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.964 -4.991 1.423 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.509 -3.201 -0.265 1.00 0.00 C ATOM 0 H LEU A 33 167.347 -1.177 4.727 1.00 0.00 H new ATOM 0 HA LEU A 33 168.778 -3.501 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.519 -3.049 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.331 -1.644 1.781 1.00 0.00 H new ATOM 0 HG LEU A 33 169.185 -3.290 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.415 -5.591 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.460 -5.206 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.905 -5.236 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.967 -3.833 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.436 -3.390 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.686 -2.153 -0.509 1.00 0.00 H new ATOM 441 N PHE A 34 170.615 -2.060 2.819 1.00 0.00 N ATOM 442 CA PHE A 34 171.769 -1.236 2.492 1.00 0.00 C ATOM 443 C PHE A 34 172.412 -1.705 1.193 1.00 0.00 C ATOM 444 O PHE A 34 173.174 -2.672 1.182 1.00 0.00 O ATOM 445 CB PHE A 34 172.808 -1.277 3.600 1.00 0.00 C ATOM 446 CG PHE A 34 173.946 -0.325 3.355 1.00 0.00 C ATOM 447 CD1 PHE A 34 173.720 1.038 3.264 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.237 -0.798 3.200 1.00 0.00 C ATOM 449 CE1 PHE A 34 174.762 1.913 3.025 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.284 0.070 2.961 1.00 0.00 C ATOM 451 CZ PHE A 34 176.047 1.427 2.873 1.00 0.00 C ATOM 0 H PHE A 34 170.781 -3.063 2.736 1.00 0.00 H new ATOM 0 HA PHE A 34 171.414 -0.212 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.332 -1.033 4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 34 173.199 -2.290 3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 34 172.717 1.422 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.428 -1.859 3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 34 174.573 2.974 2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.287 -0.312 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 34 176.864 2.108 2.686 1.00 0.00 H new ATOM 461 N ALA A 35 172.109 -1.015 0.104 1.00 0.00 N ATOM 462 CA ALA A 35 172.668 -1.359 -1.193 1.00 0.00 C ATOM 463 C ALA A 35 173.863 -0.470 -1.513 1.00 0.00 C ATOM 464 O ALA A 35 173.729 0.749 -1.614 1.00 0.00 O ATOM 465 CB ALA A 35 171.607 -1.240 -2.275 1.00 0.00 C ATOM 0 H ALA A 35 171.479 -0.213 0.093 1.00 0.00 H new ATOM 0 HA ALA A 35 173.011 -2.393 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 35 172.041 -1.501 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.783 -1.918 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.235 -0.216 -2.309 1.00 0.00 H new ATOM 471 N PHE A 36 175.033 -1.082 -1.662 1.00 0.00 N ATOM 472 CA PHE A 36 176.246 -0.332 -1.960 1.00 0.00 C ATOM 473 C PHE A 36 176.649 -0.502 -3.418 1.00 0.00 C ATOM 474 O PHE A 36 176.899 -1.613 -3.875 1.00 0.00 O ATOM 475 CB PHE A 36 177.386 -0.794 -1.053 1.00 0.00 C ATOM 476 CG PHE A 36 178.679 -0.065 -1.282 1.00 0.00 C ATOM 477 CD1 PHE A 36 178.720 1.320 -1.290 1.00 0.00 C ATOM 478 CD2 PHE A 36 179.856 -0.767 -1.483 1.00 0.00 C ATOM 479 CE1 PHE A 36 179.912 1.990 -1.496 1.00 0.00 C ATOM 480 CE2 PHE A 36 181.049 -0.104 -1.691 1.00 0.00 C ATOM 481 CZ PHE A 36 181.077 1.277 -1.697 1.00 0.00 C ATOM 0 H PHE A 36 175.166 -2.090 -1.582 1.00 0.00 H new ATOM 0 HA PHE A 36 176.044 0.724 -1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 36 177.086 -0.663 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.550 -1.861 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 36 177.811 1.882 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 36 179.840 -1.847 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 36 179.932 3.070 -1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 36 181.959 -0.664 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 36 182.009 1.798 -1.859 1.00 0.00 H new ATOM 491 N HIS A 37 176.705 0.614 -4.135 1.00 0.00 N ATOM 492 CA HIS A 37 177.073 0.625 -5.534 1.00 0.00 C ATOM 493 C HIS A 37 178.362 1.421 -5.713 1.00 0.00 C ATOM 494 O HIS A 37 178.456 2.547 -5.228 1.00 0.00 O ATOM 495 CB HIS A 37 175.946 1.268 -6.329 1.00 0.00 C ATOM 496 CG HIS A 37 175.273 0.338 -7.287 1.00 0.00 C ATOM 497 ND1 HIS A 37 175.262 -1.031 -7.124 1.00 0.00 N ATOM 498 CD2 HIS A 37 174.562 0.586 -8.413 1.00 0.00 C ATOM 499 CE1 HIS A 37 174.576 -1.585 -8.108 1.00 0.00 C ATOM 500 NE2 HIS A 37 174.141 -0.625 -8.901 1.00 0.00 N ATOM 0 H HIS A 37 176.495 1.537 -3.755 1.00 0.00 H new ATOM 0 HA HIS A 37 177.236 -0.392 -5.889 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.202 1.659 -5.635 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.344 2.118 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 37 174.364 1.556 -8.846 1.00 0.00 H new ATOM 0 HE1 HIS A 37 174.401 -2.643 -8.240 1.00 0.00 H new ATOM 0 HE2 HIS A 37 173.581 -0.761 -9.743 1.00 0.00 H new ATOM 509 N GLY A 38 179.360 0.851 -6.389 1.00 0.00 N ATOM 510 CA GLY A 38 180.604 1.579 -6.556 1.00 0.00 C ATOM 511 C GLY A 38 181.420 1.143 -7.750 1.00 0.00 C ATOM 512 O GLY A 38 181.658 -0.045 -7.956 1.00 0.00 O ATOM 0 H GLY A 38 179.331 -0.076 -6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.380 2.642 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.206 1.459 -5.655 1.00 0.00 H new ATOM 516 N LYS A 39 181.875 2.126 -8.521 1.00 0.00 N ATOM 517 CA LYS A 39 182.700 1.867 -9.690 1.00 0.00 C ATOM 518 C LYS A 39 184.143 2.267 -9.399 1.00 0.00 C ATOM 519 O LYS A 39 184.395 3.233 -8.674 1.00 0.00 O ATOM 520 CB LYS A 39 182.174 2.638 -10.902 1.00 0.00 C ATOM 521 CG LYS A 39 182.914 2.324 -12.191 1.00 0.00 C ATOM 522 CD LYS A 39 182.009 2.450 -13.408 1.00 0.00 C ATOM 523 CE LYS A 39 181.420 3.846 -13.527 1.00 0.00 C ATOM 524 NZ LYS A 39 180.059 3.826 -14.130 1.00 0.00 N ATOM 0 H LYS A 39 181.683 3.114 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 39 182.661 0.802 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.116 2.411 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.248 3.707 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 39 183.762 3.001 -12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 39 183.317 1.313 -12.141 1.00 0.00 H new ATOM 0 HD2 LYS A 39 182.576 2.216 -14.309 1.00 0.00 H new ATOM 0 HD3 LYS A 39 181.203 1.719 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 39 181.373 4.305 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 39 182.078 4.467 -14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 179.693 4.797 -14.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 180.107 3.411 -15.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 179.424 3.255 -13.536 1.00 0.00 H new ATOM 538 N LEU A 40 185.088 1.515 -9.948 1.00 0.00 N ATOM 539 CA LEU A 40 186.502 1.792 -9.726 1.00 0.00 C ATOM 540 C LEU A 40 187.112 2.563 -10.893 1.00 0.00 C ATOM 541 O LEU A 40 187.048 2.128 -12.044 1.00 0.00 O ATOM 542 CB LEU A 40 187.263 0.484 -9.503 1.00 0.00 C ATOM 543 CG LEU A 40 188.769 0.641 -9.285 1.00 0.00 C ATOM 544 CD1 LEU A 40 189.061 1.004 -7.839 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.497 -0.637 -9.672 1.00 0.00 C ATOM 0 H LEU A 40 184.903 0.711 -10.548 1.00 0.00 H new ATOM 0 HA LEU A 40 186.586 2.415 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 40 186.837 -0.024 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.101 -0.164 -10.364 1.00 0.00 H new ATOM 0 HG LEU A 40 189.129 1.449 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 40 190.137 1.112 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.568 1.944 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.688 0.217 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.567 -0.509 -9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 189.134 -1.462 -9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.312 -0.857 -10.723 1.00 0.00 H new ATOM 557 N ASN A 41 187.714 3.709 -10.580 1.00 0.00 N ATOM 558 CA ASN A 41 188.354 4.549 -11.589 1.00 0.00 C ATOM 559 C ASN A 41 187.336 5.112 -12.580 1.00 0.00 C ATOM 560 O ASN A 41 187.534 5.041 -13.792 1.00 0.00 O ATOM 561 CB ASN A 41 189.428 3.754 -12.337 1.00 0.00 C ATOM 562 CG ASN A 41 190.659 4.585 -12.637 1.00 0.00 C ATOM 563 OD1 ASN A 41 191.115 4.649 -13.778 1.00 0.00 O ATOM 564 ND2 ASN A 41 191.204 5.227 -11.610 1.00 0.00 N ATOM 0 H ASN A 41 187.772 4.078 -9.631 1.00 0.00 H new ATOM 0 HA ASN A 41 188.820 5.388 -11.073 1.00 0.00 H new ATOM 0 HB2 ASN A 41 189.715 2.887 -11.742 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.012 3.376 -13.271 1.00 0.00 H new ATOM 0 HD21 ASN A 41 192.035 5.802 -11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 41 190.792 5.145 -10.681 1.00 0.00 H new ATOM 571 N GLU A 42 186.256 5.687 -12.055 1.00 0.00 N ATOM 572 CA GLU A 42 185.213 6.280 -12.881 1.00 0.00 C ATOM 573 C GLU A 42 184.060 6.767 -12.019 1.00 0.00 C ATOM 574 O GLU A 42 183.315 5.975 -11.444 1.00 0.00 O ATOM 575 CB GLU A 42 184.689 5.292 -13.923 1.00 0.00 C ATOM 576 CG GLU A 42 183.851 5.962 -14.996 1.00 0.00 C ATOM 577 CD GLU A 42 183.475 5.019 -16.122 1.00 0.00 C ATOM 578 OE1 GLU A 42 183.533 3.789 -15.912 1.00 0.00 O ATOM 579 OE2 GLU A 42 183.120 5.510 -17.215 1.00 0.00 O ATOM 0 H GLU A 42 186.082 5.754 -11.052 1.00 0.00 H new ATOM 0 HA GLU A 42 185.658 7.127 -13.404 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.532 4.783 -14.391 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.092 4.528 -13.425 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.943 6.362 -14.545 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.403 6.808 -15.406 1.00 0.00 H new ATOM 586 N GLU A 43 183.930 8.081 -11.933 1.00 0.00 N ATOM 587 CA GLU A 43 182.876 8.703 -11.138 1.00 0.00 C ATOM 588 C GLU A 43 181.499 8.207 -11.542 1.00 0.00 C ATOM 589 O GLU A 43 181.358 7.326 -12.390 1.00 0.00 O ATOM 590 CB GLU A 43 182.924 10.223 -11.279 1.00 0.00 C ATOM 591 CG GLU A 43 184.287 10.807 -10.986 1.00 0.00 C ATOM 592 CD GLU A 43 184.345 12.306 -11.213 1.00 0.00 C ATOM 593 OE1 GLU A 43 183.970 12.754 -12.316 1.00 0.00 O ATOM 594 OE2 GLU A 43 184.767 13.030 -10.287 1.00 0.00 O ATOM 0 H GLU A 43 184.544 8.744 -12.406 1.00 0.00 H new ATOM 0 HA GLU A 43 183.052 8.424 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.629 10.497 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.193 10.667 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.556 10.590 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.030 10.319 -11.618 1.00 0.00 H new ATOM 601 N MET A 44 180.488 8.799 -10.924 1.00 0.00 N ATOM 602 CA MET A 44 179.100 8.456 -11.193 1.00 0.00 C ATOM 603 C MET A 44 178.215 9.687 -11.069 1.00 0.00 C ATOM 604 O MET A 44 178.568 10.653 -10.394 1.00 0.00 O ATOM 605 CB MET A 44 178.615 7.376 -10.225 1.00 0.00 C ATOM 606 CG MET A 44 179.495 6.139 -10.200 1.00 0.00 C ATOM 607 SD MET A 44 178.548 4.606 -10.259 1.00 0.00 S ATOM 608 CE MET A 44 178.755 4.014 -8.584 1.00 0.00 C ATOM 0 H MET A 44 180.607 9.530 -10.223 1.00 0.00 H new ATOM 0 HA MET A 44 179.038 8.072 -12.211 1.00 0.00 H new ATOM 0 HB2 MET A 44 178.566 7.796 -9.221 1.00 0.00 H new ATOM 0 HB3 MET A 44 177.601 7.084 -10.498 1.00 0.00 H new ATOM 0 HG2 MET A 44 180.181 6.170 -11.047 1.00 0.00 H new ATOM 0 HG3 MET A 44 180.104 6.150 -9.296 1.00 0.00 H new ATOM 0 HE1 MET A 44 177.960 3.307 -8.347 1.00 0.00 H new ATOM 0 HE2 MET A 44 179.721 3.518 -8.490 1.00 0.00 H new ATOM 0 HE3 MET A 44 178.711 4.855 -7.893 1.00 0.00 H new ATOM 618 N ASP A 45 177.065 9.646 -11.725 1.00 0.00 N ATOM 619 CA ASP A 45 176.127 10.755 -11.693 1.00 0.00 C ATOM 620 C ASP A 45 174.695 10.241 -11.735 1.00 0.00 C ATOM 621 O ASP A 45 173.851 10.761 -12.465 1.00 0.00 O ATOM 622 CB ASP A 45 176.395 11.688 -12.869 1.00 0.00 C ATOM 623 CG ASP A 45 175.680 13.017 -12.733 1.00 0.00 C ATOM 624 OD1 ASP A 45 175.918 13.718 -11.726 1.00 0.00 O ATOM 625 OD2 ASP A 45 174.881 13.358 -13.631 1.00 0.00 O ATOM 0 H ASP A 45 176.759 8.852 -12.288 1.00 0.00 H new ATOM 0 HA ASP A 45 176.262 11.309 -10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 45 177.468 11.863 -12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 45 176.079 11.203 -13.792 1.00 0.00 H new ATOM 630 N GLY A 46 174.439 9.206 -10.947 1.00 0.00 N ATOM 631 CA GLY A 46 173.133 8.610 -10.891 1.00 0.00 C ATOM 632 C GLY A 46 173.167 7.268 -10.193 1.00 0.00 C ATOM 633 O GLY A 46 173.775 7.129 -9.131 1.00 0.00 O ATOM 0 H GLY A 46 175.130 8.767 -10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 46 172.449 9.277 -10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 46 172.744 8.486 -11.902 1.00 0.00 H new ATOM 637 N LEU A 47 172.512 6.280 -10.783 1.00 0.00 N ATOM 638 CA LEU A 47 172.462 4.956 -10.217 1.00 0.00 C ATOM 639 C LEU A 47 172.963 3.916 -11.213 1.00 0.00 C ATOM 640 O LEU A 47 172.177 3.179 -11.808 1.00 0.00 O ATOM 641 CB LEU A 47 171.032 4.673 -9.809 1.00 0.00 C ATOM 642 CG LEU A 47 170.428 5.734 -8.892 1.00 0.00 C ATOM 643 CD1 LEU A 47 168.911 5.629 -8.867 1.00 0.00 C ATOM 644 CD2 LEU A 47 171.002 5.608 -7.490 1.00 0.00 C ATOM 0 H LEU A 47 172.005 6.380 -11.663 1.00 0.00 H new ATOM 0 HA LEU A 47 173.114 4.900 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 47 170.418 4.590 -10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 47 170.993 3.707 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 47 170.688 6.717 -9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 47 168.504 6.395 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 47 168.520 5.773 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 47 168.620 4.644 -8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 47 170.563 6.371 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 47 170.773 4.620 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 47 172.083 5.743 -7.526 1.00 0.00 H new ATOM 656 N GLU A 48 174.279 3.871 -11.392 1.00 0.00 N ATOM 657 CA GLU A 48 174.897 2.931 -12.318 1.00 0.00 C ATOM 658 C GLU A 48 175.435 1.709 -11.579 1.00 0.00 C ATOM 659 O GLU A 48 175.901 1.814 -10.444 1.00 0.00 O ATOM 660 CB GLU A 48 176.028 3.612 -13.091 1.00 0.00 C ATOM 661 CG GLU A 48 175.541 4.488 -14.235 1.00 0.00 C ATOM 662 CD GLU A 48 176.440 4.407 -15.453 1.00 0.00 C ATOM 663 OE1 GLU A 48 177.053 3.342 -15.667 1.00 0.00 O ATOM 664 OE2 GLU A 48 176.528 5.410 -16.193 1.00 0.00 O ATOM 0 H GLU A 48 174.940 4.477 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 48 174.133 2.600 -13.021 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.613 4.221 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 48 176.697 2.848 -13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 48 174.531 4.188 -14.513 1.00 0.00 H new ATOM 0 HG3 GLU A 48 175.485 5.523 -13.897 1.00 0.00 H new ATOM 671 N ALA A 49 175.365 0.552 -12.231 1.00 0.00 N ATOM 672 CA ALA A 49 175.838 -0.695 -11.643 1.00 0.00 C ATOM 673 C ALA A 49 177.240 -0.552 -11.059 1.00 0.00 C ATOM 674 O ALA A 49 177.558 -1.155 -10.034 1.00 0.00 O ATOM 675 CB ALA A 49 175.811 -1.808 -12.679 1.00 0.00 C ATOM 0 H ALA A 49 174.983 0.453 -13.172 1.00 0.00 H new ATOM 0 HA ALA A 49 175.165 -0.949 -10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 49 176.167 -2.734 -12.227 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.791 -1.947 -13.037 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.456 -1.542 -13.516 1.00 0.00 H new ATOM 681 N GLY A 50 178.078 0.241 -11.719 1.00 0.00 N ATOM 682 CA GLY A 50 179.436 0.434 -11.246 1.00 0.00 C ATOM 683 C GLY A 50 180.177 -0.880 -11.093 1.00 0.00 C ATOM 684 O GLY A 50 180.462 -1.558 -12.080 1.00 0.00 O ATOM 0 H GLY A 50 177.842 0.752 -12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.975 1.075 -11.944 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.416 0.952 -10.287 1.00 0.00 H new ATOM 688 N HIS A 51 180.481 -1.245 -9.853 1.00 0.00 N ATOM 689 CA HIS A 51 181.183 -2.493 -9.577 1.00 0.00 C ATOM 690 C HIS A 51 180.703 -3.109 -8.271 1.00 0.00 C ATOM 691 O HIS A 51 179.963 -4.094 -8.275 1.00 0.00 O ATOM 692 CB HIS A 51 182.696 -2.263 -9.537 1.00 0.00 C ATOM 693 CG HIS A 51 183.495 -3.528 -9.574 1.00 0.00 C ATOM 694 ND1 HIS A 51 183.503 -4.381 -10.657 1.00 0.00 N ATOM 695 CD2 HIS A 51 184.320 -4.084 -8.655 1.00 0.00 C ATOM 696 CE1 HIS A 51 184.296 -5.407 -10.403 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.804 -5.249 -9.195 1.00 0.00 N ATOM 0 H HIS A 51 180.253 -0.696 -9.024 1.00 0.00 H new ATOM 0 HA HIS A 51 180.961 -3.191 -10.384 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.983 -1.637 -10.382 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.947 -1.711 -8.632 1.00 0.00 H new ATOM 0 HD2 HIS A 51 184.553 -3.685 -7.679 1.00 0.00 H new ATOM 0 HE1 HIS A 51 184.494 -6.233 -11.070 1.00 0.00 H new ATOM 0 HE2 HIS A 51 185.452 -5.890 -8.737 1.00 0.00 H new ATOM 706 N TRP A 52 181.114 -2.526 -7.153 1.00 0.00 N ATOM 707 CA TRP A 52 180.710 -3.025 -5.848 1.00 0.00 C ATOM 708 C TRP A 52 179.202 -2.894 -5.676 1.00 0.00 C ATOM 709 O TRP A 52 178.696 -1.811 -5.400 1.00 0.00 O ATOM 710 CB TRP A 52 181.434 -2.257 -4.741 1.00 0.00 C ATOM 711 CG TRP A 52 182.919 -2.456 -4.758 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.596 -3.598 -4.439 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.912 -1.487 -5.114 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.948 -3.396 -4.569 1.00 0.00 N ATOM 715 CE2 TRP A 52 185.168 -2.109 -4.983 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.861 -0.152 -5.529 1.00 0.00 C ATOM 717 CZ2 TRP A 52 186.359 -1.442 -5.251 1.00 0.00 C ATOM 718 CZ3 TRP A 52 185.045 0.507 -5.797 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.280 -0.138 -5.658 1.00 0.00 C ATOM 0 H TRP A 52 181.725 -1.710 -7.124 1.00 0.00 H new ATOM 0 HA TRP A 52 180.980 -4.079 -5.779 1.00 0.00 H new ATOM 0 HB2 TRP A 52 181.215 -1.194 -4.842 1.00 0.00 H new ATOM 0 HB3 TRP A 52 181.043 -2.572 -3.774 1.00 0.00 H new ATOM 0 HD1 TRP A 52 183.136 -4.525 -4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 52 185.671 -4.092 -4.387 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.913 0.354 -5.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 187.313 -1.936 -5.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.018 1.537 -6.119 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.188 0.404 -5.876 1.00 0.00 H new ATOM 730 N ALA A 53 178.491 -4.005 -5.854 1.00 0.00 N ATOM 731 CA ALA A 53 177.037 -4.019 -5.727 1.00 0.00 C ATOM 732 C ALA A 53 176.600 -4.903 -4.566 1.00 0.00 C ATOM 733 O ALA A 53 176.151 -6.032 -4.764 1.00 0.00 O ATOM 734 CB ALA A 53 176.401 -4.495 -7.025 1.00 0.00 C ATOM 0 H ALA A 53 178.900 -4.910 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 53 176.702 -3.002 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 53 175.316 -4.501 -6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.682 -3.823 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.749 -5.503 -7.252 1.00 0.00 H new ATOM 740 N ARG A 54 176.751 -4.386 -3.355 1.00 0.00 N ATOM 741 CA ARG A 54 176.393 -5.122 -2.153 1.00 0.00 C ATOM 742 C ARG A 54 174.991 -4.750 -1.664 1.00 0.00 C ATOM 743 O ARG A 54 174.749 -3.620 -1.247 1.00 0.00 O ATOM 744 CB ARG A 54 177.441 -4.846 -1.070 1.00 0.00 C ATOM 745 CG ARG A 54 176.915 -4.924 0.360 1.00 0.00 C ATOM 746 CD ARG A 54 176.397 -3.576 0.843 1.00 0.00 C ATOM 747 NE ARG A 54 176.984 -3.175 2.121 1.00 0.00 N ATOM 748 CZ ARG A 54 178.135 -2.518 2.238 1.00 0.00 C ATOM 749 NH1 ARG A 54 178.866 -2.244 1.165 1.00 0.00 N ATOM 750 NH2 ARG A 54 178.570 -2.155 3.438 1.00 0.00 N ATOM 0 H ARG A 54 177.122 -3.452 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 54 176.377 -6.188 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 54 178.257 -5.560 -1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 54 177.861 -3.854 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 54 176.115 -5.662 0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 54 177.710 -5.267 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 54 176.616 -2.816 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 54 175.313 -3.622 0.944 1.00 0.00 H new ATOM 0 HE ARG A 54 176.480 -3.414 2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 54 178.547 -2.537 0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 54 179.747 -1.740 1.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 178.022 -2.380 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 54 179.452 -1.651 3.530 1.00 0.00 H new ATOM 764 N ASP A 55 174.078 -5.714 -1.714 1.00 0.00 N ATOM 765 CA ASP A 55 172.710 -5.510 -1.274 1.00 0.00 C ATOM 766 C ASP A 55 172.439 -6.317 -0.006 1.00 0.00 C ATOM 767 O ASP A 55 172.123 -7.505 -0.073 1.00 0.00 O ATOM 768 CB ASP A 55 171.750 -5.939 -2.379 1.00 0.00 C ATOM 769 CG ASP A 55 172.133 -7.268 -3.002 1.00 0.00 C ATOM 770 OD1 ASP A 55 173.212 -7.341 -3.626 1.00 0.00 O ATOM 771 OD2 ASP A 55 171.352 -8.234 -2.868 1.00 0.00 O ATOM 0 H ASP A 55 174.268 -6.654 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 55 172.559 -4.453 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 55 170.742 -6.010 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 55 171.727 -5.172 -3.153 1.00 0.00 H new ATOM 776 N ILE A 56 172.575 -5.672 1.150 1.00 0.00 N ATOM 777 CA ILE A 56 172.355 -6.348 2.425 1.00 0.00 C ATOM 778 C ILE A 56 171.013 -5.957 3.034 1.00 0.00 C ATOM 779 O ILE A 56 170.496 -4.870 2.776 1.00 0.00 O ATOM 780 CB ILE A 56 173.484 -6.034 3.428 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.839 -6.010 2.715 1.00 0.00 C ATOM 782 CG2 ILE A 56 173.499 -7.058 4.554 1.00 0.00 C ATOM 783 CD1 ILE A 56 175.994 -5.661 3.626 1.00 0.00 C ATOM 0 H ILE A 56 172.835 -4.689 1.230 1.00 0.00 H new ATOM 0 HA ILE A 56 172.352 -7.419 2.221 1.00 0.00 H new ATOM 0 HB ILE A 56 173.298 -5.050 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.022 -6.987 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.799 -5.288 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.302 -6.820 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 56 172.544 -7.036 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 56 173.662 -8.053 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.922 -5.663 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 56 175.834 -4.672 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.060 -6.397 4.427 1.00 0.00 H new ATOM 795 N THR A 57 170.450 -6.855 3.839 1.00 0.00 N ATOM 796 CA THR A 57 169.160 -6.607 4.479 1.00 0.00 C ATOM 797 C THR A 57 169.263 -6.675 6.004 1.00 0.00 C ATOM 798 O THR A 57 168.310 -6.340 6.709 1.00 0.00 O ATOM 799 CB THR A 57 168.123 -7.620 3.989 1.00 0.00 C ATOM 800 OG1 THR A 57 168.301 -8.870 4.634 1.00 0.00 O ATOM 801 CG2 THR A 57 168.177 -7.864 2.496 1.00 0.00 C ATOM 0 H THR A 57 170.865 -7.759 4.063 1.00 0.00 H new ATOM 0 HA THR A 57 168.847 -5.600 4.205 1.00 0.00 H new ATOM 0 HB THR A 57 167.156 -7.181 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 57 167.628 -9.504 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.415 -8.592 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 57 167.994 -6.928 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 57 169.161 -8.247 2.225 1.00 0.00 H new ATOM 809 N LYS A 58 170.414 -7.109 6.513 1.00 0.00 N ATOM 810 CA LYS A 58 170.614 -7.216 7.955 1.00 0.00 C ATOM 811 C LYS A 58 171.978 -6.658 8.366 1.00 0.00 C ATOM 812 O LYS A 58 173.014 -7.147 7.916 1.00 0.00 O ATOM 813 CB LYS A 58 170.492 -8.677 8.395 1.00 0.00 C ATOM 814 CG LYS A 58 169.360 -8.922 9.378 1.00 0.00 C ATOM 815 CD LYS A 58 168.876 -10.363 9.322 1.00 0.00 C ATOM 816 CE LYS A 58 168.542 -10.892 10.708 1.00 0.00 C ATOM 817 NZ LYS A 58 167.076 -10.894 10.963 1.00 0.00 N ATOM 0 H LYS A 58 171.218 -7.391 5.952 1.00 0.00 H new ATOM 0 HA LYS A 58 169.842 -6.625 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 58 170.340 -9.302 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 58 171.432 -8.991 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 58 169.697 -8.689 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 58 168.531 -8.250 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 58 167.994 -10.427 8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 58 169.644 -10.989 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 58 168.930 -11.905 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 58 169.040 -10.280 11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 166.890 -11.262 11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 166.709 -9.924 10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 166.602 -11.498 10.261 1.00 0.00 H new ATOM 831 N PRO A 59 172.000 -5.627 9.233 1.00 0.00 N ATOM 832 CA PRO A 59 173.251 -5.016 9.699 1.00 0.00 C ATOM 833 C PRO A 59 174.169 -6.024 10.381 1.00 0.00 C ATOM 834 O PRO A 59 173.968 -7.235 10.279 1.00 0.00 O ATOM 835 CB PRO A 59 172.790 -3.964 10.713 1.00 0.00 C ATOM 836 CG PRO A 59 171.369 -3.687 10.365 1.00 0.00 C ATOM 837 CD PRO A 59 170.817 -4.977 9.826 1.00 0.00 C ATOM 0 HA PRO A 59 173.828 -4.607 8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.881 -4.334 11.734 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.396 -3.060 10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.809 -3.359 11.241 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.297 -2.891 9.624 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.375 -5.587 10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.038 -4.803 9.083 1.00 0.00 H new ATOM 845 N LYS A 60 175.169 -5.509 11.085 1.00 0.00 N ATOM 846 CA LYS A 60 176.120 -6.352 11.803 1.00 0.00 C ATOM 847 C LYS A 60 176.074 -6.045 13.296 1.00 0.00 C ATOM 848 O LYS A 60 176.042 -6.947 14.132 1.00 0.00 O ATOM 849 CB LYS A 60 177.537 -6.136 11.268 1.00 0.00 C ATOM 850 CG LYS A 60 178.503 -7.253 11.632 1.00 0.00 C ATOM 851 CD LYS A 60 178.690 -8.228 10.480 1.00 0.00 C ATOM 852 CE LYS A 60 179.255 -9.553 10.959 1.00 0.00 C ATOM 853 NZ LYS A 60 178.180 -10.500 11.372 1.00 0.00 N ATOM 0 H LYS A 60 175.344 -4.508 11.175 1.00 0.00 H new ATOM 0 HA LYS A 60 175.843 -7.395 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.496 -6.042 10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 60 177.923 -5.193 11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 60 179.467 -6.826 11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 60 178.130 -7.788 12.505 1.00 0.00 H new ATOM 0 HD2 LYS A 60 177.733 -8.397 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 60 179.360 -7.792 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 60 179.849 -10.003 10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 60 179.927 -9.378 11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 178.608 -11.392 11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 177.629 -10.082 12.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 177.553 -10.687 10.564 1.00 0.00 H new ATOM 867 N GLU A 61 176.057 -4.757 13.612 1.00 0.00 N ATOM 868 CA GLU A 61 175.999 -4.293 14.993 1.00 0.00 C ATOM 869 C GLU A 61 175.958 -2.779 15.022 1.00 0.00 C ATOM 870 O GLU A 61 176.988 -2.118 15.156 1.00 0.00 O ATOM 871 CB GLU A 61 177.191 -4.814 15.796 1.00 0.00 C ATOM 872 CG GLU A 61 176.916 -4.932 17.287 1.00 0.00 C ATOM 873 CD GLU A 61 176.532 -6.340 17.699 1.00 0.00 C ATOM 874 OE1 GLU A 61 177.428 -7.209 17.746 1.00 0.00 O ATOM 875 OE2 GLU A 61 175.337 -6.573 17.975 1.00 0.00 O ATOM 0 H GLU A 61 176.083 -4.006 12.922 1.00 0.00 H new ATOM 0 HA GLU A 61 175.092 -4.683 15.454 1.00 0.00 H new ATOM 0 HB2 GLU A 61 177.479 -5.792 15.410 1.00 0.00 H new ATOM 0 HB3 GLU A 61 178.040 -4.148 15.643 1.00 0.00 H new ATOM 0 HG2 GLU A 61 177.802 -4.624 17.842 1.00 0.00 H new ATOM 0 HG3 GLU A 61 176.114 -4.246 17.560 1.00 0.00 H new ATOM 882 N GLY A 62 174.761 -2.234 14.845 1.00 0.00 N ATOM 883 CA GLY A 62 174.608 -0.799 14.804 1.00 0.00 C ATOM 884 C GLY A 62 175.116 -0.240 13.489 1.00 0.00 C ATOM 885 O GLY A 62 174.951 0.945 13.200 1.00 0.00 O ATOM 0 H GLY A 62 173.896 -2.762 14.730 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.558 -0.537 14.934 1.00 0.00 H new ATOM 0 HA3 GLY A 62 175.154 -0.347 15.632 1.00 0.00 H new ATOM 889 N ARG A 63 175.735 -1.112 12.688 1.00 0.00 N ATOM 890 CA ARG A 63 176.272 -0.723 11.390 1.00 0.00 C ATOM 891 C ARG A 63 176.405 -1.938 10.482 1.00 0.00 C ATOM 892 O ARG A 63 176.641 -3.049 10.955 1.00 0.00 O ATOM 893 CB ARG A 63 177.631 -0.040 11.556 1.00 0.00 C ATOM 894 CG ARG A 63 178.545 -0.737 12.551 1.00 0.00 C ATOM 895 CD ARG A 63 178.832 0.143 13.760 1.00 0.00 C ATOM 896 NE ARG A 63 179.818 1.179 13.459 1.00 0.00 N ATOM 897 CZ ARG A 63 179.985 2.277 14.192 1.00 0.00 C ATOM 898 NH1 ARG A 63 179.234 2.487 15.267 1.00 0.00 N ATOM 899 NH2 ARG A 63 180.904 3.169 13.849 1.00 0.00 N ATOM 0 H ARG A 63 175.875 -2.095 12.921 1.00 0.00 H new ATOM 0 HA ARG A 63 175.579 -0.018 10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.128 0.002 10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 63 177.474 0.989 11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 63 178.083 -1.668 12.879 1.00 0.00 H new ATOM 0 HG3 ARG A 63 179.483 -1.001 12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 63 177.906 0.610 14.097 1.00 0.00 H new ATOM 0 HD3 ARG A 63 179.194 -0.475 14.581 1.00 0.00 H new ATOM 0 HE ARG A 63 180.412 1.053 12.640 1.00 0.00 H new ATOM 0 HH11 ARG A 63 178.525 1.805 15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 63 179.367 3.331 15.825 1.00 0.00 H new ATOM 0 HH21 ARG A 63 181.483 3.013 13.024 1.00 0.00 H new ATOM 0 HH22 ARG A 63 181.032 4.011 14.411 1.00 0.00 H new ATOM 913 N TRP A 64 176.272 -1.727 9.177 1.00 0.00 N ATOM 914 CA TRP A 64 176.397 -2.811 8.228 1.00 0.00 C ATOM 915 C TRP A 64 177.848 -2.981 7.816 1.00 0.00 C ATOM 916 O TRP A 64 178.621 -2.021 7.811 1.00 0.00 O ATOM 917 CB TRP A 64 175.544 -2.557 6.995 1.00 0.00 C ATOM 918 CG TRP A 64 174.139 -2.125 7.298 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.745 -1.028 8.012 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.936 -2.789 6.891 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.375 -0.971 8.071 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.855 -2.039 7.388 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.668 -3.944 6.150 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.528 -2.406 7.171 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.351 -4.308 5.936 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.296 -3.539 6.444 1.00 0.00 C ATOM 0 H TRP A 64 176.078 -0.816 8.760 1.00 0.00 H new ATOM 0 HA TRP A 64 176.047 -3.723 8.711 1.00 0.00 H new ATOM 0 HB2 TRP A 64 176.024 -1.791 6.386 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.511 -3.467 6.396 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.414 -0.311 8.464 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.832 -0.250 8.546 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.475 -4.541 5.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.713 -1.816 7.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.132 -5.200 5.368 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.278 -3.848 6.257 1.00 0.00 H new ATOM 937 N THR A 65 178.203 -4.207 7.475 1.00 0.00 N ATOM 938 CA THR A 65 179.563 -4.526 7.062 1.00 0.00 C ATOM 939 C THR A 65 179.578 -5.424 5.829 1.00 0.00 C ATOM 940 O THR A 65 179.031 -6.527 5.845 1.00 0.00 O ATOM 941 CB THR A 65 180.316 -5.206 8.205 1.00 0.00 C ATOM 942 OG1 THR A 65 179.949 -4.643 9.453 1.00 0.00 O ATOM 943 CG2 THR A 65 181.821 -5.098 8.078 1.00 0.00 C ATOM 0 H THR A 65 177.566 -5.004 7.475 1.00 0.00 H new ATOM 0 HA THR A 65 180.059 -3.590 6.806 1.00 0.00 H new ATOM 0 HB THR A 65 180.037 -6.258 8.149 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.440 -5.093 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.294 -5.601 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 65 182.142 -5.567 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.111 -4.047 8.073 1.00 0.00 H new ATOM 951 N PHE A 66 180.226 -4.956 4.771 1.00 0.00 N ATOM 952 CA PHE A 66 180.337 -5.728 3.538 1.00 0.00 C ATOM 953 C PHE A 66 181.775 -6.213 3.359 1.00 0.00 C ATOM 954 O PHE A 66 182.711 -5.601 3.873 1.00 0.00 O ATOM 955 CB PHE A 66 179.906 -4.886 2.334 1.00 0.00 C ATOM 956 CG PHE A 66 180.216 -5.516 1.003 1.00 0.00 C ATOM 957 CD1 PHE A 66 179.637 -6.721 0.639 1.00 0.00 C ATOM 958 CD2 PHE A 66 181.086 -4.901 0.119 1.00 0.00 C ATOM 959 CE1 PHE A 66 179.920 -7.300 -0.583 1.00 0.00 C ATOM 960 CE2 PHE A 66 181.375 -5.476 -1.105 1.00 0.00 C ATOM 961 CZ PHE A 66 180.789 -6.677 -1.456 1.00 0.00 C ATOM 0 H PHE A 66 180.684 -4.045 4.740 1.00 0.00 H new ATOM 0 HA PHE A 66 179.675 -6.592 3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.833 -4.704 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 66 180.398 -3.915 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 66 178.957 -7.213 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 66 181.544 -3.961 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 66 179.462 -8.239 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 66 182.057 -4.987 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 66 181.011 -7.128 -2.412 1.00 0.00 H new ATOM 971 N ARG A 67 181.945 -7.314 2.638 1.00 0.00 N ATOM 972 CA ARG A 67 183.273 -7.871 2.407 1.00 0.00 C ATOM 973 C ARG A 67 183.394 -8.444 1.000 1.00 0.00 C ATOM 974 O ARG A 67 182.677 -9.375 0.631 1.00 0.00 O ATOM 975 CB ARG A 67 183.579 -8.956 3.442 1.00 0.00 C ATOM 976 CG ARG A 67 184.614 -8.537 4.473 1.00 0.00 C ATOM 977 CD ARG A 67 185.426 -9.726 4.961 1.00 0.00 C ATOM 978 NE ARG A 67 185.738 -9.627 6.386 1.00 0.00 N ATOM 979 CZ ARG A 67 184.822 -9.661 7.351 1.00 0.00 C ATOM 980 NH1 ARG A 67 183.535 -9.789 7.050 1.00 0.00 N ATOM 981 NH2 ARG A 67 185.193 -9.566 8.620 1.00 0.00 N ATOM 0 H ARG A 67 181.184 -7.837 2.205 1.00 0.00 H new ATOM 0 HA ARG A 67 183.998 -7.063 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 182.656 -9.228 3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 67 183.932 -9.849 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 67 185.281 -7.793 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 67 184.116 -8.063 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 67 184.871 -10.645 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 67 186.352 -9.791 4.390 1.00 0.00 H new ATOM 0 HE ARG A 67 186.716 -9.526 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 67 183.244 -9.862 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 67 182.837 -9.814 7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 67 186.180 -9.467 8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 67 184.491 -9.592 9.360 1.00 0.00 H new ATOM 995 N ASP A 68 184.314 -7.884 0.220 1.00 0.00 N ATOM 996 CA ASP A 68 184.541 -8.340 -1.146 1.00 0.00 C ATOM 997 C ASP A 68 185.986 -8.795 -1.326 1.00 0.00 C ATOM 998 O ASP A 68 186.881 -7.978 -1.527 1.00 0.00 O ATOM 999 CB ASP A 68 184.218 -7.222 -2.141 1.00 0.00 C ATOM 1000 CG ASP A 68 183.522 -7.740 -3.384 1.00 0.00 C ATOM 1001 OD1 ASP A 68 182.555 -8.518 -3.245 1.00 0.00 O ATOM 1002 OD2 ASP A 68 183.944 -7.368 -4.499 1.00 0.00 O ATOM 0 H ASP A 68 184.915 -7.113 0.512 1.00 0.00 H new ATOM 0 HA ASP A 68 183.881 -9.186 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.585 -6.479 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 68 185.140 -6.717 -2.428 1.00 0.00 H new ATOM 1007 N ARG A 69 186.202 -10.106 -1.246 1.00 0.00 N ATOM 1008 CA ARG A 69 187.538 -10.680 -1.393 1.00 0.00 C ATOM 1009 C ARG A 69 187.854 -11.001 -2.855 1.00 0.00 C ATOM 1010 O ARG A 69 188.707 -11.840 -3.141 1.00 0.00 O ATOM 1011 CB ARG A 69 187.661 -11.949 -0.547 1.00 0.00 C ATOM 1012 CG ARG A 69 186.665 -13.033 -0.930 1.00 0.00 C ATOM 1013 CD ARG A 69 185.679 -13.306 0.194 1.00 0.00 C ATOM 1014 NE ARG A 69 186.176 -14.316 1.125 1.00 0.00 N ATOM 1015 CZ ARG A 69 186.388 -15.589 0.797 1.00 0.00 C ATOM 1016 NH1 ARG A 69 186.148 -16.010 -0.439 1.00 0.00 N ATOM 1017 NH2 ARG A 69 186.838 -16.440 1.706 1.00 0.00 N ATOM 0 H ARG A 69 185.467 -10.793 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 69 188.258 -9.938 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 69 188.672 -12.345 -0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 69 187.520 -11.691 0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 69 186.123 -12.730 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 69 187.200 -13.950 -1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 69 185.481 -12.381 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 69 184.731 -13.638 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 69 186.372 -14.029 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 69 185.800 -15.357 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 69 186.312 -16.986 -0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 69 187.022 -16.120 2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 69 187.001 -17.415 1.455 1.00 0.00 H new ATOM 1031 N ASN A 70 187.162 -10.335 -3.773 1.00 0.00 N ATOM 1032 CA ASN A 70 187.376 -10.558 -5.199 1.00 0.00 C ATOM 1033 C ASN A 70 187.544 -9.236 -5.939 1.00 0.00 C ATOM 1034 O ASN A 70 187.234 -9.134 -7.125 1.00 0.00 O ATOM 1035 CB ASN A 70 186.205 -11.345 -5.793 1.00 0.00 C ATOM 1036 CG ASN A 70 186.528 -12.817 -5.965 1.00 0.00 C ATOM 1037 OD1 ASN A 70 186.501 -13.343 -7.079 1.00 0.00 O ATOM 1038 ND2 ASN A 70 186.832 -13.489 -4.862 1.00 0.00 N ATOM 0 H ASN A 70 186.450 -9.638 -3.556 1.00 0.00 H new ATOM 0 HA ASN A 70 188.292 -11.136 -5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.334 -11.240 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 70 185.937 -10.919 -6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 70 187.056 -14.483 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 70 186.842 -13.012 -3.961 1.00 0.00 H new ATOM 1045 N ALA A 71 188.040 -8.227 -5.232 1.00 0.00 N ATOM 1046 CA ALA A 71 188.252 -6.914 -5.823 1.00 0.00 C ATOM 1047 C ALA A 71 189.731 -6.677 -6.099 1.00 0.00 C ATOM 1048 O ALA A 71 190.499 -6.352 -5.193 1.00 0.00 O ATOM 1049 CB ALA A 71 187.704 -5.830 -4.909 1.00 0.00 C ATOM 0 H ALA A 71 188.302 -8.295 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 71 187.718 -6.876 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.869 -4.853 -5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.635 -5.985 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.214 -5.873 -3.947 1.00 0.00 H new ATOM 1055 N LYS A 72 190.129 -6.840 -7.357 1.00 0.00 N ATOM 1056 CA LYS A 72 191.518 -6.641 -7.747 1.00 0.00 C ATOM 1057 C LYS A 72 191.863 -5.159 -7.768 1.00 0.00 C ATOM 1058 O LYS A 72 191.962 -4.545 -8.831 1.00 0.00 O ATOM 1059 CB LYS A 72 191.776 -7.261 -9.122 1.00 0.00 C ATOM 1060 CG LYS A 72 193.248 -7.507 -9.412 1.00 0.00 C ATOM 1061 CD LYS A 72 193.718 -8.827 -8.823 1.00 0.00 C ATOM 1062 CE LYS A 72 195.207 -8.804 -8.522 1.00 0.00 C ATOM 1063 NZ LYS A 72 195.713 -10.146 -8.118 1.00 0.00 N ATOM 0 H LYS A 72 189.510 -7.109 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 72 192.155 -7.134 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 72 191.238 -8.206 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 72 191.368 -6.604 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 72 193.412 -7.509 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 72 193.842 -6.691 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 72 193.164 -9.036 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 72 193.499 -9.636 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 72 195.750 -8.461 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 72 195.405 -8.086 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 196.733 -10.088 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 195.213 -10.463 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 195.547 -10.826 -8.888 1.00 0.00 H new ATOM 1077 N LEU A 73 192.041 -4.589 -6.581 1.00 0.00 N ATOM 1078 CA LEU A 73 192.372 -3.176 -6.452 1.00 0.00 C ATOM 1079 C LEU A 73 193.881 -2.967 -6.419 1.00 0.00 C ATOM 1080 O LEU A 73 194.614 -3.761 -5.828 1.00 0.00 O ATOM 1081 CB LEU A 73 191.739 -2.600 -5.184 1.00 0.00 C ATOM 1082 CG LEU A 73 190.215 -2.716 -5.110 1.00 0.00 C ATOM 1083 CD1 LEU A 73 189.720 -2.365 -3.716 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.565 -1.818 -6.152 1.00 0.00 C ATOM 0 H LEU A 73 191.961 -5.085 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 73 191.973 -2.655 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.169 -3.106 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 73 192.012 -1.548 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 73 189.935 -3.748 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 73 188.634 -2.453 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.162 -3.048 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.009 -1.342 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.481 -1.911 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.852 -0.782 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.896 -2.116 -7.147 1.00 0.00 H new ATOM 1096 N LYS A 74 194.336 -1.894 -7.053 1.00 0.00 N ATOM 1097 CA LYS A 74 195.758 -1.577 -7.094 1.00 0.00 C ATOM 1098 C LYS A 74 196.009 -0.162 -6.587 1.00 0.00 C ATOM 1099 O LYS A 74 195.188 0.733 -6.778 1.00 0.00 O ATOM 1100 CB LYS A 74 196.299 -1.733 -8.516 1.00 0.00 C ATOM 1101 CG LYS A 74 197.676 -2.375 -8.576 1.00 0.00 C ATOM 1102 CD LYS A 74 197.582 -3.873 -8.810 1.00 0.00 C ATOM 1103 CE LYS A 74 198.880 -4.432 -9.371 1.00 0.00 C ATOM 1104 NZ LYS A 74 199.188 -5.781 -8.819 1.00 0.00 N ATOM 0 H LYS A 74 193.741 -1.228 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 74 196.282 -2.275 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 74 195.601 -2.335 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 74 196.344 -0.752 -8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 74 198.258 -1.917 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 74 198.209 -2.184 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 74 197.344 -4.375 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 74 196.765 -4.084 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 74 198.810 -4.491 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 74 199.699 -3.750 -9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 200.080 -6.127 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 199.280 -5.720 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 198.419 -6.439 -9.060 1.00 0.00 H new ATOM 1118 N LEU A 75 197.151 0.028 -5.934 1.00 0.00 N ATOM 1119 CA LEU A 75 197.515 1.332 -5.388 1.00 0.00 C ATOM 1120 C LEU A 75 197.441 2.421 -6.451 1.00 0.00 C ATOM 1121 O LEU A 75 197.739 2.188 -7.622 1.00 0.00 O ATOM 1122 CB LEU A 75 198.926 1.276 -4.792 1.00 0.00 C ATOM 1123 CG LEU A 75 198.998 1.424 -3.269 1.00 0.00 C ATOM 1124 CD1 LEU A 75 199.628 0.191 -2.642 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.783 2.674 -2.894 1.00 0.00 C ATOM 0 H LEU A 75 197.841 -0.705 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 75 196.800 1.579 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.383 0.327 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.526 2.064 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 75 197.983 1.524 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 75 199.671 0.315 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 75 199.029 -0.687 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 75 200.637 0.060 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.825 2.765 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.795 2.601 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 199.291 3.552 -3.313 1.00 0.00 H new ATOM 1137 N GLY A 76 197.036 3.613 -6.027 1.00 0.00 N ATOM 1138 CA GLY A 76 196.922 4.728 -6.944 1.00 0.00 C ATOM 1139 C GLY A 76 195.517 4.887 -7.480 1.00 0.00 C ATOM 1140 O GLY A 76 195.049 6.002 -7.706 1.00 0.00 O ATOM 0 H GLY A 76 196.784 3.826 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.221 5.645 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.612 4.584 -7.776 1.00 0.00 H new ATOM 1144 N ASP A 77 194.841 3.763 -7.683 1.00 0.00 N ATOM 1145 CA ASP A 77 193.485 3.768 -8.197 1.00 0.00 C ATOM 1146 C ASP A 77 192.546 4.493 -7.234 1.00 0.00 C ATOM 1147 O ASP A 77 192.764 4.496 -6.020 1.00 0.00 O ATOM 1148 CB ASP A 77 193.010 2.334 -8.439 1.00 0.00 C ATOM 1149 CG ASP A 77 191.726 2.272 -9.243 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.737 2.913 -8.835 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.711 1.579 -10.283 1.00 0.00 O ATOM 0 H ASP A 77 195.216 2.833 -7.497 1.00 0.00 H new ATOM 0 HA ASP A 77 193.473 4.304 -9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.789 1.781 -8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.858 1.839 -7.480 1.00 0.00 H new ATOM 1156 N LYS A 78 191.506 5.113 -7.783 1.00 0.00 N ATOM 1157 CA LYS A 78 190.537 5.851 -6.979 1.00 0.00 C ATOM 1158 C LYS A 78 189.204 5.112 -6.910 1.00 0.00 C ATOM 1159 O LYS A 78 188.975 4.149 -7.640 1.00 0.00 O ATOM 1160 CB LYS A 78 190.326 7.248 -7.564 1.00 0.00 C ATOM 1161 CG LYS A 78 189.754 8.245 -6.568 1.00 0.00 C ATOM 1162 CD LYS A 78 190.381 9.620 -6.733 1.00 0.00 C ATOM 1163 CE LYS A 78 190.145 10.490 -5.508 1.00 0.00 C ATOM 1164 NZ LYS A 78 190.870 11.788 -5.604 1.00 0.00 N ATOM 0 H LYS A 78 191.312 5.119 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 78 190.933 5.938 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.279 7.625 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.655 7.177 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 78 188.675 8.318 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 78 189.925 7.886 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 78 191.452 9.514 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 78 189.963 10.108 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 78 189.077 10.677 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 78 190.471 9.957 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 190.685 12.353 -4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 191.891 11.610 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 190.541 12.308 -6.442 1.00 0.00 H new ATOM 1178 N ILE A 79 188.336 5.567 -6.015 1.00 0.00 N ATOM 1179 CA ILE A 79 187.027 4.952 -5.827 1.00 0.00 C ATOM 1180 C ILE A 79 185.888 5.962 -5.972 1.00 0.00 C ATOM 1181 O ILE A 79 186.014 7.120 -5.575 1.00 0.00 O ATOM 1182 CB ILE A 79 186.921 4.236 -4.471 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.889 3.053 -4.432 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.494 3.763 -4.219 1.00 0.00 C ATOM 1185 CD1 ILE A 79 189.101 3.300 -3.567 1.00 0.00 C ATOM 0 H ILE A 79 188.516 6.364 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 79 186.926 4.210 -6.619 1.00 0.00 H new ATOM 0 HB ILE A 79 187.188 4.940 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 79 187.362 2.173 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 79 188.216 2.827 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.443 3.259 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 79 184.821 4.621 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 79 185.196 3.070 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 79 189.745 2.421 -3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 79 189.651 4.161 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 79 188.783 3.497 -2.543 1.00 0.00 H new ATOM 1197 N TYR A 80 184.767 5.495 -6.509 1.00 0.00 N ATOM 1198 CA TYR A 80 183.578 6.324 -6.676 1.00 0.00 C ATOM 1199 C TYR A 80 182.341 5.460 -6.453 1.00 0.00 C ATOM 1200 O TYR A 80 182.240 4.371 -7.017 1.00 0.00 O ATOM 1201 CB TYR A 80 183.557 6.962 -8.065 1.00 0.00 C ATOM 1202 CG TYR A 80 184.586 8.059 -8.231 1.00 0.00 C ATOM 1203 CD1 TYR A 80 184.478 9.248 -7.520 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.666 7.904 -9.090 1.00 0.00 C ATOM 1205 CE1 TYR A 80 185.417 10.252 -7.662 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.610 8.902 -9.238 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.481 10.074 -8.522 1.00 0.00 C ATOM 1208 OH TYR A 80 187.419 11.071 -8.666 1.00 0.00 O ATOM 0 H TYR A 80 184.656 4.536 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 80 183.589 7.133 -5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.733 6.191 -8.815 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.565 7.371 -8.255 1.00 0.00 H new ATOM 0 HD1 TYR A 80 183.647 9.390 -6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 80 185.770 6.988 -9.652 1.00 0.00 H new ATOM 0 HE1 TYR A 80 185.318 11.171 -7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.444 8.765 -9.910 1.00 0.00 H new ATOM 0 HH TYR A 80 188.103 10.787 -9.308 1.00 0.00 H new ATOM 1218 N PHE A 81 181.413 5.911 -5.608 1.00 0.00 N ATOM 1219 CA PHE A 81 180.229 5.103 -5.326 1.00 0.00 C ATOM 1220 C PHE A 81 179.065 5.903 -4.761 1.00 0.00 C ATOM 1221 O PHE A 81 179.136 7.119 -4.584 1.00 0.00 O ATOM 1222 CB PHE A 81 180.583 4.006 -4.321 1.00 0.00 C ATOM 1223 CG PHE A 81 181.497 4.467 -3.219 1.00 0.00 C ATOM 1224 CD1 PHE A 81 181.129 5.522 -2.398 1.00 0.00 C ATOM 1225 CD2 PHE A 81 182.716 3.848 -3.001 1.00 0.00 C ATOM 1226 CE1 PHE A 81 181.962 5.949 -1.381 1.00 0.00 C ATOM 1227 CE2 PHE A 81 183.553 4.271 -1.987 1.00 0.00 C ATOM 1228 CZ PHE A 81 183.175 5.323 -1.176 1.00 0.00 C ATOM 0 H PHE A 81 181.455 6.806 -5.120 1.00 0.00 H new ATOM 0 HA PHE A 81 179.912 4.689 -6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.664 3.619 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.056 3.179 -4.851 1.00 0.00 H new ATOM 0 HD1 PHE A 81 180.181 6.015 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 81 183.016 3.024 -3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 81 181.664 6.771 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 81 184.502 3.780 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 81 183.828 5.655 -0.382 1.00 0.00 H new ATOM 1238 N TRP A 82 178.005 5.164 -4.455 1.00 0.00 N ATOM 1239 CA TRP A 82 176.791 5.715 -3.870 1.00 0.00 C ATOM 1240 C TRP A 82 176.090 4.623 -3.066 1.00 0.00 C ATOM 1241 O TRP A 82 175.983 3.486 -3.524 1.00 0.00 O ATOM 1242 CB TRP A 82 175.864 6.282 -4.951 1.00 0.00 C ATOM 1243 CG TRP A 82 175.321 5.254 -5.896 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.925 4.769 -7.020 1.00 0.00 C ATOM 1245 CD2 TRP A 82 174.051 4.597 -5.807 1.00 0.00 C ATOM 1246 NE1 TRP A 82 175.110 3.847 -7.633 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.955 3.723 -6.908 1.00 0.00 C ATOM 1248 CE3 TRP A 82 172.986 4.662 -4.904 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.838 2.920 -7.125 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.877 3.865 -5.123 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.812 3.004 -6.225 1.00 0.00 C ATOM 0 H TRP A 82 177.965 4.156 -4.608 1.00 0.00 H new ATOM 0 HA TRP A 82 177.053 6.540 -3.208 1.00 0.00 H new ATOM 0 HB2 TRP A 82 175.030 6.791 -4.468 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.408 7.033 -5.523 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.900 5.066 -7.376 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.330 3.338 -8.489 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.028 5.323 -4.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.784 2.255 -7.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 171.048 3.908 -4.433 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.933 2.393 -6.367 1.00 0.00 H new ATOM 1262 N THR A 83 175.634 4.954 -1.859 1.00 0.00 N ATOM 1263 CA THR A 83 174.974 3.960 -1.008 1.00 0.00 C ATOM 1264 C THR A 83 173.464 4.093 -1.084 1.00 0.00 C ATOM 1265 O THR A 83 172.955 5.078 -1.601 1.00 0.00 O ATOM 1266 CB THR A 83 175.431 4.105 0.443 1.00 0.00 C ATOM 1267 OG1 THR A 83 175.049 5.363 0.967 1.00 0.00 O ATOM 1268 CG2 THR A 83 176.927 3.966 0.616 1.00 0.00 C ATOM 0 H THR A 83 175.706 5.886 -1.451 1.00 0.00 H new ATOM 0 HA THR A 83 175.256 2.973 -1.374 1.00 0.00 H new ATOM 0 HB THR A 83 174.944 3.292 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 83 175.377 5.448 1.887 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.184 4.079 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 83 177.244 2.982 0.269 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.434 4.736 0.034 1.00 0.00 H new ATOM 1276 N TYR A 84 172.753 3.089 -0.581 1.00 0.00 N ATOM 1277 CA TYR A 84 171.300 3.095 -0.604 1.00 0.00 C ATOM 1278 C TYR A 84 170.739 2.320 0.586 1.00 0.00 C ATOM 1279 O TYR A 84 170.827 1.097 0.634 1.00 0.00 O ATOM 1280 CB TYR A 84 170.818 2.466 -1.903 1.00 0.00 C ATOM 1281 CG TYR A 84 169.313 2.423 -2.045 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.534 3.519 -1.699 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.672 1.288 -2.528 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.159 3.488 -1.830 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.297 1.248 -2.662 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.545 2.351 -2.312 1.00 0.00 C ATOM 1287 OH TYR A 84 165.176 2.315 -2.444 1.00 0.00 O ATOM 0 H TYR A 84 173.164 2.260 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 84 170.949 4.125 -0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.236 3.023 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.208 1.450 -1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.011 4.411 -1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.258 0.423 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.568 4.350 -1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.814 0.359 -3.038 1.00 0.00 H new ATOM 0 HH TYR A 84 164.904 1.442 -2.798 1.00 0.00 H new ATOM 1297 N VAL A 85 170.160 3.035 1.545 1.00 0.00 N ATOM 1298 CA VAL A 85 169.591 2.390 2.727 1.00 0.00 C ATOM 1299 C VAL A 85 168.069 2.319 2.622 1.00 0.00 C ATOM 1300 O VAL A 85 167.473 2.942 1.747 1.00 0.00 O ATOM 1301 CB VAL A 85 170.008 3.115 4.045 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.976 4.254 3.764 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.802 3.640 4.823 1.00 0.00 C ATOM 0 H VAL A 85 170.072 4.051 1.530 1.00 0.00 H new ATOM 0 HA VAL A 85 169.992 1.377 2.766 1.00 0.00 H new ATOM 0 HB VAL A 85 170.507 2.369 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.248 4.740 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.873 3.860 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.502 4.980 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.143 4.136 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.252 4.351 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.149 2.808 5.087 1.00 0.00 H new ATOM 1313 N ILE A 86 167.453 1.565 3.532 1.00 0.00 N ATOM 1314 CA ILE A 86 166.001 1.421 3.566 1.00 0.00 C ATOM 1315 C ILE A 86 165.510 1.318 4.997 1.00 0.00 C ATOM 1316 O ILE A 86 165.605 0.260 5.613 1.00 0.00 O ATOM 1317 CB ILE A 86 165.515 0.175 2.808 1.00 0.00 C ATOM 1318 CG1 ILE A 86 166.127 0.127 1.419 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.995 0.163 2.722 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.701 1.263 0.528 1.00 0.00 C ATOM 0 H ILE A 86 167.942 1.042 4.259 1.00 0.00 H new ATOM 0 HA ILE A 86 165.597 2.309 3.079 1.00 0.00 H new ATOM 0 HB ILE A 86 165.836 -0.710 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.213 0.137 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.855 -0.816 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.668 -0.726 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.574 0.153 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.653 1.054 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 86 166.179 1.160 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.618 1.243 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.997 2.210 0.979 1.00 0.00 H new ATOM 1332 N LYS A 87 164.981 2.420 5.512 1.00 0.00 N ATOM 1333 CA LYS A 87 164.465 2.462 6.874 1.00 0.00 C ATOM 1334 C LYS A 87 162.957 2.231 6.882 1.00 0.00 C ATOM 1335 O LYS A 87 162.186 3.101 7.289 1.00 0.00 O ATOM 1336 CB LYS A 87 164.795 3.809 7.523 1.00 0.00 C ATOM 1337 CG LYS A 87 164.712 3.792 9.040 1.00 0.00 C ATOM 1338 CD LYS A 87 164.463 5.185 9.599 1.00 0.00 C ATOM 1339 CE LYS A 87 163.643 5.134 10.877 1.00 0.00 C ATOM 1340 NZ LYS A 87 164.501 5.217 12.091 1.00 0.00 N ATOM 0 H LYS A 87 164.898 3.301 5.004 1.00 0.00 H new ATOM 0 HA LYS A 87 164.941 1.667 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.800 4.109 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.110 4.565 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 87 163.910 3.124 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.639 3.394 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 87 165.417 5.675 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 87 163.943 5.789 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 87 162.927 5.956 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 87 163.067 4.209 10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 163.904 5.179 12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 165.168 4.419 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 165.032 6.111 12.081 1.00 0.00 H new ATOM 1354 N ASP A 88 162.542 1.053 6.424 1.00 0.00 N ATOM 1355 CA ASP A 88 161.125 0.710 6.372 1.00 0.00 C ATOM 1356 C ASP A 88 160.387 1.626 5.400 1.00 0.00 C ATOM 1357 O ASP A 88 159.498 2.381 5.794 1.00 0.00 O ATOM 1358 CB ASP A 88 160.499 0.805 7.765 1.00 0.00 C ATOM 1359 CG ASP A 88 159.333 -0.147 7.942 1.00 0.00 C ATOM 1360 OD1 ASP A 88 159.386 -1.263 7.381 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.366 0.222 8.642 1.00 0.00 O ATOM 0 H ASP A 88 163.166 0.321 6.084 1.00 0.00 H new ATOM 0 HA ASP A 88 161.035 -0.317 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 88 161.258 0.589 8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 88 160.160 1.826 7.939 1.00 0.00 H new ATOM 1366 N GLY A 89 160.767 1.556 4.127 1.00 0.00 N ATOM 1367 CA GLY A 89 160.136 2.387 3.118 1.00 0.00 C ATOM 1368 C GLY A 89 160.639 3.818 3.155 1.00 0.00 C ATOM 1369 O GLY A 89 159.928 4.741 2.761 1.00 0.00 O ATOM 0 H GLY A 89 161.500 0.939 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.324 1.963 2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 89 159.056 2.380 3.267 1.00 0.00 H new ATOM 1373 N LEU A 90 161.867 3.997 3.630 1.00 0.00 N ATOM 1374 CA LEU A 90 162.472 5.325 3.724 1.00 0.00 C ATOM 1375 C LEU A 90 163.955 5.248 3.407 1.00 0.00 C ATOM 1376 O LEU A 90 164.803 5.360 4.292 1.00 0.00 O ATOM 1377 CB LEU A 90 162.262 5.904 5.121 1.00 0.00 C ATOM 1378 CG LEU A 90 160.895 5.602 5.724 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.864 5.969 7.199 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.811 6.342 4.957 1.00 0.00 C ATOM 0 H LEU A 90 162.466 3.239 3.957 1.00 0.00 H new ATOM 0 HA LEU A 90 161.991 5.980 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 90 163.034 5.512 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.397 6.985 5.078 1.00 0.00 H new ATOM 0 HG LEU A 90 160.706 4.532 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.879 5.745 7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.619 5.392 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 90 161.072 7.033 7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.838 6.119 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.996 7.415 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.820 6.023 3.915 1.00 0.00 H new ATOM 1392 N GLY A 91 164.252 5.025 2.140 1.00 0.00 N ATOM 1393 CA GLY A 91 165.619 4.897 1.711 1.00 0.00 C ATOM 1394 C GLY A 91 166.371 6.209 1.623 1.00 0.00 C ATOM 1395 O GLY A 91 165.777 7.284 1.538 1.00 0.00 O ATOM 0 H GLY A 91 163.561 4.930 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.144 4.237 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.637 4.415 0.733 1.00 0.00 H new ATOM 1399 N TYR A 92 167.692 6.092 1.631 1.00 0.00 N ATOM 1400 CA TYR A 92 168.592 7.238 1.539 1.00 0.00 C ATOM 1401 C TYR A 92 169.899 6.789 0.899 1.00 0.00 C ATOM 1402 O TYR A 92 170.369 5.684 1.167 1.00 0.00 O ATOM 1403 CB TYR A 92 168.849 7.829 2.926 1.00 0.00 C ATOM 1404 CG TYR A 92 167.583 8.158 3.683 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.809 9.256 3.333 1.00 0.00 C ATOM 1406 CD2 TYR A 92 167.161 7.369 4.746 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.647 9.560 4.021 1.00 0.00 C ATOM 1408 CE2 TYR A 92 166.001 7.665 5.437 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.248 8.762 5.071 1.00 0.00 C ATOM 1410 OH TYR A 92 164.095 9.060 5.759 1.00 0.00 O ATOM 0 H TYR A 92 168.174 5.196 1.702 1.00 0.00 H new ATOM 0 HA TYR A 92 168.134 8.013 0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.439 7.123 3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.447 8.734 2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 92 167.119 9.883 2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.749 6.511 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 92 165.056 10.418 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.685 7.041 6.260 1.00 0.00 H new ATOM 0 HH TYR A 92 163.957 8.398 6.468 1.00 0.00 H new ATOM 1420 N ARG A 93 170.482 7.618 0.036 1.00 0.00 N ATOM 1421 CA ARG A 93 171.715 7.236 -0.629 1.00 0.00 C ATOM 1422 C ARG A 93 172.848 8.207 -0.369 1.00 0.00 C ATOM 1423 O ARG A 93 172.652 9.419 -0.303 1.00 0.00 O ATOM 1424 CB ARG A 93 171.498 7.123 -2.136 1.00 0.00 C ATOM 1425 CG ARG A 93 170.988 8.403 -2.779 1.00 0.00 C ATOM 1426 CD ARG A 93 169.936 8.114 -3.838 1.00 0.00 C ATOM 1427 NE ARG A 93 169.355 9.340 -4.381 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.534 9.371 -5.429 1.00 0.00 C ATOM 1429 NH1 ARG A 93 168.193 8.246 -6.047 1.00 0.00 N ATOM 1430 NH2 ARG A 93 168.051 10.528 -5.858 1.00 0.00 N ATOM 0 H ARG A 93 170.125 8.541 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 93 171.998 6.269 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.438 6.839 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.787 6.320 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 93 170.565 9.053 -2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.821 8.942 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 93 170.384 7.536 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.146 7.499 -3.406 1.00 0.00 H new ATOM 0 HE ARG A 93 169.592 10.224 -3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 93 168.560 7.353 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 93 167.564 8.275 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 93 168.308 11.395 -5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 93 167.422 10.552 -6.661 1.00 0.00 H new ATOM 1444 N GLN A 94 174.046 7.650 -0.271 1.00 0.00 N ATOM 1445 CA GLN A 94 175.245 8.440 -0.071 1.00 0.00 C ATOM 1446 C GLN A 94 176.017 8.490 -1.375 1.00 0.00 C ATOM 1447 O GLN A 94 177.074 7.873 -1.510 1.00 0.00 O ATOM 1448 CB GLN A 94 176.113 7.850 1.039 1.00 0.00 C ATOM 1449 CG GLN A 94 177.199 8.795 1.525 1.00 0.00 C ATOM 1450 CD GLN A 94 178.419 8.064 2.049 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.337 6.898 2.438 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.558 8.744 2.062 1.00 0.00 N ATOM 0 H GLN A 94 174.211 6.645 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 94 174.964 9.448 0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.477 7.577 1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.576 6.932 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.497 9.451 0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 94 176.796 9.431 2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.580 9.708 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.412 8.303 2.404 1.00 0.00 H new ATOM 1461 N ASP A 95 175.455 9.200 -2.346 1.00 0.00 N ATOM 1462 CA ASP A 95 176.065 9.316 -3.663 1.00 0.00 C ATOM 1463 C ASP A 95 177.210 10.316 -3.661 1.00 0.00 C ATOM 1464 O ASP A 95 177.486 10.967 -2.654 1.00 0.00 O ATOM 1465 CB ASP A 95 175.019 9.733 -4.696 1.00 0.00 C ATOM 1466 CG ASP A 95 174.308 11.016 -4.316 1.00 0.00 C ATOM 1467 OD1 ASP A 95 174.940 12.090 -4.393 1.00 0.00 O ATOM 1468 OD2 ASP A 95 173.119 10.947 -3.940 1.00 0.00 O ATOM 0 H ASP A 95 174.575 9.705 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 95 176.468 8.338 -3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.501 9.862 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.286 8.935 -4.809 1.00 0.00 H new ATOM 1473 N ASN A 96 177.876 10.426 -4.804 1.00 0.00 N ATOM 1474 CA ASN A 96 178.998 11.338 -4.953 1.00 0.00 C ATOM 1475 C ASN A 96 180.127 10.973 -3.989 1.00 0.00 C ATOM 1476 O ASN A 96 181.017 11.782 -3.726 1.00 0.00 O ATOM 1477 CB ASN A 96 178.535 12.774 -4.711 1.00 0.00 C ATOM 1478 CG ASN A 96 179.653 13.787 -4.875 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.090 14.071 -5.989 1.00 0.00 O ATOM 1480 ND2 ASN A 96 180.120 14.337 -3.759 1.00 0.00 N ATOM 0 H ASN A 96 177.655 9.891 -5.644 1.00 0.00 H new ATOM 0 HA ASN A 96 179.382 11.254 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.729 13.013 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.123 12.854 -3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.871 15.025 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.727 14.071 -2.856 1.00 0.00 H new ATOM 1487 N GLY A 97 180.089 9.749 -3.467 1.00 0.00 N ATOM 1488 CA GLY A 97 181.120 9.311 -2.546 1.00 0.00 C ATOM 1489 C GLY A 97 182.409 8.963 -3.255 1.00 0.00 C ATOM 1490 O GLY A 97 182.429 8.791 -4.475 1.00 0.00 O ATOM 0 H GLY A 97 179.366 9.057 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.310 10.097 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.765 8.441 -1.993 1.00 0.00 H new ATOM 1494 N GLU A 98 183.488 8.857 -2.493 1.00 0.00 N ATOM 1495 CA GLU A 98 184.789 8.529 -3.060 1.00 0.00 C ATOM 1496 C GLU A 98 185.688 7.857 -2.028 1.00 0.00 C ATOM 1497 O GLU A 98 185.560 8.090 -0.826 1.00 0.00 O ATOM 1498 CB GLU A 98 185.467 9.792 -3.594 1.00 0.00 C ATOM 1499 CG GLU A 98 185.793 10.809 -2.515 1.00 0.00 C ATOM 1500 CD GLU A 98 186.285 12.127 -3.081 1.00 0.00 C ATOM 1501 OE1 GLU A 98 185.443 12.924 -3.547 1.00 0.00 O ATOM 1502 OE2 GLU A 98 187.511 12.363 -3.060 1.00 0.00 O ATOM 0 H GLU A 98 183.489 8.993 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 98 184.629 7.830 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 98 186.387 9.511 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 98 184.818 10.257 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 98 184.904 10.988 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.553 10.397 -1.851 1.00 0.00 H new ATOM 1509 N TRP A 99 186.604 7.026 -2.512 1.00 0.00 N ATOM 1510 CA TRP A 99 187.537 6.318 -1.646 1.00 0.00 C ATOM 1511 C TRP A 99 188.866 6.098 -2.377 1.00 0.00 C ATOM 1512 O TRP A 99 188.944 6.266 -3.594 1.00 0.00 O ATOM 1513 CB TRP A 99 186.922 4.995 -1.181 1.00 0.00 C ATOM 1514 CG TRP A 99 187.807 4.207 -0.270 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.439 4.654 0.856 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.151 2.829 -0.406 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.174 3.639 1.414 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.010 2.508 0.658 1.00 0.00 C ATOM 1519 CE3 TRP A 99 187.820 1.836 -1.331 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 189.542 1.235 0.821 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 188.347 0.572 -1.167 1.00 0.00 C ATOM 1522 CH2 TRP A 99 189.200 0.280 -0.100 1.00 0.00 C ATOM 0 H TRP A 99 186.720 6.826 -3.505 1.00 0.00 H new ATOM 0 HA TRP A 99 187.739 6.920 -0.760 1.00 0.00 H new ATOM 0 HB2 TRP A 99 185.982 5.202 -0.670 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.683 4.389 -2.055 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.370 5.658 1.249 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.748 3.714 2.254 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.163 2.054 -2.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.202 1.006 1.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 188.096 -0.204 -1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 99 189.598 -0.719 0.001 1.00 0.00 H new ATOM 1533 N THR A 100 189.916 5.766 -1.632 1.00 0.00 N ATOM 1534 CA THR A 100 191.244 5.577 -2.216 1.00 0.00 C ATOM 1535 C THR A 100 191.673 4.113 -2.276 1.00 0.00 C ATOM 1536 O THR A 100 191.185 3.271 -1.524 1.00 0.00 O ATOM 1537 CB THR A 100 192.272 6.344 -1.384 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.491 6.481 -2.091 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.581 5.676 -0.050 1.00 0.00 C ATOM 0 H THR A 100 189.875 5.622 -0.623 1.00 0.00 H new ATOM 0 HA THR A 100 191.192 5.948 -3.239 1.00 0.00 H new ATOM 0 HB THR A 100 191.820 7.317 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.134 6.976 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.317 6.270 0.492 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.668 5.603 0.540 1.00 0.00 H new ATOM 0 HG23 THR A 100 192.980 4.677 -0.227 1.00 0.00 H new ATOM 1547 N VAL A 101 192.633 3.842 -3.159 1.00 0.00 N ATOM 1548 CA VAL A 101 193.195 2.503 -3.311 1.00 0.00 C ATOM 1549 C VAL A 101 194.692 2.503 -2.997 1.00 0.00 C ATOM 1550 O VAL A 101 195.332 1.452 -2.983 1.00 0.00 O ATOM 1551 CB VAL A 101 193.004 1.955 -4.735 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.354 0.477 -4.775 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.579 2.191 -5.214 1.00 0.00 C ATOM 0 H VAL A 101 193.039 4.538 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 101 192.660 1.864 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 101 193.675 2.487 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.216 0.098 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.393 0.341 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.705 -0.069 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.464 1.796 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.882 1.686 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.368 3.260 -5.217 1.00 0.00 H new ATOM 1563 N THR A 102 195.247 3.693 -2.754 1.00 0.00 N ATOM 1564 CA THR A 102 196.671 3.835 -2.452 1.00 0.00 C ATOM 1565 C THR A 102 197.027 3.248 -1.086 1.00 0.00 C ATOM 1566 O THR A 102 198.200 3.201 -0.715 1.00 0.00 O ATOM 1567 CB THR A 102 197.076 5.313 -2.494 1.00 0.00 C ATOM 1568 OG1 THR A 102 196.739 5.959 -1.280 1.00 0.00 O ATOM 1569 CG2 THR A 102 196.428 6.089 -3.621 1.00 0.00 C ATOM 0 H THR A 102 194.730 4.572 -2.761 1.00 0.00 H new ATOM 0 HA THR A 102 197.220 3.279 -3.212 1.00 0.00 H new ATOM 0 HB THR A 102 198.154 5.308 -2.657 1.00 0.00 H new ATOM 0 HG1 THR A 102 197.007 6.901 -1.325 1.00 0.00 H new ATOM 0 HG21 THR A 102 196.761 7.126 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 102 196.711 5.648 -4.577 1.00 0.00 H new ATOM 0 HG23 THR A 102 195.344 6.053 -3.512 1.00 0.00 H new ATOM 1577 N GLU A 103 196.023 2.805 -0.336 1.00 0.00 N ATOM 1578 CA GLU A 103 196.262 2.234 0.983 1.00 0.00 C ATOM 1579 C GLU A 103 195.439 0.969 1.189 1.00 0.00 C ATOM 1580 O GLU A 103 194.343 0.834 0.645 1.00 0.00 O ATOM 1581 CB GLU A 103 195.931 3.254 2.073 1.00 0.00 C ATOM 1582 CG GLU A 103 196.572 2.939 3.416 1.00 0.00 C ATOM 1583 CD GLU A 103 197.721 3.872 3.748 1.00 0.00 C ATOM 1584 OE1 GLU A 103 197.454 4.997 4.217 1.00 0.00 O ATOM 1585 OE2 GLU A 103 198.886 3.474 3.541 1.00 0.00 O ATOM 0 H GLU A 103 195.043 2.830 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 103 197.318 1.972 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 103 196.258 4.241 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 103 194.849 3.301 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 103 195.817 3.006 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 103 196.934 1.911 3.409 1.00 0.00 H new ATOM 1592 N PHE A 104 195.972 0.043 1.979 1.00 0.00 N ATOM 1593 CA PHE A 104 195.285 -1.208 2.261 1.00 0.00 C ATOM 1594 C PHE A 104 195.338 -1.507 3.750 1.00 0.00 C ATOM 1595 O PHE A 104 196.302 -1.144 4.422 1.00 0.00 O ATOM 1596 CB PHE A 104 195.924 -2.356 1.476 1.00 0.00 C ATOM 1597 CG PHE A 104 195.831 -2.199 -0.016 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.476 -1.154 -0.660 1.00 0.00 C ATOM 1599 CD2 PHE A 104 195.100 -3.098 -0.776 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.393 -1.010 -2.032 1.00 0.00 C ATOM 1601 CE2 PHE A 104 195.014 -2.960 -2.149 1.00 0.00 C ATOM 1602 CZ PHE A 104 195.661 -1.914 -2.778 1.00 0.00 C ATOM 0 H PHE A 104 196.879 0.137 2.435 1.00 0.00 H new ATOM 0 HA PHE A 104 194.244 -1.110 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 104 196.974 -2.436 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 104 195.444 -3.291 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.050 -0.444 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 104 194.591 -3.917 -0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 104 196.900 -0.191 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.442 -3.669 -2.729 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.595 -1.803 -3.850 1.00 0.00 H new ATOM 1612 N VAL A 105 194.309 -2.167 4.268 1.00 0.00 N ATOM 1613 CA VAL A 105 194.274 -2.499 5.683 1.00 0.00 C ATOM 1614 C VAL A 105 194.717 -3.936 5.915 1.00 0.00 C ATOM 1615 O VAL A 105 194.856 -4.721 4.977 1.00 0.00 O ATOM 1616 CB VAL A 105 192.879 -2.271 6.305 1.00 0.00 C ATOM 1617 CG1 VAL A 105 192.373 -0.877 5.971 1.00 0.00 C ATOM 1618 CG2 VAL A 105 191.889 -3.330 5.834 1.00 0.00 C ATOM 0 H VAL A 105 193.497 -2.479 3.735 1.00 0.00 H new ATOM 0 HA VAL A 105 194.972 -1.824 6.179 1.00 0.00 H new ATOM 0 HB VAL A 105 192.971 -2.358 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 105 191.389 -0.731 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.065 -0.134 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 105 192.302 -0.765 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 105 190.915 -3.145 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 105 191.798 -3.286 4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.245 -4.317 6.129 1.00 0.00 H new ATOM 1628 N ASN A 106 194.956 -4.259 7.173 1.00 0.00 N ATOM 1629 CA ASN A 106 195.410 -5.586 7.561 1.00 0.00 C ATOM 1630 C ASN A 106 194.252 -6.468 7.973 1.00 0.00 C ATOM 1631 O ASN A 106 193.259 -5.991 8.525 1.00 0.00 O ATOM 1632 CB ASN A 106 196.399 -5.467 8.722 1.00 0.00 C ATOM 1633 CG ASN A 106 197.841 -5.474 8.263 1.00 0.00 C ATOM 1634 OD1 ASN A 106 198.620 -4.521 8.755 1.00 0.00 O flip ATOM 1635 ND2 ASN A 106 198.249 -6.326 7.473 1.00 0.00 N flip ATOM 0 H ASN A 106 194.842 -3.613 7.954 1.00 0.00 H new ATOM 0 HA ASN A 106 195.896 -6.044 6.699 1.00 0.00 H new ATOM 0 HB2 ASN A 106 196.201 -4.546 9.270 1.00 0.00 H new ATOM 0 HB3 ASN A 106 196.239 -6.292 9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 106 197.613 -7.041 7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 106 199.223 -6.317 7.171 1.00 0.00 H new ATOM 1642 N GLU A 107 194.402 -7.770 7.746 1.00 0.00 N ATOM 1643 CA GLU A 107 193.379 -8.719 8.146 1.00 0.00 C ATOM 1644 C GLU A 107 193.111 -8.550 9.637 1.00 0.00 C ATOM 1645 O GLU A 107 192.067 -8.956 10.148 1.00 0.00 O ATOM 1646 CB GLU A 107 193.824 -10.152 7.845 1.00 0.00 C ATOM 1647 CG GLU A 107 195.231 -10.467 8.327 1.00 0.00 C ATOM 1648 CD GLU A 107 195.360 -11.877 8.866 1.00 0.00 C ATOM 1649 OE1 GLU A 107 194.789 -12.157 9.942 1.00 0.00 O ATOM 1650 OE2 GLU A 107 196.031 -12.704 8.212 1.00 0.00 O ATOM 0 H GLU A 107 195.215 -8.185 7.291 1.00 0.00 H new ATOM 0 HA GLU A 107 192.466 -8.528 7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 107 193.125 -10.846 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 107 193.771 -10.322 6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 107 195.932 -10.331 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 107 195.512 -9.757 9.105 1.00 0.00 H new ATOM 1657 N ASP A 108 194.069 -7.918 10.322 1.00 0.00 N ATOM 1658 CA ASP A 108 193.948 -7.656 11.747 1.00 0.00 C ATOM 1659 C ASP A 108 192.846 -6.633 11.994 1.00 0.00 C ATOM 1660 O ASP A 108 192.178 -6.663 13.028 1.00 0.00 O ATOM 1661 CB ASP A 108 195.275 -7.147 12.311 1.00 0.00 C ATOM 1662 CG ASP A 108 196.313 -8.246 12.432 1.00 0.00 C ATOM 1663 OD1 ASP A 108 196.266 -9.198 11.625 1.00 0.00 O ATOM 1664 OD2 ASP A 108 197.172 -8.155 13.334 1.00 0.00 O ATOM 0 H ASP A 108 194.937 -7.580 9.905 1.00 0.00 H new ATOM 0 HA ASP A 108 193.691 -8.586 12.254 1.00 0.00 H new ATOM 0 HB2 ASP A 108 195.661 -6.356 11.667 1.00 0.00 H new ATOM 0 HB3 ASP A 108 195.103 -6.704 13.292 1.00 0.00 H new ATOM 1669 N GLY A 109 192.653 -5.731 11.030 1.00 0.00 N ATOM 1670 CA GLY A 109 191.619 -4.725 11.166 1.00 0.00 C ATOM 1671 C GLY A 109 192.159 -3.309 11.191 1.00 0.00 C ATOM 1672 O GLY A 109 191.501 -2.402 11.701 1.00 0.00 O ATOM 0 H GLY A 109 193.192 -5.682 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 109 190.915 -4.823 10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 109 191.061 -4.910 12.084 1.00 0.00 H new ATOM 1676 N THR A 110 193.348 -3.105 10.629 1.00 0.00 N ATOM 1677 CA THR A 110 193.935 -1.771 10.594 1.00 0.00 C ATOM 1678 C THR A 110 194.813 -1.575 9.373 1.00 0.00 C ATOM 1679 O THR A 110 195.274 -2.528 8.758 1.00 0.00 O ATOM 1680 CB THR A 110 194.728 -1.478 11.864 1.00 0.00 C ATOM 1681 OG1 THR A 110 196.032 -2.023 11.780 1.00 0.00 O ATOM 1682 CG2 THR A 110 194.080 -2.020 13.119 1.00 0.00 C ATOM 0 H THR A 110 193.915 -3.835 10.198 1.00 0.00 H new ATOM 0 HA THR A 110 193.107 -1.065 10.533 1.00 0.00 H new ATOM 0 HB THR A 110 194.759 -0.391 11.936 1.00 0.00 H new ATOM 0 HG1 THR A 110 196.524 -1.822 12.603 1.00 0.00 H new ATOM 0 HG21 THR A 110 194.698 -1.775 13.983 1.00 0.00 H new ATOM 0 HG22 THR A 110 193.093 -1.574 13.241 1.00 0.00 H new ATOM 0 HG23 THR A 110 193.981 -3.103 13.039 1.00 0.00 H new ATOM 1690 N PRO A 111 195.042 -0.311 9.010 1.00 0.00 N ATOM 1691 CA PRO A 111 195.849 0.053 7.848 1.00 0.00 C ATOM 1692 C PRO A 111 197.192 -0.667 7.799 1.00 0.00 C ATOM 1693 O PRO A 111 197.974 -0.621 8.747 1.00 0.00 O ATOM 1694 CB PRO A 111 196.044 1.561 8.011 1.00 0.00 C ATOM 1695 CG PRO A 111 194.858 2.009 8.795 1.00 0.00 C ATOM 1696 CD PRO A 111 194.514 0.869 9.714 1.00 0.00 C ATOM 0 HA PRO A 111 195.360 -0.231 6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 111 196.973 1.787 8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 111 196.093 2.062 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 111 195.083 2.913 9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 111 194.022 2.246 8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 111 194.974 0.991 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 111 193.439 0.793 9.874 1.00 0.00 H new ATOM 1704 N ALA A 112 197.442 -1.331 6.676 1.00 0.00 N ATOM 1705 CA ALA A 112 198.678 -2.067 6.472 1.00 0.00 C ATOM 1706 C ALA A 112 199.856 -1.120 6.265 1.00 0.00 C ATOM 1707 O ALA A 112 200.406 -1.026 5.167 1.00 0.00 O ATOM 1708 CB ALA A 112 198.533 -3.008 5.286 1.00 0.00 C ATOM 0 H ALA A 112 196.796 -1.373 5.888 1.00 0.00 H new ATOM 0 HA ALA A 112 198.879 -2.655 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 112 199.464 -3.556 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 112 197.724 -3.713 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 112 198.307 -2.431 4.389 1.00 0.00 H new ATOM 1714 N ASP A 113 200.236 -0.417 7.327 1.00 0.00 N ATOM 1715 CA ASP A 113 201.348 0.524 7.263 1.00 0.00 C ATOM 1716 C ASP A 113 202.662 -0.204 6.997 1.00 0.00 C ATOM 1717 O ASP A 113 202.712 -1.434 6.989 1.00 0.00 O ATOM 1718 CB ASP A 113 201.449 1.319 8.566 1.00 0.00 C ATOM 1719 CG ASP A 113 201.974 2.726 8.348 1.00 0.00 C ATOM 1720 OD1 ASP A 113 202.826 2.908 7.452 1.00 0.00 O ATOM 1721 OD2 ASP A 113 201.534 3.643 9.072 1.00 0.00 O ATOM 0 H ASP A 113 199.790 -0.481 8.242 1.00 0.00 H new ATOM 0 HA ASP A 113 201.160 1.213 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 113 200.466 1.370 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 113 202.105 0.793 9.259 1.00 0.00 H new ATOM 1726 N THR A 114 203.723 0.565 6.777 1.00 0.00 N ATOM 1727 CA THR A 114 205.037 -0.006 6.509 1.00 0.00 C ATOM 1728 C THR A 114 205.913 0.031 7.757 1.00 0.00 C ATOM 1729 O THR A 114 207.126 0.218 7.672 1.00 0.00 O ATOM 1730 CB THR A 114 205.722 0.751 5.370 1.00 0.00 C ATOM 1731 OG1 THR A 114 205.397 2.129 5.417 1.00 0.00 O ATOM 1732 CG2 THR A 114 205.345 0.238 3.997 1.00 0.00 C ATOM 0 H THR A 114 203.698 1.585 6.779 1.00 0.00 H new ATOM 0 HA THR A 114 204.899 -1.046 6.215 1.00 0.00 H new ATOM 0 HB THR A 114 206.790 0.591 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 114 205.846 2.596 4.682 1.00 0.00 H new ATOM 0 HG21 THR A 114 205.866 0.819 3.236 1.00 0.00 H new ATOM 0 HG22 THR A 114 205.628 -0.811 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 114 204.269 0.336 3.855 1.00 0.00 H new ATOM 1740 N SER A 115 205.287 -0.149 8.917 1.00 0.00 N ATOM 1741 CA SER A 115 206.007 -0.136 10.186 1.00 0.00 C ATOM 1742 C SER A 115 205.699 -1.389 10.999 1.00 0.00 C ATOM 1743 O SER A 115 204.575 -1.891 10.982 1.00 0.00 O ATOM 1744 CB SER A 115 205.643 1.112 10.991 1.00 0.00 C ATOM 1745 OG SER A 115 206.547 2.172 10.728 1.00 0.00 O ATOM 0 H SER A 115 204.283 -0.306 9.004 1.00 0.00 H new ATOM 0 HA SER A 115 207.075 -0.120 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 115 204.629 1.425 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 115 205.653 0.877 12.055 1.00 0.00 H new ATOM 0 HG SER A 115 206.291 2.958 11.254 1.00 0.00 H new ATOM 1751 N LEU A 116 206.703 -1.887 11.712 1.00 0.00 N ATOM 1752 CA LEU A 116 206.540 -3.081 12.534 1.00 0.00 C ATOM 1753 C LEU A 116 206.529 -2.722 14.017 1.00 0.00 C ATOM 1754 O LEU A 116 207.440 -3.087 14.762 1.00 0.00 O ATOM 1755 CB LEU A 116 207.659 -4.083 12.244 1.00 0.00 C ATOM 1756 CG LEU A 116 207.536 -4.824 10.912 1.00 0.00 C ATOM 1757 CD1 LEU A 116 207.764 -3.871 9.749 1.00 0.00 C ATOM 1758 CD2 LEU A 116 208.519 -5.983 10.855 1.00 0.00 C ATOM 0 H LEU A 116 207.639 -1.482 11.738 1.00 0.00 H new ATOM 0 HA LEU A 116 205.583 -3.538 12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 116 208.612 -3.555 12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 116 207.686 -4.817 13.049 1.00 0.00 H new ATOM 0 HG LEU A 116 206.526 -5.226 10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 116 207.673 -4.415 8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 116 207.021 -3.074 9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 116 208.762 -3.439 9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 116 208.418 -6.499 9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 116 209.536 -5.603 10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 116 208.309 -6.678 11.668 1.00 0.00 H new ATOM 1770 N GLU A 117 205.494 -2.007 14.440 1.00 0.00 N ATOM 1771 CA GLU A 117 205.363 -1.599 15.834 1.00 0.00 C ATOM 1772 C GLU A 117 204.897 -2.769 16.700 1.00 0.00 C ATOM 1773 O GLU A 117 203.824 -3.328 16.472 1.00 0.00 O ATOM 1774 CB GLU A 117 204.378 -0.432 15.955 1.00 0.00 C ATOM 1775 CG GLU A 117 205.050 0.903 16.231 1.00 0.00 C ATOM 1776 CD GLU A 117 204.053 2.017 16.480 1.00 0.00 C ATOM 1777 OE1 GLU A 117 203.659 2.213 17.649 1.00 0.00 O ATOM 1778 OE2 GLU A 117 203.664 2.695 15.505 1.00 0.00 O ATOM 0 H GLU A 117 204.732 -1.697 13.837 1.00 0.00 H new ATOM 0 HA GLU A 117 206.342 -1.276 16.188 1.00 0.00 H new ATOM 0 HB2 GLU A 117 203.802 -0.356 15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 117 203.670 -0.646 16.756 1.00 0.00 H new ATOM 0 HG2 GLU A 117 205.703 0.804 17.098 1.00 0.00 H new ATOM 0 HG3 GLU A 117 205.683 1.169 15.384 1.00 0.00 H new ATOM 1785 N PRO A 118 205.696 -3.159 17.711 1.00 0.00 N ATOM 1786 CA PRO A 118 205.349 -4.268 18.604 1.00 0.00 C ATOM 1787 C PRO A 118 204.194 -3.922 19.536 1.00 0.00 C ATOM 1788 O PRO A 118 204.249 -2.849 20.173 1.00 0.00 O ATOM 1789 CB PRO A 118 206.632 -4.495 19.405 1.00 0.00 C ATOM 1790 CG PRO A 118 207.326 -3.178 19.390 1.00 0.00 C ATOM 1791 CD PRO A 118 206.996 -2.553 18.062 1.00 0.00 C ATOM 0 HA PRO A 118 205.015 -5.146 18.051 1.00 0.00 H new ATOM 0 HB2 PRO A 118 206.411 -4.815 20.423 1.00 0.00 H new ATOM 0 HB3 PRO A 118 207.248 -5.272 18.953 1.00 0.00 H new ATOM 0 HG2 PRO A 118 206.987 -2.549 20.213 1.00 0.00 H new ATOM 0 HG3 PRO A 118 208.403 -3.302 19.506 1.00 0.00 H new ATOM 0 HD2 PRO A 118 206.927 -1.468 18.135 1.00 0.00 H new ATOM 0 HD3 PRO A 118 207.757 -2.774 17.314 1.00 0.00 H new TER 1799 PRO A 118