USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 663 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 21 HIS : no HE2:sc= -0.265 K(o=-0.18,f=-7.5!) USER MOD Set 1.2: A 80 SER OG : rot -150:sc= 0.0826 USER MOD Set 2.1: A 74 GLN : amide:sc= 0.785 K(o=1.4,f=-0.0032) USER MOD Set 2.2: A 75 THR OG1 : rot -69:sc= 0.658 USER MOD Set 3.1: A 38 ASN : amide:sc= 2.35 K(o=3.5,f=-5.6!) USER MOD Set 3.2: A 48 LYS NZ :NH3+ -138:sc= 1.14 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.472) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.03 K(o=-1,f=-0.012) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= 1.16 (180deg=0.92) USER MOD Single : A 14 MET CE :methyl 168:sc= 0 (180deg=-0.0442) USER MOD Single : A 27 HIS : no HD1:sc= -0.0227 K(o=-0.023,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0.91) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.86 K(o=-0.86,f=-0.14) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= 0.523 (180deg=-0.861!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 91:sc= 0.28 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00541 USER MOD Single : A 63 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.0057) USER MOD Single : A 72 SER OG : rot 180:sc= 0.00716 USER MOD Single : A 82 TYR OH : rot 180:sc=-0.00821 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -10.774 4.589 -3.583 1.00 0.00 N ATOM 2 CA GLY A 2 -10.243 5.704 -2.798 1.00 0.00 C ATOM 3 C GLY A 2 -8.758 5.791 -2.921 1.00 0.00 C ATOM 4 O GLY A 2 -8.205 5.285 -3.882 1.00 0.00 O ATOM 0 HA2 GLY A 2 -10.694 6.637 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.517 5.578 -1.751 1.00 0.00 H new ATOM 10 N ILE A 3 -8.132 6.493 -1.973 1.00 0.00 N ATOM 11 CA ILE A 3 -6.668 6.739 -1.827 1.00 0.00 C ATOM 12 C ILE A 3 -6.097 7.651 -2.952 1.00 0.00 C ATOM 13 O ILE A 3 -5.151 8.397 -2.751 1.00 0.00 O ATOM 14 CB ILE A 3 -5.811 5.410 -1.614 1.00 0.00 C ATOM 15 CG1 ILE A 3 -4.552 5.679 -0.783 1.00 0.00 C ATOM 16 CG2 ILE A 3 -5.397 4.747 -2.929 1.00 0.00 C ATOM 17 CD1 ILE A 3 -4.819 6.179 0.624 1.00 0.00 C ATOM 0 H ILE A 3 -8.660 6.943 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.563 7.297 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.470 4.727 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.969 4.760 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.938 6.413 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.817 3.849 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.288 4.478 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.791 5.441 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.872 6.342 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.373 7.117 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.404 5.438 1.169 1.00 0.00 H new ATOM 29 N LYS A 4 -6.746 7.626 -4.090 1.00 0.00 N ATOM 30 CA LYS A 4 -6.364 8.367 -5.288 1.00 0.00 C ATOM 31 C LYS A 4 -6.496 9.891 -5.152 1.00 0.00 C ATOM 32 O LYS A 4 -5.908 10.638 -5.935 1.00 0.00 O ATOM 33 CB LYS A 4 -7.218 7.887 -6.466 1.00 0.00 C ATOM 34 CG LYS A 4 -8.717 8.057 -6.230 1.00 0.00 C ATOM 35 CD LYS A 4 -9.538 7.554 -7.395 1.00 0.00 C ATOM 36 CE LYS A 4 -11.026 7.714 -7.114 1.00 0.00 C ATOM 37 NZ LYS A 4 -11.855 7.171 -8.203 1.00 0.00 N ATOM 0 H LYS A 4 -7.590 7.069 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.305 8.167 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.933 8.439 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.004 6.836 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.004 7.520 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.939 9.110 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.272 8.104 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.309 6.505 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.275 7.207 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.257 8.770 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.795 6.923 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.956 7.885 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.401 6.321 -8.594 1.00 0.00 H new ATOM 51 N GLN A 5 -7.251 10.349 -4.184 1.00 0.00 N ATOM 52 CA GLN A 5 -7.521 11.776 -4.075 1.00 0.00 C ATOM 53 C GLN A 5 -6.743 12.462 -2.961 1.00 0.00 C ATOM 54 O GLN A 5 -7.046 13.594 -2.575 1.00 0.00 O ATOM 55 CB GLN A 5 -9.020 12.048 -4.020 1.00 0.00 C ATOM 56 CG GLN A 5 -9.776 11.283 -2.961 1.00 0.00 C ATOM 57 CD GLN A 5 -11.271 11.434 -3.127 1.00 0.00 C ATOM 58 OE1 GLN A 5 -11.764 12.454 -3.596 1.00 0.00 O ATOM 59 NE2 GLN A 5 -11.997 10.421 -2.766 1.00 0.00 N ATOM 0 H GLN A 5 -7.688 9.771 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.143 12.238 -4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.173 13.114 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.451 11.812 -4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.508 10.228 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.481 11.639 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.554 9.588 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.011 10.458 -2.869 1.00 0.00 H new ATOM 68 N TYR A 6 -5.737 11.796 -2.471 1.00 0.00 N ATOM 69 CA TYR A 6 -4.818 12.399 -1.520 1.00 0.00 C ATOM 70 C TYR A 6 -3.629 12.927 -2.294 1.00 0.00 C ATOM 71 O TYR A 6 -3.510 12.664 -3.506 1.00 0.00 O ATOM 72 CB TYR A 6 -4.325 11.379 -0.489 1.00 0.00 C ATOM 73 CG TYR A 6 -5.384 10.815 0.424 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.242 9.825 -0.007 1.00 0.00 C ATOM 75 CD2 TYR A 6 -5.505 11.259 1.730 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.191 9.293 0.827 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.459 10.731 2.573 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.298 9.746 2.114 1.00 0.00 C ATOM 79 OH TYR A 6 -8.247 9.210 2.945 1.00 0.00 O ATOM 0 H TYR A 6 -5.523 10.828 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.335 13.195 -0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.850 10.554 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.556 11.850 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.165 9.462 -1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.842 12.030 2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.853 8.518 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.546 11.090 3.588 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.192 9.639 3.824 1.00 0.00 H new ATOM 89 N SER A 7 -2.783 13.667 -1.647 1.00 0.00 N ATOM 90 CA SER A 7 -1.588 14.138 -2.275 1.00 0.00 C ATOM 91 C SER A 7 -0.379 13.322 -1.793 1.00 0.00 C ATOM 92 O SER A 7 -0.512 12.469 -0.902 1.00 0.00 O ATOM 93 CB SER A 7 -1.445 15.648 -2.081 1.00 0.00 C ATOM 94 OG SER A 7 -2.552 16.331 -2.661 1.00 0.00 O ATOM 0 H SER A 7 -2.899 13.960 -0.677 1.00 0.00 H new ATOM 0 HA SER A 7 -1.643 13.983 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.383 15.880 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.517 15.993 -2.537 1.00 0.00 H new ATOM 0 HG SER A 7 -2.447 17.296 -2.527 1.00 0.00 H new ATOM 100 N GLN A 8 0.770 13.591 -2.374 1.00 0.00 N ATOM 101 CA GLN A 8 1.971 12.782 -2.214 1.00 0.00 C ATOM 102 C GLN A 8 2.404 12.575 -0.757 1.00 0.00 C ATOM 103 O GLN A 8 2.581 11.438 -0.328 1.00 0.00 O ATOM 104 CB GLN A 8 3.098 13.398 -3.029 1.00 0.00 C ATOM 105 CG GLN A 8 4.371 12.609 -3.002 1.00 0.00 C ATOM 106 CD GLN A 8 5.459 13.182 -3.888 1.00 0.00 C ATOM 107 OE1 GLN A 8 6.640 13.059 -3.588 1.00 0.00 O ATOM 108 NE2 GLN A 8 5.088 13.777 -4.996 1.00 0.00 N ATOM 0 H GLN A 8 0.904 14.396 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 8 1.731 11.784 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.769 13.503 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.297 14.402 -2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.737 12.561 -1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.161 11.586 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.097 13.865 -5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.791 14.152 -5.634 1.00 0.00 H new ATOM 117 N GLU A 9 2.522 13.652 -0.019 1.00 0.00 N ATOM 118 CA GLU A 9 2.981 13.645 1.363 1.00 0.00 C ATOM 119 C GLU A 9 2.065 12.786 2.216 1.00 0.00 C ATOM 120 O GLU A 9 2.513 11.999 3.049 1.00 0.00 O ATOM 121 CB GLU A 9 3.025 15.083 1.910 1.00 0.00 C ATOM 122 CG GLU A 9 4.022 16.020 1.217 1.00 0.00 C ATOM 123 CD GLU A 9 3.782 16.253 -0.275 1.00 0.00 C ATOM 124 OE1 GLU A 9 2.615 16.410 -0.698 1.00 0.00 O ATOM 125 OE2 GLU A 9 4.762 16.291 -1.049 1.00 0.00 O ATOM 0 H GLU A 9 2.298 14.585 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 9 3.986 13.224 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.028 15.516 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.268 15.043 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.001 16.984 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.025 15.614 1.346 1.00 0.00 H new ATOM 132 N GLU A 10 0.794 12.951 1.974 1.00 0.00 N ATOM 133 CA GLU A 10 -0.275 12.184 2.612 1.00 0.00 C ATOM 134 C GLU A 10 -0.137 10.712 2.350 1.00 0.00 C ATOM 135 O GLU A 10 -0.150 9.901 3.268 1.00 0.00 O ATOM 136 CB GLU A 10 -1.599 12.651 2.070 1.00 0.00 C ATOM 137 CG GLU A 10 -2.168 13.837 2.801 1.00 0.00 C ATOM 138 CD GLU A 10 -3.291 14.475 2.055 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.016 15.202 1.073 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.451 14.295 2.441 1.00 0.00 O ATOM 0 H GLU A 10 0.448 13.642 1.308 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.212 12.345 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.481 12.907 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.312 11.828 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.520 13.521 3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.380 14.572 2.966 1.00 0.00 H new ATOM 147 N LEU A 11 -0.002 10.387 1.097 1.00 0.00 N ATOM 148 CA LEU A 11 0.119 9.025 0.643 1.00 0.00 C ATOM 149 C LEU A 11 1.369 8.378 1.216 1.00 0.00 C ATOM 150 O LEU A 11 1.342 7.224 1.625 1.00 0.00 O ATOM 151 CB LEU A 11 0.096 9.020 -0.879 1.00 0.00 C ATOM 152 CG LEU A 11 -1.227 9.504 -1.475 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.089 9.842 -2.937 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.285 8.442 -1.289 1.00 0.00 C ATOM 0 H LEU A 11 0.028 11.074 0.343 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.719 8.427 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.904 9.652 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.296 8.009 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.520 10.414 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.050 10.182 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.348 10.632 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.769 8.957 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.227 8.788 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.974 7.527 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.418 8.243 -0.226 1.00 0.00 H new ATOM 166 N LYS A 12 2.434 9.159 1.291 1.00 0.00 N ATOM 167 CA LYS A 12 3.702 8.753 1.901 1.00 0.00 C ATOM 168 C LYS A 12 3.497 8.235 3.336 1.00 0.00 C ATOM 169 O LYS A 12 4.158 7.293 3.761 1.00 0.00 O ATOM 170 CB LYS A 12 4.660 9.961 1.909 1.00 0.00 C ATOM 171 CG LYS A 12 5.356 10.265 0.589 1.00 0.00 C ATOM 172 CD LYS A 12 6.528 9.327 0.342 1.00 0.00 C ATOM 173 CE LYS A 12 7.238 9.667 -0.956 1.00 0.00 C ATOM 174 NZ LYS A 12 8.506 8.924 -1.112 1.00 0.00 N ATOM 0 H LYS A 12 2.448 10.111 0.925 1.00 0.00 H new ATOM 0 HA LYS A 12 4.127 7.938 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.098 10.844 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.422 9.791 2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.640 10.177 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.710 11.296 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.231 9.393 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.172 8.297 0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.582 9.442 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.440 10.738 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.843 9.014 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.219 9.314 -0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.349 7.920 -0.891 1.00 0.00 H new ATOM 188 N GLU A 13 2.537 8.808 4.035 1.00 0.00 N ATOM 189 CA GLU A 13 2.277 8.475 5.429 1.00 0.00 C ATOM 190 C GLU A 13 1.184 7.415 5.573 1.00 0.00 C ATOM 191 O GLU A 13 0.734 7.130 6.690 1.00 0.00 O ATOM 192 CB GLU A 13 1.846 9.727 6.178 1.00 0.00 C ATOM 193 CG GLU A 13 2.856 10.846 6.144 1.00 0.00 C ATOM 194 CD GLU A 13 4.172 10.469 6.764 1.00 0.00 C ATOM 195 OE1 GLU A 13 4.280 10.541 7.994 1.00 0.00 O ATOM 196 OE2 GLU A 13 5.117 10.118 6.020 1.00 0.00 O ATOM 0 H GLU A 13 1.912 9.519 3.655 1.00 0.00 H new ATOM 0 HA GLU A 13 3.200 8.071 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.908 10.086 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.646 9.465 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.021 11.147 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.449 11.711 6.667 1.00 0.00 H new ATOM 203 N MET A 14 0.750 6.843 4.475 1.00 0.00 N ATOM 204 CA MET A 14 -0.311 5.853 4.513 1.00 0.00 C ATOM 205 C MET A 14 0.252 4.441 4.512 1.00 0.00 C ATOM 206 O MET A 14 1.273 4.165 3.870 1.00 0.00 O ATOM 207 CB MET A 14 -1.306 6.051 3.362 1.00 0.00 C ATOM 208 CG MET A 14 -2.110 7.342 3.443 1.00 0.00 C ATOM 209 SD MET A 14 -3.189 7.411 4.889 1.00 0.00 S ATOM 210 CE MET A 14 -3.915 9.034 4.697 1.00 0.00 C ATOM 0 H MET A 14 1.112 7.043 3.543 1.00 0.00 H new ATOM 0 HA MET A 14 -0.855 5.995 5.447 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.760 6.035 2.419 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.996 5.207 3.345 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.425 8.189 3.467 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.713 7.445 2.541 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.754 9.141 5.384 1.00 0.00 H new ATOM 0 HE2 MET A 14 -3.167 9.796 4.917 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.267 9.156 3.673 1.00 0.00 H new ATOM 220 N ALA A 15 -0.404 3.565 5.240 1.00 0.00 N ATOM 221 CA ALA A 15 0.014 2.186 5.379 1.00 0.00 C ATOM 222 C ALA A 15 -0.310 1.394 4.128 1.00 0.00 C ATOM 223 O ALA A 15 -1.339 1.631 3.479 1.00 0.00 O ATOM 224 CB ALA A 15 -0.646 1.560 6.587 1.00 0.00 C ATOM 0 H ALA A 15 -1.253 3.792 5.758 1.00 0.00 H new ATOM 0 HA ALA A 15 1.095 2.168 5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.324 0.523 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.362 2.111 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.729 1.594 6.468 1.00 0.00 H new ATOM 230 N LEU A 16 0.532 0.423 3.838 1.00 0.00 N ATOM 231 CA LEU A 16 0.460 -0.372 2.618 1.00 0.00 C ATOM 232 C LEU A 16 -0.877 -1.091 2.486 1.00 0.00 C ATOM 233 O LEU A 16 -1.557 -0.971 1.457 1.00 0.00 O ATOM 234 CB LEU A 16 1.615 -1.403 2.537 1.00 0.00 C ATOM 235 CG LEU A 16 3.073 -0.883 2.426 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.230 0.098 1.280 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.592 -0.298 3.739 1.00 0.00 C ATOM 0 H LEU A 16 1.302 0.155 4.452 1.00 0.00 H new ATOM 0 HA LEU A 16 0.559 0.330 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.556 -2.035 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.426 -2.044 1.675 1.00 0.00 H new ATOM 0 HG LEU A 16 3.694 -1.752 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.264 0.441 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.968 -0.393 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.572 0.952 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.616 0.050 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.961 0.539 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.569 -1.065 4.513 1.00 0.00 H new ATOM 249 N VAL A 17 -1.267 -1.799 3.535 1.00 0.00 N ATOM 250 CA VAL A 17 -2.502 -2.576 3.530 1.00 0.00 C ATOM 251 C VAL A 17 -3.743 -1.678 3.379 1.00 0.00 C ATOM 252 O VAL A 17 -4.725 -2.054 2.722 1.00 0.00 O ATOM 253 CB VAL A 17 -2.631 -3.494 4.797 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.756 -2.693 6.093 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.784 -4.474 4.651 1.00 0.00 C ATOM 0 H VAL A 17 -0.743 -1.853 4.408 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.451 -3.227 2.657 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.703 -4.062 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.842 -3.377 6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.872 -2.068 6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.643 -2.061 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.848 -5.096 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.716 -3.923 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.616 -5.107 3.779 1.00 0.00 H new ATOM 265 N GLU A 18 -3.680 -0.478 3.939 1.00 0.00 N ATOM 266 CA GLU A 18 -4.802 0.427 3.873 1.00 0.00 C ATOM 267 C GLU A 18 -4.928 1.014 2.471 1.00 0.00 C ATOM 268 O GLU A 18 -6.018 1.046 1.917 1.00 0.00 O ATOM 269 CB GLU A 18 -4.732 1.501 4.973 1.00 0.00 C ATOM 270 CG GLU A 18 -4.702 0.893 6.379 1.00 0.00 C ATOM 271 CD GLU A 18 -4.795 1.908 7.505 1.00 0.00 C ATOM 272 OE1 GLU A 18 -3.784 2.568 7.810 1.00 0.00 O ATOM 273 OE2 GLU A 18 -5.867 2.009 8.130 1.00 0.00 O ATOM 0 H GLU A 18 -2.867 -0.117 4.439 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.715 -0.135 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.842 2.112 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.592 2.165 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.527 0.187 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.780 0.323 6.495 1.00 0.00 H new ATOM 280 N ILE A 19 -3.790 1.397 1.880 1.00 0.00 N ATOM 281 CA ILE A 19 -3.742 1.902 0.494 1.00 0.00 C ATOM 282 C ILE A 19 -4.304 0.842 -0.456 1.00 0.00 C ATOM 283 O ILE A 19 -5.165 1.125 -1.303 1.00 0.00 O ATOM 284 CB ILE A 19 -2.277 2.234 0.066 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.705 3.370 0.917 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.187 2.577 -1.429 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.245 3.663 0.645 1.00 0.00 C ATOM 0 H ILE A 19 -2.881 1.368 2.341 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.338 2.813 0.445 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.677 1.340 0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.287 4.274 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.825 3.118 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.153 2.802 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.533 1.728 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.812 3.445 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.088 4.479 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.349 2.773 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.119 3.948 -0.400 1.00 0.00 H new ATOM 299 N ALA A 20 -3.830 -0.379 -0.276 1.00 0.00 N ATOM 300 CA ALA A 20 -4.255 -1.504 -1.078 1.00 0.00 C ATOM 301 C ALA A 20 -5.755 -1.758 -0.920 1.00 0.00 C ATOM 302 O ALA A 20 -6.448 -2.026 -1.899 1.00 0.00 O ATOM 303 CB ALA A 20 -3.445 -2.741 -0.731 1.00 0.00 C ATOM 0 H ALA A 20 -3.137 -0.615 0.434 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.074 -1.265 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.778 -3.578 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.389 -2.550 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.585 -2.984 0.322 1.00 0.00 H new ATOM 309 N HIS A 21 -6.262 -1.644 0.309 1.00 0.00 N ATOM 310 CA HIS A 21 -7.696 -1.807 0.560 1.00 0.00 C ATOM 311 C HIS A 21 -8.500 -0.821 -0.265 1.00 0.00 C ATOM 312 O HIS A 21 -9.455 -1.205 -0.909 1.00 0.00 O ATOM 313 CB HIS A 21 -8.051 -1.649 2.059 1.00 0.00 C ATOM 314 CG HIS A 21 -9.556 -1.591 2.340 1.00 0.00 C ATOM 315 ND1 HIS A 21 -10.238 -0.414 2.518 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.498 -2.564 2.402 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.513 -0.657 2.670 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.707 -1.949 2.599 1.00 0.00 N ATOM 0 H HIS A 21 -5.707 -1.441 1.140 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.954 -2.823 0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.620 -2.482 2.614 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.586 -0.739 2.438 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.813 0.513 2.530 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.327 -3.627 2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.280 0.086 2.828 1.00 0.00 H new ATOM 327 N GLU A 22 -8.083 0.428 -0.251 1.00 0.00 N ATOM 328 CA GLU A 22 -8.786 1.511 -0.947 1.00 0.00 C ATOM 329 C GLU A 22 -8.825 1.263 -2.448 1.00 0.00 C ATOM 330 O GLU A 22 -9.802 1.603 -3.135 1.00 0.00 O ATOM 331 CB GLU A 22 -8.091 2.833 -0.667 1.00 0.00 C ATOM 332 CG GLU A 22 -7.958 3.160 0.817 1.00 0.00 C ATOM 333 CD GLU A 22 -9.277 3.124 1.543 1.00 0.00 C ATOM 334 OE1 GLU A 22 -9.683 2.059 2.020 1.00 0.00 O ATOM 335 OE2 GLU A 22 -9.946 4.159 1.638 1.00 0.00 O ATOM 0 H GLU A 22 -7.244 0.733 0.243 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.811 1.546 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.097 2.812 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.644 3.634 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.274 2.450 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.514 4.149 0.928 1.00 0.00 H new ATOM 342 N LEU A 23 -7.765 0.664 -2.933 1.00 0.00 N ATOM 343 CA LEU A 23 -7.600 0.319 -4.327 1.00 0.00 C ATOM 344 C LEU A 23 -8.649 -0.724 -4.732 1.00 0.00 C ATOM 345 O LEU A 23 -9.410 -0.533 -5.687 1.00 0.00 O ATOM 346 CB LEU A 23 -6.177 -0.235 -4.500 1.00 0.00 C ATOM 347 CG LEU A 23 -5.697 -0.635 -5.893 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.798 0.538 -6.845 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.258 -1.063 -5.777 1.00 0.00 C ATOM 0 H LEU A 23 -6.970 0.395 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.739 1.191 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.484 0.515 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.086 -1.111 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.315 -1.445 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.452 0.235 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.835 0.867 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.180 1.358 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.885 -1.356 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.662 -0.235 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.184 -1.909 -5.094 1.00 0.00 H new ATOM 361 N PHE A 24 -8.733 -1.785 -3.966 1.00 0.00 N ATOM 362 CA PHE A 24 -9.668 -2.864 -4.251 1.00 0.00 C ATOM 363 C PHE A 24 -11.093 -2.486 -3.947 1.00 0.00 C ATOM 364 O PHE A 24 -11.997 -2.905 -4.642 1.00 0.00 O ATOM 365 CB PHE A 24 -9.311 -4.121 -3.493 1.00 0.00 C ATOM 366 CG PHE A 24 -8.111 -4.811 -3.998 1.00 0.00 C ATOM 367 CD1 PHE A 24 -6.855 -4.443 -3.584 1.00 0.00 C ATOM 368 CD2 PHE A 24 -8.242 -5.840 -4.893 1.00 0.00 C ATOM 369 CE1 PHE A 24 -5.749 -5.093 -4.060 1.00 0.00 C ATOM 370 CE2 PHE A 24 -7.148 -6.491 -5.369 1.00 0.00 C ATOM 371 CZ PHE A 24 -5.903 -6.123 -4.957 1.00 0.00 C ATOM 0 H PHE A 24 -8.163 -1.931 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.587 -3.055 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.156 -3.868 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.156 -4.809 -3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.739 -3.635 -2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.226 -6.137 -5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.762 -4.799 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.266 -7.300 -6.074 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.035 -6.642 -5.336 1.00 0.00 H new ATOM 381 N GLU A 25 -11.280 -1.684 -2.930 1.00 0.00 N ATOM 382 CA GLU A 25 -12.603 -1.273 -2.492 1.00 0.00 C ATOM 383 C GLU A 25 -13.265 -0.427 -3.575 1.00 0.00 C ATOM 384 O GLU A 25 -14.484 -0.468 -3.754 1.00 0.00 O ATOM 385 CB GLU A 25 -12.491 -0.487 -1.181 1.00 0.00 C ATOM 386 CG GLU A 25 -13.796 -0.324 -0.426 1.00 0.00 C ATOM 387 CD GLU A 25 -14.368 -1.653 0.015 1.00 0.00 C ATOM 388 OE1 GLU A 25 -13.861 -2.233 1.015 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.333 -2.136 -0.616 1.00 0.00 O ATOM 0 H GLU A 25 -10.519 -1.292 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.220 -2.154 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.772 -0.989 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.087 0.502 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.633 0.308 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.519 0.189 -1.060 1.00 0.00 H new ATOM 396 N GLU A 26 -12.445 0.311 -4.305 1.00 0.00 N ATOM 397 CA GLU A 26 -12.923 1.136 -5.387 1.00 0.00 C ATOM 398 C GLU A 26 -13.239 0.288 -6.612 1.00 0.00 C ATOM 399 O GLU A 26 -14.269 0.469 -7.256 1.00 0.00 O ATOM 400 CB GLU A 26 -11.880 2.185 -5.743 1.00 0.00 C ATOM 401 CG GLU A 26 -12.340 3.166 -6.796 1.00 0.00 C ATOM 402 CD GLU A 26 -11.308 4.196 -7.125 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.647 4.701 -6.199 1.00 0.00 O ATOM 404 OE2 GLU A 26 -11.187 4.571 -8.316 1.00 0.00 O ATOM 0 H GLU A 26 -11.436 0.351 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.837 1.632 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.608 2.734 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.979 1.683 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.603 2.621 -7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.245 3.664 -6.450 1.00 0.00 H new ATOM 411 N HIS A 27 -12.348 -0.647 -6.922 1.00 0.00 N ATOM 412 CA HIS A 27 -12.513 -1.486 -8.111 1.00 0.00 C ATOM 413 C HIS A 27 -13.659 -2.461 -7.946 1.00 0.00 C ATOM 414 O HIS A 27 -14.385 -2.722 -8.889 1.00 0.00 O ATOM 415 CB HIS A 27 -11.233 -2.262 -8.472 1.00 0.00 C ATOM 416 CG HIS A 27 -10.046 -1.410 -8.818 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.120 -0.274 -9.588 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.751 -1.530 -8.471 1.00 0.00 C ATOM 419 CE1 HIS A 27 -8.927 0.263 -9.691 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.081 -0.481 -9.026 1.00 0.00 N ATOM 0 H HIS A 27 -11.510 -0.845 -6.375 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.736 -0.801 -8.929 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.967 -2.904 -7.632 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.450 -2.916 -9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.322 -2.314 -7.864 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.685 1.165 -10.233 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.080 -0.304 -8.937 1.00 0.00 H new ATOM 429 N LYS A 28 -13.781 -3.011 -6.730 1.00 0.00 N ATOM 430 CA LYS A 28 -14.810 -3.994 -6.356 1.00 0.00 C ATOM 431 C LYS A 28 -14.672 -5.264 -7.191 1.00 0.00 C ATOM 432 O LYS A 28 -15.596 -6.063 -7.313 1.00 0.00 O ATOM 433 CB LYS A 28 -16.224 -3.389 -6.443 1.00 0.00 C ATOM 434 CG LYS A 28 -16.376 -2.136 -5.593 1.00 0.00 C ATOM 435 CD LYS A 28 -17.803 -1.632 -5.531 1.00 0.00 C ATOM 436 CE LYS A 28 -17.883 -0.310 -4.766 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.274 -0.392 -3.413 1.00 0.00 N ATOM 0 H LYS A 28 -13.153 -2.780 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.654 -4.272 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.449 -3.149 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.954 -4.132 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.026 -2.345 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.736 -1.351 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.189 -1.496 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.435 -2.376 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.380 0.468 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.927 -0.012 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.625 0.391 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.531 -1.298 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.239 -0.327 -3.494 1.00 0.00 H new ATOM 451 N LYS A 29 -13.468 -5.474 -7.670 1.00 0.00 N ATOM 452 CA LYS A 29 -13.114 -6.564 -8.523 1.00 0.00 C ATOM 453 C LYS A 29 -11.765 -7.056 -8.059 1.00 0.00 C ATOM 454 O LYS A 29 -10.965 -6.249 -7.562 1.00 0.00 O ATOM 455 CB LYS A 29 -13.023 -6.099 -9.987 1.00 0.00 C ATOM 456 CG LYS A 29 -14.345 -5.631 -10.582 1.00 0.00 C ATOM 457 CD LYS A 29 -14.180 -5.075 -11.988 1.00 0.00 C ATOM 458 CE LYS A 29 -13.327 -3.811 -11.992 1.00 0.00 C ATOM 459 NZ LYS A 29 -13.155 -3.245 -13.347 1.00 0.00 N ATOM 0 H LYS A 29 -12.681 -4.859 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.866 -7.352 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.301 -5.285 -10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.636 -6.919 -10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.047 -6.465 -10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.779 -4.865 -9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.719 -5.828 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.160 -4.855 -12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.788 -3.064 -11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.348 -4.037 -11.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.568 -2.388 -13.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.690 -3.945 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.086 -3.003 -13.743 1.00 0.00 H new ATOM 473 N PRO A 30 -11.484 -8.349 -8.187 1.00 0.00 N ATOM 474 CA PRO A 30 -10.237 -8.923 -7.720 1.00 0.00 C ATOM 475 C PRO A 30 -9.066 -8.619 -8.660 1.00 0.00 C ATOM 476 O PRO A 30 -9.224 -8.612 -9.892 1.00 0.00 O ATOM 477 CB PRO A 30 -10.526 -10.422 -7.660 1.00 0.00 C ATOM 478 CG PRO A 30 -11.930 -10.620 -8.137 1.00 0.00 C ATOM 479 CD PRO A 30 -12.339 -9.359 -8.818 1.00 0.00 C ATOM 0 HA PRO A 30 -9.932 -8.508 -6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.825 -10.974 -8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.409 -10.796 -6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.989 -11.465 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.594 -10.840 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.175 -9.411 -9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.397 -9.144 -8.667 1.00 0.00 H new ATOM 487 N VAL A 31 -7.898 -8.378 -8.082 1.00 0.00 N ATOM 488 CA VAL A 31 -6.715 -7.990 -8.845 1.00 0.00 C ATOM 489 C VAL A 31 -5.491 -8.799 -8.358 1.00 0.00 C ATOM 490 O VAL A 31 -5.297 -8.967 -7.151 1.00 0.00 O ATOM 491 CB VAL A 31 -6.409 -6.454 -8.680 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.209 -6.027 -9.503 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.617 -5.591 -9.036 1.00 0.00 C ATOM 0 H VAL A 31 -7.741 -8.445 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.911 -8.198 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.177 -6.300 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.031 -4.961 -9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.330 -6.587 -9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.402 -6.226 -10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.363 -4.539 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.901 -5.773 -10.073 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.451 -5.845 -8.382 1.00 0.00 H new ATOM 503 N PRO A 32 -4.705 -9.384 -9.284 1.00 0.00 N ATOM 504 CA PRO A 32 -3.449 -10.084 -8.955 1.00 0.00 C ATOM 505 C PRO A 32 -2.396 -9.157 -8.326 1.00 0.00 C ATOM 506 O PRO A 32 -2.379 -7.932 -8.584 1.00 0.00 O ATOM 507 CB PRO A 32 -2.970 -10.607 -10.309 1.00 0.00 C ATOM 508 CG PRO A 32 -4.201 -10.670 -11.130 1.00 0.00 C ATOM 509 CD PRO A 32 -5.006 -9.482 -10.718 1.00 0.00 C ATOM 0 HA PRO A 32 -3.605 -10.865 -8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.229 -9.943 -10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.503 -11.588 -10.215 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.967 -10.638 -12.194 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.747 -11.597 -10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.710 -8.583 -11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.070 -9.628 -10.901 1.00 0.00 H new ATOM 517 N PHE A 33 -1.507 -9.764 -7.551 1.00 0.00 N ATOM 518 CA PHE A 33 -0.494 -9.081 -6.747 1.00 0.00 C ATOM 519 C PHE A 33 0.329 -8.039 -7.532 1.00 0.00 C ATOM 520 O PHE A 33 0.502 -6.910 -7.084 1.00 0.00 O ATOM 521 CB PHE A 33 0.422 -10.119 -6.076 1.00 0.00 C ATOM 522 CG PHE A 33 1.431 -9.532 -5.129 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.043 -9.081 -3.880 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.763 -9.437 -5.484 1.00 0.00 C ATOM 525 CE1 PHE A 33 1.964 -8.546 -3.005 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.686 -8.900 -4.613 1.00 0.00 C ATOM 527 CZ PHE A 33 3.285 -8.454 -3.371 1.00 0.00 C ATOM 0 H PHE A 33 -1.467 -10.779 -7.460 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.027 -8.511 -5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.196 -10.834 -5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.949 -10.676 -6.851 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.006 -9.149 -3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.084 -9.787 -6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.647 -8.199 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.724 -8.828 -4.903 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.008 -8.033 -2.688 1.00 0.00 H new ATOM 537 N GLN A 34 0.796 -8.385 -8.699 1.00 0.00 N ATOM 538 CA GLN A 34 1.629 -7.462 -9.450 1.00 0.00 C ATOM 539 C GLN A 34 0.842 -6.287 -10.023 1.00 0.00 C ATOM 540 O GLN A 34 1.363 -5.166 -10.109 1.00 0.00 O ATOM 541 CB GLN A 34 2.429 -8.172 -10.539 1.00 0.00 C ATOM 542 CG GLN A 34 3.419 -9.198 -9.996 1.00 0.00 C ATOM 543 CD GLN A 34 4.481 -8.616 -9.064 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.948 -9.291 -8.146 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.895 -7.394 -9.297 1.00 0.00 N ATOM 0 H GLN A 34 0.623 -9.282 -9.153 1.00 0.00 H new ATOM 0 HA GLN A 34 2.338 -7.048 -8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.739 -8.670 -11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.972 -7.429 -11.123 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.867 -9.970 -9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.916 -9.685 -10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.491 -6.856 -10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.621 -6.981 -8.711 1.00 0.00 H new ATOM 554 N GLU A 35 -0.428 -6.493 -10.323 1.00 0.00 N ATOM 555 CA GLU A 35 -1.190 -5.455 -10.962 1.00 0.00 C ATOM 556 C GLU A 35 -1.619 -4.439 -9.938 1.00 0.00 C ATOM 557 O GLU A 35 -1.706 -3.236 -10.228 1.00 0.00 O ATOM 558 CB GLU A 35 -2.379 -6.017 -11.745 1.00 0.00 C ATOM 559 CG GLU A 35 -1.981 -6.953 -12.880 1.00 0.00 C ATOM 560 CD GLU A 35 -3.148 -7.339 -13.758 1.00 0.00 C ATOM 561 OE1 GLU A 35 -3.829 -8.348 -13.471 1.00 0.00 O ATOM 562 OE2 GLU A 35 -3.413 -6.635 -14.756 1.00 0.00 O ATOM 0 H GLU A 35 -0.939 -7.356 -10.136 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.554 -4.960 -11.696 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.034 -6.552 -11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.956 -5.188 -12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.217 -6.472 -13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.534 -7.854 -12.461 1.00 0.00 H new ATOM 569 N LEU A 36 -1.832 -4.914 -8.720 1.00 0.00 N ATOM 570 CA LEU A 36 -2.189 -4.042 -7.636 1.00 0.00 C ATOM 571 C LEU A 36 -0.999 -3.150 -7.265 1.00 0.00 C ATOM 572 O LEU A 36 -1.175 -1.986 -7.003 1.00 0.00 O ATOM 573 CB LEU A 36 -2.783 -4.838 -6.416 1.00 0.00 C ATOM 574 CG LEU A 36 -1.857 -5.818 -5.638 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.964 -5.108 -4.641 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.644 -6.909 -4.942 1.00 0.00 C ATOM 0 H LEU A 36 -1.761 -5.900 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.993 -3.382 -7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.167 -4.109 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.637 -5.409 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.217 -6.278 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.340 -5.839 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.329 -4.393 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.580 -4.580 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.959 -7.570 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.338 -6.460 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.202 -7.483 -5.681 1.00 0.00 H new ATOM 588 N LEU A 37 0.230 -3.702 -7.335 1.00 0.00 N ATOM 589 CA LEU A 37 1.444 -2.957 -6.994 1.00 0.00 C ATOM 590 C LEU A 37 1.657 -1.823 -7.962 1.00 0.00 C ATOM 591 O LEU A 37 2.094 -0.737 -7.580 1.00 0.00 O ATOM 592 CB LEU A 37 2.659 -3.872 -7.016 1.00 0.00 C ATOM 593 CG LEU A 37 2.712 -4.977 -5.971 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.913 -5.854 -6.225 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.773 -4.390 -4.569 1.00 0.00 C ATOM 0 H LEU A 37 0.400 -4.665 -7.626 1.00 0.00 H new ATOM 0 HA LEU A 37 1.318 -2.554 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.717 -4.335 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.550 -3.255 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 37 1.805 -5.577 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.951 -6.645 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.836 -6.297 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.821 -5.254 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.810 -5.197 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.665 -3.771 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.887 -3.780 -4.391 1.00 0.00 H new ATOM 607 N ASN A 38 1.335 -2.080 -9.211 1.00 0.00 N ATOM 608 CA ASN A 38 1.449 -1.074 -10.252 1.00 0.00 C ATOM 609 C ASN A 38 0.504 0.085 -9.994 1.00 0.00 C ATOM 610 O ASN A 38 0.908 1.255 -10.066 1.00 0.00 O ATOM 611 CB ASN A 38 1.240 -1.681 -11.649 1.00 0.00 C ATOM 612 CG ASN A 38 2.489 -2.366 -12.202 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.273 -1.761 -12.921 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.720 -3.590 -11.838 1.00 0.00 N ATOM 0 H ASN A 38 0.989 -2.983 -9.535 1.00 0.00 H new ATOM 0 HA ASN A 38 2.465 -0.681 -10.226 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.426 -2.405 -11.605 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.930 -0.894 -12.337 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.567 -4.064 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.055 -4.078 -11.238 1.00 0.00 H new ATOM 621 N GLU A 39 -0.736 -0.227 -9.618 1.00 0.00 N ATOM 622 CA GLU A 39 -1.694 0.825 -9.328 1.00 0.00 C ATOM 623 C GLU A 39 -1.349 1.527 -8.032 1.00 0.00 C ATOM 624 O GLU A 39 -1.478 2.743 -7.942 1.00 0.00 O ATOM 625 CB GLU A 39 -3.129 0.330 -9.284 1.00 0.00 C ATOM 626 CG GLU A 39 -3.576 -0.374 -10.533 1.00 0.00 C ATOM 627 CD GLU A 39 -5.071 -0.429 -10.655 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.715 -1.159 -9.897 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.634 0.274 -11.525 1.00 0.00 O ATOM 0 H GLU A 39 -1.090 -1.178 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.625 1.532 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.242 -0.348 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.789 1.178 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.162 0.136 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.176 -1.388 -10.538 1.00 0.00 H new ATOM 636 N ILE A 40 -0.883 0.763 -7.037 1.00 0.00 N ATOM 637 CA ILE A 40 -0.468 1.333 -5.762 1.00 0.00 C ATOM 638 C ILE A 40 0.595 2.373 -6.000 1.00 0.00 C ATOM 639 O ILE A 40 0.417 3.491 -5.629 1.00 0.00 O ATOM 640 CB ILE A 40 0.065 0.264 -4.735 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.060 -0.663 -4.267 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.724 0.937 -3.525 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.606 -1.757 -3.320 1.00 0.00 C ATOM 0 H ILE A 40 -0.786 -0.251 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.358 1.777 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 40 0.816 -0.334 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.827 -0.066 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.525 -1.122 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.082 0.174 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.564 1.546 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.005 1.571 -3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.461 -2.370 -3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.139 -2.381 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.169 -1.308 -2.428 1.00 0.00 H new ATOM 655 N ALA A 41 1.645 2.004 -6.708 1.00 0.00 N ATOM 656 CA ALA A 41 2.762 2.910 -6.958 1.00 0.00 C ATOM 657 C ALA A 41 2.354 4.162 -7.733 1.00 0.00 C ATOM 658 O ALA A 41 3.014 5.191 -7.641 1.00 0.00 O ATOM 659 CB ALA A 41 3.880 2.191 -7.670 1.00 0.00 C ATOM 0 H ALA A 41 1.753 1.079 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 41 3.113 3.246 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.703 2.883 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.229 1.362 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.517 1.807 -8.623 1.00 0.00 H new ATOM 665 N SER A 42 1.369 4.045 -8.578 1.00 0.00 N ATOM 666 CA SER A 42 0.865 5.203 -9.271 1.00 0.00 C ATOM 667 C SER A 42 0.000 6.096 -8.367 1.00 0.00 C ATOM 668 O SER A 42 0.232 7.310 -8.292 1.00 0.00 O ATOM 669 CB SER A 42 0.200 4.825 -10.603 1.00 0.00 C ATOM 670 OG SER A 42 -0.177 5.967 -11.359 1.00 0.00 O ATOM 0 H SER A 42 0.900 3.168 -8.804 1.00 0.00 H new ATOM 0 HA SER A 42 1.720 5.824 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.887 4.214 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.681 4.215 -10.406 1.00 0.00 H new ATOM 0 HG SER A 42 -0.594 5.681 -12.198 1.00 0.00 H new ATOM 676 N LEU A 43 -0.982 5.507 -7.691 1.00 0.00 N ATOM 677 CA LEU A 43 -1.864 6.275 -6.818 1.00 0.00 C ATOM 678 C LEU A 43 -1.083 6.845 -5.650 1.00 0.00 C ATOM 679 O LEU A 43 -1.184 8.023 -5.351 1.00 0.00 O ATOM 680 CB LEU A 43 -3.089 5.452 -6.344 1.00 0.00 C ATOM 681 CG LEU A 43 -4.281 5.311 -7.337 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.881 4.656 -8.650 1.00 0.00 C ATOM 683 CD2 LEU A 43 -5.421 4.541 -6.692 1.00 0.00 C ATOM 0 H LEU A 43 -1.186 4.508 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.265 7.105 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.744 4.451 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.465 5.905 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.613 6.322 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.752 4.585 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.112 5.256 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.492 3.657 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.246 4.452 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.075 3.546 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.761 5.072 -5.803 1.00 0.00 H new ATOM 695 N LEU A 44 -0.272 6.011 -5.056 1.00 0.00 N ATOM 696 CA LEU A 44 0.623 6.374 -3.984 1.00 0.00 C ATOM 697 C LEU A 44 1.803 7.131 -4.576 1.00 0.00 C ATOM 698 O LEU A 44 2.561 6.584 -5.351 1.00 0.00 O ATOM 699 CB LEU A 44 1.087 5.078 -3.279 1.00 0.00 C ATOM 700 CG LEU A 44 2.293 5.136 -2.351 1.00 0.00 C ATOM 701 CD1 LEU A 44 2.048 6.010 -1.164 1.00 0.00 C ATOM 702 CD2 LEU A 44 2.704 3.737 -1.929 1.00 0.00 C ATOM 0 H LEU A 44 -0.212 5.026 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 44 0.131 7.015 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.245 4.698 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.302 4.341 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 44 3.116 5.586 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.935 6.021 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.828 7.024 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.202 5.624 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.567 3.796 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.877 3.257 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.963 3.152 -2.812 1.00 0.00 H new ATOM 714 N GLY A 45 1.891 8.402 -4.251 1.00 0.00 N ATOM 715 CA GLY A 45 2.965 9.265 -4.735 1.00 0.00 C ATOM 716 C GLY A 45 4.353 8.880 -4.224 1.00 0.00 C ATOM 717 O GLY A 45 4.886 9.513 -3.315 1.00 0.00 O ATOM 0 H GLY A 45 1.222 8.875 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.972 9.242 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.753 10.292 -4.439 1.00 0.00 H new ATOM 721 N VAL A 46 4.899 7.834 -4.787 1.00 0.00 N ATOM 722 CA VAL A 46 6.221 7.327 -4.467 1.00 0.00 C ATOM 723 C VAL A 46 6.844 6.810 -5.742 1.00 0.00 C ATOM 724 O VAL A 46 6.192 6.799 -6.795 1.00 0.00 O ATOM 725 CB VAL A 46 6.155 6.118 -3.472 1.00 0.00 C ATOM 726 CG1 VAL A 46 5.597 6.509 -2.114 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.370 4.946 -4.080 1.00 0.00 C ATOM 0 H VAL A 46 4.425 7.288 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 46 6.793 8.136 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 46 7.181 5.792 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.574 5.634 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.230 7.276 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.586 6.899 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.340 4.121 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.353 5.268 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.859 4.617 -4.997 1.00 0.00 H new ATOM 737 N LYS A 47 8.076 6.382 -5.666 1.00 0.00 N ATOM 738 CA LYS A 47 8.648 5.660 -6.767 1.00 0.00 C ATOM 739 C LYS A 47 8.448 4.179 -6.497 1.00 0.00 C ATOM 740 O LYS A 47 8.481 3.755 -5.342 1.00 0.00 O ATOM 741 CB LYS A 47 10.127 5.992 -7.016 1.00 0.00 C ATOM 742 CG LYS A 47 11.054 5.878 -5.817 1.00 0.00 C ATOM 743 CD LYS A 47 12.552 5.767 -6.202 1.00 0.00 C ATOM 744 CE LYS A 47 13.080 6.882 -7.137 1.00 0.00 C ATOM 745 NZ LYS A 47 12.637 6.723 -8.547 1.00 0.00 N ATOM 0 H LYS A 47 8.694 6.518 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 47 8.141 5.960 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.499 5.332 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.189 7.010 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.915 6.749 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.772 5.003 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.146 5.771 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.716 4.803 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.743 7.849 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.169 6.889 -7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.348 7.137 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.525 5.712 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.727 7.209 -8.682 1.00 0.00 H new ATOM 759 N LYS A 48 8.248 3.394 -7.524 1.00 0.00 N ATOM 760 CA LYS A 48 7.947 1.979 -7.344 1.00 0.00 C ATOM 761 C LYS A 48 9.129 1.228 -6.708 1.00 0.00 C ATOM 762 O LYS A 48 8.940 0.208 -6.082 1.00 0.00 O ATOM 763 CB LYS A 48 7.509 1.323 -8.665 1.00 0.00 C ATOM 764 CG LYS A 48 6.911 -0.088 -8.505 1.00 0.00 C ATOM 765 CD LYS A 48 6.528 -0.724 -9.848 1.00 0.00 C ATOM 766 CE LYS A 48 5.504 0.110 -10.612 1.00 0.00 C ATOM 767 NZ LYS A 48 5.374 -0.307 -12.023 1.00 0.00 N ATOM 0 H LYS A 48 8.286 3.701 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 48 7.107 1.911 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.772 1.964 -9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.369 1.267 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.632 -0.728 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.028 -0.034 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.423 -0.845 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.124 -1.721 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.534 0.027 -10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.793 1.160 -10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.312 0.535 -12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.204 -0.870 -12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.514 -0.880 -12.138 1.00 0.00 H new ATOM 781 N GLU A 49 10.331 1.745 -6.881 1.00 0.00 N ATOM 782 CA GLU A 49 11.532 1.129 -6.323 1.00 0.00 C ATOM 783 C GLU A 49 11.560 1.226 -4.779 1.00 0.00 C ATOM 784 O GLU A 49 11.880 0.239 -4.085 1.00 0.00 O ATOM 785 CB GLU A 49 12.808 1.748 -6.903 1.00 0.00 C ATOM 786 CG GLU A 49 12.803 1.937 -8.418 1.00 0.00 C ATOM 787 CD GLU A 49 12.263 3.291 -8.834 1.00 0.00 C ATOM 788 OE1 GLU A 49 11.047 3.516 -8.749 1.00 0.00 O ATOM 789 OE2 GLU A 49 13.071 4.176 -9.208 1.00 0.00 O ATOM 0 H GLU A 49 10.508 2.600 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 49 11.498 0.076 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.970 2.717 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.655 1.117 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.818 1.822 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.200 1.153 -8.876 1.00 0.00 H new ATOM 796 N GLU A 50 11.180 2.397 -4.228 1.00 0.00 N ATOM 797 CA GLU A 50 11.163 2.571 -2.758 1.00 0.00 C ATOM 798 C GLU A 50 10.052 1.699 -2.213 1.00 0.00 C ATOM 799 O GLU A 50 10.145 1.093 -1.138 1.00 0.00 O ATOM 800 CB GLU A 50 10.938 4.051 -2.341 1.00 0.00 C ATOM 801 CG GLU A 50 9.538 4.578 -2.632 1.00 0.00 C ATOM 802 CD GLU A 50 9.319 5.998 -2.233 1.00 0.00 C ATOM 803 OE1 GLU A 50 9.037 6.263 -1.046 1.00 0.00 O ATOM 804 OE2 GLU A 50 9.367 6.881 -3.106 1.00 0.00 O ATOM 0 H GLU A 50 10.888 3.217 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 50 12.132 2.282 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.136 4.150 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.664 4.677 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.340 4.479 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.812 3.952 -2.114 1.00 0.00 H new ATOM 811 N LEU A 51 9.021 1.584 -3.027 1.00 0.00 N ATOM 812 CA LEU A 51 7.908 0.775 -2.729 1.00 0.00 C ATOM 813 C LEU A 51 8.272 -0.683 -2.948 1.00 0.00 C ATOM 814 O LEU A 51 7.567 -1.522 -2.545 1.00 0.00 O ATOM 815 CB LEU A 51 6.733 1.150 -3.609 1.00 0.00 C ATOM 816 CG LEU A 51 5.421 0.393 -3.360 1.00 0.00 C ATOM 817 CD1 LEU A 51 4.858 0.704 -1.988 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.411 0.689 -4.441 1.00 0.00 C ATOM 0 H LEU A 51 8.954 2.067 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 51 7.625 0.928 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.541 2.216 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.023 0.997 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 51 5.643 -0.674 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.929 0.153 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.578 0.410 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.661 1.773 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.491 0.140 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.199 1.758 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.812 0.383 -5.407 1.00 0.00 H new ATOM 830 N GLY A 52 9.405 -0.939 -3.601 1.00 0.00 N ATOM 831 CA GLY A 52 9.881 -2.292 -3.847 1.00 0.00 C ATOM 832 C GLY A 52 10.410 -2.874 -2.584 1.00 0.00 C ATOM 833 O GLY A 52 10.118 -4.048 -2.225 1.00 0.00 O ATOM 0 H GLY A 52 10.016 -0.212 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.069 -2.909 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.661 -2.281 -4.608 1.00 0.00 H new ATOM 837 N ASP A 53 11.184 -2.065 -1.893 1.00 0.00 N ATOM 838 CA ASP A 53 11.633 -2.387 -0.533 1.00 0.00 C ATOM 839 C ASP A 53 10.382 -2.654 0.308 1.00 0.00 C ATOM 840 O ASP A 53 10.232 -3.695 0.969 1.00 0.00 O ATOM 841 CB ASP A 53 12.411 -1.190 0.031 1.00 0.00 C ATOM 842 CG ASP A 53 12.780 -1.333 1.489 1.00 0.00 C ATOM 843 OD1 ASP A 53 11.954 -0.997 2.342 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.926 -1.752 1.800 1.00 0.00 O ATOM 0 H ASP A 53 11.524 -1.170 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 53 12.285 -3.260 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.321 -1.053 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.813 -0.288 -0.096 1.00 0.00 H new ATOM 849 N ARG A 54 9.435 -1.752 0.159 1.00 0.00 N ATOM 850 CA ARG A 54 8.151 -1.868 0.802 1.00 0.00 C ATOM 851 C ARG A 54 7.317 -3.045 0.290 1.00 0.00 C ATOM 852 O ARG A 54 6.389 -3.395 0.922 1.00 0.00 O ATOM 853 CB ARG A 54 7.349 -0.564 0.737 1.00 0.00 C ATOM 854 CG ARG A 54 7.482 0.320 1.963 1.00 0.00 C ATOM 855 CD ARG A 54 8.903 0.785 2.217 1.00 0.00 C ATOM 856 NE ARG A 54 8.987 1.377 3.571 1.00 0.00 N ATOM 857 CZ ARG A 54 9.746 0.924 4.588 1.00 0.00 C ATOM 858 NH1 ARG A 54 10.731 0.075 4.379 1.00 0.00 N ATOM 859 NH2 ARG A 54 9.542 1.388 5.810 1.00 0.00 N ATOM 0 H ARG A 54 9.538 -0.915 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 54 8.376 -2.075 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.669 0.001 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.296 -0.807 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.838 1.191 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.124 -0.226 2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.594 -0.054 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.198 1.519 1.467 1.00 0.00 H new ATOM 0 HE ARG A 54 8.418 2.204 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.931 -0.252 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.294 -0.256 5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.815 2.083 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.112 1.050 6.585 1.00 0.00 H new ATOM 873 N ILE A 55 7.657 -3.627 -0.866 1.00 0.00 N ATOM 874 CA ILE A 55 6.951 -4.797 -1.401 1.00 0.00 C ATOM 875 C ILE A 55 7.306 -5.980 -0.564 1.00 0.00 C ATOM 876 O ILE A 55 6.463 -6.794 -0.254 1.00 0.00 O ATOM 877 CB ILE A 55 7.281 -5.104 -2.917 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.695 -4.038 -3.844 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.778 -6.488 -3.340 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.061 -4.222 -5.306 1.00 0.00 C ATOM 0 H ILE A 55 8.425 -3.303 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 55 5.884 -4.579 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 55 8.367 -5.090 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.609 -4.045 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.038 -3.057 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.024 -6.660 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.254 -7.252 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.697 -6.538 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.607 -3.427 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.145 -4.184 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.694 -5.187 -5.654 1.00 0.00 H new ATOM 892 N ALA A 56 8.556 -6.055 -0.173 1.00 0.00 N ATOM 893 CA ALA A 56 8.988 -7.138 0.690 1.00 0.00 C ATOM 894 C ALA A 56 8.296 -7.023 2.067 1.00 0.00 C ATOM 895 O ALA A 56 7.705 -8.015 2.591 1.00 0.00 O ATOM 896 CB ALA A 56 10.501 -7.152 0.805 1.00 0.00 C ATOM 0 H ALA A 56 9.286 -5.391 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 56 8.692 -8.092 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.809 -7.970 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.940 -7.290 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.843 -6.206 1.225 1.00 0.00 H new ATOM 902 N GLN A 57 8.322 -5.815 2.616 1.00 0.00 N ATOM 903 CA GLN A 57 7.649 -5.500 3.884 1.00 0.00 C ATOM 904 C GLN A 57 6.132 -5.782 3.726 1.00 0.00 C ATOM 905 O GLN A 57 5.489 -6.361 4.607 1.00 0.00 O ATOM 906 CB GLN A 57 7.937 -4.007 4.220 1.00 0.00 C ATOM 907 CG GLN A 57 7.768 -3.554 5.689 1.00 0.00 C ATOM 908 CD GLN A 57 6.334 -3.436 6.178 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.704 -2.389 6.032 1.00 0.00 O ATOM 910 NE2 GLN A 57 5.836 -4.460 6.820 1.00 0.00 N ATOM 0 H GLN A 57 8.809 -5.021 2.200 1.00 0.00 H new ATOM 0 HA GLN A 57 8.016 -6.116 4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.961 -3.787 3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.282 -3.392 3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.295 -4.260 6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.255 -2.587 5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.385 -5.313 6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.898 -4.406 7.218 1.00 0.00 H new ATOM 919 N PHE A 58 5.605 -5.427 2.564 1.00 0.00 N ATOM 920 CA PHE A 58 4.206 -5.620 2.204 1.00 0.00 C ATOM 921 C PHE A 58 3.872 -7.092 2.068 1.00 0.00 C ATOM 922 O PHE A 58 2.780 -7.468 2.341 1.00 0.00 O ATOM 923 CB PHE A 58 3.869 -4.845 0.917 1.00 0.00 C ATOM 924 CG PHE A 58 2.452 -4.927 0.413 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.384 -4.555 1.211 1.00 0.00 C ATOM 926 CD2 PHE A 58 2.200 -5.355 -0.877 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.091 -4.611 0.730 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.915 -5.408 -1.367 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.143 -5.036 -0.563 1.00 0.00 C ATOM 0 H PHE A 58 6.152 -4.985 1.825 1.00 0.00 H new ATOM 0 HA PHE A 58 3.588 -5.222 3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.108 -3.795 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.530 -5.201 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.564 -4.217 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.023 -5.652 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.735 -4.323 1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.735 -5.740 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.153 -5.077 -0.944 1.00 0.00 H new ATOM 939 N TYR A 59 4.821 -7.919 1.637 1.00 0.00 N ATOM 940 CA TYR A 59 4.597 -9.362 1.608 1.00 0.00 C ATOM 941 C TYR A 59 4.260 -9.841 2.986 1.00 0.00 C ATOM 942 O TYR A 59 3.267 -10.518 3.174 1.00 0.00 O ATOM 943 CB TYR A 59 5.798 -10.155 1.080 1.00 0.00 C ATOM 944 CG TYR A 59 5.813 -10.420 -0.412 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.978 -11.387 -0.969 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.691 -9.760 -1.251 1.00 0.00 C ATOM 947 CE1 TYR A 59 5.026 -11.678 -2.316 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.735 -10.038 -2.599 1.00 0.00 C ATOM 949 CZ TYR A 59 5.906 -11.000 -3.125 1.00 0.00 C ATOM 950 OH TYR A 59 5.965 -11.289 -4.473 1.00 0.00 O ATOM 0 H TYR A 59 5.739 -7.621 1.308 1.00 0.00 H new ATOM 0 HA TYR A 59 3.772 -9.537 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.708 -9.616 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.833 -11.112 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.282 -11.917 -0.335 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.355 -9.013 -0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.376 -12.434 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.419 -9.502 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 59 5.340 -10.711 -4.959 1.00 0.00 H new ATOM 960 N THR A 60 5.060 -9.444 3.945 1.00 0.00 N ATOM 961 CA THR A 60 4.831 -9.813 5.328 1.00 0.00 C ATOM 962 C THR A 60 3.469 -9.260 5.831 1.00 0.00 C ATOM 963 O THR A 60 2.627 -10.007 6.347 1.00 0.00 O ATOM 964 CB THR A 60 5.966 -9.249 6.178 1.00 0.00 C ATOM 965 OG1 THR A 60 7.211 -9.608 5.557 1.00 0.00 O ATOM 966 CG2 THR A 60 5.911 -9.797 7.599 1.00 0.00 C ATOM 0 H THR A 60 5.883 -8.860 3.795 1.00 0.00 H new ATOM 0 HA THR A 60 4.803 -10.900 5.409 1.00 0.00 H new ATOM 0 HB THR A 60 5.870 -8.165 6.241 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.955 -9.253 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.731 -9.378 8.182 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.962 -9.522 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.001 -10.883 7.574 1.00 0.00 H new ATOM 974 N ASP A 61 3.259 -7.973 5.611 1.00 0.00 N ATOM 975 CA ASP A 61 2.048 -7.254 6.053 1.00 0.00 C ATOM 976 C ASP A 61 0.765 -7.825 5.418 1.00 0.00 C ATOM 977 O ASP A 61 -0.255 -8.022 6.083 1.00 0.00 O ATOM 978 CB ASP A 61 2.208 -5.760 5.717 1.00 0.00 C ATOM 979 CG ASP A 61 1.001 -4.907 6.049 1.00 0.00 C ATOM 980 OD1 ASP A 61 0.628 -4.813 7.238 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.457 -4.259 5.143 1.00 0.00 O ATOM 0 H ASP A 61 3.925 -7.380 5.116 1.00 0.00 H new ATOM 0 HA ASP A 61 1.942 -7.385 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.072 -5.370 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.425 -5.661 4.653 1.00 0.00 H new ATOM 986 N LEU A 62 0.838 -8.105 4.155 1.00 0.00 N ATOM 987 CA LEU A 62 -0.278 -8.609 3.396 1.00 0.00 C ATOM 988 C LEU A 62 -0.554 -10.087 3.703 1.00 0.00 C ATOM 989 O LEU A 62 -1.702 -10.487 3.868 1.00 0.00 O ATOM 990 CB LEU A 62 0.012 -8.431 1.903 1.00 0.00 C ATOM 991 CG LEU A 62 -1.121 -8.694 0.939 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.218 -7.683 1.145 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.621 -8.642 -0.485 1.00 0.00 C ATOM 0 H LEU A 62 1.690 -7.990 3.605 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.167 -8.045 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.357 -7.409 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.839 -9.091 1.639 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.520 -9.690 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.031 -7.880 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.592 -7.755 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.826 -6.681 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.448 -8.833 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.203 -7.656 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.150 -9.399 -0.628 1.00 0.00 H new ATOM 1005 N ASN A 63 0.508 -10.880 3.814 1.00 0.00 N ATOM 1006 CA ASN A 63 0.388 -12.345 3.951 1.00 0.00 C ATOM 1007 C ASN A 63 -0.238 -12.776 5.286 1.00 0.00 C ATOM 1008 O ASN A 63 -0.720 -13.896 5.410 1.00 0.00 O ATOM 1009 CB ASN A 63 1.754 -13.029 3.758 1.00 0.00 C ATOM 1010 CG ASN A 63 1.696 -14.553 3.644 1.00 0.00 C ATOM 1011 OD1 ASN A 63 2.599 -15.251 4.115 1.00 0.00 O ATOM 1012 ND2 ASN A 63 0.693 -15.082 2.973 1.00 0.00 N ATOM 0 H ASN A 63 1.469 -10.539 3.813 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.291 -12.669 3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.221 -12.629 2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.399 -12.765 4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.650 -16.091 2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.040 -14.482 2.594 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.226 -11.901 6.281 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.853 -12.240 7.563 1.00 0.00 C ATOM 1021 C ILE A 64 -2.378 -12.077 7.491 1.00 0.00 C ATOM 1022 O ILE A 64 -3.097 -12.526 8.385 1.00 0.00 O ATOM 1023 CB ILE A 64 -0.276 -11.443 8.771 1.00 0.00 C ATOM 1024 CG1 ILE A 64 -0.392 -9.927 8.549 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.174 -11.849 9.030 1.00 0.00 C ATOM 1026 CD1 ILE A 64 0.024 -9.087 9.741 1.00 0.00 C ATOM 0 H ILE A 64 0.197 -10.974 6.236 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.612 -13.288 7.743 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.867 -11.689 9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.222 -9.649 7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.424 -9.687 8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.564 -11.284 9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.219 -12.915 9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.775 -11.638 8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.089 -8.030 9.499 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.605 -9.332 10.596 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.066 -9.294 9.986 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.822 -11.412 6.408 1.00 0.00 N ATOM 1039 CA ASP A 65 -4.235 -11.158 6.047 1.00 0.00 C ATOM 1040 C ASP A 65 -5.191 -10.920 7.205 1.00 0.00 C ATOM 1041 O ASP A 65 -5.917 -11.807 7.652 1.00 0.00 O ATOM 1042 CB ASP A 65 -4.810 -12.130 4.981 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.891 -13.592 5.390 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -3.843 -14.256 5.489 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -6.010 -14.144 5.487 1.00 0.00 O ATOM 0 H ASP A 65 -2.175 -11.017 5.725 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.167 -10.184 5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.811 -11.792 4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.197 -12.058 4.083 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.143 -9.727 7.714 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.056 -9.322 8.735 1.00 0.00 C ATOM 1052 C GLY A 66 -7.186 -8.559 8.118 1.00 0.00 C ATOM 1053 O GLY A 66 -8.354 -8.955 8.209 1.00 0.00 O ATOM 0 H GLY A 66 -4.473 -9.011 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.438 -10.195 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.544 -8.703 9.471 1.00 0.00 H new ATOM 1057 N ARG A 67 -6.834 -7.490 7.442 1.00 0.00 N ATOM 1058 CA ARG A 67 -7.801 -6.641 6.764 1.00 0.00 C ATOM 1059 C ARG A 67 -7.928 -7.095 5.314 1.00 0.00 C ATOM 1060 O ARG A 67 -8.913 -6.807 4.628 1.00 0.00 O ATOM 1061 CB ARG A 67 -7.314 -5.191 6.787 1.00 0.00 C ATOM 1062 CG ARG A 67 -6.961 -4.674 8.170 1.00 0.00 C ATOM 1063 CD ARG A 67 -6.353 -3.292 8.090 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.809 -2.835 9.375 1.00 0.00 N ATOM 1065 CZ ARG A 67 -5.658 -1.546 9.720 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -6.261 -0.595 9.006 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -4.972 -1.221 10.811 1.00 0.00 N ATOM 0 H ARG A 67 -5.868 -7.179 7.343 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.765 -6.712 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.438 -5.104 6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.088 -4.553 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.856 -4.647 8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.260 -5.357 8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.559 -3.292 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.110 -2.586 7.749 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.527 -3.545 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.834 -0.848 8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.149 0.385 9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.558 -1.952 11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.860 -0.241 11.070 1.00 0.00 H new ATOM 1081 N PHE A 68 -6.920 -7.798 4.852 1.00 0.00 N ATOM 1082 CA PHE A 68 -6.884 -8.255 3.494 1.00 0.00 C ATOM 1083 C PHE A 68 -7.284 -9.706 3.382 1.00 0.00 C ATOM 1084 O PHE A 68 -7.634 -10.338 4.380 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.517 -8.019 2.889 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.583 -7.137 1.695 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.698 -5.773 1.845 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.547 -7.669 0.421 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.773 -4.956 0.753 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.623 -6.852 -0.680 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.736 -5.494 -0.511 1.00 0.00 C ATOM 0 H PHE A 68 -6.108 -8.065 5.409 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.615 -7.675 2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.862 -7.570 3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.074 -8.975 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.729 -5.345 2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.458 -8.737 0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.861 -3.887 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.594 -7.275 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.796 -4.847 -1.374 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.244 -10.220 2.168 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.652 -11.565 1.876 1.00 0.00 C ATOM 1103 C LEU A 69 -7.021 -12.029 0.569 1.00 0.00 C ATOM 1104 O LEU A 69 -6.963 -11.265 -0.404 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.172 -11.580 1.734 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.813 -12.869 1.252 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -9.686 -13.974 2.290 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.254 -12.614 0.891 1.00 0.00 C ATOM 0 H LEU A 69 -6.921 -9.701 1.351 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.333 -12.232 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.604 -11.330 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.454 -10.784 1.045 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.286 -13.211 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.155 -14.883 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.632 -14.166 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.180 -13.666 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.712 -13.541 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.790 -12.249 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.304 -11.867 0.099 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.539 -13.247 0.554 1.00 0.00 N ATOM 1121 CA ALA A 70 -6.019 -13.847 -0.646 1.00 0.00 C ATOM 1122 C ALA A 70 -7.091 -14.712 -1.247 1.00 0.00 C ATOM 1123 O ALA A 70 -7.771 -15.477 -0.534 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.784 -14.695 -0.354 1.00 0.00 C ATOM 0 H ALA A 70 -6.497 -13.850 1.376 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.725 -13.057 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.416 -15.134 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.007 -14.068 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.045 -15.490 0.345 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.296 -14.573 -2.520 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.239 -15.397 -3.208 1.00 0.00 C ATOM 1132 C LEU A 71 -7.563 -16.729 -3.622 1.00 0.00 C ATOM 1133 O LEU A 71 -6.593 -17.151 -3.000 1.00 0.00 O ATOM 1134 CB LEU A 71 -8.845 -14.640 -4.395 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.444 -13.271 -4.082 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.055 -12.690 -5.304 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.467 -13.321 -2.978 1.00 0.00 C ATOM 0 H LEU A 71 -6.818 -13.890 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.068 -15.647 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.071 -14.511 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.623 -15.262 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.625 -12.640 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.479 -11.714 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.292 -12.579 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.843 -13.351 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.858 -12.320 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.283 -13.983 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.001 -13.697 -2.067 1.00 0.00 H new ATOM 1149 N SER A 72 -8.048 -17.354 -4.668 1.00 0.00 N ATOM 1150 CA SER A 72 -7.673 -18.724 -4.988 1.00 0.00 C ATOM 1151 C SER A 72 -6.156 -19.001 -5.297 1.00 0.00 C ATOM 1152 O SER A 72 -5.516 -19.762 -4.550 1.00 0.00 O ATOM 1153 CB SER A 72 -8.558 -19.188 -6.121 1.00 0.00 C ATOM 1154 OG SER A 72 -9.912 -18.836 -5.844 1.00 0.00 O ATOM 0 H SER A 72 -8.710 -16.937 -5.322 1.00 0.00 H new ATOM 0 HA SER A 72 -7.825 -19.299 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.237 -18.731 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.470 -20.267 -6.246 1.00 0.00 H new ATOM 0 HG SER A 72 -10.485 -19.136 -6.580 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.565 -18.407 -6.345 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.159 -18.793 -6.669 1.00 0.00 C ATOM 1162 C ASP A 73 -3.147 -17.640 -6.699 1.00 0.00 C ATOM 1163 O ASP A 73 -1.957 -17.871 -6.526 1.00 0.00 O ATOM 1164 CB ASP A 73 -4.119 -19.597 -7.995 1.00 0.00 C ATOM 1165 CG ASP A 73 -2.715 -20.009 -8.445 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -2.189 -21.025 -7.967 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -2.136 -19.346 -9.315 1.00 0.00 O ATOM 0 H ASP A 73 -5.990 -17.706 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.834 -19.416 -5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.728 -20.494 -7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.578 -18.999 -8.782 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.609 -16.407 -6.806 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.665 -15.244 -6.829 1.00 0.00 C ATOM 1174 C GLN A 74 -3.399 -13.926 -6.796 1.00 0.00 C ATOM 1175 O GLN A 74 -2.788 -12.853 -6.741 1.00 0.00 O ATOM 1176 CB GLN A 74 -1.709 -15.234 -8.070 1.00 0.00 C ATOM 1177 CG GLN A 74 -2.327 -14.830 -9.430 1.00 0.00 C ATOM 1178 CD GLN A 74 -3.261 -15.854 -10.043 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -2.831 -16.723 -10.786 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -4.534 -15.720 -9.818 1.00 0.00 N ATOM 0 H GLN A 74 -4.597 -16.163 -6.878 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.062 -15.367 -5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.885 -14.553 -7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.280 -16.231 -8.175 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.873 -13.896 -9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.519 -14.632 -10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.867 -14.986 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.200 -16.349 -10.266 1.00 0.00 H new ATOM 1189 N THR A 75 -4.683 -13.989 -6.873 1.00 0.00 N ATOM 1190 CA THR A 75 -5.455 -12.819 -6.909 1.00 0.00 C ATOM 1191 C THR A 75 -5.754 -12.403 -5.492 1.00 0.00 C ATOM 1192 O THR A 75 -6.112 -13.235 -4.666 1.00 0.00 O ATOM 1193 CB THR A 75 -6.742 -13.108 -7.672 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.412 -13.935 -8.800 1.00 0.00 O ATOM 1195 CG2 THR A 75 -7.342 -11.833 -8.191 1.00 0.00 C ATOM 0 H THR A 75 -5.217 -14.857 -6.912 1.00 0.00 H new ATOM 0 HA THR A 75 -4.923 -12.011 -7.412 1.00 0.00 H new ATOM 0 HB THR A 75 -7.454 -13.597 -7.007 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.893 -13.413 -9.448 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.260 -12.057 -8.733 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.567 -11.170 -7.355 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.635 -11.345 -8.861 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.558 -11.166 -5.192 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.849 -10.687 -3.883 1.00 0.00 C ATOM 1205 C TRP A 76 -7.172 -9.984 -3.898 1.00 0.00 C ATOM 1206 O TRP A 76 -7.671 -9.592 -4.975 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.720 -9.804 -3.338 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.467 -10.583 -3.022 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.474 -10.941 -3.889 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.085 -11.108 -1.742 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.506 -11.657 -3.227 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.855 -11.773 -1.910 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.663 -11.080 -0.469 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.195 -12.403 -0.855 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.008 -11.705 0.577 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.785 -12.358 0.377 1.00 0.00 C ATOM 0 H TRP A 76 -5.196 -10.464 -5.837 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.918 -11.532 -3.198 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.486 -9.030 -4.069 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.064 -9.298 -2.436 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.453 -10.697 -4.941 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.661 -12.041 -3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.605 -10.579 -0.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.252 -12.908 -1.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.447 -11.689 1.564 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.298 -12.836 1.214 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.765 -9.867 -2.755 1.00 0.00 N ATOM 1228 CA GLY A 77 -9.025 -9.243 -2.664 1.00 0.00 C ATOM 1229 C GLY A 77 -9.260 -8.706 -1.299 1.00 0.00 C ATOM 1230 O GLY A 77 -8.332 -8.545 -0.514 1.00 0.00 O ATOM 0 H GLY A 77 -7.385 -10.202 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.087 -8.434 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.808 -9.959 -2.916 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.483 -8.476 -0.984 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.812 -7.877 0.272 1.00 0.00 C ATOM 1236 C LEU A 78 -11.668 -8.770 1.069 1.00 0.00 C ATOM 1237 O LEU A 78 -12.633 -9.347 0.563 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.510 -6.537 0.109 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.738 -5.449 -0.606 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.541 -4.172 -0.608 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.378 -5.232 0.035 1.00 0.00 C ATOM 0 H LEU A 78 -11.283 -8.693 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.867 -7.709 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.442 -6.703 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.776 -6.170 1.100 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.568 -5.761 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.982 -3.391 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.488 -4.339 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.734 -3.862 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.845 -4.445 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.509 -4.939 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.802 -6.156 -0.012 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.351 -8.849 2.325 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.087 -9.655 3.260 1.00 0.00 C ATOM 1255 C ARG A 79 -13.406 -8.929 3.570 1.00 0.00 C ATOM 1256 O ARG A 79 -14.356 -9.507 4.076 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.226 -9.824 4.497 1.00 0.00 C ATOM 1258 CG ARG A 79 -11.474 -11.081 5.295 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.410 -11.202 6.362 1.00 0.00 C ATOM 1260 NE ARG A 79 -10.462 -12.456 7.111 1.00 0.00 N ATOM 1261 CZ ARG A 79 -9.598 -12.768 8.090 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -8.780 -11.834 8.585 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -9.575 -13.990 8.590 1.00 0.00 N ATOM 0 H ARG A 79 -10.563 -8.350 2.739 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.325 -10.643 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.179 -9.807 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.383 -8.964 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.463 -11.049 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.453 -11.953 4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.429 -11.109 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.512 -10.370 7.058 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.192 -13.129 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.812 -10.882 8.219 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.124 -12.073 9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.215 -14.699 8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.918 -14.224 9.334 1.00 0.00 H new ATOM 1277 N SER A 80 -13.425 -7.648 3.214 1.00 0.00 N ATOM 1278 CA SER A 80 -14.564 -6.772 3.334 1.00 0.00 C ATOM 1279 C SER A 80 -15.679 -7.207 2.357 1.00 0.00 C ATOM 1280 O SER A 80 -16.868 -6.941 2.584 1.00 0.00 O ATOM 1281 CB SER A 80 -14.089 -5.379 2.952 1.00 0.00 C ATOM 1282 OG SER A 80 -12.780 -5.150 3.469 1.00 0.00 O ATOM 0 H SER A 80 -12.608 -7.182 2.819 1.00 0.00 H new ATOM 0 HA SER A 80 -14.963 -6.800 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.084 -5.273 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.779 -4.631 3.343 1.00 0.00 H new ATOM 0 HG SER A 80 -12.664 -4.195 3.655 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.281 -7.857 1.270 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.223 -8.311 0.270 1.00 0.00 C ATOM 1290 C TRP A 81 -16.909 -9.557 0.759 1.00 0.00 C ATOM 1291 O TRP A 81 -18.141 -9.645 0.831 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.513 -8.672 -1.041 1.00 0.00 C ATOM 1293 CG TRP A 81 -14.814 -7.566 -1.758 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.084 -6.230 -1.688 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -13.757 -7.719 -2.720 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.241 -5.537 -2.515 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.420 -6.425 -3.165 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.042 -8.829 -3.245 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.424 -6.201 -4.102 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.060 -8.586 -4.175 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.759 -7.288 -4.591 1.00 0.00 C ATOM 0 H TRP A 81 -14.307 -8.079 1.064 1.00 0.00 H new ATOM 0 HA TRP A 81 -16.932 -7.502 0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.783 -9.452 -0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.250 -9.103 -1.719 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.850 -5.785 -1.071 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.225 -4.524 -2.630 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.264 -9.835 -2.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.183 -5.202 -4.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.510 -9.416 -4.593 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.977 -7.140 -5.321 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.103 -10.509 1.111 1.00 0.00 N ATOM 1313 CA TYR A 82 -16.553 -11.797 1.492 1.00 0.00 C ATOM 1314 C TYR A 82 -15.524 -12.479 2.358 1.00 0.00 C ATOM 1315 O TYR A 82 -14.343 -12.134 2.287 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.929 -12.659 0.246 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.937 -12.747 -0.942 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -14.666 -12.171 -0.923 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -16.317 -13.411 -2.102 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -13.826 -12.259 -2.016 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -15.485 -13.500 -3.191 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.248 -12.925 -3.148 1.00 0.00 C ATOM 1323 OH TYR A 82 -13.422 -13.022 -4.245 1.00 0.00 O ATOM 0 H TYR A 82 -15.089 -10.402 1.140 1.00 0.00 H new ATOM 0 HA TYR A 82 -17.462 -11.683 2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.114 -13.675 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.873 -12.278 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.334 -11.648 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -17.294 -13.870 -2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.845 -11.809 -1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.809 -14.023 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.876 -13.525 -4.953 1.00 0.00 H new TER 1333 TYR A 82