USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 830 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 58 ASN : amide:sc= -2.97! C(o=-2.7!,f=-11!) USER MOD Set 1.2: A 60 TYR OH : rot -38:sc= 0.306 USER MOD Set 2.1: A 8 TYR OH : rot -44:sc= -3.56! USER MOD Set 2.2: A 40 TYR OH : rot 175:sc= -2.24! USER MOD Set 3.1: A 39 TYR OH : rot 165:sc= -1.17 USER MOD Set 3.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 17 SER OG : rot 100:sc= -2.43! USER MOD Set 4.2: A 18 SER OG : rot 180:sc= -1.52 USER MOD Set 4.3: A 32 HIS : no HD1:sc= -12! C(o=-16!,f=-10!) USER MOD Single : A 1 GLU N :NH3+ 169:sc= -0.582 (180deg=-0.669) USER MOD Single : A 2 SER OG : rot 180:sc= -0.422 USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= -1.02 (180deg=-4.86!) USER MOD Single : A 6 TYR OH : rot 133:sc= -1.45! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -12.6! C(o=-13!,f=-17!) USER MOD Single : A 14 GLN : amide:sc= -13.1! C(o=-13!,f=-10!) USER MOD Single : A 20 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.6) USER MOD Single : A 23 GLN : amide:sc= -1.55! C(o=-1.5!,f=-4.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -105:sc= 1.06 USER MOD Single : A 34 THR OG1 : rot -64:sc= 0.208 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.85) USER MOD Single : A 37 TYR OH : rot 66:sc= 0.308 USER MOD Single : A 42 THR OG1 : rot -58:sc= 1.09 USER MOD Single : A 48 GLN : amide:sc= -8.18! C(o=-8.2!,f=-4.3!) USER MOD Single : A 49 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.8!) USER MOD Single : A 50 SER OG : rot 108:sc= 0.891 USER MOD Single : A 53 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.0073) USER MOD Single : A 54 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1.1) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= -0.451 (180deg=-1.39) USER MOD Single : A 67 SER OG : rot 180:sc= 0.057 USER MOD Single : A 68 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.65) USER MOD Single : A 101 SER OG : rot 14:sc= 0.0259 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.503 8.283 -8.190 1.00 0.00 N ATOM 2 CA GLU A 1 18.383 9.497 -7.334 1.00 0.00 C ATOM 3 C GLU A 1 16.907 9.859 -7.160 1.00 0.00 C ATOM 4 O GLU A 1 16.566 10.797 -6.468 1.00 0.00 O ATOM 5 CB GLU A 1 19.116 10.663 -7.999 1.00 0.00 C ATOM 6 CG GLU A 1 18.474 10.967 -9.354 1.00 0.00 C ATOM 7 CD GLU A 1 19.524 10.836 -10.459 1.00 0.00 C ATOM 8 OE1 GLU A 1 20.611 11.362 -10.282 1.00 0.00 O ATOM 9 OE2 GLU A 1 19.222 10.214 -11.464 1.00 0.00 O ATOM 0 H1 GLU A 1 19.498 8.146 -8.461 1.00 0.00 H new ATOM 0 H2 GLU A 1 18.171 7.451 -7.661 1.00 0.00 H new ATOM 0 H3 GLU A 1 17.925 8.403 -9.046 1.00 0.00 H new ATOM 0 HA GLU A 1 18.825 9.296 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 1 19.074 11.545 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 1 20.169 10.415 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 1 17.648 10.280 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 1 18.056 11.974 -9.352 1.00 0.00 H new ATOM 18 N SER A 2 16.026 9.122 -7.781 1.00 0.00 N ATOM 19 CA SER A 2 14.574 9.426 -7.649 1.00 0.00 C ATOM 20 C SER A 2 13.758 8.188 -8.033 1.00 0.00 C ATOM 21 O SER A 2 14.269 7.086 -8.071 1.00 0.00 O ATOM 22 CB SER A 2 14.215 10.592 -8.573 1.00 0.00 C ATOM 23 OG SER A 2 15.360 10.955 -9.336 1.00 0.00 O ATOM 0 H SER A 2 16.250 8.323 -8.374 1.00 0.00 H new ATOM 0 HA SER A 2 14.347 9.700 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.397 10.308 -9.235 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.869 11.443 -7.986 1.00 0.00 H new ATOM 0 HG SER A 2 15.134 11.701 -9.930 1.00 0.00 H new ATOM 29 N LYS A 3 12.494 8.356 -8.321 1.00 0.00 N ATOM 30 CA LYS A 3 11.652 7.183 -8.704 1.00 0.00 C ATOM 31 C LYS A 3 10.991 7.448 -10.063 1.00 0.00 C ATOM 32 O LYS A 3 9.790 7.616 -10.144 1.00 0.00 O ATOM 33 CB LYS A 3 10.562 6.955 -7.646 1.00 0.00 C ATOM 34 CG LYS A 3 10.968 7.607 -6.321 1.00 0.00 C ATOM 35 CD LYS A 3 9.905 7.314 -5.260 1.00 0.00 C ATOM 36 CE LYS A 3 9.454 8.623 -4.612 1.00 0.00 C ATOM 37 NZ LYS A 3 10.621 9.540 -4.480 1.00 0.00 N ATOM 0 H LYS A 3 12.008 9.253 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 3 12.283 6.297 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.617 7.373 -7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.404 5.886 -7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.936 7.224 -5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.079 8.683 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.053 6.809 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.308 6.641 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.677 9.091 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.020 8.425 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.480 10.165 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.488 8.981 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.711 10.114 -5.342 1.00 0.00 H new ATOM 51 N PRO A 4 11.802 7.478 -11.092 1.00 0.00 N ATOM 52 CA PRO A 4 11.339 7.723 -12.474 1.00 0.00 C ATOM 53 C PRO A 4 10.605 6.521 -13.126 1.00 0.00 C ATOM 54 O PRO A 4 9.769 6.739 -13.979 1.00 0.00 O ATOM 55 CB PRO A 4 12.630 8.049 -13.232 1.00 0.00 C ATOM 56 CG PRO A 4 13.789 7.441 -12.409 1.00 0.00 C ATOM 57 CD PRO A 4 13.264 7.284 -10.971 1.00 0.00 C ATOM 0 HA PRO A 4 10.593 8.518 -12.496 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.606 7.628 -14.237 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.755 9.126 -13.340 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.093 6.478 -12.819 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.665 8.089 -12.434 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.503 6.301 -10.566 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.709 8.021 -10.302 1.00 0.00 H new ATOM 65 N PRO A 5 10.925 5.292 -12.757 1.00 0.00 N ATOM 66 CA PRO A 5 10.274 4.115 -13.371 1.00 0.00 C ATOM 67 C PRO A 5 8.823 3.942 -12.905 1.00 0.00 C ATOM 68 O PRO A 5 7.897 4.218 -13.640 1.00 0.00 O ATOM 69 CB PRO A 5 11.142 2.937 -12.922 1.00 0.00 C ATOM 70 CG PRO A 5 11.890 3.409 -11.659 1.00 0.00 C ATOM 71 CD PRO A 5 11.927 4.945 -11.724 1.00 0.00 C ATOM 0 HA PRO A 5 10.208 4.207 -14.455 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.529 2.062 -12.707 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.844 2.650 -13.705 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.380 3.071 -10.757 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.899 2.997 -11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.676 5.390 -10.761 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.919 5.308 -11.994 1.00 0.00 H new ATOM 79 N TYR A 6 8.604 3.468 -11.709 1.00 0.00 N ATOM 80 CA TYR A 6 7.206 3.249 -11.254 1.00 0.00 C ATOM 81 C TYR A 6 6.547 4.566 -10.892 1.00 0.00 C ATOM 82 O TYR A 6 7.126 5.434 -10.271 1.00 0.00 O ATOM 83 CB TYR A 6 7.209 2.330 -10.040 1.00 0.00 C ATOM 84 CG TYR A 6 7.698 0.957 -10.441 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.935 0.640 -11.790 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.919 -0.002 -9.453 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.391 -0.638 -12.135 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.373 -1.278 -9.800 1.00 0.00 C ATOM 89 CZ TYR A 6 8.609 -1.596 -11.138 1.00 0.00 C ATOM 90 OH TYR A 6 9.061 -2.856 -11.475 1.00 0.00 O ATOM 0 H TYR A 6 9.328 3.225 -11.033 1.00 0.00 H new ATOM 0 HA TYR A 6 6.641 2.791 -12.066 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.851 2.742 -9.262 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.205 2.261 -9.622 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.766 1.380 -12.558 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.739 0.242 -8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.575 -0.885 -13.170 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.541 -2.018 -9.032 1.00 0.00 H new ATOM 0 HH TYR A 6 9.799 -3.108 -10.882 1.00 0.00 H new ATOM 100 N SER A 7 5.324 4.707 -11.301 1.00 0.00 N ATOM 101 CA SER A 7 4.569 5.959 -11.021 1.00 0.00 C ATOM 102 C SER A 7 3.723 5.777 -9.759 1.00 0.00 C ATOM 103 O SER A 7 3.765 4.747 -9.116 1.00 0.00 O ATOM 104 CB SER A 7 3.658 6.272 -12.206 1.00 0.00 C ATOM 105 OG SER A 7 4.123 7.448 -12.857 1.00 0.00 O ATOM 0 H SER A 7 4.806 4.001 -11.824 1.00 0.00 H new ATOM 0 HA SER A 7 5.268 6.781 -10.869 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.649 5.435 -12.904 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.633 6.413 -11.864 1.00 0.00 H new ATOM 0 HG SER A 7 3.542 7.651 -13.619 1.00 0.00 H new ATOM 111 N TYR A 8 2.957 6.769 -9.398 1.00 0.00 N ATOM 112 CA TYR A 8 2.115 6.647 -8.176 1.00 0.00 C ATOM 113 C TYR A 8 0.686 6.287 -8.583 1.00 0.00 C ATOM 114 O TYR A 8 -0.270 6.935 -8.208 1.00 0.00 O ATOM 115 CB TYR A 8 2.134 7.968 -7.413 1.00 0.00 C ATOM 116 CG TYR A 8 3.383 8.025 -6.566 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.593 7.522 -7.065 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.335 8.574 -5.280 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.750 7.572 -6.279 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.492 8.624 -4.496 1.00 0.00 C ATOM 121 CZ TYR A 8 5.700 8.123 -4.995 1.00 0.00 C ATOM 122 OH TYR A 8 6.841 8.171 -4.220 1.00 0.00 O ATOM 0 H TYR A 8 2.878 7.656 -9.895 1.00 0.00 H new ATOM 0 HA TYR A 8 2.508 5.862 -7.530 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.112 8.806 -8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.248 8.053 -6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.632 7.096 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.404 8.960 -4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.682 7.185 -6.664 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.453 9.050 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 8 7.318 7.317 -4.286 1.00 0.00 H new ATOM 132 N ALA A 9 0.552 5.244 -9.349 1.00 0.00 N ATOM 133 CA ALA A 9 -0.792 4.789 -9.809 1.00 0.00 C ATOM 134 C ALA A 9 -0.606 3.469 -10.549 1.00 0.00 C ATOM 135 O ALA A 9 -1.361 2.532 -10.386 1.00 0.00 O ATOM 136 CB ALA A 9 -1.397 5.829 -10.751 1.00 0.00 C ATOM 0 H ALA A 9 1.330 4.675 -9.683 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.463 4.661 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.378 5.491 -11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.499 6.779 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.746 5.959 -11.615 1.00 0.00 H new ATOM 142 N GLN A 10 0.436 3.385 -11.327 1.00 0.00 N ATOM 143 CA GLN A 10 0.741 2.124 -12.053 1.00 0.00 C ATOM 144 C GLN A 10 1.599 1.295 -11.113 1.00 0.00 C ATOM 145 O GLN A 10 1.577 0.080 -11.125 1.00 0.00 O ATOM 146 CB GLN A 10 1.516 2.430 -13.335 1.00 0.00 C ATOM 147 CG GLN A 10 2.842 3.098 -12.979 1.00 0.00 C ATOM 148 CD GLN A 10 3.870 2.027 -12.615 1.00 0.00 C ATOM 149 OE1 GLN A 10 4.457 2.066 -11.551 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.114 1.062 -13.459 1.00 0.00 N ATOM 0 H GLN A 10 1.096 4.145 -11.492 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.170 1.596 -12.335 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.697 1.511 -13.892 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.929 3.083 -13.981 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.201 3.690 -13.821 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.703 3.783 -12.143 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.622 1.029 -14.352 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.797 0.341 -13.226 1.00 0.00 H new ATOM 159 N LEU A 11 2.326 1.965 -10.256 1.00 0.00 N ATOM 160 CA LEU A 11 3.153 1.252 -9.261 1.00 0.00 C ATOM 161 C LEU A 11 2.204 0.308 -8.525 1.00 0.00 C ATOM 162 O LEU A 11 2.536 -0.813 -8.194 1.00 0.00 O ATOM 163 CB LEU A 11 3.740 2.284 -8.297 1.00 0.00 C ATOM 164 CG LEU A 11 4.305 1.599 -7.058 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.823 1.537 -7.170 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.926 2.412 -5.822 1.00 0.00 C ATOM 0 H LEU A 11 2.377 2.983 -10.210 1.00 0.00 H new ATOM 0 HA LEU A 11 3.974 0.696 -9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.526 2.851 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.969 2.997 -8.005 1.00 0.00 H new ATOM 0 HG LEU A 11 3.900 0.590 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.233 1.048 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.099 0.971 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.224 2.548 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.327 1.928 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.340 3.417 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.840 2.472 -5.745 1.00 0.00 H new ATOM 178 N ILE A 12 0.998 0.769 -8.315 1.00 0.00 N ATOM 179 CA ILE A 12 -0.044 -0.064 -7.647 1.00 0.00 C ATOM 180 C ILE A 12 -0.518 -1.127 -8.632 1.00 0.00 C ATOM 181 O ILE A 12 -0.488 -2.311 -8.361 1.00 0.00 O ATOM 182 CB ILE A 12 -1.254 0.797 -7.287 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.830 2.227 -6.929 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.996 0.162 -6.112 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.280 2.200 -5.889 1.00 0.00 C ATOM 0 H ILE A 12 0.687 1.703 -8.583 1.00 0.00 H new ATOM 0 HA ILE A 12 0.380 -0.509 -6.747 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.913 0.850 -8.154 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.488 2.748 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.685 2.782 -6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.860 0.775 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.330 -0.838 -6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.328 0.095 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.573 3.221 -5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.076 1.698 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.140 1.662 -6.288 1.00 0.00 H new ATOM 197 N VAL A 13 -0.963 -0.698 -9.781 1.00 0.00 N ATOM 198 CA VAL A 13 -1.453 -1.659 -10.802 1.00 0.00 C ATOM 199 C VAL A 13 -0.404 -2.740 -11.000 1.00 0.00 C ATOM 200 O VAL A 13 -0.662 -3.913 -10.819 1.00 0.00 O ATOM 201 CB VAL A 13 -1.659 -0.920 -12.121 1.00 0.00 C ATOM 202 CG1 VAL A 13 -2.053 -1.920 -13.209 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.759 0.126 -11.945 1.00 0.00 C ATOM 0 H VAL A 13 -1.007 0.283 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.393 -2.105 -10.476 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.735 -0.422 -12.415 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.200 -1.393 -14.152 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.261 -2.660 -13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.978 -2.421 -12.925 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.910 0.657 -12.885 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.686 -0.367 -11.654 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.466 0.835 -11.171 1.00 0.00 H new ATOM 213 N GLN A 14 0.783 -2.356 -11.354 1.00 0.00 N ATOM 214 CA GLN A 14 1.849 -3.364 -11.544 1.00 0.00 C ATOM 215 C GLN A 14 2.028 -4.126 -10.224 1.00 0.00 C ATOM 216 O GLN A 14 2.401 -5.282 -10.205 1.00 0.00 O ATOM 217 CB GLN A 14 3.143 -2.652 -11.962 1.00 0.00 C ATOM 218 CG GLN A 14 3.916 -2.164 -10.733 1.00 0.00 C ATOM 219 CD GLN A 14 5.034 -3.155 -10.426 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.029 -2.805 -9.825 1.00 0.00 O ATOM 221 NE2 GLN A 14 4.909 -4.394 -10.820 1.00 0.00 N ATOM 0 H GLN A 14 1.061 -1.389 -11.520 1.00 0.00 H new ATOM 0 HA GLN A 14 1.587 -4.074 -12.328 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.766 -3.332 -12.543 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.906 -1.806 -12.608 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.331 -1.173 -10.918 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.246 -2.075 -9.878 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.072 -4.687 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.648 -5.069 -10.623 1.00 0.00 H new ATOM 230 N ALA A 15 1.748 -3.478 -9.123 1.00 0.00 N ATOM 231 CA ALA A 15 1.878 -4.147 -7.797 1.00 0.00 C ATOM 232 C ALA A 15 0.766 -5.185 -7.625 1.00 0.00 C ATOM 233 O ALA A 15 1.015 -6.328 -7.298 1.00 0.00 O ATOM 234 CB ALA A 15 1.766 -3.101 -6.679 1.00 0.00 C ATOM 0 H ALA A 15 1.433 -2.508 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 15 2.848 -4.642 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.861 -3.592 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.560 -2.362 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.797 -2.605 -6.741 1.00 0.00 H new ATOM 240 N ILE A 16 -0.463 -4.792 -7.830 1.00 0.00 N ATOM 241 CA ILE A 16 -1.593 -5.760 -7.658 1.00 0.00 C ATOM 242 C ILE A 16 -1.739 -6.621 -8.912 1.00 0.00 C ATOM 243 O ILE A 16 -2.191 -7.746 -8.850 1.00 0.00 O ATOM 244 CB ILE A 16 -2.923 -5.029 -7.387 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.704 -3.511 -7.284 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.510 -5.546 -6.073 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.871 -2.856 -6.536 1.00 0.00 C ATOM 0 H ILE A 16 -0.736 -3.849 -8.108 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.362 -6.390 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.607 -5.222 -8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.768 -3.306 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.615 -3.081 -8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.452 -5.036 -5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.687 -6.619 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.810 -5.352 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.703 -1.781 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.800 -3.046 -7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.940 -3.275 -5.532 1.00 0.00 H new ATOM 259 N SER A 17 -1.361 -6.109 -10.047 1.00 0.00 N ATOM 260 CA SER A 17 -1.481 -6.910 -11.296 1.00 0.00 C ATOM 261 C SER A 17 -0.733 -8.233 -11.122 1.00 0.00 C ATOM 262 O SER A 17 -1.193 -9.278 -11.535 1.00 0.00 O ATOM 263 CB SER A 17 -0.866 -6.134 -12.457 1.00 0.00 C ATOM 264 OG SER A 17 0.491 -5.843 -12.155 1.00 0.00 O ATOM 0 H SER A 17 -0.975 -5.172 -10.165 1.00 0.00 H new ATOM 0 HA SER A 17 -2.533 -7.107 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.930 -6.718 -13.375 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.420 -5.211 -12.627 1.00 0.00 H new ATOM 0 HG SER A 17 1.073 -6.484 -12.614 1.00 0.00 H new ATOM 270 N SER A 18 0.423 -8.189 -10.522 1.00 0.00 N ATOM 271 CA SER A 18 1.211 -9.437 -10.328 1.00 0.00 C ATOM 272 C SER A 18 0.816 -10.108 -9.010 1.00 0.00 C ATOM 273 O SER A 18 1.387 -11.106 -8.621 1.00 0.00 O ATOM 274 CB SER A 18 2.701 -9.096 -10.295 1.00 0.00 C ATOM 275 OG SER A 18 2.869 -7.701 -10.513 1.00 0.00 O ATOM 0 H SER A 18 0.857 -7.341 -10.157 1.00 0.00 H new ATOM 0 HA SER A 18 1.006 -10.120 -11.152 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.129 -9.380 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.232 -9.662 -11.060 1.00 0.00 H new ATOM 0 HG SER A 18 3.823 -7.479 -10.491 1.00 0.00 H new ATOM 281 N ALA A 19 -0.156 -9.576 -8.316 1.00 0.00 N ATOM 282 CA ALA A 19 -0.570 -10.205 -7.030 1.00 0.00 C ATOM 283 C ALA A 19 -1.258 -11.540 -7.320 1.00 0.00 C ATOM 284 O ALA A 19 -1.655 -11.814 -8.436 1.00 0.00 O ATOM 285 CB ALA A 19 -1.540 -9.280 -6.293 1.00 0.00 C ATOM 0 H ALA A 19 -0.676 -8.740 -8.582 1.00 0.00 H new ATOM 0 HA ALA A 19 0.309 -10.373 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.841 -9.743 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.050 -8.328 -6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.421 -9.109 -6.912 1.00 0.00 H new ATOM 291 N GLN A 20 -1.404 -12.375 -6.327 1.00 0.00 N ATOM 292 CA GLN A 20 -2.067 -13.691 -6.550 1.00 0.00 C ATOM 293 C GLN A 20 -3.309 -13.491 -7.416 1.00 0.00 C ATOM 294 O GLN A 20 -3.310 -13.777 -8.598 1.00 0.00 O ATOM 295 CB GLN A 20 -2.486 -14.291 -5.206 1.00 0.00 C ATOM 296 CG GLN A 20 -1.241 -14.636 -4.391 1.00 0.00 C ATOM 297 CD GLN A 20 -0.413 -15.679 -5.144 1.00 0.00 C ATOM 298 OE1 GLN A 20 -0.950 -16.483 -5.879 1.00 0.00 O ATOM 299 NE2 GLN A 20 0.882 -15.699 -4.991 1.00 0.00 N ATOM 0 H GLN A 20 -1.093 -12.202 -5.371 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.371 -14.365 -7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.108 -13.583 -4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.088 -15.186 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.646 -13.739 -4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.529 -15.021 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.333 -15.024 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.444 -16.390 -5.489 1.00 0.00 H new ATOM 308 N ASP A 21 -4.367 -12.998 -6.835 1.00 0.00 N ATOM 309 CA ASP A 21 -5.613 -12.775 -7.616 1.00 0.00 C ATOM 310 C ASP A 21 -5.590 -11.370 -8.221 1.00 0.00 C ATOM 311 O ASP A 21 -5.394 -11.198 -9.408 1.00 0.00 O ATOM 312 CB ASP A 21 -6.821 -12.916 -6.689 1.00 0.00 C ATOM 313 CG ASP A 21 -7.985 -13.540 -7.460 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.756 -14.522 -8.147 1.00 0.00 O ATOM 315 OD2 ASP A 21 -9.086 -13.024 -7.352 1.00 0.00 O ATOM 0 H ASP A 21 -4.421 -12.739 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.681 -13.511 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.564 -13.538 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.110 -11.940 -6.300 1.00 0.00 H new ATOM 320 N ARG A 22 -5.794 -10.363 -7.417 1.00 0.00 N ATOM 321 CA ARG A 22 -5.789 -8.973 -7.951 1.00 0.00 C ATOM 322 C ARG A 22 -6.073 -7.985 -6.814 1.00 0.00 C ATOM 323 O ARG A 22 -6.671 -6.947 -7.019 1.00 0.00 O ATOM 324 CB ARG A 22 -6.871 -8.841 -9.026 1.00 0.00 C ATOM 325 CG ARG A 22 -6.292 -8.140 -10.257 1.00 0.00 C ATOM 326 CD ARG A 22 -6.641 -8.939 -11.516 1.00 0.00 C ATOM 327 NE ARG A 22 -8.113 -9.171 -11.569 1.00 0.00 N ATOM 328 CZ ARG A 22 -8.655 -9.722 -12.624 1.00 0.00 C ATOM 329 NH1 ARG A 22 -7.916 -10.022 -13.660 1.00 0.00 N ATOM 330 NH2 ARG A 22 -9.936 -9.974 -12.644 1.00 0.00 N ATOM 0 H ARG A 22 -5.964 -10.443 -6.414 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.814 -8.752 -8.385 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.247 -9.827 -9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.717 -8.274 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.692 -7.129 -10.334 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.210 -8.049 -10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.316 -8.398 -12.404 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.112 -9.892 -11.512 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.699 -8.899 -10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.915 -9.826 -13.646 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.340 -10.452 -14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.514 -9.741 -11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.358 -10.404 -13.467 1.00 0.00 H new ATOM 344 N GLN A 23 -5.656 -8.297 -5.614 1.00 0.00 N ATOM 345 CA GLN A 23 -5.915 -7.370 -4.472 1.00 0.00 C ATOM 346 C GLN A 23 -4.675 -7.286 -3.577 1.00 0.00 C ATOM 347 O GLN A 23 -4.036 -8.279 -3.291 1.00 0.00 O ATOM 348 CB GLN A 23 -7.097 -7.892 -3.650 1.00 0.00 C ATOM 349 CG GLN A 23 -6.908 -9.384 -3.369 1.00 0.00 C ATOM 350 CD GLN A 23 -8.167 -10.145 -3.789 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.158 -10.865 -4.767 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.259 -10.014 -3.086 1.00 0.00 N ATOM 0 H GLN A 23 -5.149 -9.150 -5.376 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.146 -6.379 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.172 -7.342 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.029 -7.729 -4.191 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.043 -9.761 -3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.710 -9.543 -2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.267 -9.409 -2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.104 -10.516 -3.358 1.00 0.00 H new ATOM 361 N LEU A 24 -4.326 -6.106 -3.135 1.00 0.00 N ATOM 362 CA LEU A 24 -3.133 -5.960 -2.264 1.00 0.00 C ATOM 363 C LEU A 24 -3.466 -5.074 -1.068 1.00 0.00 C ATOM 364 O LEU A 24 -4.182 -4.100 -1.185 1.00 0.00 O ATOM 365 CB LEU A 24 -2.009 -5.290 -3.049 1.00 0.00 C ATOM 366 CG LEU A 24 -1.341 -6.309 -3.967 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.311 -5.599 -4.845 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.641 -7.369 -3.115 1.00 0.00 C ATOM 0 H LEU A 24 -4.820 -5.238 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.827 -6.949 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.407 -4.463 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.275 -4.869 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.091 -6.784 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.168 -6.324 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.808 -4.838 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.442 -5.128 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.162 -8.100 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.112 -6.892 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.374 -7.871 -2.484 1.00 0.00 H new ATOM 380 N THR A 25 -2.920 -5.378 0.074 1.00 0.00 N ATOM 381 CA THR A 25 -3.172 -4.521 1.261 1.00 0.00 C ATOM 382 C THR A 25 -2.256 -3.305 1.141 1.00 0.00 C ATOM 383 O THR A 25 -1.247 -3.358 0.467 1.00 0.00 O ATOM 384 CB THR A 25 -2.839 -5.295 2.540 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.428 -5.361 2.699 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.411 -6.712 2.447 1.00 0.00 C ATOM 0 H THR A 25 -2.312 -6.181 0.236 1.00 0.00 H new ATOM 0 HA THR A 25 -4.218 -4.218 1.306 1.00 0.00 H new ATOM 0 HB THR A 25 -3.278 -4.785 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.214 -5.855 3.518 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.173 -7.261 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.493 -6.660 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.975 -7.225 1.590 1.00 0.00 H new ATOM 394 N LEU A 26 -2.574 -2.211 1.769 1.00 0.00 N ATOM 395 CA LEU A 26 -1.672 -1.034 1.641 1.00 0.00 C ATOM 396 C LEU A 26 -0.252 -1.494 1.955 1.00 0.00 C ATOM 397 O LEU A 26 0.690 -1.143 1.276 1.00 0.00 O ATOM 398 CB LEU A 26 -2.090 0.076 2.611 1.00 0.00 C ATOM 399 CG LEU A 26 -3.374 0.747 2.109 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.276 1.019 0.606 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.558 -0.172 2.385 1.00 0.00 C ATOM 0 H LEU A 26 -3.400 -2.080 2.353 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.729 -0.632 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.251 -0.339 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.293 0.814 2.699 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.511 1.695 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.194 1.496 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.430 1.677 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.134 0.078 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.475 0.299 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.412 -1.119 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.635 -0.354 3.457 1.00 0.00 H new ATOM 413 N SER A 27 -0.100 -2.305 2.966 1.00 0.00 N ATOM 414 CA SER A 27 1.254 -2.814 3.314 1.00 0.00 C ATOM 415 C SER A 27 1.578 -4.027 2.438 1.00 0.00 C ATOM 416 O SER A 27 2.542 -4.729 2.666 1.00 0.00 O ATOM 417 CB SER A 27 1.280 -3.225 4.786 1.00 0.00 C ATOM 418 OG SER A 27 2.337 -2.540 5.446 1.00 0.00 O ATOM 0 H SER A 27 -0.856 -2.636 3.565 1.00 0.00 H new ATOM 0 HA SER A 27 1.995 -2.033 3.143 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.327 -2.988 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.420 -4.303 4.872 1.00 0.00 H new ATOM 0 HG SER A 27 2.356 -2.800 6.391 1.00 0.00 H new ATOM 424 N GLY A 28 0.792 -4.264 1.419 1.00 0.00 N ATOM 425 CA GLY A 28 1.070 -5.412 0.514 1.00 0.00 C ATOM 426 C GLY A 28 1.749 -4.848 -0.720 1.00 0.00 C ATOM 427 O GLY A 28 2.760 -5.336 -1.182 1.00 0.00 O ATOM 0 H GLY A 28 -0.030 -3.710 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.710 -6.145 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.146 -5.925 0.246 1.00 0.00 H new ATOM 431 N ILE A 29 1.190 -3.794 -1.236 1.00 0.00 N ATOM 432 CA ILE A 29 1.770 -3.138 -2.421 1.00 0.00 C ATOM 433 C ILE A 29 3.218 -2.785 -2.123 1.00 0.00 C ATOM 434 O ILE A 29 4.072 -2.799 -2.988 1.00 0.00 O ATOM 435 CB ILE A 29 0.971 -1.877 -2.684 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.341 -1.308 -4.039 1.00 0.00 C ATOM 437 CG2 ILE A 29 1.261 -0.841 -1.602 1.00 0.00 C ATOM 438 CD1 ILE A 29 0.689 0.055 -4.167 1.00 0.00 C ATOM 0 H ILE A 29 0.342 -3.357 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 29 1.736 -3.791 -3.293 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.091 -2.123 -2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.424 -1.223 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.002 -1.970 -4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.683 0.062 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.984 -1.245 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.324 -0.599 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.939 0.489 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.393 -0.050 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.051 0.708 -3.373 1.00 0.00 H new ATOM 450 N TYR A 30 3.497 -2.490 -0.892 1.00 0.00 N ATOM 451 CA TYR A 30 4.888 -2.155 -0.499 1.00 0.00 C ATOM 452 C TYR A 30 5.709 -3.435 -0.540 1.00 0.00 C ATOM 453 O TYR A 30 6.749 -3.502 -1.161 1.00 0.00 O ATOM 454 CB TYR A 30 4.883 -1.562 0.912 1.00 0.00 C ATOM 455 CG TYR A 30 3.805 -0.504 0.985 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.464 0.217 -0.163 1.00 0.00 C ATOM 457 CD2 TYR A 30 3.137 -0.255 2.189 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.459 1.187 -0.113 1.00 0.00 C ATOM 459 CE2 TYR A 30 2.130 0.718 2.239 1.00 0.00 C ATOM 460 CZ TYR A 30 1.791 1.437 1.087 1.00 0.00 C ATOM 461 OH TYR A 30 0.798 2.394 1.138 1.00 0.00 O ATOM 0 H TYR A 30 2.816 -2.466 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 30 5.321 -1.421 -1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.698 -2.343 1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.856 -1.128 1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.979 0.024 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.397 -0.811 3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.199 1.743 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.615 0.913 3.168 1.00 0.00 H new ATOM 0 HH TYR A 30 1.138 3.194 1.590 1.00 0.00 H new ATOM 471 N ALA A 31 5.231 -4.464 0.093 1.00 0.00 N ATOM 472 CA ALA A 31 5.967 -5.751 0.071 1.00 0.00 C ATOM 473 C ALA A 31 6.005 -6.277 -1.368 1.00 0.00 C ATOM 474 O ALA A 31 6.760 -7.173 -1.687 1.00 0.00 O ATOM 475 CB ALA A 31 5.248 -6.762 0.968 1.00 0.00 C ATOM 0 H ALA A 31 4.361 -4.469 0.625 1.00 0.00 H new ATOM 0 HA ALA A 31 6.983 -5.605 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.787 -7.709 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.211 -6.381 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.233 -6.917 0.601 1.00 0.00 H new ATOM 481 N HIS A 32 5.195 -5.730 -2.245 1.00 0.00 N ATOM 482 CA HIS A 32 5.198 -6.211 -3.653 1.00 0.00 C ATOM 483 C HIS A 32 6.412 -5.646 -4.390 1.00 0.00 C ATOM 484 O HIS A 32 7.321 -6.366 -4.754 1.00 0.00 O ATOM 485 CB HIS A 32 3.919 -5.746 -4.351 1.00 0.00 C ATOM 486 CG HIS A 32 3.992 -6.102 -5.810 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.140 -7.030 -6.385 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.805 -5.660 -6.825 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.454 -7.115 -7.691 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.463 -6.301 -8.012 1.00 0.00 N ATOM 0 H HIS A 32 4.538 -4.976 -2.043 1.00 0.00 H new ATOM 0 HA HIS A 32 5.246 -7.300 -3.661 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.049 -6.217 -3.893 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.798 -4.669 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.590 -4.926 -6.718 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.951 -7.763 -8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.891 -6.176 -8.929 1.00 0.00 H new ATOM 498 N ILE A 33 6.432 -4.362 -4.620 1.00 0.00 N ATOM 499 CA ILE A 33 7.582 -3.751 -5.342 1.00 0.00 C ATOM 500 C ILE A 33 8.836 -3.792 -4.464 1.00 0.00 C ATOM 501 O ILE A 33 9.914 -4.081 -4.931 1.00 0.00 O ATOM 502 CB ILE A 33 7.250 -2.302 -5.700 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.868 -1.533 -4.436 1.00 0.00 C ATOM 504 CG2 ILE A 33 6.080 -2.271 -6.687 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.075 -0.726 -3.963 1.00 0.00 C ATOM 0 H ILE A 33 5.700 -3.709 -4.339 1.00 0.00 H new ATOM 0 HA ILE A 33 7.771 -4.316 -6.255 1.00 0.00 H new ATOM 0 HB ILE A 33 8.124 -1.837 -6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.027 -0.870 -4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.548 -2.224 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.845 -1.237 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.353 -2.814 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.208 -2.740 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.812 -0.173 -3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.902 -1.402 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.373 -0.026 -4.743 1.00 0.00 H new ATOM 517 N THR A 34 8.716 -3.510 -3.194 1.00 0.00 N ATOM 518 CA THR A 34 9.927 -3.540 -2.319 1.00 0.00 C ATOM 519 C THR A 34 10.570 -4.929 -2.374 1.00 0.00 C ATOM 520 O THR A 34 11.698 -5.117 -1.965 1.00 0.00 O ATOM 521 CB THR A 34 9.540 -3.218 -0.872 1.00 0.00 C ATOM 522 OG1 THR A 34 8.772 -4.286 -0.337 1.00 0.00 O ATOM 523 CG2 THR A 34 8.726 -1.925 -0.831 1.00 0.00 C ATOM 0 H THR A 34 7.843 -3.263 -2.728 1.00 0.00 H new ATOM 0 HA THR A 34 10.637 -2.793 -2.675 1.00 0.00 H new ATOM 0 HB THR A 34 10.444 -3.090 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.933 -4.368 -0.837 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.453 -1.700 0.200 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.322 -1.107 -1.236 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.822 -2.045 -1.428 1.00 0.00 H new ATOM 531 N LYS A 35 9.867 -5.905 -2.882 1.00 0.00 N ATOM 532 CA LYS A 35 10.447 -7.273 -2.966 1.00 0.00 C ATOM 533 C LYS A 35 11.299 -7.385 -4.233 1.00 0.00 C ATOM 534 O LYS A 35 12.344 -8.005 -4.237 1.00 0.00 O ATOM 535 CB LYS A 35 9.314 -8.301 -3.020 1.00 0.00 C ATOM 536 CG LYS A 35 9.895 -9.711 -2.915 1.00 0.00 C ATOM 537 CD LYS A 35 8.768 -10.706 -2.633 1.00 0.00 C ATOM 538 CE LYS A 35 8.083 -11.086 -3.947 1.00 0.00 C ATOM 539 NZ LYS A 35 6.614 -10.859 -3.828 1.00 0.00 N ATOM 0 H LYS A 35 8.917 -5.813 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 35 11.069 -7.462 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.611 -8.125 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.757 -8.195 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.405 -9.976 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.638 -9.751 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.168 -11.597 -2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.044 -10.267 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.488 -10.491 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.282 -12.131 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.149 -11.118 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.233 -11.445 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.433 -9.856 -3.622 1.00 0.00 H new ATOM 553 N HIS A 36 10.859 -6.792 -5.309 1.00 0.00 N ATOM 554 CA HIS A 36 11.639 -6.866 -6.577 1.00 0.00 C ATOM 555 C HIS A 36 12.298 -5.513 -6.865 1.00 0.00 C ATOM 556 O HIS A 36 13.112 -5.388 -7.759 1.00 0.00 O ATOM 557 CB HIS A 36 10.698 -7.230 -7.728 1.00 0.00 C ATOM 558 CG HIS A 36 10.283 -8.670 -7.603 1.00 0.00 C ATOM 559 ND1 HIS A 36 11.098 -9.712 -8.016 1.00 0.00 N ATOM 560 CD2 HIS A 36 9.143 -9.258 -7.114 1.00 0.00 C ATOM 561 CE1 HIS A 36 10.442 -10.862 -7.771 1.00 0.00 C ATOM 562 NE2 HIS A 36 9.245 -10.641 -7.221 1.00 0.00 N ATOM 0 H HIS A 36 9.991 -6.258 -5.365 1.00 0.00 H new ATOM 0 HA HIS A 36 12.414 -7.626 -6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 36 9.820 -6.585 -7.711 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.196 -7.066 -8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.295 -8.727 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.836 -11.843 -7.992 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.554 -11.337 -6.940 1.00 0.00 H new ATOM 570 N TYR A 37 11.953 -4.497 -6.122 1.00 0.00 N ATOM 571 CA TYR A 37 12.556 -3.155 -6.362 1.00 0.00 C ATOM 572 C TYR A 37 13.522 -2.812 -5.220 1.00 0.00 C ATOM 573 O TYR A 37 13.101 -2.641 -4.093 1.00 0.00 O ATOM 574 CB TYR A 37 11.443 -2.103 -6.406 1.00 0.00 C ATOM 575 CG TYR A 37 11.397 -1.465 -7.770 1.00 0.00 C ATOM 576 CD1 TYR A 37 11.293 -2.266 -8.911 1.00 0.00 C ATOM 577 CD2 TYR A 37 11.448 -0.073 -7.893 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.243 -1.678 -10.178 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.399 0.518 -9.160 1.00 0.00 C ATOM 580 CZ TYR A 37 11.296 -0.285 -10.304 1.00 0.00 C ATOM 581 OH TYR A 37 11.245 0.298 -11.555 1.00 0.00 O ATOM 0 H TYR A 37 11.279 -4.538 -5.358 1.00 0.00 H new ATOM 0 HA TYR A 37 13.097 -3.166 -7.308 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.483 -2.566 -6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.618 -1.343 -5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.251 -3.341 -8.813 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.525 0.545 -7.011 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.164 -2.298 -11.059 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.441 1.593 -9.257 1.00 0.00 H new ATOM 0 HH TYR A 37 10.366 0.135 -11.956 1.00 0.00 H new ATOM 591 N PRO A 38 14.790 -2.712 -5.541 1.00 0.00 N ATOM 592 CA PRO A 38 15.829 -2.380 -4.551 1.00 0.00 C ATOM 593 C PRO A 38 15.811 -0.878 -4.254 1.00 0.00 C ATOM 594 O PRO A 38 16.187 -0.441 -3.184 1.00 0.00 O ATOM 595 CB PRO A 38 17.132 -2.786 -5.245 1.00 0.00 C ATOM 596 CG PRO A 38 16.833 -2.787 -6.763 1.00 0.00 C ATOM 597 CD PRO A 38 15.305 -2.921 -6.911 1.00 0.00 C ATOM 0 HA PRO A 38 15.691 -2.884 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.934 -2.087 -5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.459 -3.771 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.188 -1.868 -7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.344 -3.613 -7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.905 -2.181 -7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.026 -3.902 -7.296 1.00 0.00 H new ATOM 605 N TYR A 39 15.373 -0.087 -5.194 1.00 0.00 N ATOM 606 CA TYR A 39 15.324 1.383 -4.968 1.00 0.00 C ATOM 607 C TYR A 39 14.384 1.683 -3.800 1.00 0.00 C ATOM 608 O TYR A 39 14.605 2.594 -3.028 1.00 0.00 O ATOM 609 CB TYR A 39 14.804 2.074 -6.232 1.00 0.00 C ATOM 610 CG TYR A 39 14.691 3.561 -5.989 1.00 0.00 C ATOM 611 CD1 TYR A 39 13.519 4.094 -5.434 1.00 0.00 C ATOM 612 CD2 TYR A 39 15.757 4.408 -6.318 1.00 0.00 C ATOM 613 CE1 TYR A 39 13.415 5.472 -5.209 1.00 0.00 C ATOM 614 CE2 TYR A 39 15.652 5.786 -6.093 1.00 0.00 C ATOM 615 CZ TYR A 39 14.481 6.318 -5.539 1.00 0.00 C ATOM 616 OH TYR A 39 14.377 7.676 -5.317 1.00 0.00 O ATOM 0 H TYR A 39 15.047 -0.396 -6.110 1.00 0.00 H new ATOM 0 HA TYR A 39 16.323 1.752 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.478 1.882 -7.067 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.832 1.666 -6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.697 3.442 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.660 3.998 -6.745 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.512 5.883 -4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.474 6.439 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 39 15.266 8.085 -5.370 1.00 0.00 H new ATOM 626 N TYR A 40 13.335 0.918 -3.665 1.00 0.00 N ATOM 627 CA TYR A 40 12.376 1.152 -2.548 1.00 0.00 C ATOM 628 C TYR A 40 12.798 0.333 -1.328 1.00 0.00 C ATOM 629 O TYR A 40 12.031 0.134 -0.406 1.00 0.00 O ATOM 630 CB TYR A 40 10.974 0.724 -2.986 1.00 0.00 C ATOM 631 CG TYR A 40 10.201 1.935 -3.445 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.049 3.030 -2.588 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.635 1.962 -4.725 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.330 4.154 -3.011 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.917 3.086 -5.148 1.00 0.00 C ATOM 636 CZ TYR A 40 8.764 4.183 -4.291 1.00 0.00 C ATOM 637 OH TYR A 40 8.054 5.290 -4.707 1.00 0.00 O ATOM 0 H TYR A 40 13.100 0.140 -4.281 1.00 0.00 H new ATOM 0 HA TYR A 40 12.373 2.211 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.040 -0.006 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.455 0.239 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.486 3.008 -1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.752 1.116 -5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.212 4.999 -2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.481 3.108 -6.136 1.00 0.00 H new ATOM 0 HH TYR A 40 7.798 5.180 -5.647 1.00 0.00 H new ATOM 647 N ARG A 41 14.012 -0.147 -1.312 1.00 0.00 N ATOM 648 CA ARG A 41 14.478 -0.952 -0.149 1.00 0.00 C ATOM 649 C ARG A 41 15.424 -0.111 0.709 1.00 0.00 C ATOM 650 O ARG A 41 15.226 0.046 1.897 1.00 0.00 O ATOM 651 CB ARG A 41 15.213 -2.197 -0.652 1.00 0.00 C ATOM 652 CG ARG A 41 14.933 -3.371 0.288 1.00 0.00 C ATOM 653 CD ARG A 41 16.093 -3.528 1.271 1.00 0.00 C ATOM 654 NE ARG A 41 15.592 -3.349 2.663 1.00 0.00 N ATOM 655 CZ ARG A 41 14.804 -4.245 3.192 1.00 0.00 C ATOM 656 NH1 ARG A 41 15.235 -5.462 3.387 1.00 0.00 N ATOM 657 NH2 ARG A 41 13.583 -3.925 3.526 1.00 0.00 N ATOM 0 H ARG A 41 14.700 -0.016 -2.054 1.00 0.00 H new ATOM 0 HA ARG A 41 13.619 -1.255 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.887 -2.441 -1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.285 -2.004 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.003 -3.202 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.804 -4.288 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.547 -4.513 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.869 -2.793 1.055 1.00 0.00 H new ATOM 0 HE ARG A 41 15.865 -2.527 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.188 -5.713 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.618 -6.161 3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.245 -2.975 3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.967 -4.625 3.939 1.00 0.00 H new ATOM 671 N THR A 42 16.449 0.436 0.115 1.00 0.00 N ATOM 672 CA THR A 42 17.404 1.270 0.897 1.00 0.00 C ATOM 673 C THR A 42 17.048 2.747 0.718 1.00 0.00 C ATOM 674 O THR A 42 17.913 3.597 0.618 1.00 0.00 O ATOM 675 CB THR A 42 18.829 1.022 0.392 1.00 0.00 C ATOM 676 OG1 THR A 42 19.735 1.849 1.109 1.00 0.00 O ATOM 677 CG2 THR A 42 18.907 1.348 -1.100 1.00 0.00 C ATOM 0 H THR A 42 16.666 0.341 -0.877 1.00 0.00 H new ATOM 0 HA THR A 42 17.343 1.005 1.953 1.00 0.00 H new ATOM 0 HB THR A 42 19.093 -0.024 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 42 19.483 2.789 0.992 1.00 0.00 H new ATOM 0 HG21 THR A 42 19.921 1.171 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 42 18.212 0.712 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 42 18.643 2.394 -1.258 1.00 0.00 H new ATOM 685 N ALA A 43 15.783 3.060 0.675 1.00 0.00 N ATOM 686 CA ALA A 43 15.371 4.481 0.499 1.00 0.00 C ATOM 687 C ALA A 43 13.856 4.601 0.686 1.00 0.00 C ATOM 688 O ALA A 43 13.131 4.931 -0.232 1.00 0.00 O ATOM 689 CB ALA A 43 15.750 4.949 -0.907 1.00 0.00 C ATOM 0 H ALA A 43 15.016 2.393 0.754 1.00 0.00 H new ATOM 0 HA ALA A 43 15.878 5.101 1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.449 5.989 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.828 4.864 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.243 4.329 -1.646 1.00 0.00 H new ATOM 695 N ASP A 44 13.373 4.335 1.868 1.00 0.00 N ATOM 696 CA ASP A 44 11.907 4.432 2.117 1.00 0.00 C ATOM 697 C ASP A 44 11.431 5.862 1.841 1.00 0.00 C ATOM 698 O ASP A 44 11.554 6.737 2.674 1.00 0.00 O ATOM 699 CB ASP A 44 11.618 4.073 3.577 1.00 0.00 C ATOM 700 CG ASP A 44 12.644 4.760 4.481 1.00 0.00 C ATOM 701 OD1 ASP A 44 13.726 4.219 4.631 1.00 0.00 O ATOM 702 OD2 ASP A 44 12.328 5.814 5.007 1.00 0.00 O ATOM 0 H ASP A 44 13.931 4.054 2.674 1.00 0.00 H new ATOM 0 HA ASP A 44 11.380 3.743 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.610 4.387 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.662 2.992 3.713 1.00 0.00 H new ATOM 707 N LYS A 45 10.887 6.108 0.678 1.00 0.00 N ATOM 708 CA LYS A 45 10.404 7.481 0.357 1.00 0.00 C ATOM 709 C LYS A 45 9.065 7.726 1.053 1.00 0.00 C ATOM 710 O LYS A 45 8.609 6.923 1.842 1.00 0.00 O ATOM 711 CB LYS A 45 10.218 7.615 -1.156 1.00 0.00 C ATOM 712 CG LYS A 45 11.583 7.626 -1.844 1.00 0.00 C ATOM 713 CD LYS A 45 12.285 8.958 -1.568 1.00 0.00 C ATOM 714 CE LYS A 45 13.788 8.721 -1.416 1.00 0.00 C ATOM 715 NZ LYS A 45 14.531 9.652 -2.310 1.00 0.00 N ATOM 0 H LYS A 45 10.757 5.418 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 45 11.135 8.212 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.617 6.788 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.677 8.533 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.192 6.799 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.462 7.483 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.097 9.656 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.884 9.411 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.089 8.877 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.031 7.688 -1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.553 9.491 -2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.252 9.482 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.308 10.634 -2.051 1.00 0.00 H new ATOM 729 N GLY A 46 8.429 8.829 0.765 1.00 0.00 N ATOM 730 CA GLY A 46 7.117 9.122 1.408 1.00 0.00 C ATOM 731 C GLY A 46 5.991 8.562 0.536 1.00 0.00 C ATOM 732 O GLY A 46 4.958 9.181 0.365 1.00 0.00 O ATOM 0 H GLY A 46 8.761 9.539 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.079 8.677 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.993 10.197 1.535 1.00 0.00 H new ATOM 736 N TRP A 47 6.183 7.398 -0.023 1.00 0.00 N ATOM 737 CA TRP A 47 5.128 6.802 -0.889 1.00 0.00 C ATOM 738 C TRP A 47 4.311 5.783 -0.095 1.00 0.00 C ATOM 739 O TRP A 47 3.604 4.969 -0.657 1.00 0.00 O ATOM 740 CB TRP A 47 5.777 6.111 -2.092 1.00 0.00 C ATOM 741 CG TRP A 47 6.394 4.811 -1.675 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.459 4.681 -0.848 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.010 3.458 -2.058 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.755 3.338 -0.707 1.00 0.00 N ATOM 745 CE2 TRP A 47 6.892 2.546 -1.433 1.00 0.00 C ATOM 746 CE3 TRP A 47 4.995 2.937 -2.882 1.00 0.00 C ATOM 747 CZ2 TRP A 47 6.773 1.169 -1.620 1.00 0.00 C ATOM 748 CZ3 TRP A 47 4.873 1.553 -3.072 1.00 0.00 C ATOM 749 CH2 TRP A 47 5.761 0.672 -2.445 1.00 0.00 C ATOM 0 H TRP A 47 7.026 6.834 0.083 1.00 0.00 H new ATOM 0 HA TRP A 47 4.467 7.596 -1.238 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.030 5.935 -2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.538 6.760 -2.526 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.990 5.494 -0.376 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.519 2.977 -0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.305 3.608 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.458 0.492 -1.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.089 1.165 -3.706 1.00 0.00 H new ATOM 0 HH2 TRP A 47 5.664 -0.393 -2.599 1.00 0.00 H new ATOM 760 N GLN A 48 4.389 5.819 1.206 1.00 0.00 N ATOM 761 CA GLN A 48 3.599 4.849 2.013 1.00 0.00 C ATOM 762 C GLN A 48 2.162 5.359 2.118 1.00 0.00 C ATOM 763 O GLN A 48 1.227 4.710 1.693 1.00 0.00 O ATOM 764 CB GLN A 48 4.196 4.711 3.421 1.00 0.00 C ATOM 765 CG GLN A 48 5.677 5.101 3.410 1.00 0.00 C ATOM 766 CD GLN A 48 6.386 4.397 2.253 1.00 0.00 C ATOM 767 OE1 GLN A 48 7.355 4.903 1.722 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.942 3.243 1.836 1.00 0.00 N ATOM 0 H GLN A 48 4.961 6.472 1.742 1.00 0.00 H new ATOM 0 HA GLN A 48 3.622 3.872 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.651 5.347 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.086 3.685 3.771 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.778 6.181 3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.143 4.826 4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.129 2.818 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.408 2.766 1.064 1.00 0.00 H new ATOM 777 N ASN A 49 1.982 6.528 2.670 1.00 0.00 N ATOM 778 CA ASN A 49 0.610 7.095 2.791 1.00 0.00 C ATOM 779 C ASN A 49 0.132 7.536 1.407 1.00 0.00 C ATOM 780 O ASN A 49 -1.050 7.569 1.126 1.00 0.00 O ATOM 781 CB ASN A 49 0.641 8.300 3.734 1.00 0.00 C ATOM 782 CG ASN A 49 1.146 7.855 5.108 1.00 0.00 C ATOM 783 OD1 ASN A 49 2.275 7.428 5.243 1.00 0.00 O ATOM 784 ND2 ASN A 49 0.351 7.934 6.140 1.00 0.00 N ATOM 0 H ASN A 49 2.728 7.115 3.043 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.070 6.343 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.290 9.076 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.356 8.732 3.823 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.678 7.637 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.597 8.293 6.027 1.00 0.00 H new ATOM 791 N SER A 50 1.047 7.871 0.539 1.00 0.00 N ATOM 792 CA SER A 50 0.659 8.308 -0.830 1.00 0.00 C ATOM 793 C SER A 50 -0.129 7.193 -1.517 1.00 0.00 C ATOM 794 O SER A 50 -1.248 7.386 -1.947 1.00 0.00 O ATOM 795 CB SER A 50 1.920 8.614 -1.639 1.00 0.00 C ATOM 796 OG SER A 50 2.569 9.750 -1.082 1.00 0.00 O ATOM 0 H SER A 50 2.051 7.860 0.721 1.00 0.00 H new ATOM 0 HA SER A 50 0.040 9.203 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.591 7.755 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.661 8.803 -2.681 1.00 0.00 H new ATOM 0 HG SER A 50 3.384 9.466 -0.617 1.00 0.00 H new ATOM 802 N ILE A 51 0.445 6.023 -1.619 1.00 0.00 N ATOM 803 CA ILE A 51 -0.273 4.892 -2.271 1.00 0.00 C ATOM 804 C ILE A 51 -1.720 4.875 -1.773 1.00 0.00 C ATOM 805 O ILE A 51 -2.643 5.113 -2.526 1.00 0.00 O ATOM 806 CB ILE A 51 0.444 3.570 -1.919 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.480 3.205 -3.000 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.566 2.420 -1.816 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.961 4.445 -3.759 1.00 0.00 C ATOM 0 H ILE A 51 1.381 5.803 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.274 5.010 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 51 0.944 3.715 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.332 2.708 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.041 2.496 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.042 1.497 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.295 2.645 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.079 2.300 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.690 4.150 -4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.112 4.927 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.423 5.143 -3.061 1.00 0.00 H new ATOM 821 N ARG A 52 -1.925 4.603 -0.513 1.00 0.00 N ATOM 822 CA ARG A 52 -3.316 4.574 0.018 1.00 0.00 C ATOM 823 C ARG A 52 -4.046 5.840 -0.429 1.00 0.00 C ATOM 824 O ARG A 52 -5.242 5.836 -0.640 1.00 0.00 O ATOM 825 CB ARG A 52 -3.283 4.500 1.549 1.00 0.00 C ATOM 826 CG ARG A 52 -2.617 5.755 2.116 1.00 0.00 C ATOM 827 CD ARG A 52 -3.090 5.979 3.553 1.00 0.00 C ATOM 828 NE ARG A 52 -4.102 7.073 3.576 1.00 0.00 N ATOM 829 CZ ARG A 52 -5.200 6.961 2.880 1.00 0.00 C ATOM 830 NH1 ARG A 52 -6.194 6.250 3.340 1.00 0.00 N ATOM 831 NH2 ARG A 52 -5.304 7.555 1.722 1.00 0.00 N ATOM 0 H ARG A 52 -1.193 4.401 0.168 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.840 3.698 -0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.296 4.408 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.737 3.612 1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.533 5.647 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.865 6.620 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.521 5.061 3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.244 6.238 4.190 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.936 7.909 4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.112 5.783 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.053 6.162 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.526 8.107 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.163 7.467 1.179 1.00 0.00 H new ATOM 845 N HIS A 53 -3.333 6.922 -0.594 1.00 0.00 N ATOM 846 CA HIS A 53 -3.988 8.179 -1.051 1.00 0.00 C ATOM 847 C HIS A 53 -4.298 8.055 -2.542 1.00 0.00 C ATOM 848 O HIS A 53 -5.350 8.448 -3.005 1.00 0.00 O ATOM 849 CB HIS A 53 -3.050 9.364 -0.821 1.00 0.00 C ATOM 850 CG HIS A 53 -3.861 10.623 -0.696 1.00 0.00 C ATOM 851 ND1 HIS A 53 -3.668 11.529 0.334 1.00 0.00 N ATOM 852 CD2 HIS A 53 -4.873 11.141 -1.467 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.544 12.536 0.158 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.302 12.349 -0.926 1.00 0.00 N ATOM 0 H HIS A 53 -2.328 6.989 -0.432 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.908 8.341 -0.490 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.461 9.206 0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.347 9.452 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.275 10.681 -2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.624 13.391 0.813 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.037 12.960 -1.281 1.00 0.00 H new ATOM 862 N ASN A 54 -3.387 7.501 -3.295 1.00 0.00 N ATOM 863 CA ASN A 54 -3.621 7.337 -4.756 1.00 0.00 C ATOM 864 C ASN A 54 -4.801 6.394 -4.970 1.00 0.00 C ATOM 865 O ASN A 54 -5.501 6.471 -5.960 1.00 0.00 O ATOM 866 CB ASN A 54 -2.373 6.736 -5.409 1.00 0.00 C ATOM 867 CG ASN A 54 -1.344 7.838 -5.658 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.574 8.736 -6.445 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.209 7.810 -5.014 1.00 0.00 N ATOM 0 H ASN A 54 -2.488 7.154 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.835 8.308 -5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.948 5.966 -4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.639 6.253 -6.349 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.485 8.541 -5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.016 7.057 -4.354 1.00 0.00 H new ATOM 876 N LEU A 55 -5.020 5.493 -4.054 1.00 0.00 N ATOM 877 CA LEU A 55 -6.145 4.536 -4.209 1.00 0.00 C ATOM 878 C LEU A 55 -7.483 5.278 -4.136 1.00 0.00 C ATOM 879 O LEU A 55 -8.507 4.768 -4.545 1.00 0.00 O ATOM 880 CB LEU A 55 -6.078 3.496 -3.089 1.00 0.00 C ATOM 881 CG LEU A 55 -4.637 3.021 -2.883 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.658 1.652 -2.206 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.920 2.908 -4.234 1.00 0.00 C ATOM 0 H LEU A 55 -4.467 5.380 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.066 4.044 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.462 3.925 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.715 2.647 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.106 3.740 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.636 1.305 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.161 1.730 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.193 0.942 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.896 2.569 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.445 2.192 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.908 3.882 -4.722 1.00 0.00 H new ATOM 895 N SER A 56 -7.486 6.474 -3.616 1.00 0.00 N ATOM 896 CA SER A 56 -8.763 7.237 -3.514 1.00 0.00 C ATOM 897 C SER A 56 -9.084 7.898 -4.858 1.00 0.00 C ATOM 898 O SER A 56 -10.170 7.758 -5.384 1.00 0.00 O ATOM 899 CB SER A 56 -8.624 8.316 -2.442 1.00 0.00 C ATOM 900 OG SER A 56 -9.917 8.696 -1.989 1.00 0.00 O ATOM 0 H SER A 56 -6.662 6.956 -3.258 1.00 0.00 H new ATOM 0 HA SER A 56 -9.569 6.553 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.029 7.943 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.099 9.181 -2.846 1.00 0.00 H new ATOM 0 HG SER A 56 -9.832 9.387 -1.300 1.00 0.00 H new ATOM 906 N LEU A 57 -8.151 8.625 -5.410 1.00 0.00 N ATOM 907 CA LEU A 57 -8.407 9.303 -6.712 1.00 0.00 C ATOM 908 C LEU A 57 -8.511 8.266 -7.833 1.00 0.00 C ATOM 909 O LEU A 57 -9.450 8.266 -8.605 1.00 0.00 O ATOM 910 CB LEU A 57 -7.257 10.266 -7.016 1.00 0.00 C ATOM 911 CG LEU A 57 -7.009 11.165 -5.803 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.771 10.677 -5.050 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.783 12.604 -6.275 1.00 0.00 C ATOM 0 H LEU A 57 -7.223 8.779 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.345 9.855 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.354 9.706 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.498 10.873 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.874 11.129 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.595 11.318 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.929 9.652 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.905 10.713 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.606 13.246 -5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.917 12.638 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.664 12.953 -6.813 1.00 0.00 H new ATOM 925 N ASN A 58 -7.552 7.389 -7.937 1.00 0.00 N ATOM 926 CA ASN A 58 -7.596 6.362 -9.018 1.00 0.00 C ATOM 927 C ASN A 58 -9.002 5.763 -9.107 1.00 0.00 C ATOM 928 O ASN A 58 -9.638 5.488 -8.110 1.00 0.00 O ATOM 929 CB ASN A 58 -6.582 5.263 -8.714 1.00 0.00 C ATOM 930 CG ASN A 58 -5.187 5.740 -9.120 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.821 5.669 -10.275 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.389 6.231 -8.213 1.00 0.00 N ATOM 0 H ASN A 58 -6.740 7.338 -7.322 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.349 6.828 -9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.601 5.018 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.840 4.353 -9.256 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.458 6.555 -8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.696 6.291 -7.242 1.00 0.00 H new ATOM 939 N ARG A 59 -9.494 5.575 -10.302 1.00 0.00 N ATOM 940 CA ARG A 59 -10.865 5.014 -10.474 1.00 0.00 C ATOM 941 C ARG A 59 -10.818 3.483 -10.581 1.00 0.00 C ATOM 942 O ARG A 59 -11.770 2.805 -10.249 1.00 0.00 O ATOM 943 CB ARG A 59 -11.481 5.595 -11.749 1.00 0.00 C ATOM 944 CG ARG A 59 -12.831 4.930 -12.024 1.00 0.00 C ATOM 945 CD ARG A 59 -13.959 5.911 -11.701 1.00 0.00 C ATOM 946 NE ARG A 59 -14.465 6.518 -12.964 1.00 0.00 N ATOM 947 CZ ARG A 59 -15.735 6.457 -13.253 1.00 0.00 C ATOM 948 NH1 ARG A 59 -16.406 5.360 -13.026 1.00 0.00 N ATOM 949 NH2 ARG A 59 -16.337 7.492 -13.772 1.00 0.00 N ATOM 0 H ARG A 59 -9.003 5.787 -11.170 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.468 5.280 -9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.611 6.672 -11.642 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.809 5.437 -12.593 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.891 4.622 -13.068 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.934 4.029 -11.419 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.768 5.395 -11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.597 6.690 -11.030 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.818 6.981 -13.602 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.937 4.549 -12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.399 5.314 -13.253 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.814 8.349 -13.952 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.330 7.444 -13.998 1.00 0.00 H new ATOM 963 N TYR A 60 -9.735 2.924 -11.053 1.00 0.00 N ATOM 964 CA TYR A 60 -9.689 1.434 -11.188 1.00 0.00 C ATOM 965 C TYR A 60 -9.432 0.776 -9.833 1.00 0.00 C ATOM 966 O TYR A 60 -9.730 -0.383 -9.638 1.00 0.00 O ATOM 967 CB TYR A 60 -8.584 0.998 -12.165 1.00 0.00 C ATOM 968 CG TYR A 60 -7.440 1.991 -12.189 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.791 2.381 -11.006 1.00 0.00 C ATOM 970 CD2 TYR A 60 -7.026 2.522 -13.415 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.736 3.303 -11.061 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.973 3.440 -13.467 1.00 0.00 C ATOM 973 CZ TYR A 60 -5.328 3.832 -12.291 1.00 0.00 C ATOM 974 OH TYR A 60 -4.288 4.737 -12.343 1.00 0.00 O ATOM 0 H TYR A 60 -8.894 3.421 -11.347 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.657 1.116 -11.575 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -8.209 0.016 -11.877 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.001 0.898 -13.167 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.104 1.972 -10.057 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.522 2.221 -14.326 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.237 3.606 -10.152 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.658 3.846 -14.417 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.340 5.340 -11.572 1.00 0.00 H new ATOM 984 N PHE A 61 -8.876 1.485 -8.898 1.00 0.00 N ATOM 985 CA PHE A 61 -8.603 0.852 -7.581 1.00 0.00 C ATOM 986 C PHE A 61 -9.829 0.947 -6.676 1.00 0.00 C ATOM 987 O PHE A 61 -10.400 2.002 -6.485 1.00 0.00 O ATOM 988 CB PHE A 61 -7.406 1.539 -6.930 1.00 0.00 C ATOM 989 CG PHE A 61 -6.166 1.144 -7.689 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.752 -0.191 -7.703 1.00 0.00 C ATOM 991 CD2 PHE A 61 -5.440 2.108 -8.394 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.611 -0.559 -8.419 1.00 0.00 C ATOM 993 CE2 PHE A 61 -4.300 1.739 -9.111 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.888 0.404 -9.122 1.00 0.00 C ATOM 0 H PHE A 61 -8.601 2.463 -8.984 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.376 -0.203 -7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.533 2.621 -6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.321 1.244 -5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.314 -0.937 -7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.761 3.139 -8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.288 -1.590 -8.428 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.738 2.484 -9.656 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.007 0.117 -9.677 1.00 0.00 H new ATOM 1004 N ILE A 62 -10.227 -0.160 -6.113 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.408 -0.168 -5.207 1.00 0.00 C ATOM 1006 C ILE A 62 -10.962 -0.666 -3.829 1.00 0.00 C ATOM 1007 O ILE A 62 -9.881 -1.198 -3.678 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.480 -1.107 -5.777 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.040 -2.562 -5.593 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.664 -0.832 -7.272 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.208 -3.494 -5.926 1.00 0.00 C ATOM 0 H ILE A 62 -9.780 -1.067 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.824 0.836 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.419 -0.935 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.190 -2.781 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.710 -2.727 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.426 -1.500 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.976 0.202 -7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.721 -1.002 -7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.895 -4.530 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.045 -3.281 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.517 -3.336 -6.959 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.778 -0.506 -2.823 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.374 -0.983 -1.470 1.00 0.00 C ATOM 1025 C LYS A 63 -12.206 -2.209 -1.089 1.00 0.00 C ATOM 1026 O LYS A 63 -13.421 -2.171 -1.077 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.590 0.126 -0.439 1.00 0.00 C ATOM 1028 CG LYS A 63 -13.022 0.653 -0.540 1.00 0.00 C ATOM 1029 CD LYS A 63 -13.223 1.776 0.479 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.748 1.309 1.857 1.00 0.00 C ATOM 1031 NZ LYS A 63 -11.347 1.765 2.084 1.00 0.00 N ATOM 0 H LYS A 63 -12.698 -0.070 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.318 -1.252 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.403 -0.256 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.881 0.937 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.215 1.022 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.732 -0.153 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.668 2.662 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.275 2.058 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.401 1.708 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.803 0.222 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.767 0.962 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.958 2.145 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.337 2.507 2.812 1.00 0.00 H new ATOM 1045 N VAL A 64 -11.557 -3.295 -0.779 1.00 0.00 N ATOM 1046 CA VAL A 64 -12.297 -4.530 -0.399 1.00 0.00 C ATOM 1047 C VAL A 64 -13.061 -4.352 0.927 1.00 0.00 C ATOM 1048 O VAL A 64 -14.190 -4.784 1.041 1.00 0.00 O ATOM 1049 CB VAL A 64 -11.317 -5.701 -0.279 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -12.027 -6.899 0.348 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -10.809 -6.084 -1.669 1.00 0.00 C ATOM 0 H VAL A 64 -10.541 -3.381 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.029 -4.736 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.476 -5.407 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.329 -7.732 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.391 -6.628 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.868 -7.193 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.111 -6.917 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.651 -6.378 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.302 -5.231 -2.119 1.00 0.00 H new ATOM 1061 N PRO A 65 -12.425 -3.741 1.892 1.00 0.00 N ATOM 1062 CA PRO A 65 -13.024 -3.517 3.219 1.00 0.00 C ATOM 1063 C PRO A 65 -13.995 -2.332 3.185 1.00 0.00 C ATOM 1064 O PRO A 65 -14.449 -1.917 2.138 1.00 0.00 O ATOM 1065 CB PRO A 65 -11.816 -3.209 4.108 1.00 0.00 C ATOM 1066 CG PRO A 65 -10.692 -2.722 3.163 1.00 0.00 C ATOM 1067 CD PRO A 65 -11.061 -3.214 1.751 1.00 0.00 C ATOM 0 HA PRO A 65 -13.606 -4.368 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.061 -2.445 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.503 -4.096 4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.610 -1.635 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.726 -3.121 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.022 -2.402 1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.371 -3.984 1.406 1.00 0.00 H new ATOM 1075 N ARG A 66 -14.316 -1.789 4.328 1.00 0.00 N ATOM 1076 CA ARG A 66 -15.258 -0.635 4.368 1.00 0.00 C ATOM 1077 C ARG A 66 -14.474 0.651 4.636 1.00 0.00 C ATOM 1078 O ARG A 66 -13.266 0.689 4.521 1.00 0.00 O ATOM 1079 CB ARG A 66 -16.277 -0.850 5.490 1.00 0.00 C ATOM 1080 CG ARG A 66 -17.626 -1.252 4.892 1.00 0.00 C ATOM 1081 CD ARG A 66 -18.358 -2.178 5.865 1.00 0.00 C ATOM 1082 NE ARG A 66 -19.763 -2.373 5.408 1.00 0.00 N ATOM 1083 CZ ARG A 66 -20.750 -2.212 6.247 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -20.768 -1.175 7.039 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -21.718 -3.087 6.294 1.00 0.00 N ATOM 0 H ARG A 66 -13.966 -2.095 5.236 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.777 -0.555 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.925 -1.625 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.386 0.063 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.228 -0.365 4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.477 -1.755 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.847 -3.139 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.347 -1.751 6.868 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.953 -2.632 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.012 -0.492 7.002 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.539 -1.048 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.703 -3.897 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.489 -2.960 6.950 1.00 0.00 H new ATOM 1099 N SER A 67 -15.155 1.704 4.997 1.00 0.00 N ATOM 1100 CA SER A 67 -14.449 2.985 5.278 1.00 0.00 C ATOM 1101 C SER A 67 -14.083 3.046 6.762 1.00 0.00 C ATOM 1102 O SER A 67 -13.120 3.678 7.149 1.00 0.00 O ATOM 1103 CB SER A 67 -15.367 4.158 4.928 1.00 0.00 C ATOM 1104 OG SER A 67 -16.703 3.833 5.292 1.00 0.00 O ATOM 0 H SER A 67 -16.168 1.732 5.109 1.00 0.00 H new ATOM 0 HA SER A 67 -13.541 3.043 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.043 5.057 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.311 4.373 3.861 1.00 0.00 H new ATOM 0 HG SER A 67 -17.294 4.583 5.071 1.00 0.00 H new ATOM 1110 N GLN A 68 -14.847 2.393 7.597 1.00 0.00 N ATOM 1111 CA GLN A 68 -14.545 2.412 9.057 1.00 0.00 C ATOM 1112 C GLN A 68 -14.536 0.979 9.595 1.00 0.00 C ATOM 1113 O GLN A 68 -13.551 0.515 10.133 1.00 0.00 O ATOM 1114 CB GLN A 68 -15.615 3.224 9.790 1.00 0.00 C ATOM 1115 CG GLN A 68 -14.971 4.452 10.435 1.00 0.00 C ATOM 1116 CD GLN A 68 -15.431 5.714 9.702 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -15.735 5.670 8.527 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -15.496 6.844 10.351 1.00 0.00 N ATOM 0 H GLN A 68 -15.667 1.848 7.331 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.568 2.868 9.219 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.394 3.533 9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.095 2.609 10.552 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.247 4.509 11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.885 4.370 10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.241 6.881 11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.802 7.691 9.872 1.00 0.00 H new ATOM 1127 N GLU A 69 -15.626 0.275 9.457 1.00 0.00 N ATOM 1128 CA GLU A 69 -15.678 -1.126 9.963 1.00 0.00 C ATOM 1129 C GLU A 69 -14.866 -2.035 9.039 1.00 0.00 C ATOM 1130 O GLU A 69 -14.474 -1.646 7.957 1.00 0.00 O ATOM 1131 CB GLU A 69 -17.131 -1.600 10.002 1.00 0.00 C ATOM 1132 CG GLU A 69 -17.270 -2.739 11.014 1.00 0.00 C ATOM 1133 CD GLU A 69 -17.740 -4.006 10.298 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -17.664 -4.039 9.080 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -18.171 -4.922 10.979 1.00 0.00 O ATOM 0 H GLU A 69 -16.483 0.609 9.016 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.257 -1.165 10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.787 -0.774 10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.441 -1.938 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.315 -2.920 11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.982 -2.463 11.792 1.00 0.00 H new ATOM 1142 N GLU A 70 -14.608 -3.243 9.459 1.00 0.00 N ATOM 1143 CA GLU A 70 -13.820 -4.179 8.609 1.00 0.00 C ATOM 1144 C GLU A 70 -13.996 -5.612 9.131 1.00 0.00 C ATOM 1145 O GLU A 70 -13.443 -5.968 10.151 1.00 0.00 O ATOM 1146 CB GLU A 70 -12.333 -3.795 8.655 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.967 -3.219 10.029 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.653 -4.359 10.999 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.661 -5.037 10.783 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -12.408 -4.534 11.941 1.00 0.00 O ATOM 0 H GLU A 70 -14.910 -3.623 10.356 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.175 -4.119 7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.719 -4.671 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.117 -3.062 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.105 -2.558 9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.791 -2.618 10.413 1.00 0.00 H new ATOM 1157 N PRO A 71 -14.768 -6.396 8.416 1.00 0.00 N ATOM 1158 CA PRO A 71 -15.036 -7.795 8.791 1.00 0.00 C ATOM 1159 C PRO A 71 -13.844 -8.688 8.433 1.00 0.00 C ATOM 1160 O PRO A 71 -13.836 -9.871 8.711 1.00 0.00 O ATOM 1161 CB PRO A 71 -16.266 -8.163 7.957 1.00 0.00 C ATOM 1162 CG PRO A 71 -16.292 -7.180 6.762 1.00 0.00 C ATOM 1163 CD PRO A 71 -15.441 -5.965 7.173 1.00 0.00 C ATOM 0 HA PRO A 71 -15.198 -7.926 9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.206 -9.195 7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -17.177 -8.078 8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.889 -7.650 5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -17.313 -6.877 6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.719 -5.705 6.399 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.060 -5.084 7.341 1.00 0.00 H new ATOM 1171 N GLY A 72 -12.834 -8.131 7.822 1.00 0.00 N ATOM 1172 CA GLY A 72 -11.646 -8.952 7.453 1.00 0.00 C ATOM 1173 C GLY A 72 -10.543 -8.749 8.496 1.00 0.00 C ATOM 1174 O GLY A 72 -10.779 -8.225 9.566 1.00 0.00 O ATOM 0 H GLY A 72 -12.780 -7.146 7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.921 -10.005 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.285 -8.666 6.465 1.00 0.00 H new ATOM 1178 N LYS A 73 -9.340 -9.158 8.191 1.00 0.00 N ATOM 1179 CA LYS A 73 -8.227 -8.984 9.166 1.00 0.00 C ATOM 1180 C LYS A 73 -7.990 -7.490 9.397 1.00 0.00 C ATOM 1181 O LYS A 73 -7.687 -7.060 10.493 1.00 0.00 O ATOM 1182 CB LYS A 73 -6.953 -9.625 8.609 1.00 0.00 C ATOM 1183 CG LYS A 73 -7.111 -11.147 8.601 1.00 0.00 C ATOM 1184 CD LYS A 73 -6.386 -11.732 7.387 1.00 0.00 C ATOM 1185 CE LYS A 73 -5.033 -12.298 7.824 1.00 0.00 C ATOM 1186 NZ LYS A 73 -4.415 -13.048 6.693 1.00 0.00 N ATOM 0 H LYS A 73 -9.082 -9.604 7.311 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.488 -9.464 10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.762 -9.263 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.094 -9.341 9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.703 -11.570 9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.168 -11.413 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.991 -12.517 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.242 -10.961 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.374 -11.489 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.163 -12.957 8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.496 -13.432 6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.041 -13.829 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.276 -12.407 5.886 1.00 0.00 H new ATOM 1200 N GLY A 74 -8.129 -6.696 8.372 1.00 0.00 N ATOM 1201 CA GLY A 74 -7.917 -5.230 8.525 1.00 0.00 C ATOM 1202 C GLY A 74 -8.312 -4.527 7.226 1.00 0.00 C ATOM 1203 O GLY A 74 -9.460 -4.195 7.013 1.00 0.00 O ATOM 0 H GLY A 74 -8.381 -7.001 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.513 -4.849 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.873 -5.024 8.761 1.00 0.00 H new ATOM 1207 N SER A 75 -7.370 -4.305 6.353 1.00 0.00 N ATOM 1208 CA SER A 75 -7.692 -3.630 5.064 1.00 0.00 C ATOM 1209 C SER A 75 -7.232 -4.513 3.902 1.00 0.00 C ATOM 1210 O SER A 75 -6.579 -5.518 4.096 1.00 0.00 O ATOM 1211 CB SER A 75 -6.971 -2.282 4.998 1.00 0.00 C ATOM 1212 OG SER A 75 -6.944 -1.699 6.295 1.00 0.00 O ATOM 0 H SER A 75 -6.390 -4.562 6.476 1.00 0.00 H new ATOM 0 HA SER A 75 -8.768 -3.468 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.955 -2.418 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.480 -1.618 4.299 1.00 0.00 H new ATOM 0 HG SER A 75 -6.481 -0.836 6.256 1.00 0.00 H new ATOM 1218 N PHE A 76 -7.567 -4.148 2.694 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.144 -4.972 1.525 1.00 0.00 C ATOM 1220 C PHE A 76 -7.599 -4.293 0.231 1.00 0.00 C ATOM 1221 O PHE A 76 -8.707 -4.487 -0.227 1.00 0.00 O ATOM 1222 CB PHE A 76 -7.777 -6.360 1.621 1.00 0.00 C ATOM 1223 CG PHE A 76 -6.807 -7.390 1.096 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -5.956 -7.072 0.031 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.758 -8.663 1.677 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.054 -8.027 -0.453 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.856 -9.618 1.192 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.003 -9.300 0.128 1.00 0.00 C ATOM 0 H PHE A 76 -8.114 -3.318 2.466 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.058 -5.068 1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.036 -6.583 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.703 -6.390 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.995 -6.090 -0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.415 -8.908 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.397 -7.782 -1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.818 -10.600 1.639 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.306 -10.036 -0.244 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.758 -3.489 -0.355 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.145 -2.786 -1.608 1.00 0.00 C ATOM 1240 C TRP A 77 -7.022 -3.718 -2.817 1.00 0.00 C ATOM 1241 O TRP A 77 -6.396 -4.758 -2.762 1.00 0.00 O ATOM 1242 CB TRP A 77 -6.199 -1.611 -1.822 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.803 -0.359 -1.285 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -6.705 0.064 -0.006 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.580 0.644 -1.991 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -7.363 1.272 0.116 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -7.919 1.671 -1.081 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.018 0.763 -3.323 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -8.661 2.779 -1.478 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.766 1.879 -3.725 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -9.084 2.884 -2.804 1.00 0.00 C ATOM 0 H TRP A 77 -5.816 -3.288 -0.019 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.179 -2.453 -1.514 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.248 -1.806 -1.327 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.987 -1.494 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -6.195 -0.457 0.791 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -7.429 1.803 0.984 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.777 -0.009 -4.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.908 3.552 -0.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -9.098 1.963 -4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.658 3.743 -3.120 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.601 -3.322 -3.919 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.517 -4.134 -5.166 1.00 0.00 C ATOM 1264 C ARG A 78 -7.844 -3.232 -6.351 1.00 0.00 C ATOM 1265 O ARG A 78 -8.211 -2.085 -6.184 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.513 -5.293 -5.119 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.936 -4.748 -5.004 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.901 -5.897 -4.700 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.288 -6.574 -5.972 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.528 -6.931 -6.171 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -13.111 -7.754 -5.343 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.185 -6.467 -7.199 1.00 0.00 N ATOM 0 H ARG A 78 -8.136 -2.458 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.513 -4.546 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.419 -5.902 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.292 -5.940 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.987 -3.998 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.223 -4.254 -5.932 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.431 -6.611 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.788 -5.516 -4.194 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.584 -6.758 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.598 -8.118 -4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.080 -8.033 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.730 -5.825 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.154 -6.747 -7.354 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.718 -3.728 -7.548 1.00 0.00 N ATOM 1287 CA ILE A 79 -8.029 -2.871 -8.728 1.00 0.00 C ATOM 1288 C ILE A 79 -9.145 -3.499 -9.566 1.00 0.00 C ATOM 1289 O ILE A 79 -9.380 -4.690 -9.520 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.783 -2.695 -9.592 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -7.079 -1.663 -10.682 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.410 -4.029 -10.237 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.852 -0.784 -10.910 1.00 0.00 C ATOM 0 H ILE A 79 -7.417 -4.679 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.360 -1.897 -8.367 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.952 -2.354 -8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.353 -2.168 -11.608 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.930 -1.047 -10.391 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.520 -3.899 -10.853 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.209 -4.766 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.235 -4.375 -10.860 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.069 -0.051 -11.687 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.598 -0.267 -9.985 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.012 -1.405 -11.221 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.832 -2.694 -10.332 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.937 -3.222 -11.179 1.00 0.00 C ATOM 1307 C ASP A 80 -10.382 -4.271 -12.148 1.00 0.00 C ATOM 1308 O ASP A 80 -9.251 -4.175 -12.582 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.564 -2.072 -11.972 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.515 -1.288 -11.067 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.606 -1.776 -10.824 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.137 -0.212 -10.633 1.00 0.00 O ATOM 0 H ASP A 80 -9.673 -1.689 -10.407 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.695 -3.681 -10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.785 -1.414 -12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.105 -2.463 -12.834 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.199 -5.247 -12.450 1.00 0.00 N ATOM 1318 CA PRO A 81 -10.827 -6.347 -13.359 1.00 0.00 C ATOM 1319 C PRO A 81 -10.950 -5.915 -14.826 1.00 0.00 C ATOM 1320 O PRO A 81 -9.990 -5.935 -15.571 1.00 0.00 O ATOM 1321 CB PRO A 81 -11.849 -7.438 -13.030 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.067 -6.722 -12.396 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.569 -5.348 -11.908 1.00 0.00 C ATOM 0 HA PRO A 81 -9.795 -6.672 -13.230 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.142 -7.979 -13.930 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.427 -8.170 -12.341 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.870 -6.606 -13.124 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.470 -7.304 -11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.203 -4.541 -12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.573 -5.286 -10.820 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.126 -5.537 -15.248 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.316 -5.120 -16.668 1.00 0.00 C ATOM 1333 C ALA A 82 -11.294 -4.047 -17.043 1.00 0.00 C ATOM 1334 O ALA A 82 -10.827 -3.989 -18.163 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.728 -4.563 -16.852 1.00 0.00 C ATOM 0 H ALA A 82 -12.965 -5.499 -14.670 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.175 -5.987 -17.314 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.867 -4.258 -17.889 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.458 -5.332 -16.599 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.867 -3.701 -16.199 1.00 0.00 H new ATOM 1341 N SER A 83 -10.933 -3.201 -16.121 1.00 0.00 N ATOM 1342 CA SER A 83 -9.938 -2.145 -16.439 1.00 0.00 C ATOM 1343 C SER A 83 -8.542 -2.682 -16.136 1.00 0.00 C ATOM 1344 O SER A 83 -7.546 -2.067 -16.456 1.00 0.00 O ATOM 1345 CB SER A 83 -10.207 -0.914 -15.574 1.00 0.00 C ATOM 1346 OG SER A 83 -11.421 -0.303 -15.990 1.00 0.00 O ATOM 0 H SER A 83 -11.284 -3.196 -15.163 1.00 0.00 H new ATOM 0 HA SER A 83 -10.012 -1.868 -17.491 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.272 -1.200 -14.524 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.382 -0.207 -15.661 1.00 0.00 H new ATOM 0 HG SER A 83 -11.597 0.486 -15.436 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.468 -3.827 -15.516 1.00 0.00 N ATOM 1353 CA GLU A 84 -7.144 -4.403 -15.174 1.00 0.00 C ATOM 1354 C GLU A 84 -6.310 -4.570 -16.442 1.00 0.00 C ATOM 1355 O GLU A 84 -5.246 -4.004 -16.560 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.347 -5.761 -14.496 1.00 0.00 C ATOM 1357 CG GLU A 84 -5.996 -6.444 -14.282 1.00 0.00 C ATOM 1358 CD GLU A 84 -5.385 -5.961 -12.966 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.115 -5.880 -11.993 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -4.198 -5.682 -12.953 1.00 0.00 O ATOM 0 H GLU A 84 -9.271 -4.388 -15.232 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.617 -3.734 -14.494 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.852 -5.628 -13.539 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.990 -6.391 -15.111 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.123 -7.526 -14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.326 -6.217 -15.111 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.777 -5.326 -17.394 1.00 0.00 N ATOM 1368 CA ALA A 85 -5.983 -5.497 -18.642 1.00 0.00 C ATOM 1369 C ALA A 85 -5.612 -4.118 -19.188 1.00 0.00 C ATOM 1370 O ALA A 85 -4.671 -3.970 -19.942 1.00 0.00 O ATOM 1371 CB ALA A 85 -6.814 -6.251 -19.682 1.00 0.00 C ATOM 0 H ALA A 85 -7.664 -5.828 -17.364 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.078 -6.066 -18.426 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.230 -6.375 -20.594 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.086 -7.231 -19.290 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.719 -5.685 -19.904 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.344 -3.106 -18.808 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.034 -1.735 -19.300 1.00 0.00 C ATOM 1379 C LYS A 86 -4.966 -1.103 -18.407 1.00 0.00 C ATOM 1380 O LYS A 86 -3.885 -0.777 -18.854 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.303 -0.879 -19.259 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.294 0.112 -20.426 1.00 0.00 C ATOM 1383 CD LYS A 86 -6.782 1.470 -19.940 1.00 0.00 C ATOM 1384 CE LYS A 86 -5.315 1.636 -20.340 1.00 0.00 C ATOM 1385 NZ LYS A 86 -5.181 2.790 -21.274 1.00 0.00 N ATOM 0 H LYS A 86 -7.143 -3.170 -18.178 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.666 -1.791 -20.324 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.185 -1.516 -19.317 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.360 -0.341 -18.313 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.659 -0.262 -21.229 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.298 0.216 -20.836 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.381 2.272 -20.372 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.885 1.543 -18.857 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.702 1.799 -19.454 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.952 0.725 -20.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.183 2.903 -21.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.754 2.617 -22.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.512 3.657 -20.804 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.258 -0.918 -17.147 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.248 -0.295 -16.241 1.00 0.00 C ATOM 1401 C LEU A 87 -2.918 -1.023 -16.355 1.00 0.00 C ATOM 1402 O LEU A 87 -1.907 -0.447 -16.705 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.705 -0.355 -14.778 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.684 -1.511 -14.543 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -5.221 -2.335 -13.345 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -7.073 -0.936 -14.250 1.00 0.00 C ATOM 0 H LEU A 87 -6.144 -1.169 -16.708 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.137 0.746 -16.544 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.837 -0.474 -14.129 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.180 0.587 -14.505 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.722 -2.145 -15.429 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.917 -3.157 -13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.227 -2.736 -13.542 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.188 -1.702 -12.459 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.776 -1.752 -14.081 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.026 -0.307 -13.361 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.406 -0.339 -15.099 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.912 -2.276 -16.040 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.657 -3.061 -16.101 1.00 0.00 C ATOM 1420 C VAL A 88 -0.846 -2.689 -17.340 1.00 0.00 C ATOM 1421 O VAL A 88 0.369 -2.682 -17.316 1.00 0.00 O ATOM 1422 CB VAL A 88 -2.016 -4.521 -16.195 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.712 -4.969 -14.911 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.948 -4.711 -17.387 1.00 0.00 C ATOM 0 H VAL A 88 -3.733 -2.800 -15.738 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.064 -2.852 -15.210 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.115 -5.120 -16.327 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.969 -6.026 -14.986 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.044 -4.817 -14.063 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.620 -4.384 -14.767 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.220 -5.763 -17.472 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.849 -4.114 -17.243 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.443 -4.392 -18.299 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.497 -2.389 -18.429 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.735 -2.031 -19.655 1.00 0.00 C ATOM 1436 C GLU A 89 0.228 -0.906 -19.300 1.00 0.00 C ATOM 1437 O GLU A 89 1.285 -0.768 -19.880 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.699 -1.562 -20.748 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.577 -2.479 -21.966 1.00 0.00 C ATOM 1440 CD GLU A 89 -1.963 -1.706 -23.229 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -1.963 -0.487 -23.177 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -2.251 -2.347 -24.226 1.00 0.00 O ATOM 0 H GLU A 89 -2.513 -2.376 -18.522 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.186 -2.897 -20.025 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.723 -1.572 -20.373 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.473 -0.534 -21.030 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.556 -2.852 -22.053 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.224 -3.348 -21.847 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.124 -0.117 -18.325 1.00 0.00 N ATOM 1450 CA GLN A 90 0.773 0.986 -17.894 1.00 0.00 C ATOM 1451 C GLN A 90 1.694 0.462 -16.788 1.00 0.00 C ATOM 1452 O GLN A 90 2.745 1.014 -16.526 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.067 2.147 -17.360 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.703 2.897 -18.532 1.00 0.00 C ATOM 1455 CD GLN A 90 -0.675 4.401 -18.251 1.00 0.00 C ATOM 1456 OE1 GLN A 90 0.245 5.087 -18.648 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -1.652 4.944 -17.579 1.00 0.00 N ATOM 0 H GLN A 90 -0.999 -0.190 -17.806 1.00 0.00 H new ATOM 0 HA GLN A 90 1.368 1.337 -18.737 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.842 1.772 -16.691 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.558 2.824 -16.777 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.163 2.678 -19.453 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.730 2.562 -18.677 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.424 4.367 -17.246 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.644 5.946 -17.387 1.00 0.00 H new ATOM 1466 N ALA A 91 1.303 -0.606 -16.137 1.00 0.00 N ATOM 1467 CA ALA A 91 2.151 -1.172 -15.049 1.00 0.00 C ATOM 1468 C ALA A 91 3.473 -1.664 -15.630 1.00 0.00 C ATOM 1469 O ALA A 91 4.533 -1.331 -15.145 1.00 0.00 O ATOM 1470 CB ALA A 91 1.436 -2.347 -14.379 1.00 0.00 C ATOM 0 H ALA A 91 0.433 -1.108 -16.314 1.00 0.00 H new ATOM 0 HA ALA A 91 2.337 -0.392 -14.311 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.065 -2.752 -13.586 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.493 -2.004 -13.954 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.240 -3.123 -15.119 1.00 0.00 H new ATOM 1476 N PHE A 92 3.414 -2.462 -16.663 1.00 0.00 N ATOM 1477 CA PHE A 92 4.665 -2.997 -17.277 1.00 0.00 C ATOM 1478 C PHE A 92 5.297 -1.957 -18.210 1.00 0.00 C ATOM 1479 O PHE A 92 6.156 -2.276 -19.008 1.00 0.00 O ATOM 1480 CB PHE A 92 4.331 -4.259 -18.076 1.00 0.00 C ATOM 1481 CG PHE A 92 3.248 -5.033 -17.362 1.00 0.00 C ATOM 1482 CD1 PHE A 92 3.283 -5.160 -15.967 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.208 -5.624 -18.091 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.280 -5.876 -15.303 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.205 -6.341 -17.426 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.242 -6.466 -16.032 1.00 0.00 C ATOM 0 H PHE A 92 2.550 -2.768 -17.110 1.00 0.00 H new ATOM 0 HA PHE A 92 5.375 -3.231 -16.484 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.000 -3.991 -19.079 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.221 -4.878 -18.189 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.084 -4.705 -15.404 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.179 -5.527 -19.166 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.308 -5.973 -14.228 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.404 -6.797 -17.988 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.469 -7.018 -15.519 1.00 0.00 H new ATOM 1496 N ARG A 93 4.891 -0.719 -18.119 1.00 0.00 N ATOM 1497 CA ARG A 93 5.488 0.320 -19.006 1.00 0.00 C ATOM 1498 C ARG A 93 6.673 0.979 -18.291 1.00 0.00 C ATOM 1499 O ARG A 93 7.397 1.767 -18.866 1.00 0.00 O ATOM 1500 CB ARG A 93 4.431 1.377 -19.338 1.00 0.00 C ATOM 1501 CG ARG A 93 3.713 0.992 -20.633 1.00 0.00 C ATOM 1502 CD ARG A 93 3.645 2.205 -21.562 1.00 0.00 C ATOM 1503 NE ARG A 93 4.630 2.041 -22.667 1.00 0.00 N ATOM 1504 CZ ARG A 93 5.556 2.940 -22.856 1.00 0.00 C ATOM 1505 NH1 ARG A 93 5.283 4.203 -22.675 1.00 0.00 N ATOM 1506 NH2 ARG A 93 6.753 2.577 -23.223 1.00 0.00 N ATOM 0 H ARG A 93 4.176 -0.384 -17.473 1.00 0.00 H new ATOM 0 HA ARG A 93 5.835 -0.143 -19.930 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.713 1.457 -18.522 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.901 2.355 -19.447 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.241 0.174 -21.124 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.708 0.635 -20.411 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.639 2.308 -21.970 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.858 3.116 -21.003 1.00 0.00 H new ATOM 0 HE ARG A 93 4.580 1.225 -23.277 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.347 4.486 -22.386 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.006 4.907 -22.822 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.966 1.589 -23.363 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.477 3.281 -23.371 1.00 0.00 H new ATOM 1520 N LYS A 94 6.879 0.659 -17.039 1.00 0.00 N ATOM 1521 CA LYS A 94 8.019 1.260 -16.284 1.00 0.00 C ATOM 1522 C LYS A 94 8.703 0.196 -15.436 1.00 0.00 C ATOM 1523 O LYS A 94 9.308 0.500 -14.429 1.00 0.00 O ATOM 1524 CB LYS A 94 7.534 2.387 -15.364 1.00 0.00 C ATOM 1525 CG LYS A 94 6.035 2.261 -15.061 1.00 0.00 C ATOM 1526 CD LYS A 94 5.297 3.467 -15.647 1.00 0.00 C ATOM 1527 CE LYS A 94 5.596 3.575 -17.143 1.00 0.00 C ATOM 1528 NZ LYS A 94 5.426 4.988 -17.586 1.00 0.00 N ATOM 0 H LYS A 94 6.305 0.006 -16.506 1.00 0.00 H new ATOM 0 HA LYS A 94 8.722 1.668 -17.010 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.098 2.365 -14.431 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.732 3.351 -15.833 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.643 1.338 -15.487 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.873 2.209 -13.984 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.224 3.362 -15.487 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.608 4.379 -15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.613 3.239 -17.346 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.927 2.924 -17.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.630 5.060 -18.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.448 5.293 -17.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.082 5.599 -17.058 1.00 0.00 H new ATOM 1542 N ARG A 95 8.620 -1.042 -15.830 1.00 0.00 N ATOM 1543 CA ARG A 95 9.269 -2.115 -15.029 1.00 0.00 C ATOM 1544 C ARG A 95 10.169 -2.964 -15.929 1.00 0.00 C ATOM 1545 O ARG A 95 9.842 -3.245 -17.065 1.00 0.00 O ATOM 1546 CB ARG A 95 8.191 -3.004 -14.400 1.00 0.00 C ATOM 1547 CG ARG A 95 6.876 -2.222 -14.269 1.00 0.00 C ATOM 1548 CD ARG A 95 6.084 -2.750 -13.074 1.00 0.00 C ATOM 1549 NE ARG A 95 5.707 -4.171 -13.318 1.00 0.00 N ATOM 1550 CZ ARG A 95 6.573 -5.124 -13.097 1.00 0.00 C ATOM 1551 NH1 ARG A 95 7.364 -5.058 -12.063 1.00 0.00 N ATOM 1552 NH2 ARG A 95 6.646 -6.143 -13.910 1.00 0.00 N ATOM 0 H ARG A 95 8.133 -1.357 -16.669 1.00 0.00 H new ATOM 0 HA ARG A 95 9.874 -1.661 -14.244 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.036 -3.892 -15.014 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.518 -3.348 -13.419 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.084 -1.160 -14.140 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.288 -2.323 -15.181 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.681 -2.672 -12.165 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.190 -2.146 -12.921 1.00 0.00 H new ATOM 0 HE ARG A 95 4.773 -4.400 -13.658 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.307 -4.263 -11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.040 -5.802 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.027 -6.196 -14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.322 -6.886 -13.736 1.00 0.00 H new ATOM 1566 N ARG A 96 11.299 -3.372 -15.426 1.00 0.00 N ATOM 1567 CA ARG A 96 12.228 -4.204 -16.241 1.00 0.00 C ATOM 1568 C ARG A 96 13.327 -4.760 -15.334 1.00 0.00 C ATOM 1569 O ARG A 96 13.551 -4.271 -14.244 1.00 0.00 O ATOM 1570 CB ARG A 96 12.858 -3.342 -17.337 1.00 0.00 C ATOM 1571 CG ARG A 96 12.662 -4.017 -18.697 1.00 0.00 C ATOM 1572 CD ARG A 96 11.411 -3.451 -19.372 1.00 0.00 C ATOM 1573 NE ARG A 96 11.764 -2.943 -20.728 1.00 0.00 N ATOM 1574 CZ ARG A 96 12.483 -3.676 -21.533 1.00 0.00 C ATOM 1575 NH1 ARG A 96 12.092 -4.880 -21.844 1.00 0.00 N ATOM 1576 NH2 ARG A 96 13.594 -3.202 -22.029 1.00 0.00 N ATOM 0 H ARG A 96 11.622 -3.164 -14.481 1.00 0.00 H new ATOM 0 HA ARG A 96 11.679 -5.026 -16.700 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.402 -2.352 -17.342 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.921 -3.203 -17.138 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.535 -3.850 -19.327 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.563 -5.095 -18.569 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.646 -4.223 -19.449 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.992 -2.646 -18.768 1.00 0.00 H new ATOM 0 HE ARG A 96 11.443 -2.022 -21.027 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.223 -5.250 -21.458 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.655 -5.452 -22.473 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.899 -2.259 -21.787 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.157 -3.774 -22.658 1.00 0.00 H new ATOM 1590 N GLN A 97 14.016 -5.777 -15.771 1.00 0.00 N ATOM 1591 CA GLN A 97 15.099 -6.356 -14.928 1.00 0.00 C ATOM 1592 C GLN A 97 16.302 -6.703 -15.804 1.00 0.00 C ATOM 1593 O GLN A 97 16.943 -7.719 -15.623 1.00 0.00 O ATOM 1594 CB GLN A 97 14.588 -7.623 -14.238 1.00 0.00 C ATOM 1595 CG GLN A 97 14.181 -7.290 -12.802 1.00 0.00 C ATOM 1596 CD GLN A 97 14.902 -8.232 -11.835 1.00 0.00 C ATOM 1597 OE1 GLN A 97 15.089 -9.396 -12.128 1.00 0.00 O ATOM 1598 NE2 GLN A 97 15.317 -7.774 -10.686 1.00 0.00 N ATOM 0 H GLN A 97 13.877 -6.232 -16.673 1.00 0.00 H new ATOM 0 HA GLN A 97 15.398 -5.627 -14.175 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.737 -8.030 -14.784 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.363 -8.389 -14.240 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.432 -6.254 -12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.102 -7.389 -12.686 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.160 -6.797 -10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.798 -8.393 -10.034 1.00 0.00 H new ATOM 1607 N ARG A 98 16.615 -5.864 -16.754 1.00 0.00 N ATOM 1608 CA ARG A 98 17.777 -6.144 -17.641 1.00 0.00 C ATOM 1609 C ARG A 98 18.522 -4.838 -17.926 1.00 0.00 C ATOM 1610 O ARG A 98 19.063 -4.642 -18.997 1.00 0.00 O ATOM 1611 CB ARG A 98 17.284 -6.752 -18.956 1.00 0.00 C ATOM 1612 CG ARG A 98 16.451 -8.002 -18.664 1.00 0.00 C ATOM 1613 CD ARG A 98 17.383 -9.185 -18.395 1.00 0.00 C ATOM 1614 NE ARG A 98 18.321 -9.349 -19.541 1.00 0.00 N ATOM 1615 CZ ARG A 98 17.992 -10.109 -20.549 1.00 0.00 C ATOM 1616 NH1 ARG A 98 18.200 -11.396 -20.492 1.00 0.00 N ATOM 1617 NH2 ARG A 98 17.459 -9.582 -21.618 1.00 0.00 N ATOM 0 H ARG A 98 16.116 -4.997 -16.953 1.00 0.00 H new ATOM 0 HA ARG A 98 18.450 -6.847 -17.150 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.685 -6.024 -19.503 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.133 -7.008 -19.590 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.807 -7.829 -17.802 1.00 0.00 H new ATOM 0 HG3 ARG A 98 15.800 -8.223 -19.509 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.942 -9.019 -17.474 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.801 -10.096 -18.254 1.00 0.00 H new ATOM 0 HE ARG A 98 19.220 -8.867 -19.537 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.620 -11.808 -19.659 1.00 0.00 H new ATOM 0 HH12 ARG A 98 17.943 -11.990 -21.280 1.00 0.00 H new ATOM 0 HH21 ARG A 98 17.300 -8.576 -21.665 1.00 0.00 H new ATOM 0 HH22 ARG A 98 17.202 -10.177 -22.406 1.00 0.00 H new ATOM 1631 N GLY A 99 18.554 -3.942 -16.978 1.00 0.00 N ATOM 1632 CA GLY A 99 19.262 -2.649 -17.196 1.00 0.00 C ATOM 1633 C GLY A 99 19.641 -2.037 -15.845 1.00 0.00 C ATOM 1634 O GLY A 99 18.793 -1.742 -15.027 1.00 0.00 O ATOM 0 H GLY A 99 18.120 -4.050 -16.061 1.00 0.00 H new ATOM 0 HA2 GLY A 99 20.157 -2.810 -17.798 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.623 -1.962 -17.751 1.00 0.00 H new ATOM 1638 N VAL A 100 20.909 -1.845 -15.607 1.00 0.00 N ATOM 1639 CA VAL A 100 21.343 -1.252 -14.311 1.00 0.00 C ATOM 1640 C VAL A 100 21.567 0.252 -14.487 1.00 0.00 C ATOM 1641 O VAL A 100 22.509 0.815 -13.968 1.00 0.00 O ATOM 1642 CB VAL A 100 22.646 -1.914 -13.860 1.00 0.00 C ATOM 1643 CG1 VAL A 100 23.746 -1.621 -14.881 1.00 0.00 C ATOM 1644 CG2 VAL A 100 23.058 -1.357 -12.495 1.00 0.00 C ATOM 0 H VAL A 100 21.664 -2.073 -16.254 1.00 0.00 H new ATOM 0 HA VAL A 100 20.572 -1.417 -13.558 1.00 0.00 H new ATOM 0 HB VAL A 100 22.497 -2.991 -13.783 1.00 0.00 H new ATOM 0 HG11 VAL A 100 24.675 -2.092 -14.560 1.00 0.00 H new ATOM 0 HG12 VAL A 100 23.455 -2.018 -15.854 1.00 0.00 H new ATOM 0 HG13 VAL A 100 23.894 -0.544 -14.958 1.00 0.00 H new ATOM 0 HG21 VAL A 100 23.987 -1.829 -12.174 1.00 0.00 H new ATOM 0 HG22 VAL A 100 23.206 -0.280 -12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 100 22.275 -1.565 -11.766 1.00 0.00 H new ATOM 1654 N SER A 101 20.707 0.907 -15.221 1.00 0.00 N ATOM 1655 CA SER A 101 20.870 2.373 -15.432 1.00 0.00 C ATOM 1656 C SER A 101 22.326 2.681 -15.783 1.00 0.00 C ATOM 1657 O SER A 101 22.990 1.799 -16.300 1.00 0.00 O ATOM 1658 CB SER A 101 20.484 3.119 -14.154 1.00 0.00 C ATOM 1659 OG SER A 101 21.332 2.703 -13.093 1.00 0.00 O ATOM 1660 OXT SER A 101 22.752 3.796 -15.529 1.00 0.00 O ATOM 0 H SER A 101 19.899 0.489 -15.683 1.00 0.00 H new ATOM 0 HA SER A 101 20.225 2.695 -16.249 1.00 0.00 H new ATOM 0 HB2 SER A 101 20.574 4.195 -14.306 1.00 0.00 H new ATOM 0 HB3 SER A 101 19.443 2.918 -13.903 1.00 0.00 H new ATOM 0 HG SER A 101 22.096 2.209 -13.459 1.00 0.00 H new TER 1666 SER A 101