USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 457 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 22 THR OG1 : rot 88:sc= 1.25 USER MOD Set 1.2: A 32 SER OG : rot -84:sc= 1.24 USER MOD Set 2.1: A 12 SER OG : rot 170:sc= 0.719 USER MOD Set 2.2: A 15 GLN : amide:sc= -0.743 K(o=-0.024,f=0.69) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 104:sc= 1.23 USER MOD Single : A 25 THR OG1 : rot -60:sc= 1.21 USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 0.925 (180deg=0.658) USER MOD Single : A 27 CYS SG : rot 150:sc= 0.298 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.58) USER MOD Single : A 39 ASN : amide:sc= 0.0624 K(o=0.062,f=-0.99) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.26! K(o=-1.3!,f=0.26) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0844 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 1.16 (180deg=1.07) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 19.815 -6.671 1.742 1.00 0.00 N ATOM 2 CA ILE A 6 20.054 -5.489 2.561 1.00 0.00 C ATOM 3 C ILE A 6 21.532 -5.092 2.476 1.00 0.00 C ATOM 4 O ILE A 6 21.963 -4.118 3.090 1.00 0.00 O ATOM 5 CB ILE A 6 19.575 -5.752 4.001 1.00 0.00 C ATOM 6 CG1 ILE A 6 18.201 -6.442 3.984 1.00 0.00 C ATOM 7 CG2 ILE A 6 19.475 -4.441 4.790 1.00 0.00 C ATOM 8 CD1 ILE A 6 17.648 -6.691 5.388 1.00 0.00 C ATOM 0 HA ILE A 6 19.480 -4.641 2.188 1.00 0.00 H new ATOM 0 HB ILE A 6 20.304 -6.401 4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.497 -5.826 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.283 -7.392 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.135 -4.652 5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 6 20.454 -3.963 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.765 -3.775 4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 6 16.677 -7.180 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.335 -7.330 5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 6 17.537 -5.740 5.909 1.00 0.00 H new ATOM 19 N LYS A 7 22.320 -5.850 1.706 1.00 0.00 N ATOM 20 CA LYS A 7 23.749 -5.607 1.536 1.00 0.00 C ATOM 21 C LYS A 7 24.027 -4.719 0.321 1.00 0.00 C ATOM 22 O LYS A 7 25.186 -4.502 -0.035 1.00 0.00 O ATOM 23 CB LYS A 7 24.497 -6.940 1.435 1.00 0.00 C ATOM 24 CG LYS A 7 24.254 -7.843 2.646 1.00 0.00 C ATOM 25 CD LYS A 7 24.711 -7.179 3.947 1.00 0.00 C ATOM 26 CE LYS A 7 24.522 -8.153 5.111 1.00 0.00 C ATOM 27 NZ LYS A 7 24.950 -7.548 6.386 1.00 0.00 N ATOM 0 H LYS A 7 21.977 -6.655 1.181 1.00 0.00 H new ATOM 0 HA LYS A 7 24.113 -5.069 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 7 24.184 -7.460 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 7 25.565 -6.747 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.193 -8.084 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.787 -8.784 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 7 25.758 -6.887 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 7 24.138 -6.269 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 7 23.474 -8.445 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 7 25.095 -9.061 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 24.811 -8.231 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 25.956 -7.291 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 24.385 -6.695 6.572 1.00 0.00 H new ATOM 41 N ARG A 8 22.968 -4.209 -0.314 1.00 0.00 N ATOM 42 CA ARG A 8 23.073 -3.347 -1.486 1.00 0.00 C ATOM 43 C ARG A 8 23.333 -1.905 -1.056 1.00 0.00 C ATOM 44 O ARG A 8 23.166 -1.562 0.115 1.00 0.00 O ATOM 45 CB ARG A 8 21.787 -3.455 -2.312 1.00 0.00 C ATOM 46 CG ARG A 8 21.641 -4.846 -2.905 1.00 0.00 C ATOM 47 CD ARG A 8 20.304 -5.002 -3.628 1.00 0.00 C ATOM 48 NE ARG A 8 19.181 -4.930 -2.685 1.00 0.00 N ATOM 49 CZ ARG A 8 17.906 -5.154 -3.003 1.00 0.00 C ATOM 50 NH1 ARG A 8 17.549 -5.437 -4.252 1.00 0.00 N ATOM 51 NH2 ARG A 8 16.980 -5.095 -2.052 1.00 0.00 N ATOM 0 H ARG A 8 22.007 -4.387 -0.023 1.00 0.00 H new ATOM 0 HA ARG A 8 23.912 -3.667 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.926 -3.231 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 8 21.800 -2.714 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 8 22.458 -5.035 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 8 21.718 -5.591 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.201 -4.221 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 8 20.281 -5.957 -4.154 1.00 0.00 H new ATOM 0 HE ARG A 8 19.392 -4.691 -1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.256 -5.486 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.568 -5.605 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.248 -4.880 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.001 -5.264 -2.282 1.00 0.00 H new ATOM 65 N LYS A 9 23.740 -1.060 -2.009 1.00 0.00 N ATOM 66 CA LYS A 9 24.064 0.339 -1.750 1.00 0.00 C ATOM 67 C LYS A 9 23.294 1.299 -2.654 1.00 0.00 C ATOM 68 O LYS A 9 23.615 2.485 -2.716 1.00 0.00 O ATOM 69 CB LYS A 9 25.586 0.544 -1.794 1.00 0.00 C ATOM 70 CG LYS A 9 26.269 -0.003 -3.054 1.00 0.00 C ATOM 71 CD LYS A 9 25.818 0.702 -4.335 1.00 0.00 C ATOM 72 CE LYS A 9 26.674 0.211 -5.502 1.00 0.00 C ATOM 73 NZ LYS A 9 26.301 0.883 -6.760 1.00 0.00 N ATOM 0 H LYS A 9 23.853 -1.333 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 9 23.730 0.587 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.798 1.610 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.029 0.066 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.349 0.102 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.059 -1.069 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.765 0.495 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.916 1.782 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.726 0.396 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.556 -0.867 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.899 0.529 -7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.303 0.686 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.437 1.909 -6.659 1.00 0.00 H new ATOM 87 N ASP A 10 22.284 0.788 -3.360 1.00 0.00 N ATOM 88 CA ASP A 10 21.443 1.601 -4.229 1.00 0.00 C ATOM 89 C ASP A 10 19.992 1.114 -4.197 1.00 0.00 C ATOM 90 O ASP A 10 19.161 1.540 -4.996 1.00 0.00 O ATOM 91 CB ASP A 10 22.022 1.587 -5.646 1.00 0.00 C ATOM 92 CG ASP A 10 21.311 2.567 -6.574 1.00 0.00 C ATOM 93 OD1 ASP A 10 21.236 3.760 -6.207 1.00 0.00 O ATOM 94 OD2 ASP A 10 20.848 2.115 -7.647 1.00 0.00 O ATOM 0 H ASP A 10 22.029 -0.200 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 10 21.434 2.630 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.083 1.834 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.945 0.580 -6.057 1.00 0.00 H new ATOM 99 N ALA A 11 19.691 0.210 -3.263 1.00 0.00 N ATOM 100 CA ALA A 11 18.369 -0.371 -3.103 1.00 0.00 C ATOM 101 C ALA A 11 18.213 -0.927 -1.690 1.00 0.00 C ATOM 102 O ALA A 11 19.199 -1.102 -0.975 1.00 0.00 O ATOM 103 CB ALA A 11 18.181 -1.492 -4.126 1.00 0.00 C ATOM 0 H ALA A 11 20.373 -0.140 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 11 17.614 0.398 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.190 -1.930 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.281 -1.086 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.938 -2.260 -3.967 1.00 0.00 H new ATOM 109 N SER A 12 16.972 -1.206 -1.289 1.00 0.00 N ATOM 110 CA SER A 12 16.666 -1.771 0.018 1.00 0.00 C ATOM 111 C SER A 12 15.434 -2.667 -0.099 1.00 0.00 C ATOM 112 O SER A 12 14.742 -2.625 -1.114 1.00 0.00 O ATOM 113 CB SER A 12 16.451 -0.641 1.029 1.00 0.00 C ATOM 114 OG SER A 12 15.076 -0.389 1.233 1.00 0.00 O ATOM 0 H SER A 12 16.148 -1.044 -1.869 1.00 0.00 H new ATOM 0 HA SER A 12 17.498 -2.380 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.919 -0.905 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.940 0.266 0.673 1.00 0.00 H new ATOM 0 HG SER A 12 14.964 0.218 1.994 1.00 0.00 H new ATOM 120 N PRO A 13 15.138 -3.482 0.921 1.00 0.00 N ATOM 121 CA PRO A 13 14.025 -4.414 0.897 1.00 0.00 C ATOM 122 C PRO A 13 12.714 -3.657 1.021 1.00 0.00 C ATOM 123 O PRO A 13 11.677 -4.101 0.529 1.00 0.00 O ATOM 124 CB PRO A 13 14.232 -5.279 2.139 1.00 0.00 C ATOM 125 CG PRO A 13 14.868 -4.283 3.112 1.00 0.00 C ATOM 126 CD PRO A 13 15.833 -3.542 2.192 1.00 0.00 C ATOM 0 HA PRO A 13 13.986 -4.995 -0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.292 -5.679 2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.884 -6.130 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.130 -3.616 3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.384 -4.782 3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.058 -2.545 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.782 -4.070 2.102 1.00 0.00 H new ATOM 134 N GLU A 14 12.771 -2.503 1.684 1.00 0.00 N ATOM 135 CA GLU A 14 11.621 -1.642 1.835 1.00 0.00 C ATOM 136 C GLU A 14 11.400 -0.897 0.525 1.00 0.00 C ATOM 137 O GLU A 14 10.265 -0.614 0.166 1.00 0.00 O ATOM 138 CB GLU A 14 11.869 -0.668 2.987 1.00 0.00 C ATOM 139 CG GLU A 14 12.012 -1.394 4.323 1.00 0.00 C ATOM 140 CD GLU A 14 12.147 -0.416 5.489 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.745 0.665 5.280 1.00 0.00 O ATOM 142 OE2 GLU A 14 11.653 -0.756 6.586 1.00 0.00 O ATOM 0 H GLU A 14 13.618 -2.148 2.127 1.00 0.00 H new ATOM 0 HA GLU A 14 10.729 -2.224 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.773 -0.092 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.045 0.043 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.144 -2.034 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.886 -2.045 4.291 1.00 0.00 H new ATOM 149 N GLN A 15 12.485 -0.578 -0.188 1.00 0.00 N ATOM 150 CA GLN A 15 12.405 0.144 -1.446 1.00 0.00 C ATOM 151 C GLN A 15 11.756 -0.714 -2.515 1.00 0.00 C ATOM 152 O GLN A 15 11.098 -0.206 -3.417 1.00 0.00 O ATOM 153 CB GLN A 15 13.819 0.543 -1.877 1.00 0.00 C ATOM 154 CG GLN A 15 13.889 2.056 -2.038 1.00 0.00 C ATOM 155 CD GLN A 15 13.399 2.723 -0.760 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.672 3.712 -0.795 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.799 2.172 0.383 1.00 0.00 N ATOM 0 H GLN A 15 13.436 -0.815 0.095 1.00 0.00 H new ATOM 0 HA GLN A 15 11.793 1.036 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.545 0.211 -1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.077 0.054 -2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.913 2.363 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.278 2.372 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.403 1.350 0.369 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.501 2.571 1.273 1.00 0.00 H new ATOM 166 N GLU A 16 11.949 -2.021 -2.403 1.00 0.00 N ATOM 167 CA GLU A 16 11.404 -2.949 -3.380 1.00 0.00 C ATOM 168 C GLU A 16 9.900 -3.123 -3.207 1.00 0.00 C ATOM 169 O GLU A 16 9.234 -3.686 -4.073 1.00 0.00 O ATOM 170 CB GLU A 16 12.123 -4.296 -3.279 1.00 0.00 C ATOM 171 CG GLU A 16 13.553 -4.130 -3.779 1.00 0.00 C ATOM 172 CD GLU A 16 14.327 -5.439 -3.718 1.00 0.00 C ATOM 173 OE1 GLU A 16 14.437 -5.996 -2.604 1.00 0.00 O ATOM 174 OE2 GLU A 16 14.809 -5.880 -4.786 1.00 0.00 O ATOM 0 H GLU A 16 12.477 -2.460 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 16 11.570 -2.534 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.123 -4.647 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.601 -5.047 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.539 -3.763 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.063 -3.377 -3.178 1.00 0.00 H new ATOM 181 N ALA A 17 9.369 -2.633 -2.084 1.00 0.00 N ATOM 182 CA ALA A 17 7.938 -2.637 -1.825 1.00 0.00 C ATOM 183 C ALA A 17 7.358 -1.221 -1.829 1.00 0.00 C ATOM 184 O ALA A 17 6.170 -1.046 -2.088 1.00 0.00 O ATOM 185 CB ALA A 17 7.690 -3.336 -0.489 1.00 0.00 C ATOM 0 H ALA A 17 9.924 -2.224 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 17 7.429 -3.178 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.621 -3.348 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.062 -4.359 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.210 -2.799 0.304 1.00 0.00 H new ATOM 191 N ILE A 18 8.180 -0.207 -1.545 1.00 0.00 N ATOM 192 CA ILE A 18 7.734 1.181 -1.480 1.00 0.00 C ATOM 193 C ILE A 18 7.669 1.798 -2.872 1.00 0.00 C ATOM 194 O ILE A 18 6.812 2.644 -3.116 1.00 0.00 O ATOM 195 CB ILE A 18 8.678 1.963 -0.553 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.381 1.580 0.904 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.513 3.474 -0.737 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.485 2.052 1.854 1.00 0.00 C ATOM 0 H ILE A 18 9.174 -0.329 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 18 6.724 1.224 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 18 9.707 1.706 -0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.430 2.017 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.274 0.498 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.194 3.999 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.740 3.742 -1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.486 3.759 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.236 1.761 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.432 1.595 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.574 3.137 1.798 1.00 0.00 H new ATOM 210 N GLU A 19 8.549 1.398 -3.795 1.00 0.00 N ATOM 211 CA GLU A 19 8.536 2.000 -5.119 1.00 0.00 C ATOM 212 C GLU A 19 7.263 1.626 -5.872 1.00 0.00 C ATOM 213 O GLU A 19 6.744 2.439 -6.631 1.00 0.00 O ATOM 214 CB GLU A 19 9.774 1.572 -5.909 1.00 0.00 C ATOM 215 CG GLU A 19 11.016 2.305 -5.397 1.00 0.00 C ATOM 216 CD GLU A 19 12.251 1.913 -6.202 1.00 0.00 C ATOM 217 OE1 GLU A 19 12.331 2.331 -7.379 1.00 0.00 O ATOM 218 OE2 GLU A 19 13.111 1.198 -5.643 1.00 0.00 O ATOM 0 H GLU A 19 9.259 0.680 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 19 8.555 3.084 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.917 0.495 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.629 1.786 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.861 3.382 -5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.174 2.070 -4.344 1.00 0.00 H new ATOM 225 N SER A 20 6.750 0.409 -5.670 1.00 0.00 N ATOM 226 CA SER A 20 5.529 -0.037 -6.318 1.00 0.00 C ATOM 227 C SER A 20 4.291 0.487 -5.600 1.00 0.00 C ATOM 228 O SER A 20 3.226 0.590 -6.206 1.00 0.00 O ATOM 229 CB SER A 20 5.532 -1.564 -6.316 1.00 0.00 C ATOM 230 OG SER A 20 6.622 -2.042 -7.077 1.00 0.00 O ATOM 0 H SER A 20 7.172 -0.286 -5.055 1.00 0.00 H new ATOM 0 HA SER A 20 5.495 0.350 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.600 -1.935 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.596 -1.939 -6.730 1.00 0.00 H new ATOM 0 HG SER A 20 6.620 -3.022 -7.071 1.00 0.00 H new ATOM 236 N PHE A 21 4.416 0.823 -4.314 1.00 0.00 N ATOM 237 CA PHE A 21 3.313 1.386 -3.554 1.00 0.00 C ATOM 238 C PHE A 21 3.090 2.826 -3.996 1.00 0.00 C ATOM 239 O PHE A 21 1.959 3.241 -4.236 1.00 0.00 O ATOM 240 CB PHE A 21 3.663 1.317 -2.069 1.00 0.00 C ATOM 241 CG PHE A 21 2.532 1.644 -1.112 1.00 0.00 C ATOM 242 CD1 PHE A 21 1.973 2.932 -1.086 1.00 0.00 C ATOM 243 CD2 PHE A 21 2.037 0.661 -0.240 1.00 0.00 C ATOM 244 CE1 PHE A 21 0.911 3.226 -0.222 1.00 0.00 C ATOM 245 CE2 PHE A 21 0.973 0.956 0.624 1.00 0.00 C ATOM 246 CZ PHE A 21 0.404 2.236 0.628 1.00 0.00 C ATOM 0 H PHE A 21 5.278 0.712 -3.780 1.00 0.00 H new ATOM 0 HA PHE A 21 2.394 0.826 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.025 0.313 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.488 2.003 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.365 3.700 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.477 -0.325 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.483 4.217 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.591 0.195 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.424 2.459 1.285 1.00 0.00 H new ATOM 256 N THR A 22 4.186 3.578 -4.100 1.00 0.00 N ATOM 257 CA THR A 22 4.164 4.972 -4.541 1.00 0.00 C ATOM 258 C THR A 22 3.916 5.063 -6.046 1.00 0.00 C ATOM 259 O THR A 22 3.750 6.156 -6.582 1.00 0.00 O ATOM 260 CB THR A 22 5.496 5.653 -4.232 1.00 0.00 C ATOM 261 OG1 THR A 22 6.036 5.185 -3.014 1.00 0.00 O ATOM 262 CG2 THR A 22 5.323 7.166 -4.089 1.00 0.00 C ATOM 0 H THR A 22 5.120 3.234 -3.879 1.00 0.00 H new ATOM 0 HA THR A 22 3.357 5.471 -4.005 1.00 0.00 H new ATOM 0 HB THR A 22 6.161 5.419 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.581 4.388 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.288 7.623 -3.869 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.930 7.577 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.628 7.378 -3.277 1.00 0.00 H new ATOM 270 N SER A 23 3.889 3.919 -6.738 1.00 0.00 N ATOM 271 CA SER A 23 3.582 3.911 -8.155 1.00 0.00 C ATOM 272 C SER A 23 2.083 3.749 -8.369 1.00 0.00 C ATOM 273 O SER A 23 1.528 4.287 -9.324 1.00 0.00 O ATOM 274 CB SER A 23 4.313 2.766 -8.841 1.00 0.00 C ATOM 275 OG SER A 23 5.698 3.020 -8.911 1.00 0.00 O ATOM 0 H SER A 23 4.075 3.000 -6.337 1.00 0.00 H new ATOM 0 HA SER A 23 3.907 4.859 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.137 1.839 -8.296 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.914 2.625 -9.846 1.00 0.00 H new ATOM 0 HG SER A 23 6.164 2.477 -8.242 1.00 0.00 H new ATOM 281 N LEU A 24 1.429 3.006 -7.471 1.00 0.00 N ATOM 282 CA LEU A 24 0.007 2.719 -7.561 1.00 0.00 C ATOM 283 C LEU A 24 -0.806 3.675 -6.697 1.00 0.00 C ATOM 284 O LEU A 24 -2.017 3.783 -6.864 1.00 0.00 O ATOM 285 CB LEU A 24 -0.226 1.273 -7.137 1.00 0.00 C ATOM 286 CG LEU A 24 0.366 0.277 -8.144 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.228 -1.143 -7.600 1.00 0.00 C ATOM 288 CD2 LEU A 24 -0.347 0.351 -9.495 1.00 0.00 C ATOM 0 H LEU A 24 1.881 2.587 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.324 2.859 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.220 1.106 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.296 1.093 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 24 1.415 0.536 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.649 -1.849 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.763 -1.224 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.826 -1.371 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.099 -0.368 -10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.404 0.118 -9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.246 1.356 -9.905 1.00 0.00 H new ATOM 300 N THR A 25 -0.134 4.365 -5.775 1.00 0.00 N ATOM 301 CA THR A 25 -0.724 5.442 -4.998 1.00 0.00 C ATOM 302 C THR A 25 0.233 6.621 -5.058 1.00 0.00 C ATOM 303 O THR A 25 1.441 6.423 -5.142 1.00 0.00 O ATOM 304 CB THR A 25 -0.984 5.019 -3.548 1.00 0.00 C ATOM 305 OG1 THR A 25 0.233 4.850 -2.867 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.785 3.724 -3.472 1.00 0.00 C ATOM 0 H THR A 25 0.844 4.186 -5.549 1.00 0.00 H new ATOM 0 HA THR A 25 -1.694 5.712 -5.415 1.00 0.00 H new ATOM 0 HB THR A 25 -1.567 5.811 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.764 4.158 -3.313 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.948 3.458 -2.428 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.747 3.862 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.233 2.925 -3.968 1.00 0.00 H new ATOM 314 N LYS A 26 -0.279 7.850 -5.017 1.00 0.00 N ATOM 315 CA LYS A 26 0.554 9.030 -5.223 1.00 0.00 C ATOM 316 C LYS A 26 0.894 9.724 -3.906 1.00 0.00 C ATOM 317 O LYS A 26 1.204 10.913 -3.892 1.00 0.00 O ATOM 318 CB LYS A 26 -0.076 9.967 -6.256 1.00 0.00 C ATOM 319 CG LYS A 26 -0.454 9.244 -7.555 1.00 0.00 C ATOM 320 CD LYS A 26 0.687 8.406 -8.145 1.00 0.00 C ATOM 321 CE LYS A 26 0.259 7.891 -9.519 1.00 0.00 C ATOM 322 NZ LYS A 26 1.307 7.050 -10.125 1.00 0.00 N ATOM 0 H LYS A 26 -1.263 8.053 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 26 1.509 8.706 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.967 10.427 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.622 10.773 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.309 8.595 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.771 9.981 -8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.591 9.008 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.922 7.571 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.662 7.316 -9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.042 8.734 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.177 7.022 -11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.242 7.448 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.243 6.085 -9.742 1.00 0.00 H new ATOM 336 N CYS A 27 0.838 8.983 -2.797 1.00 0.00 N ATOM 337 CA CYS A 27 1.212 9.503 -1.492 1.00 0.00 C ATOM 338 C CYS A 27 2.736 9.590 -1.392 1.00 0.00 C ATOM 339 O CYS A 27 3.445 9.380 -2.375 1.00 0.00 O ATOM 340 CB CYS A 27 0.626 8.593 -0.408 1.00 0.00 C ATOM 341 SG CYS A 27 0.624 9.450 1.190 1.00 0.00 S ATOM 0 H CYS A 27 0.533 8.010 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 27 0.812 10.507 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.390 8.303 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.211 7.676 -0.337 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.369 9.022 1.911 1.00 0.00 H new ATOM 347 N ASP A 28 3.245 9.904 -0.202 1.00 0.00 N ATOM 348 CA ASP A 28 4.677 10.050 0.022 1.00 0.00 C ATOM 349 C ASP A 28 5.296 8.689 0.366 1.00 0.00 C ATOM 350 O ASP A 28 4.637 7.869 1.005 1.00 0.00 O ATOM 351 CB ASP A 28 4.891 11.081 1.128 1.00 0.00 C ATOM 352 CG ASP A 28 6.354 11.494 1.243 1.00 0.00 C ATOM 353 OD1 ASP A 28 7.088 10.792 1.969 1.00 0.00 O ATOM 354 OD2 ASP A 28 6.725 12.505 0.606 1.00 0.00 O ATOM 0 H ASP A 28 2.676 10.063 0.630 1.00 0.00 H new ATOM 0 HA ASP A 28 5.176 10.404 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.280 11.961 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.554 10.669 2.079 1.00 0.00 H new ATOM 359 N PRO A 29 6.550 8.419 -0.033 1.00 0.00 N ATOM 360 CA PRO A 29 7.196 7.136 0.190 1.00 0.00 C ATOM 361 C PRO A 29 7.285 6.785 1.666 1.00 0.00 C ATOM 362 O PRO A 29 7.314 5.611 2.035 1.00 0.00 O ATOM 363 CB PRO A 29 8.605 7.305 -0.365 1.00 0.00 C ATOM 364 CG PRO A 29 8.425 8.359 -1.453 1.00 0.00 C ATOM 365 CD PRO A 29 7.443 9.299 -0.760 1.00 0.00 C ATOM 0 HA PRO A 29 6.630 6.335 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.304 7.635 0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.994 6.370 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.361 8.853 -1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.020 7.940 -2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.958 9.986 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.899 9.908 -1.482 1.00 0.00 H new ATOM 373 N LYS A 30 7.333 7.813 2.512 1.00 0.00 N ATOM 374 CA LYS A 30 7.479 7.623 3.938 1.00 0.00 C ATOM 375 C LYS A 30 6.164 7.145 4.548 1.00 0.00 C ATOM 376 O LYS A 30 6.158 6.610 5.657 1.00 0.00 O ATOM 377 CB LYS A 30 7.935 8.941 4.562 1.00 0.00 C ATOM 378 CG LYS A 30 9.449 9.119 4.530 1.00 0.00 C ATOM 379 CD LYS A 30 10.023 9.146 3.116 1.00 0.00 C ATOM 380 CE LYS A 30 11.502 9.461 3.285 1.00 0.00 C ATOM 381 NZ LYS A 30 12.198 9.536 1.987 1.00 0.00 N ATOM 0 H LYS A 30 7.272 8.789 2.223 1.00 0.00 H new ATOM 0 HA LYS A 30 8.227 6.856 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.465 9.770 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.590 8.987 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.710 10.047 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.915 8.308 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.880 8.188 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.528 9.901 2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.614 10.408 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.968 8.694 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.203 9.752 2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.113 8.624 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.769 10.285 1.406 1.00 0.00 H new ATOM 395 N VAL A 31 5.049 7.329 3.832 1.00 0.00 N ATOM 396 CA VAL A 31 3.752 6.804 4.248 1.00 0.00 C ATOM 397 C VAL A 31 3.603 5.376 3.729 1.00 0.00 C ATOM 398 O VAL A 31 2.932 4.558 4.354 1.00 0.00 O ATOM 399 CB VAL A 31 2.632 7.706 3.722 1.00 0.00 C ATOM 400 CG1 VAL A 31 1.258 7.154 4.113 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.775 9.112 4.310 1.00 0.00 C ATOM 0 H VAL A 31 5.024 7.844 2.952 1.00 0.00 H new ATOM 0 HA VAL A 31 3.685 6.789 5.336 1.00 0.00 H new ATOM 0 HB VAL A 31 2.712 7.740 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.479 7.812 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.133 6.157 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.183 7.100 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.975 9.748 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.713 9.060 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.739 9.531 4.021 1.00 0.00 H new ATOM 411 N SER A 32 4.228 5.063 2.592 1.00 0.00 N ATOM 412 CA SER A 32 4.200 3.714 2.048 1.00 0.00 C ATOM 413 C SER A 32 4.905 2.756 3.003 1.00 0.00 C ATOM 414 O SER A 32 4.519 1.596 3.129 1.00 0.00 O ATOM 415 CB SER A 32 4.905 3.703 0.694 1.00 0.00 C ATOM 416 OG SER A 32 4.355 4.681 -0.160 1.00 0.00 O ATOM 0 H SER A 32 4.759 5.731 2.033 1.00 0.00 H new ATOM 0 HA SER A 32 3.166 3.394 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.970 3.890 0.831 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.810 2.718 0.237 1.00 0.00 H new ATOM 0 HG SER A 32 3.556 4.321 -0.598 1.00 0.00 H new ATOM 422 N ARG A 33 5.947 3.249 3.685 1.00 0.00 N ATOM 423 CA ARG A 33 6.701 2.494 4.678 1.00 0.00 C ATOM 424 C ARG A 33 5.826 2.162 5.880 1.00 0.00 C ATOM 425 O ARG A 33 6.030 1.140 6.525 1.00 0.00 O ATOM 426 CB ARG A 33 7.895 3.364 5.091 1.00 0.00 C ATOM 427 CG ARG A 33 8.700 2.768 6.246 1.00 0.00 C ATOM 428 CD ARG A 33 9.857 3.698 6.612 1.00 0.00 C ATOM 429 NE ARG A 33 9.368 4.997 7.090 1.00 0.00 N ATOM 430 CZ ARG A 33 10.155 6.032 7.391 1.00 0.00 C ATOM 431 NH1 ARG A 33 11.477 5.938 7.272 1.00 0.00 N ATOM 432 NH2 ARG A 33 9.617 7.174 7.815 1.00 0.00 N ATOM 0 H ARG A 33 6.291 4.201 3.555 1.00 0.00 H new ATOM 0 HA ARG A 33 7.044 1.545 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.551 3.502 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.535 4.352 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.054 2.619 7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.085 1.788 5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.471 3.232 7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.497 3.846 5.742 1.00 0.00 H new ATOM 0 HE ARG A 33 8.361 5.116 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.899 5.068 6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.068 6.736 7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.605 7.257 7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.217 7.966 8.045 1.00 0.00 H new ATOM 446 N LYS A 34 4.852 3.026 6.178 1.00 0.00 N ATOM 447 CA LYS A 34 3.970 2.865 7.324 1.00 0.00 C ATOM 448 C LYS A 34 2.872 1.848 7.022 1.00 0.00 C ATOM 449 O LYS A 34 2.515 1.049 7.885 1.00 0.00 O ATOM 450 CB LYS A 34 3.367 4.233 7.652 1.00 0.00 C ATOM 451 CG LYS A 34 2.566 4.196 8.951 1.00 0.00 C ATOM 452 CD LYS A 34 1.863 5.537 9.156 1.00 0.00 C ATOM 453 CE LYS A 34 0.642 5.663 8.243 1.00 0.00 C ATOM 454 NZ LYS A 34 -0.063 6.934 8.487 1.00 0.00 N ATOM 0 H LYS A 34 4.657 3.860 5.624 1.00 0.00 H new ATOM 0 HA LYS A 34 4.532 2.490 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.164 4.972 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.721 4.552 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.832 3.391 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.227 3.988 9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.554 5.634 10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.559 6.351 8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.955 5.609 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.035 4.827 8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.888 7.000 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.379 6.971 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.580 7.729 8.299 1.00 0.00 H new ATOM 468 N TYR A 35 2.342 1.877 5.797 1.00 0.00 N ATOM 469 CA TYR A 35 1.294 0.963 5.357 1.00 0.00 C ATOM 470 C TYR A 35 1.882 -0.358 4.865 1.00 0.00 C ATOM 471 O TYR A 35 1.167 -1.179 4.303 1.00 0.00 O ATOM 472 CB TYR A 35 0.438 1.634 4.281 1.00 0.00 C ATOM 473 CG TYR A 35 -0.612 2.574 4.825 1.00 0.00 C ATOM 474 CD1 TYR A 35 -0.275 3.880 5.215 1.00 0.00 C ATOM 475 CD2 TYR A 35 -1.940 2.132 4.935 1.00 0.00 C ATOM 476 CE1 TYR A 35 -1.267 4.751 5.685 1.00 0.00 C ATOM 477 CE2 TYR A 35 -2.932 2.992 5.425 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.600 4.308 5.804 1.00 0.00 C ATOM 479 OH TYR A 35 -3.557 5.148 6.287 1.00 0.00 O ATOM 0 H TYR A 35 2.633 2.542 5.080 1.00 0.00 H new ATOM 0 HA TYR A 35 0.655 0.727 6.208 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.091 2.187 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.053 0.862 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.750 4.214 5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.198 1.125 4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.010 5.764 5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.951 2.646 5.512 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.421 4.685 6.303 1.00 0.00 H new ATOM 489 N LEU A 36 3.180 -0.583 5.064 1.00 0.00 N ATOM 490 CA LEU A 36 3.793 -1.882 4.831 1.00 0.00 C ATOM 491 C LEU A 36 4.278 -2.452 6.164 1.00 0.00 C ATOM 492 O LEU A 36 4.629 -3.625 6.249 1.00 0.00 O ATOM 493 CB LEU A 36 4.946 -1.724 3.834 1.00 0.00 C ATOM 494 CG LEU A 36 4.444 -1.508 2.406 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.577 -0.981 1.528 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.968 -2.836 1.820 1.00 0.00 C ATOM 0 H LEU A 36 3.832 0.131 5.390 1.00 0.00 H new ATOM 0 HA LEU A 36 3.069 -2.577 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.569 -0.880 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.577 -2.612 3.866 1.00 0.00 H new ATOM 0 HG LEU A 36 3.625 -0.789 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.210 -0.830 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.937 -0.033 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.393 -1.703 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.611 -2.678 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.795 -3.546 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.158 -3.234 2.431 1.00 0.00 H new ATOM 508 N GLN A 37 4.287 -1.616 7.204 1.00 0.00 N ATOM 509 CA GLN A 37 4.760 -1.977 8.534 1.00 0.00 C ATOM 510 C GLN A 37 3.605 -2.476 9.399 1.00 0.00 C ATOM 511 O GLN A 37 3.783 -2.769 10.579 1.00 0.00 O ATOM 512 CB GLN A 37 5.467 -0.772 9.152 1.00 0.00 C ATOM 513 CG GLN A 37 6.962 -1.040 9.135 1.00 0.00 C ATOM 514 CD GLN A 37 7.777 0.239 9.191 1.00 0.00 C ATOM 515 OE1 GLN A 37 7.301 1.298 9.595 1.00 0.00 O ATOM 516 NE2 GLN A 37 9.034 0.140 8.773 1.00 0.00 N ATOM 0 H GLN A 37 3.959 -0.652 7.140 1.00 0.00 H new ATOM 0 HA GLN A 37 5.475 -2.797 8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.237 0.133 8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.121 -0.611 10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.225 -1.673 9.982 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.220 -1.593 8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.393 -0.756 8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.640 0.960 8.780 1.00 0.00 H new ATOM 525 N ARG A 38 2.422 -2.567 8.787 1.00 0.00 N ATOM 526 CA ARG A 38 1.197 -3.004 9.435 1.00 0.00 C ATOM 527 C ARG A 38 0.473 -4.037 8.569 1.00 0.00 C ATOM 528 O ARG A 38 -0.663 -4.402 8.862 1.00 0.00 O ATOM 529 CB ARG A 38 0.352 -1.762 9.753 1.00 0.00 C ATOM 530 CG ARG A 38 -0.055 -0.978 8.507 1.00 0.00 C ATOM 531 CD ARG A 38 -0.588 0.402 8.892 1.00 0.00 C ATOM 532 NE ARG A 38 -1.755 0.293 9.774 1.00 0.00 N ATOM 533 CZ ARG A 38 -1.778 0.640 11.064 1.00 0.00 C ATOM 534 NH1 ARG A 38 -0.697 1.144 11.657 1.00 0.00 N ATOM 535 NH2 ARG A 38 -2.890 0.485 11.775 1.00 0.00 N ATOM 0 H ARG A 38 2.293 -2.332 7.803 1.00 0.00 H new ATOM 0 HA ARG A 38 1.408 -3.512 10.376 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.545 -2.068 10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.915 -1.108 10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.802 -0.871 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.818 -1.529 7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.196 0.971 9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.859 0.954 7.992 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.616 -0.077 9.371 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.164 1.270 11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.731 1.404 12.643 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.727 0.101 11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.907 0.750 12.760 1.00 0.00 H new ATOM 549 N ASN A 39 1.136 -4.501 7.500 1.00 0.00 N ATOM 550 CA ASN A 39 0.589 -5.451 6.541 1.00 0.00 C ATOM 551 C ASN A 39 1.647 -6.459 6.083 1.00 0.00 C ATOM 552 O ASN A 39 1.572 -6.974 4.968 1.00 0.00 O ATOM 553 CB ASN A 39 0.011 -4.679 5.356 1.00 0.00 C ATOM 554 CG ASN A 39 -1.028 -3.667 5.818 1.00 0.00 C ATOM 555 OD1 ASN A 39 -2.123 -4.024 6.240 1.00 0.00 O ATOM 556 ND2 ASN A 39 -0.671 -2.392 5.737 1.00 0.00 N ATOM 0 H ASN A 39 2.090 -4.215 7.280 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.203 -6.026 7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.813 -4.166 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.443 -5.375 4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.318 -1.661 6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.251 -2.142 5.379 1.00 0.00 H new ATOM 563 N HIS A 40 2.632 -6.743 6.942 1.00 0.00 N ATOM 564 CA HIS A 40 3.668 -7.738 6.689 1.00 0.00 C ATOM 565 C HIS A 40 4.467 -7.478 5.412 1.00 0.00 C ATOM 566 O HIS A 40 4.984 -8.409 4.798 1.00 0.00 O ATOM 567 CB HIS A 40 3.053 -9.139 6.729 1.00 0.00 C ATOM 568 CG HIS A 40 2.030 -9.288 7.825 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.261 -9.067 9.186 1.00 0.00 N ATOM 570 CD2 HIS A 40 0.726 -9.641 7.640 1.00 0.00 C ATOM 571 CE1 HIS A 40 1.081 -9.283 9.786 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.143 -9.634 8.887 1.00 0.00 N ATOM 0 H HIS A 40 2.729 -6.278 7.845 1.00 0.00 H new ATOM 0 HA HIS A 40 4.407 -7.659 7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.586 -9.355 5.768 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.844 -9.876 6.872 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.246 -9.879 6.702 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.907 -9.188 10.848 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.831 -9.856 9.094 1.00 0.00 H new ATOM 580 N TRP A 41 4.564 -6.205 5.016 1.00 0.00 N ATOM 581 CA TRP A 41 5.284 -5.776 3.826 1.00 0.00 C ATOM 582 C TRP A 41 4.822 -6.468 2.541 1.00 0.00 C ATOM 583 O TRP A 41 5.587 -6.577 1.583 1.00 0.00 O ATOM 584 CB TRP A 41 6.798 -5.823 4.064 1.00 0.00 C ATOM 585 CG TRP A 41 7.278 -4.781 5.016 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.306 -4.859 6.362 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.800 -3.468 4.688 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.751 -3.658 6.883 1.00 0.00 N ATOM 589 CE2 TRP A 41 8.016 -2.737 5.888 1.00 0.00 C ATOM 590 CE3 TRP A 41 8.055 -2.823 3.471 1.00 0.00 C ATOM 591 CZ2 TRP A 41 8.397 -1.388 5.870 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.472 -1.483 3.443 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.631 -0.764 4.639 1.00 0.00 C ATOM 0 H TRP A 41 4.134 -5.434 5.527 1.00 0.00 H new ATOM 0 HA TRP A 41 5.028 -4.732 3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.068 -6.807 4.447 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.313 -5.699 3.111 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.025 -5.725 6.943 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.869 -3.475 7.879 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.929 -3.363 2.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.508 -0.838 6.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.672 -1.002 2.497 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.934 0.272 4.609 1.00 0.00 H new ATOM 604 N ASN A 42 3.568 -6.935 2.505 1.00 0.00 N ATOM 605 CA ASN A 42 2.954 -7.441 1.295 1.00 0.00 C ATOM 606 C ASN A 42 2.214 -6.302 0.610 1.00 0.00 C ATOM 607 O ASN A 42 1.310 -5.717 1.201 1.00 0.00 O ATOM 608 CB ASN A 42 1.977 -8.560 1.652 1.00 0.00 C ATOM 609 CG ASN A 42 2.686 -9.866 1.968 1.00 0.00 C ATOM 610 OD1 ASN A 42 3.013 -10.147 3.117 1.00 0.00 O ATOM 611 ND2 ASN A 42 2.926 -10.675 0.939 1.00 0.00 N ATOM 0 H ASN A 42 2.958 -6.968 3.322 1.00 0.00 H new ATOM 0 HA ASN A 42 3.715 -7.838 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.379 -8.257 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.287 -8.715 0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.398 -11.566 1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.638 -10.404 -0.001 1.00 0.00 H new ATOM 618 N ILE A 43 2.578 -5.972 -0.633 1.00 0.00 N ATOM 619 CA ILE A 43 1.891 -4.904 -1.355 1.00 0.00 C ATOM 620 C ILE A 43 0.475 -5.337 -1.729 1.00 0.00 C ATOM 621 O ILE A 43 -0.359 -4.499 -2.070 1.00 0.00 O ATOM 622 CB ILE A 43 2.746 -4.465 -2.554 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.755 -3.413 -2.073 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.911 -3.883 -3.699 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.092 -2.082 -1.767 1.00 0.00 C ATOM 0 H ILE A 43 3.332 -6.422 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 43 1.771 -4.028 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 43 3.249 -5.349 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.261 -3.779 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.520 -3.269 -2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.569 -3.591 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.204 -4.634 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.365 -3.010 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.845 -1.369 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.608 -1.701 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.346 -2.219 -0.984 1.00 0.00 H new ATOM 637 N ASN A 44 0.189 -6.639 -1.664 1.00 0.00 N ATOM 638 CA ASN A 44 -1.135 -7.144 -1.992 1.00 0.00 C ATOM 639 C ASN A 44 -2.052 -7.107 -0.770 1.00 0.00 C ATOM 640 O ASN A 44 -3.219 -7.482 -0.858 1.00 0.00 O ATOM 641 CB ASN A 44 -1.003 -8.561 -2.553 1.00 0.00 C ATOM 642 CG ASN A 44 -0.173 -8.592 -3.830 1.00 0.00 C ATOM 643 OD1 ASN A 44 -0.119 -7.616 -4.576 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.482 -9.718 -4.094 1.00 0.00 N ATOM 0 H ASN A 44 0.858 -7.357 -1.387 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.591 -6.506 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.542 -9.206 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.995 -8.965 -2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.051 -9.791 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.415 -10.509 -3.453 1.00 0.00 H new ATOM 651 N TYR A 45 -1.521 -6.652 0.367 1.00 0.00 N ATOM 652 CA TYR A 45 -2.242 -6.531 1.622 1.00 0.00 C ATOM 653 C TYR A 45 -2.061 -5.129 2.202 1.00 0.00 C ATOM 654 O TYR A 45 -2.673 -4.790 3.213 1.00 0.00 O ATOM 655 CB TYR A 45 -1.692 -7.595 2.569 1.00 0.00 C ATOM 656 CG TYR A 45 -2.200 -8.988 2.269 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.408 -9.425 2.831 1.00 0.00 C ATOM 658 CD2 TYR A 45 -1.471 -9.837 1.427 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.883 -10.718 2.561 1.00 0.00 C ATOM 660 CE2 TYR A 45 -1.936 -11.133 1.151 1.00 0.00 C ATOM 661 CZ TYR A 45 -3.146 -11.578 1.719 1.00 0.00 C ATOM 662 OH TYR A 45 -3.601 -12.835 1.454 1.00 0.00 O ATOM 0 H TYR A 45 -0.549 -6.351 0.435 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.311 -6.682 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.603 -7.593 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.958 -7.332 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.974 -8.766 3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.546 -9.493 0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.812 -11.054 2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.368 -11.786 0.505 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.973 -13.291 0.856 1.00 0.00 H new ATOM 672 N ALA A 46 -1.219 -4.314 1.562 1.00 0.00 N ATOM 673 CA ALA A 46 -0.882 -2.980 2.024 1.00 0.00 C ATOM 674 C ALA A 46 -1.628 -1.906 1.241 1.00 0.00 C ATOM 675 O ALA A 46 -1.923 -0.843 1.782 1.00 0.00 O ATOM 676 CB ALA A 46 0.617 -2.811 1.835 1.00 0.00 C ATOM 0 H ALA A 46 -0.749 -4.574 0.695 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.171 -2.867 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.916 -1.818 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.145 -3.566 2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.866 -2.928 0.780 1.00 0.00 H new ATOM 682 N LEU A 47 -1.934 -2.175 -0.030 1.00 0.00 N ATOM 683 CA LEU A 47 -2.638 -1.212 -0.858 1.00 0.00 C ATOM 684 C LEU A 47 -4.102 -1.131 -0.443 1.00 0.00 C ATOM 685 O LEU A 47 -4.706 -0.067 -0.524 1.00 0.00 O ATOM 686 CB LEU A 47 -2.500 -1.626 -2.325 1.00 0.00 C ATOM 687 CG LEU A 47 -1.083 -1.405 -2.858 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.020 -1.922 -4.290 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.706 0.076 -2.866 1.00 0.00 C ATOM 0 H LEU A 47 -1.704 -3.050 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.204 -0.221 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.766 -2.678 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.206 -1.057 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.387 -1.934 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.016 -1.773 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.261 -2.985 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.738 -1.379 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.307 0.191 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.401 0.625 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.755 0.469 -1.851 1.00 0.00 H new ATOM 701 N ASN A 48 -4.680 -2.250 0.002 1.00 0.00 N ATOM 702 CA ASN A 48 -6.073 -2.289 0.427 1.00 0.00 C ATOM 703 C ASN A 48 -6.240 -1.499 1.713 1.00 0.00 C ATOM 704 O ASN A 48 -7.260 -0.849 1.917 1.00 0.00 O ATOM 705 CB ASN A 48 -6.510 -3.738 0.648 1.00 0.00 C ATOM 706 CG ASN A 48 -5.969 -4.632 -0.448 1.00 0.00 C ATOM 707 OD1 ASN A 48 -6.627 -4.889 -1.451 1.00 0.00 O ATOM 708 ND2 ASN A 48 -4.746 -5.106 -0.245 1.00 0.00 N ATOM 0 H ASN A 48 -4.196 -3.145 0.076 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.695 -1.845 -0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.154 -4.087 1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.598 -3.796 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.313 -5.714 -0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.240 -4.863 0.606 1.00 0.00 H new ATOM 715 N ASP A 49 -5.226 -1.557 2.579 1.00 0.00 N ATOM 716 CA ASP A 49 -5.228 -0.811 3.833 1.00 0.00 C ATOM 717 C ASP A 49 -5.265 0.687 3.552 1.00 0.00 C ATOM 718 O ASP A 49 -5.799 1.463 4.341 1.00 0.00 O ATOM 719 CB ASP A 49 -3.954 -1.180 4.600 1.00 0.00 C ATOM 720 CG ASP A 49 -3.977 -0.746 6.064 1.00 0.00 C ATOM 721 OD1 ASP A 49 -5.084 -0.695 6.647 1.00 0.00 O ATOM 722 OD2 ASP A 49 -2.878 -0.472 6.595 1.00 0.00 O ATOM 0 H ASP A 49 -4.388 -2.119 2.430 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.109 -1.062 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.810 -2.259 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.097 -0.722 4.107 1.00 0.00 H new ATOM 727 N TYR A 50 -4.695 1.087 2.415 1.00 0.00 N ATOM 728 CA TYR A 50 -4.697 2.473 1.984 1.00 0.00 C ATOM 729 C TYR A 50 -5.987 2.803 1.233 1.00 0.00 C ATOM 730 O TYR A 50 -6.491 3.923 1.316 1.00 0.00 O ATOM 731 CB TYR A 50 -3.465 2.699 1.113 1.00 0.00 C ATOM 732 CG TYR A 50 -3.296 4.126 0.656 1.00 0.00 C ATOM 733 CD1 TYR A 50 -2.604 5.047 1.460 1.00 0.00 C ATOM 734 CD2 TYR A 50 -3.834 4.528 -0.574 1.00 0.00 C ATOM 735 CE1 TYR A 50 -2.451 6.374 1.027 1.00 0.00 C ATOM 736 CE2 TYR A 50 -3.687 5.852 -1.011 1.00 0.00 C ATOM 737 CZ TYR A 50 -2.997 6.781 -0.208 1.00 0.00 C ATOM 738 OH TYR A 50 -2.853 8.071 -0.622 1.00 0.00 O ATOM 0 H TYR A 50 -4.220 0.454 1.771 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.658 3.139 2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.578 2.398 1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.527 2.052 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.191 4.735 2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.364 3.815 -1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.915 7.083 1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.101 6.159 -1.960 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.286 8.185 -1.494 1.00 0.00 H new ATOM 748 N TYR A 51 -6.530 1.830 0.499 1.00 0.00 N ATOM 749 CA TYR A 51 -7.793 1.993 -0.209 1.00 0.00 C ATOM 750 C TYR A 51 -8.990 1.888 0.739 1.00 0.00 C ATOM 751 O TYR A 51 -10.126 2.124 0.332 1.00 0.00 O ATOM 752 CB TYR A 51 -7.894 0.947 -1.324 1.00 0.00 C ATOM 753 CG TYR A 51 -6.799 1.056 -2.364 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.339 2.322 -2.753 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.244 -0.101 -2.930 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.323 2.442 -3.711 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.235 0.012 -3.898 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.771 1.282 -4.293 1.00 0.00 C ATOM 759 OH TYR A 51 -3.794 1.385 -5.239 1.00 0.00 O ATOM 0 H TYR A 51 -6.105 0.910 0.381 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.815 2.991 -0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.863 -0.048 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.861 1.046 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.770 3.209 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.592 -1.076 -2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.964 3.418 -4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.813 -0.877 -4.342 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.527 0.489 -5.532 1.00 0.00 H new ATOM 769 N ASP A 52 -8.741 1.537 2.003 1.00 0.00 N ATOM 770 CA ASP A 52 -9.768 1.458 3.024 1.00 0.00 C ATOM 771 C ASP A 52 -9.766 2.705 3.901 1.00 0.00 C ATOM 772 O ASP A 52 -10.798 3.058 4.468 1.00 0.00 O ATOM 773 CB ASP A 52 -9.457 0.254 3.911 1.00 0.00 C ATOM 774 CG ASP A 52 -9.790 -1.087 3.254 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.536 -1.089 2.249 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.291 -2.112 3.775 1.00 0.00 O ATOM 0 H ASP A 52 -7.809 1.299 2.342 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.742 1.368 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.399 0.269 4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.017 0.343 4.842 1.00 0.00 H new ATOM 781 N LYS A 53 -8.609 3.368 4.013 1.00 0.00 N ATOM 782 CA LYS A 53 -8.426 4.433 4.991 1.00 0.00 C ATOM 783 C LYS A 53 -7.950 5.762 4.399 1.00 0.00 C ATOM 784 O LYS A 53 -7.958 6.771 5.101 1.00 0.00 O ATOM 785 CB LYS A 53 -7.447 3.916 6.036 1.00 0.00 C ATOM 786 CG LYS A 53 -8.025 2.677 6.723 1.00 0.00 C ATOM 787 CD LYS A 53 -6.968 2.089 7.645 1.00 0.00 C ATOM 788 CE LYS A 53 -7.506 0.804 8.271 1.00 0.00 C ATOM 789 NZ LYS A 53 -6.436 0.068 8.968 1.00 0.00 N ATOM 0 H LYS A 53 -7.789 3.182 3.436 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.397 4.670 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.495 3.671 5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.247 4.692 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.916 2.942 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.329 1.940 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.056 1.881 7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.708 2.806 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.304 1.044 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.942 0.173 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.852 -0.706 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.773 -0.325 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.926 0.715 9.603 1.00 0.00 H new ATOM 803 N GLU A 54 -7.540 5.783 3.129 1.00 0.00 N ATOM 804 CA GLU A 54 -7.027 6.992 2.489 1.00 0.00 C ATOM 805 C GLU A 54 -7.555 7.147 1.064 1.00 0.00 C ATOM 806 O GLU A 54 -7.053 7.983 0.311 1.00 0.00 O ATOM 807 CB GLU A 54 -5.494 6.959 2.458 1.00 0.00 C ATOM 808 CG GLU A 54 -4.863 6.941 3.853 1.00 0.00 C ATOM 809 CD GLU A 54 -5.179 8.205 4.655 1.00 0.00 C ATOM 810 OE1 GLU A 54 -5.404 9.262 4.023 1.00 0.00 O ATOM 811 OE2 GLU A 54 -5.193 8.110 5.901 1.00 0.00 O ATOM 0 H GLU A 54 -7.555 4.965 2.519 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.372 7.844 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.167 6.077 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.129 7.829 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.222 6.069 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.782 6.835 3.758 1.00 0.00 H new ATOM 818 N ILE A 55 -8.561 6.360 0.669 1.00 0.00 N ATOM 819 CA ILE A 55 -9.066 6.385 -0.693 1.00 0.00 C ATOM 820 C ILE A 55 -9.700 7.741 -1.014 1.00 0.00 C ATOM 821 O ILE A 55 -10.311 8.371 -0.151 1.00 0.00 O ATOM 822 CB ILE A 55 -10.025 5.209 -0.904 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.375 5.089 -2.388 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.275 5.357 -0.034 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.194 3.832 -2.680 1.00 0.00 C ATOM 0 H ILE A 55 -9.038 5.698 1.281 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.241 6.265 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.533 4.287 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.937 5.969 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.458 5.070 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.939 4.509 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.986 5.387 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.792 6.280 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.421 3.785 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.622 2.950 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.124 3.863 -2.112 1.00 0.00 H new ATOM 837 N GLY A 56 -9.553 8.190 -2.265 1.00 0.00 N ATOM 838 CA GLY A 56 -10.017 9.501 -2.706 1.00 0.00 C ATOM 839 C GLY A 56 -11.473 9.508 -3.167 1.00 0.00 C ATOM 840 O GLY A 56 -11.982 10.562 -3.545 1.00 0.00 O ATOM 0 H GLY A 56 -9.105 7.646 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.899 10.213 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.384 9.846 -3.523 1.00 0.00 H new ATOM 844 N THR A 57 -12.146 8.356 -3.144 1.00 0.00 N ATOM 845 CA THR A 57 -13.518 8.242 -3.625 1.00 0.00 C ATOM 846 C THR A 57 -14.228 7.081 -2.934 1.00 0.00 C ATOM 847 O THR A 57 -13.583 6.229 -2.324 1.00 0.00 O ATOM 848 CB THR A 57 -13.521 8.058 -5.145 1.00 0.00 C ATOM 849 OG1 THR A 57 -14.846 8.079 -5.626 1.00 0.00 O ATOM 850 CG2 THR A 57 -12.868 6.738 -5.559 1.00 0.00 C ATOM 0 H THR A 57 -11.755 7.482 -2.793 1.00 0.00 H new ATOM 0 HA THR A 57 -14.058 9.158 -3.385 1.00 0.00 H new ATOM 0 HB THR A 57 -12.945 8.878 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.843 7.963 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.890 6.646 -6.645 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.834 6.720 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.414 5.906 -5.113 1.00 0.00 H new ATOM 858 N PHE A 58 -15.559 7.046 -3.029 1.00 0.00 N ATOM 859 CA PHE A 58 -16.355 6.002 -2.398 1.00 0.00 C ATOM 860 C PHE A 58 -17.520 5.541 -3.276 1.00 0.00 C ATOM 861 O PHE A 58 -18.289 4.659 -2.892 1.00 0.00 O ATOM 862 CB PHE A 58 -16.849 6.526 -1.055 1.00 0.00 C ATOM 863 CG PHE A 58 -17.380 5.428 -0.173 1.00 0.00 C ATOM 864 CD1 PHE A 58 -16.480 4.613 0.522 1.00 0.00 C ATOM 865 CD2 PHE A 58 -18.758 5.221 -0.058 1.00 0.00 C ATOM 866 CE1 PHE A 58 -16.960 3.587 1.345 1.00 0.00 C ATOM 867 CE2 PHE A 58 -19.241 4.197 0.771 1.00 0.00 C ATOM 868 CZ PHE A 58 -18.341 3.382 1.475 1.00 0.00 C ATOM 0 H PHE A 58 -16.107 7.736 -3.542 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.730 5.121 -2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -16.032 7.036 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.632 7.265 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.417 4.775 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -19.448 5.847 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -16.267 2.954 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -20.305 4.036 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 58 -18.712 2.597 2.117 1.00 0.00 H new ATOM 878 N THR A 59 -17.651 6.139 -4.459 1.00 0.00 N ATOM 879 CA THR A 59 -18.719 5.843 -5.407 1.00 0.00 C ATOM 880 C THR A 59 -18.147 5.360 -6.735 1.00 0.00 C ATOM 881 O THR A 59 -16.968 5.563 -7.024 1.00 0.00 O ATOM 882 CB THR A 59 -19.615 7.069 -5.608 1.00 0.00 C ATOM 883 OG1 THR A 59 -18.854 8.168 -6.067 1.00 0.00 O ATOM 884 CG2 THR A 59 -20.294 7.455 -4.295 1.00 0.00 C ATOM 0 H THR A 59 -17.005 6.856 -4.790 1.00 0.00 H new ATOM 0 HA THR A 59 -19.330 5.040 -4.995 1.00 0.00 H new ATOM 0 HB THR A 59 -20.371 6.813 -6.350 1.00 0.00 H new ATOM 0 HG1 THR A 59 -19.441 8.943 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.927 8.328 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 59 -20.905 6.624 -3.943 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.535 7.689 -3.548 1.00 0.00 H new ATOM 892 N ASP A 60 -18.989 4.717 -7.548 1.00 0.00 N ATOM 893 CA ASP A 60 -18.596 4.165 -8.837 1.00 0.00 C ATOM 894 C ASP A 60 -19.496 4.669 -9.966 1.00 0.00 C ATOM 895 O ASP A 60 -19.438 4.149 -11.081 1.00 0.00 O ATOM 896 CB ASP A 60 -18.612 2.639 -8.756 1.00 0.00 C ATOM 897 CG ASP A 60 -17.599 2.117 -7.738 1.00 0.00 C ATOM 898 OD1 ASP A 60 -16.400 2.062 -8.091 1.00 0.00 O ATOM 899 OD2 ASP A 60 -18.034 1.780 -6.614 1.00 0.00 O ATOM 0 H ASP A 60 -19.972 4.566 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.586 4.502 -9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -19.611 2.299 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.391 2.220 -9.738 1.00 0.00 H new ATOM 904 N GLU A 61 -20.329 5.676 -9.692 1.00 0.00 N ATOM 905 CA GLU A 61 -21.216 6.246 -10.691 1.00 0.00 C ATOM 906 C GLU A 61 -21.376 7.748 -10.458 1.00 0.00 C ATOM 907 O GLU A 61 -21.272 8.217 -9.323 1.00 0.00 O ATOM 908 CB GLU A 61 -22.563 5.520 -10.632 1.00 0.00 C ATOM 909 CG GLU A 61 -23.495 5.963 -11.756 1.00 0.00 C ATOM 910 CD GLU A 61 -24.783 5.143 -11.750 1.00 0.00 C ATOM 911 OE1 GLU A 61 -25.722 5.543 -11.026 1.00 0.00 O ATOM 912 OE2 GLU A 61 -24.825 4.118 -12.469 1.00 0.00 O ATOM 0 H GLU A 61 -20.402 6.113 -8.773 1.00 0.00 H new ATOM 0 HA GLU A 61 -20.793 6.114 -11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -22.399 4.444 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -23.037 5.712 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -23.732 7.021 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -22.992 5.851 -12.717 1.00 0.00 H new ATOM 919 N VAL A 62 -21.631 8.502 -11.533 1.00 0.00 N ATOM 920 CA VAL A 62 -21.788 9.952 -11.482 1.00 0.00 C ATOM 921 C VAL A 62 -22.975 10.367 -12.346 1.00 0.00 C ATOM 922 O VAL A 62 -23.890 11.014 -11.789 1.00 0.00 O ATOM 923 CB VAL A 62 -20.503 10.645 -11.953 1.00 0.00 C ATOM 924 CG1 VAL A 62 -20.668 12.163 -11.883 1.00 0.00 C ATOM 925 CG2 VAL A 62 -19.317 10.255 -11.064 1.00 0.00 C ATOM 0 H VAL A 62 -21.734 8.114 -12.471 1.00 0.00 H new ATOM 0 HA VAL A 62 -21.977 10.258 -10.453 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.314 10.329 -12.979 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.750 12.645 -12.220 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -21.495 12.469 -12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -20.877 12.459 -10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.417 10.758 -11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -19.520 10.553 -10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.170 9.176 -11.107 1.00 0.00 H new TER 935 VAL A 62