USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 90:sc= -0.0595 USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -141:sc= 0 (180deg=-0.857) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 0.211 (180deg=0.138) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.0118 USER MOD Single : A 51 THR OG1 : rot 180:sc=0.000467 USER MOD Single : A 52 HIS : no HD1:sc=-0.00967 X(o=-0.0097,f=0) USER MOD Single : A 54 THR OG1 : rot 37:sc= 0.00332 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0.973 (180deg=0.901) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 0.568 (180deg=0.399) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.23) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.000895 X(o=-0.00089,f=-0.24) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 148:sc= -0.0489 (180deg=-1.21) USER MOD Single : A 82 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.784 K(o=0.78,f=0) USER MOD Single : A 91 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.000 6.062 -22.003 1.00 0.00 N ATOM 2 CA GLY A 1 -10.309 5.834 -21.380 1.00 0.00 C ATOM 3 C GLY A 1 -10.840 4.495 -21.836 1.00 0.00 C ATOM 4 O GLY A 1 -11.095 4.293 -23.022 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.625 6.982 -21.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.344 5.308 -21.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.103 6.058 -23.038 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.218 5.854 -20.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.002 6.629 -21.657 1.00 0.00 H new ATOM 8 N SER A 2 -10.954 3.549 -20.914 1.00 0.00 N ATOM 9 CA SER A 2 -10.940 2.129 -21.208 1.00 0.00 C ATOM 10 C SER A 2 -11.893 1.418 -20.245 1.00 0.00 C ATOM 11 O SER A 2 -11.533 1.121 -19.102 1.00 0.00 O ATOM 12 CB SER A 2 -9.483 1.639 -21.153 1.00 0.00 C ATOM 13 OG SER A 2 -8.715 2.314 -20.168 1.00 0.00 O ATOM 0 H SER A 2 -11.061 3.755 -19.921 1.00 0.00 H new ATOM 0 HA SER A 2 -11.303 1.903 -22.210 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.471 0.569 -20.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.019 1.780 -22.129 1.00 0.00 H new ATOM 0 HG SER A 2 -7.799 1.966 -20.172 1.00 0.00 H new ATOM 19 N SER A 3 -13.125 1.196 -20.702 1.00 0.00 N ATOM 20 CA SER A 3 -14.178 0.533 -19.944 1.00 0.00 C ATOM 21 C SER A 3 -13.748 -0.870 -19.500 1.00 0.00 C ATOM 22 O SER A 3 -12.988 -1.537 -20.205 1.00 0.00 O ATOM 23 CB SER A 3 -15.415 0.436 -20.832 1.00 0.00 C ATOM 24 OG SER A 3 -15.959 1.715 -21.142 1.00 0.00 O ATOM 0 H SER A 3 -13.423 1.481 -21.635 1.00 0.00 H new ATOM 0 HA SER A 3 -14.391 1.112 -19.045 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.156 -0.080 -21.757 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.173 -0.167 -20.331 1.00 0.00 H new ATOM 0 HG SER A 3 -16.748 1.605 -21.713 1.00 0.00 H new ATOM 30 N GLY A 4 -14.260 -1.328 -18.361 1.00 0.00 N ATOM 31 CA GLY A 4 -13.832 -2.554 -17.704 1.00 0.00 C ATOM 32 C GLY A 4 -13.407 -2.197 -16.289 1.00 0.00 C ATOM 33 O GLY A 4 -12.612 -1.271 -16.107 1.00 0.00 O ATOM 0 H GLY A 4 -15.003 -0.842 -17.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.643 -3.282 -17.687 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.005 -3.011 -18.248 1.00 0.00 H new ATOM 37 N SER A 5 -13.945 -2.874 -15.275 1.00 0.00 N ATOM 38 CA SER A 5 -13.530 -2.645 -13.894 1.00 0.00 C ATOM 39 C SER A 5 -12.069 -3.068 -13.684 1.00 0.00 C ATOM 40 O SER A 5 -11.345 -2.409 -12.935 1.00 0.00 O ATOM 41 CB SER A 5 -14.495 -3.365 -12.951 1.00 0.00 C ATOM 42 OG SER A 5 -14.293 -2.939 -11.626 1.00 0.00 O ATOM 0 H SER A 5 -14.668 -3.585 -15.385 1.00 0.00 H new ATOM 0 HA SER A 5 -13.573 -1.580 -13.667 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.524 -3.166 -13.251 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.346 -4.442 -13.020 1.00 0.00 H new ATOM 0 HG SER A 5 -14.918 -3.406 -11.033 1.00 0.00 H new ATOM 48 N SER A 6 -11.610 -4.109 -14.392 1.00 0.00 N ATOM 49 CA SER A 6 -10.241 -4.621 -14.398 1.00 0.00 C ATOM 50 C SER A 6 -9.650 -4.725 -12.980 1.00 0.00 C ATOM 51 O SER A 6 -8.484 -4.385 -12.774 1.00 0.00 O ATOM 52 CB SER A 6 -9.402 -3.779 -15.380 1.00 0.00 C ATOM 53 OG SER A 6 -8.259 -4.479 -15.862 1.00 0.00 O ATOM 0 H SER A 6 -12.222 -4.643 -15.009 1.00 0.00 H new ATOM 0 HA SER A 6 -10.230 -5.651 -14.756 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.025 -3.483 -16.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.080 -2.863 -14.885 1.00 0.00 H new ATOM 0 HG SER A 6 -7.761 -3.905 -16.481 1.00 0.00 H new ATOM 59 N GLY A 7 -10.447 -5.181 -12.010 1.00 0.00 N ATOM 60 CA GLY A 7 -10.019 -5.403 -10.637 1.00 0.00 C ATOM 61 C GLY A 7 -9.206 -6.688 -10.588 1.00 0.00 C ATOM 62 O GLY A 7 -9.757 -7.763 -10.330 1.00 0.00 O ATOM 0 H GLY A 7 -11.429 -5.410 -12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.421 -4.562 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.884 -5.476 -9.978 1.00 0.00 H new ATOM 66 N GLU A 8 -7.933 -6.598 -10.945 1.00 0.00 N ATOM 67 CA GLU A 8 -6.935 -7.646 -10.984 1.00 0.00 C ATOM 68 C GLU A 8 -5.593 -6.955 -11.209 1.00 0.00 C ATOM 69 O GLU A 8 -5.368 -6.340 -12.256 1.00 0.00 O ATOM 70 CB GLU A 8 -7.249 -8.671 -12.072 1.00 0.00 C ATOM 71 CG GLU A 8 -7.671 -8.127 -13.449 1.00 0.00 C ATOM 72 CD GLU A 8 -7.147 -9.014 -14.574 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.200 -10.261 -14.472 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.625 -8.455 -15.570 1.00 0.00 O ATOM 0 H GLU A 8 -7.541 -5.704 -11.241 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.918 -8.212 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.367 -9.297 -12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.045 -9.319 -11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.758 -8.070 -13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.292 -7.113 -13.575 1.00 0.00 H new ATOM 81 N TYR A 9 -4.755 -6.944 -10.180 1.00 0.00 N ATOM 82 CA TYR A 9 -3.722 -5.934 -10.056 1.00 0.00 C ATOM 83 C TYR A 9 -2.543 -6.167 -10.997 1.00 0.00 C ATOM 84 O TYR A 9 -2.255 -7.298 -11.388 1.00 0.00 O ATOM 85 CB TYR A 9 -3.239 -5.884 -8.609 1.00 0.00 C ATOM 86 CG TYR A 9 -4.285 -5.487 -7.584 1.00 0.00 C ATOM 87 CD1 TYR A 9 -5.069 -6.472 -6.949 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.407 -4.139 -7.198 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.903 -6.130 -5.871 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.274 -3.783 -6.151 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.000 -4.781 -5.468 1.00 0.00 C ATOM 92 OH TYR A 9 -6.814 -4.423 -4.445 1.00 0.00 O ATOM 0 H TYR A 9 -4.774 -7.625 -9.421 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.162 -4.979 -10.344 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.847 -6.865 -8.341 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.408 -5.181 -8.546 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.028 -7.495 -7.293 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.834 -3.378 -7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.466 -6.894 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.384 -2.746 -5.870 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.317 -4.466 -3.601 1.00 0.00 H new ATOM 102 N LYS A 10 -1.824 -5.094 -11.331 1.00 0.00 N ATOM 103 CA LYS A 10 -0.802 -5.069 -12.377 1.00 0.00 C ATOM 104 C LYS A 10 0.454 -4.395 -11.853 1.00 0.00 C ATOM 105 O LYS A 10 0.369 -3.586 -10.930 1.00 0.00 O ATOM 106 CB LYS A 10 -1.356 -4.307 -13.591 1.00 0.00 C ATOM 107 CG LYS A 10 -2.622 -4.956 -14.167 1.00 0.00 C ATOM 108 CD LYS A 10 -2.324 -6.241 -14.954 1.00 0.00 C ATOM 109 CE LYS A 10 -3.564 -7.128 -15.077 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.727 -6.425 -15.649 1.00 0.00 N ATOM 0 H LYS A 10 -1.941 -4.193 -10.867 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.546 -6.086 -12.675 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.578 -3.280 -13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.591 -4.260 -14.366 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.310 -5.185 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.126 -4.243 -14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.961 -5.983 -15.949 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.527 -6.795 -14.458 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.326 -7.990 -15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.828 -7.511 -14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.477 -7.113 -15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.082 -5.728 -14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.443 -5.938 -16.523 1.00 0.00 H new ATOM 124 N ALA A 11 1.615 -4.732 -12.417 1.00 0.00 N ATOM 125 CA ALA A 11 2.885 -4.204 -11.938 1.00 0.00 C ATOM 126 C ALA A 11 2.867 -2.679 -11.995 1.00 0.00 C ATOM 127 O ALA A 11 2.363 -2.106 -12.962 1.00 0.00 O ATOM 128 CB ALA A 11 4.036 -4.766 -12.770 1.00 0.00 C ATOM 0 H ALA A 11 1.698 -5.370 -13.208 1.00 0.00 H new ATOM 0 HA ALA A 11 3.033 -4.510 -10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.980 -4.364 -12.403 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.048 -5.853 -12.688 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.903 -4.482 -13.814 1.00 0.00 H new ATOM 134 N GLY A 12 3.433 -2.036 -10.976 1.00 0.00 N ATOM 135 CA GLY A 12 3.499 -0.585 -10.885 1.00 0.00 C ATOM 136 C GLY A 12 2.286 0.018 -10.182 1.00 0.00 C ATOM 137 O GLY A 12 2.338 1.196 -9.820 1.00 0.00 O ATOM 0 H GLY A 12 3.862 -2.515 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.404 -0.300 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.578 -0.166 -11.888 1.00 0.00 H new ATOM 141 N ASP A 13 1.210 -0.745 -9.947 1.00 0.00 N ATOM 142 CA ASP A 13 0.166 -0.295 -9.032 1.00 0.00 C ATOM 143 C ASP A 13 0.686 -0.346 -7.597 1.00 0.00 C ATOM 144 O ASP A 13 1.706 -0.976 -7.298 1.00 0.00 O ATOM 145 CB ASP A 13 -1.135 -1.105 -9.154 1.00 0.00 C ATOM 146 CG ASP A 13 -2.304 -0.159 -9.400 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.632 0.657 -8.509 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.942 -0.222 -10.476 1.00 0.00 O ATOM 0 H ASP A 13 1.046 -1.658 -10.371 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.081 0.730 -9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.055 -1.821 -9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.304 -1.680 -8.243 1.00 0.00 H new ATOM 153 N LEU A 14 -0.044 0.288 -6.685 1.00 0.00 N ATOM 154 CA LEU A 14 0.284 0.353 -5.268 1.00 0.00 C ATOM 155 C LEU A 14 -0.911 -0.175 -4.498 1.00 0.00 C ATOM 156 O LEU A 14 -2.051 -0.006 -4.947 1.00 0.00 O ATOM 157 CB LEU A 14 0.636 1.802 -4.878 1.00 0.00 C ATOM 158 CG LEU A 14 1.903 2.329 -5.576 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.156 3.793 -5.204 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.120 1.458 -5.246 1.00 0.00 C ATOM 0 H LEU A 14 -0.904 0.784 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 14 1.157 -0.256 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.204 2.452 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.775 1.857 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 14 1.742 2.276 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.056 4.146 -5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.305 4.399 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.287 3.877 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.000 1.855 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.289 1.462 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.938 0.437 -5.581 1.00 0.00 H new ATOM 172 N VAL A 15 -0.669 -0.797 -3.342 1.00 0.00 N ATOM 173 CA VAL A 15 -1.703 -1.459 -2.556 1.00 0.00 C ATOM 174 C VAL A 15 -1.387 -1.392 -1.068 1.00 0.00 C ATOM 175 O VAL A 15 -0.287 -1.013 -0.669 1.00 0.00 O ATOM 176 CB VAL A 15 -1.879 -2.920 -3.029 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.426 -2.931 -4.457 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.599 -3.766 -2.960 1.00 0.00 C ATOM 0 H VAL A 15 0.260 -0.854 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.646 -0.934 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.581 -3.381 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.550 -3.961 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.390 -2.423 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.728 -2.417 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.811 -4.776 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.168 -3.317 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.244 -3.806 -1.930 1.00 0.00 H new ATOM 188 N PHE A 16 -2.340 -1.784 -0.226 1.00 0.00 N ATOM 189 CA PHE A 16 -2.045 -2.183 1.138 1.00 0.00 C ATOM 190 C PHE A 16 -2.113 -3.699 1.202 1.00 0.00 C ATOM 191 O PHE A 16 -3.023 -4.305 0.631 1.00 0.00 O ATOM 192 CB PHE A 16 -2.999 -1.528 2.137 1.00 0.00 C ATOM 193 CG PHE A 16 -2.816 -0.032 2.216 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.884 0.512 3.118 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.512 0.811 1.330 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.648 1.895 3.136 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.275 2.195 1.350 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.341 2.739 2.249 1.00 0.00 C ATOM 0 H PHE A 16 -3.329 -1.832 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.047 -1.846 1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.027 -1.750 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.841 -1.963 3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.349 -0.135 3.797 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.227 0.394 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.934 2.312 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.812 2.843 0.673 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.156 3.803 2.259 1.00 0.00 H new ATOM 208 N ALA A 17 -1.159 -4.293 1.916 1.00 0.00 N ATOM 209 CA ALA A 17 -1.013 -5.723 2.092 1.00 0.00 C ATOM 210 C ALA A 17 -1.195 -6.040 3.569 1.00 0.00 C ATOM 211 O ALA A 17 -0.474 -5.498 4.406 1.00 0.00 O ATOM 212 CB ALA A 17 0.360 -6.157 1.577 1.00 0.00 C ATOM 0 H ALA A 17 -0.439 -3.761 2.406 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.764 -6.272 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.474 -7.233 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.447 -5.909 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.139 -5.639 2.137 1.00 0.00 H new ATOM 218 N LYS A 18 -2.177 -6.875 3.917 1.00 0.00 N ATOM 219 CA LYS A 18 -2.466 -7.184 5.314 1.00 0.00 C ATOM 220 C LYS A 18 -1.941 -8.582 5.595 1.00 0.00 C ATOM 221 O LYS A 18 -2.530 -9.561 5.141 1.00 0.00 O ATOM 222 CB LYS A 18 -3.981 -7.040 5.534 1.00 0.00 C ATOM 223 CG LYS A 18 -4.450 -7.078 6.996 1.00 0.00 C ATOM 224 CD LYS A 18 -3.798 -5.992 7.857 1.00 0.00 C ATOM 225 CE LYS A 18 -4.720 -5.388 8.926 1.00 0.00 C ATOM 226 NZ LYS A 18 -5.138 -6.340 9.967 1.00 0.00 N ATOM 0 H LYS A 18 -2.784 -7.348 3.248 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.977 -6.503 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.305 -6.098 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.486 -7.838 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.533 -6.959 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.223 -8.056 7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.921 -6.413 8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.445 -5.192 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.209 -4.550 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.608 -4.986 8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.757 -5.858 10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.654 -7.129 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.299 -6.707 10.459 1.00 0.00 H new ATOM 240 N MET A 19 -0.834 -8.686 6.331 1.00 0.00 N ATOM 241 CA MET A 19 -0.412 -9.958 6.906 1.00 0.00 C ATOM 242 C MET A 19 -1.084 -10.117 8.273 1.00 0.00 C ATOM 243 O MET A 19 -1.506 -9.136 8.887 1.00 0.00 O ATOM 244 CB MET A 19 1.122 -10.053 6.981 1.00 0.00 C ATOM 245 CG MET A 19 1.721 -10.342 5.599 1.00 0.00 C ATOM 246 SD MET A 19 3.400 -11.030 5.598 1.00 0.00 S ATOM 247 CE MET A 19 4.390 -9.577 6.041 1.00 0.00 C ATOM 0 H MET A 19 -0.215 -7.903 6.542 1.00 0.00 H new ATOM 0 HA MET A 19 -0.726 -10.783 6.267 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.529 -9.120 7.370 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.408 -10.841 7.678 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.063 -11.036 5.076 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.727 -9.415 5.025 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.314 -9.576 5.463 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.825 -8.671 5.822 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.627 -9.609 7.104 1.00 0.00 H new ATOM 257 N LYS A 20 -1.196 -11.361 8.748 1.00 0.00 N ATOM 258 CA LYS A 20 -1.939 -11.725 9.952 1.00 0.00 C ATOM 259 C LYS A 20 -1.315 -11.101 11.204 1.00 0.00 C ATOM 260 O LYS A 20 -0.446 -11.704 11.832 1.00 0.00 O ATOM 261 CB LYS A 20 -2.011 -13.259 10.076 1.00 0.00 C ATOM 262 CG LYS A 20 -3.126 -13.900 9.233 1.00 0.00 C ATOM 263 CD LYS A 20 -3.182 -15.408 9.519 1.00 0.00 C ATOM 264 CE LYS A 20 -4.445 -16.058 8.940 1.00 0.00 C ATOM 265 NZ LYS A 20 -4.528 -17.477 9.341 1.00 0.00 N ATOM 0 H LYS A 20 -0.760 -12.162 8.291 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.951 -11.330 9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.053 -13.683 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.163 -13.522 11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.085 -13.439 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.940 -13.727 8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.300 -15.890 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.150 -15.574 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.329 -15.523 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.435 -15.981 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.389 -17.901 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.694 -17.987 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.560 -17.543 10.378 1.00 0.00 H new ATOM 279 N GLY A 21 -1.790 -9.931 11.621 1.00 0.00 N ATOM 280 CA GLY A 21 -1.368 -9.252 12.843 1.00 0.00 C ATOM 281 C GLY A 21 -0.453 -8.059 12.566 1.00 0.00 C ATOM 282 O GLY A 21 -0.339 -7.171 13.413 1.00 0.00 O ATOM 0 H GLY A 21 -2.500 -9.414 11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.249 -8.911 13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.849 -9.961 13.488 1.00 0.00 H new ATOM 286 N TYR A 22 0.160 -7.984 11.383 1.00 0.00 N ATOM 287 CA TYR A 22 0.772 -6.743 10.925 1.00 0.00 C ATOM 288 C TYR A 22 -0.342 -5.755 10.540 1.00 0.00 C ATOM 289 O TYR A 22 -1.486 -6.176 10.345 1.00 0.00 O ATOM 290 CB TYR A 22 1.716 -7.031 9.745 1.00 0.00 C ATOM 291 CG TYR A 22 3.110 -7.485 10.152 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.915 -6.636 10.938 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.638 -8.710 9.695 1.00 0.00 C ATOM 294 CE1 TYR A 22 5.230 -7.000 11.271 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.962 -9.072 10.011 1.00 0.00 C ATOM 296 CZ TYR A 22 5.762 -8.223 10.809 1.00 0.00 C ATOM 297 OH TYR A 22 7.048 -8.558 11.110 1.00 0.00 O ATOM 0 H TYR A 22 0.244 -8.764 10.731 1.00 0.00 H new ATOM 0 HA TYR A 22 1.371 -6.296 11.719 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.267 -7.799 9.115 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.803 -6.130 9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.516 -5.695 11.288 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.026 -9.372 9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.834 -6.344 11.880 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.368 -10.002 9.642 1.00 0.00 H new ATOM 0 HH TYR A 22 7.259 -9.431 10.718 1.00 0.00 H new ATOM 307 N PRO A 23 -0.046 -4.448 10.439 1.00 0.00 N ATOM 308 CA PRO A 23 -0.970 -3.475 9.875 1.00 0.00 C ATOM 309 C PRO A 23 -1.302 -3.771 8.410 1.00 0.00 C ATOM 310 O PRO A 23 -0.763 -4.686 7.788 1.00 0.00 O ATOM 311 CB PRO A 23 -0.298 -2.104 9.998 1.00 0.00 C ATOM 312 CG PRO A 23 0.941 -2.326 10.858 1.00 0.00 C ATOM 313 CD PRO A 23 1.199 -3.826 10.844 1.00 0.00 C ATOM 0 HA PRO A 23 -1.916 -3.512 10.415 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.029 -1.711 9.018 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.969 -1.379 10.459 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.796 -1.780 10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.780 -1.967 11.875 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.002 -4.076 10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.507 -4.177 11.829 1.00 0.00 H new ATOM 321 N HIS A 24 -2.165 -2.931 7.841 1.00 0.00 N ATOM 322 CA HIS A 24 -2.273 -2.736 6.405 1.00 0.00 C ATOM 323 C HIS A 24 -0.943 -2.119 5.952 1.00 0.00 C ATOM 324 O HIS A 24 -0.749 -0.913 6.085 1.00 0.00 O ATOM 325 CB HIS A 24 -3.496 -1.841 6.134 1.00 0.00 C ATOM 326 CG HIS A 24 -4.797 -2.413 6.652 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.480 -1.985 7.769 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.522 -3.429 6.088 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.593 -2.732 7.876 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.644 -3.653 6.894 1.00 0.00 N ATOM 0 H HIS A 24 -2.817 -2.360 8.378 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.432 -3.657 5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.330 -0.866 6.593 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.584 -1.677 5.060 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.272 -3.962 5.183 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.343 -2.610 8.644 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.358 -4.370 6.764 1.00 0.00 H new ATOM 338 N TRP A 25 0.018 -2.950 5.544 1.00 0.00 N ATOM 339 CA TRP A 25 1.377 -2.530 5.225 1.00 0.00 C ATOM 340 C TRP A 25 1.390 -1.846 3.855 1.00 0.00 C ATOM 341 O TRP A 25 0.670 -2.301 2.962 1.00 0.00 O ATOM 342 CB TRP A 25 2.319 -3.747 5.278 1.00 0.00 C ATOM 343 CG TRP A 25 3.762 -3.448 5.582 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.711 -3.108 4.680 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.438 -3.427 6.879 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.925 -2.953 5.316 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.786 -3.009 6.686 1.00 0.00 C ATOM 348 CE3 TRP A 25 4.038 -3.682 8.208 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.646 -2.727 7.758 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.909 -3.461 9.295 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.193 -2.927 9.074 1.00 0.00 C ATOM 0 H TRP A 25 -0.133 -3.952 5.425 1.00 0.00 H new ATOM 0 HA TRP A 25 1.734 -1.807 5.959 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.945 -4.439 6.032 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.269 -4.263 4.319 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.543 -2.978 3.621 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.813 -2.815 4.834 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.042 -4.055 8.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.645 -2.360 7.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.591 -3.702 10.299 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.826 -2.672 9.911 1.00 0.00 H new ATOM 362 N PRO A 26 2.168 -0.767 3.663 1.00 0.00 N ATOM 363 CA PRO A 26 2.359 -0.160 2.353 1.00 0.00 C ATOM 364 C PRO A 26 3.150 -1.119 1.466 1.00 0.00 C ATOM 365 O PRO A 26 4.261 -1.518 1.823 1.00 0.00 O ATOM 366 CB PRO A 26 3.102 1.155 2.605 1.00 0.00 C ATOM 367 CG PRO A 26 3.869 0.877 3.894 1.00 0.00 C ATOM 368 CD PRO A 26 2.930 -0.040 4.669 1.00 0.00 C ATOM 0 HA PRO A 26 1.422 0.040 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.773 1.403 1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.413 1.992 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.828 0.397 3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.079 1.795 4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.490 -0.725 5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.271 0.535 5.320 1.00 0.00 H new ATOM 376 N ALA A 27 2.586 -1.525 0.331 1.00 0.00 N ATOM 377 CA ALA A 27 3.250 -2.443 -0.573 1.00 0.00 C ATOM 378 C ALA A 27 2.982 -2.042 -2.018 1.00 0.00 C ATOM 379 O ALA A 27 2.052 -1.286 -2.316 1.00 0.00 O ATOM 380 CB ALA A 27 2.771 -3.866 -0.276 1.00 0.00 C ATOM 0 H ALA A 27 1.662 -1.226 0.019 1.00 0.00 H new ATOM 0 HA ALA A 27 4.329 -2.405 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.265 -4.565 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.014 -4.124 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.692 -3.924 -0.420 1.00 0.00 H new ATOM 386 N ARG A 28 3.783 -2.569 -2.936 1.00 0.00 N ATOM 387 CA ARG A 28 3.635 -2.303 -4.357 1.00 0.00 C ATOM 388 C ARG A 28 3.385 -3.605 -5.082 1.00 0.00 C ATOM 389 O ARG A 28 3.833 -4.664 -4.627 1.00 0.00 O ATOM 390 CB ARG A 28 4.850 -1.519 -4.868 1.00 0.00 C ATOM 391 CG ARG A 28 6.183 -2.270 -4.984 1.00 0.00 C ATOM 392 CD ARG A 28 7.123 -1.522 -5.937 1.00 0.00 C ATOM 393 NE ARG A 28 8.551 -1.823 -5.719 1.00 0.00 N ATOM 394 CZ ARG A 28 9.514 -1.710 -6.647 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.222 -1.451 -7.917 1.00 0.00 N ATOM 396 NH2 ARG A 28 10.792 -1.822 -6.317 1.00 0.00 N ATOM 0 H ARG A 28 4.556 -3.195 -2.712 1.00 0.00 H new ATOM 0 HA ARG A 28 2.770 -1.670 -4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.603 -1.120 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.002 -0.666 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.645 -2.362 -4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.010 -3.282 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.860 -1.774 -6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.965 -0.450 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 28 8.828 -2.142 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.250 -1.334 -8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.970 -1.369 -8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.055 -1.996 -5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.513 -1.734 -7.033 1.00 0.00 H new ATOM 410 N ILE A 29 2.690 -3.522 -6.210 1.00 0.00 N ATOM 411 CA ILE A 29 2.677 -4.608 -7.165 1.00 0.00 C ATOM 412 C ILE A 29 3.998 -4.474 -7.901 1.00 0.00 C ATOM 413 O ILE A 29 4.285 -3.417 -8.485 1.00 0.00 O ATOM 414 CB ILE A 29 1.497 -4.514 -8.149 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.158 -4.100 -7.520 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.337 -5.864 -8.877 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.365 -5.053 -6.456 1.00 0.00 C ATOM 0 H ILE A 29 2.131 -2.713 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 29 2.557 -5.571 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 29 1.748 -3.712 -8.843 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.270 -3.110 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.588 -4.014 -8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.503 -5.804 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.252 -6.093 -9.423 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.143 -6.650 -8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.313 -4.681 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.514 -6.040 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.357 -5.122 -5.643 1.00 0.00 H new ATOM 429 N ASP A 30 4.810 -5.519 -7.862 1.00 0.00 N ATOM 430 CA ASP A 30 5.965 -5.591 -8.733 1.00 0.00 C ATOM 431 C ASP A 30 5.673 -6.531 -9.895 1.00 0.00 C ATOM 432 O ASP A 30 4.529 -6.965 -10.072 1.00 0.00 O ATOM 433 CB ASP A 30 7.232 -5.909 -7.934 1.00 0.00 C ATOM 434 CG ASP A 30 8.423 -5.331 -8.700 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.389 -4.122 -9.031 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.336 -6.097 -9.073 1.00 0.00 O ATOM 0 H ASP A 30 4.690 -6.320 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 30 6.168 -4.620 -9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.173 -5.476 -6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.344 -6.986 -7.808 1.00 0.00 H new ATOM 441 N GLU A 31 6.664 -6.805 -10.733 1.00 0.00 N ATOM 442 CA GLU A 31 6.551 -7.775 -11.805 1.00 0.00 C ATOM 443 C GLU A 31 7.372 -9.013 -11.442 1.00 0.00 C ATOM 444 O GLU A 31 7.829 -9.136 -10.303 1.00 0.00 O ATOM 445 CB GLU A 31 6.908 -7.122 -13.141 1.00 0.00 C ATOM 446 CG GLU A 31 8.404 -6.866 -13.362 1.00 0.00 C ATOM 447 CD GLU A 31 8.654 -6.432 -14.804 1.00 0.00 C ATOM 448 OE1 GLU A 31 8.418 -7.257 -15.717 1.00 0.00 O ATOM 449 OE2 GLU A 31 9.111 -5.290 -15.030 1.00 0.00 O ATOM 0 H GLU A 31 7.577 -6.353 -10.684 1.00 0.00 H new ATOM 0 HA GLU A 31 5.525 -8.121 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.541 -7.757 -13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.378 -6.173 -13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.754 -6.095 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.972 -7.770 -13.142 1.00 0.00 H new ATOM 456 N LEU A 32 7.543 -9.957 -12.371 1.00 0.00 N ATOM 457 CA LEU A 32 8.344 -11.149 -12.126 1.00 0.00 C ATOM 458 C LEU A 32 9.573 -11.101 -13.028 1.00 0.00 C ATOM 459 O LEU A 32 9.442 -10.753 -14.206 1.00 0.00 O ATOM 460 CB LEU A 32 7.505 -12.424 -12.334 1.00 0.00 C ATOM 461 CG LEU A 32 6.458 -12.599 -11.216 1.00 0.00 C ATOM 462 CD1 LEU A 32 5.465 -13.726 -11.488 1.00 0.00 C ATOM 463 CD2 LEU A 32 7.111 -12.879 -9.855 1.00 0.00 C ATOM 0 H LEU A 32 7.133 -9.914 -13.304 1.00 0.00 H new ATOM 0 HA LEU A 32 8.679 -11.174 -11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.003 -12.377 -13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.162 -13.293 -12.358 1.00 0.00 H new ATOM 0 HG LEU A 32 5.924 -11.649 -11.196 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.757 -13.794 -10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.926 -13.520 -12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.003 -14.669 -11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.337 -12.995 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.700 -13.794 -9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.761 -12.046 -9.585 1.00 0.00 H new ATOM 475 N PRO A 33 10.761 -11.439 -12.512 1.00 0.00 N ATOM 476 CA PRO A 33 11.946 -11.565 -13.335 1.00 0.00 C ATOM 477 C PRO A 33 11.812 -12.770 -14.257 1.00 0.00 C ATOM 478 O PRO A 33 11.013 -13.685 -14.036 1.00 0.00 O ATOM 479 CB PRO A 33 13.103 -11.733 -12.358 1.00 0.00 C ATOM 480 CG PRO A 33 12.440 -12.453 -11.197 1.00 0.00 C ATOM 481 CD PRO A 33 11.054 -11.827 -11.141 1.00 0.00 C ATOM 0 HA PRO A 33 12.102 -10.699 -13.978 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.917 -12.317 -12.788 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.523 -10.774 -12.056 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.389 -13.528 -11.367 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.987 -12.303 -10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.316 -12.535 -10.765 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.037 -10.965 -10.474 1.00 0.00 H new ATOM 489 N GLU A 34 12.662 -12.805 -15.267 1.00 0.00 N ATOM 490 CA GLU A 34 12.760 -13.854 -16.255 1.00 0.00 C ATOM 491 C GLU A 34 13.522 -15.052 -15.657 1.00 0.00 C ATOM 492 O GLU A 34 14.515 -15.499 -16.231 1.00 0.00 O ATOM 493 CB GLU A 34 13.430 -13.263 -17.518 1.00 0.00 C ATOM 494 CG GLU A 34 12.644 -12.100 -18.165 1.00 0.00 C ATOM 495 CD GLU A 34 13.019 -10.676 -17.700 1.00 0.00 C ATOM 496 OE1 GLU A 34 13.284 -10.439 -16.498 1.00 0.00 O ATOM 497 OE2 GLU A 34 12.949 -9.738 -18.531 1.00 0.00 O ATOM 0 H GLU A 34 13.339 -12.058 -15.425 1.00 0.00 H new ATOM 0 HA GLU A 34 11.780 -14.231 -16.547 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.428 -12.911 -17.256 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.555 -14.057 -18.255 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.781 -12.154 -19.245 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.583 -12.255 -17.970 1.00 0.00 H new ATOM 504 N GLY A 35 13.139 -15.559 -14.476 1.00 0.00 N ATOM 505 CA GLY A 35 13.823 -16.710 -13.877 1.00 0.00 C ATOM 506 C GLY A 35 13.637 -16.982 -12.380 1.00 0.00 C ATOM 507 O GLY A 35 14.365 -17.832 -11.865 1.00 0.00 O ATOM 0 H GLY A 35 12.365 -15.192 -13.922 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.503 -17.601 -14.417 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.891 -16.592 -14.061 1.00 0.00 H new ATOM 511 N ALA A 36 12.724 -16.329 -11.653 1.00 0.00 N ATOM 512 CA ALA A 36 12.537 -16.575 -10.217 1.00 0.00 C ATOM 513 C ALA A 36 11.369 -17.538 -9.958 1.00 0.00 C ATOM 514 O ALA A 36 11.025 -18.350 -10.818 1.00 0.00 O ATOM 515 CB ALA A 36 12.390 -15.254 -9.463 1.00 0.00 C ATOM 0 H ALA A 36 12.099 -15.621 -12.038 1.00 0.00 H new ATOM 0 HA ALA A 36 13.428 -17.070 -9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.252 -15.455 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.288 -14.652 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.525 -14.711 -9.845 1.00 0.00 H new ATOM 521 N VAL A 37 10.827 -17.527 -8.736 1.00 0.00 N ATOM 522 CA VAL A 37 9.752 -18.413 -8.299 1.00 0.00 C ATOM 523 C VAL A 37 8.499 -18.156 -9.149 1.00 0.00 C ATOM 524 O VAL A 37 8.171 -17.006 -9.468 1.00 0.00 O ATOM 525 CB VAL A 37 9.492 -18.210 -6.785 1.00 0.00 C ATOM 526 CG1 VAL A 37 8.357 -19.103 -6.259 1.00 0.00 C ATOM 527 CG2 VAL A 37 10.745 -18.493 -5.940 1.00 0.00 C ATOM 0 H VAL A 37 11.134 -16.883 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 37 10.037 -19.455 -8.442 1.00 0.00 H new ATOM 0 HB VAL A 37 9.207 -17.163 -6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.216 -18.922 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.435 -18.871 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.615 -20.150 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.516 -18.338 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.063 -19.524 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.546 -17.818 -6.240 1.00 0.00 H new ATOM 537 N LYS A 38 7.764 -19.220 -9.483 1.00 0.00 N ATOM 538 CA LYS A 38 6.421 -19.140 -10.060 1.00 0.00 C ATOM 539 C LYS A 38 5.374 -19.075 -8.932 1.00 0.00 C ATOM 540 O LYS A 38 5.272 -20.037 -8.160 1.00 0.00 O ATOM 541 CB LYS A 38 6.216 -20.287 -11.073 1.00 0.00 C ATOM 542 CG LYS A 38 6.255 -21.708 -10.483 1.00 0.00 C ATOM 543 CD LYS A 38 6.445 -22.808 -11.535 1.00 0.00 C ATOM 544 CE LYS A 38 5.194 -23.036 -12.394 1.00 0.00 C ATOM 545 NZ LYS A 38 5.426 -22.771 -13.829 1.00 0.00 N ATOM 0 H LYS A 38 8.092 -20.178 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 38 6.293 -18.221 -10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.255 -20.144 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.985 -20.211 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.066 -21.768 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.327 -21.892 -9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.281 -22.544 -12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.711 -23.739 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.857 -24.065 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.391 -22.392 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.548 -22.941 -14.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.721 -21.782 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.172 -23.403 -14.183 1.00 0.00 H new ATOM 559 N PRO A 39 4.633 -17.969 -8.740 1.00 0.00 N ATOM 560 CA PRO A 39 3.486 -17.930 -7.830 1.00 0.00 C ATOM 561 C PRO A 39 2.303 -18.736 -8.352 1.00 0.00 C ATOM 562 O PRO A 39 2.327 -19.220 -9.484 1.00 0.00 O ATOM 563 CB PRO A 39 3.138 -16.452 -7.659 1.00 0.00 C ATOM 564 CG PRO A 39 3.635 -15.817 -8.948 1.00 0.00 C ATOM 565 CD PRO A 39 4.834 -16.666 -9.358 1.00 0.00 C ATOM 0 HA PRO A 39 3.734 -18.392 -6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.066 -16.305 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.629 -16.023 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.863 -15.824 -9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.920 -14.777 -8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.897 -16.754 -10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.766 -16.214 -9.020 1.00 0.00 H new ATOM 573 N PRO A 40 1.270 -18.945 -7.522 1.00 0.00 N ATOM 574 CA PRO A 40 0.031 -19.518 -7.998 1.00 0.00 C ATOM 575 C PRO A 40 -0.804 -18.490 -8.740 1.00 0.00 C ATOM 576 O PRO A 40 -0.722 -17.287 -8.473 1.00 0.00 O ATOM 577 CB PRO A 40 -0.687 -20.042 -6.754 1.00 0.00 C ATOM 578 CG PRO A 40 -0.194 -19.106 -5.657 1.00 0.00 C ATOM 579 CD PRO A 40 1.224 -18.738 -6.082 1.00 0.00 C ATOM 0 HA PRO A 40 0.209 -20.319 -8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.771 -19.999 -6.865 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.429 -21.080 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.826 -18.222 -5.575 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.203 -19.596 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.453 -17.703 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.959 -19.361 -5.573 1.00 0.00 H new ATOM 587 N ALA A 41 -1.644 -18.985 -9.648 1.00 0.00 N ATOM 588 CA ALA A 41 -2.485 -18.148 -10.449 1.00 0.00 C ATOM 589 C ALA A 41 -3.459 -17.429 -9.536 1.00 0.00 C ATOM 590 O ALA A 41 -4.018 -18.036 -8.618 1.00 0.00 O ATOM 591 CB ALA A 41 -3.217 -18.969 -11.512 1.00 0.00 C ATOM 0 H ALA A 41 -1.748 -19.982 -9.836 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.879 -17.413 -10.979 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.850 -18.311 -12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.489 -19.457 -12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.835 -19.725 -11.027 1.00 0.00 H new ATOM 597 N ASN A 42 -3.617 -16.144 -9.818 1.00 0.00 N ATOM 598 CA ASN A 42 -4.371 -15.068 -9.156 1.00 0.00 C ATOM 599 C ASN A 42 -3.457 -14.230 -8.263 1.00 0.00 C ATOM 600 O ASN A 42 -3.774 -13.069 -8.012 1.00 0.00 O ATOM 601 CB ASN A 42 -5.545 -15.523 -8.268 1.00 0.00 C ATOM 602 CG ASN A 42 -6.745 -16.071 -9.021 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.708 -15.353 -9.302 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.717 -17.348 -9.347 1.00 0.00 N ATOM 0 H ASN A 42 -3.149 -15.768 -10.643 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.782 -14.504 -9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.185 -16.289 -7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.871 -14.678 -7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.504 -17.765 -9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.908 -17.919 -9.102 1.00 0.00 H new ATOM 611 N LYS A 43 -2.353 -14.783 -7.746 1.00 0.00 N ATOM 612 CA LYS A 43 -1.518 -14.054 -6.795 1.00 0.00 C ATOM 613 C LYS A 43 -0.545 -13.124 -7.510 1.00 0.00 C ATOM 614 O LYS A 43 -0.316 -13.236 -8.717 1.00 0.00 O ATOM 615 CB LYS A 43 -0.795 -15.019 -5.848 1.00 0.00 C ATOM 616 CG LYS A 43 -1.776 -15.699 -4.876 1.00 0.00 C ATOM 617 CD LYS A 43 -1.020 -16.102 -3.607 1.00 0.00 C ATOM 618 CE LYS A 43 -1.947 -16.596 -2.497 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.163 -16.953 -1.299 1.00 0.00 N ATOM 0 H LYS A 43 -2.023 -15.722 -7.969 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.169 -13.427 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.273 -15.779 -6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.038 -14.476 -5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.592 -15.020 -4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.222 -16.577 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.303 -16.886 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.448 -15.248 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.673 -15.822 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.511 -17.462 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.797 -17.025 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.691 -17.867 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.448 -16.219 -1.121 1.00 0.00 H new ATOM 633 N TYR A 44 0.065 -12.227 -6.739 1.00 0.00 N ATOM 634 CA TYR A 44 0.977 -11.207 -7.229 1.00 0.00 C ATOM 635 C TYR A 44 2.259 -11.232 -6.391 1.00 0.00 C ATOM 636 O TYR A 44 2.193 -11.544 -5.194 1.00 0.00 O ATOM 637 CB TYR A 44 0.295 -9.834 -7.120 1.00 0.00 C ATOM 638 CG TYR A 44 -1.105 -9.798 -7.700 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.288 -9.840 -9.093 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.223 -9.799 -6.843 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.585 -9.884 -9.634 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.521 -9.829 -7.380 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.709 -9.883 -8.779 1.00 0.00 C ATOM 644 OH TYR A 44 -4.965 -9.948 -9.298 1.00 0.00 O ATOM 0 H TYR A 44 -0.068 -12.192 -5.728 1.00 0.00 H new ATOM 0 HA TYR A 44 1.233 -11.398 -8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.251 -9.543 -6.070 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.909 -9.092 -7.631 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.430 -9.838 -9.749 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.082 -9.777 -5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.722 -9.919 -10.705 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.377 -9.811 -6.722 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.621 -9.938 -8.570 1.00 0.00 H new ATOM 654 N PRO A 45 3.416 -10.880 -6.975 1.00 0.00 N ATOM 655 CA PRO A 45 4.616 -10.520 -6.237 1.00 0.00 C ATOM 656 C PRO A 45 4.399 -9.159 -5.566 1.00 0.00 C ATOM 657 O PRO A 45 4.599 -8.100 -6.164 1.00 0.00 O ATOM 658 CB PRO A 45 5.751 -10.503 -7.262 1.00 0.00 C ATOM 659 CG PRO A 45 5.036 -10.133 -8.556 1.00 0.00 C ATOM 660 CD PRO A 45 3.642 -10.736 -8.405 1.00 0.00 C ATOM 0 HA PRO A 45 4.858 -11.222 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.519 -9.774 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.243 -11.473 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.989 -9.052 -8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.553 -10.539 -9.426 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.888 -10.091 -8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.578 -11.701 -8.908 1.00 0.00 H new ATOM 668 N ILE A 46 3.928 -9.192 -4.324 1.00 0.00 N ATOM 669 CA ILE A 46 3.779 -8.005 -3.500 1.00 0.00 C ATOM 670 C ILE A 46 5.131 -7.735 -2.839 1.00 0.00 C ATOM 671 O ILE A 46 5.673 -8.615 -2.161 1.00 0.00 O ATOM 672 CB ILE A 46 2.626 -8.247 -2.499 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.274 -8.523 -3.202 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.452 -7.089 -1.511 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.826 -7.439 -4.194 1.00 0.00 C ATOM 0 H ILE A 46 3.637 -10.053 -3.860 1.00 0.00 H new ATOM 0 HA ILE A 46 3.510 -7.116 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 46 2.918 -9.139 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.344 -9.473 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.503 -8.639 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.629 -7.311 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.370 -6.958 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.232 -6.173 -2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.130 -7.722 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.718 -6.489 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.572 -7.336 -4.982 1.00 0.00 H new ATOM 687 N PHE A 47 5.677 -6.540 -3.058 1.00 0.00 N ATOM 688 CA PHE A 47 6.899 -6.047 -2.431 1.00 0.00 C ATOM 689 C PHE A 47 6.488 -5.083 -1.321 1.00 0.00 C ATOM 690 O PHE A 47 5.814 -4.085 -1.587 1.00 0.00 O ATOM 691 CB PHE A 47 7.771 -5.363 -3.486 1.00 0.00 C ATOM 692 CG PHE A 47 9.055 -4.760 -2.951 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.201 -5.568 -2.825 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.122 -3.394 -2.602 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.417 -5.010 -2.400 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.342 -2.836 -2.190 1.00 0.00 C ATOM 697 CZ PHE A 47 11.485 -3.641 -2.100 1.00 0.00 C ATOM 0 H PHE A 47 5.264 -5.865 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 47 7.487 -6.858 -2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.021 -6.090 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.188 -4.577 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.144 -6.621 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.236 -2.779 -2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.295 -5.631 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.400 -1.786 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.425 -3.205 -1.797 1.00 0.00 H new ATOM 707 N PHE A 48 6.823 -5.417 -0.079 1.00 0.00 N ATOM 708 CA PHE A 48 6.475 -4.676 1.121 1.00 0.00 C ATOM 709 C PHE A 48 7.509 -3.571 1.298 1.00 0.00 C ATOM 710 O PHE A 48 8.643 -3.848 1.684 1.00 0.00 O ATOM 711 CB PHE A 48 6.460 -5.629 2.330 1.00 0.00 C ATOM 712 CG PHE A 48 5.315 -6.630 2.337 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.286 -7.695 1.415 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.267 -6.499 3.270 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.208 -8.594 1.402 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.194 -7.406 3.267 1.00 0.00 C ATOM 717 CZ PHE A 48 3.163 -8.456 2.332 1.00 0.00 C ATOM 0 H PHE A 48 7.371 -6.253 0.124 1.00 0.00 H new ATOM 0 HA PHE A 48 5.482 -4.234 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.403 -6.176 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.411 -5.035 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.098 -7.820 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.289 -5.696 3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.181 -9.393 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.393 -7.297 3.983 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.339 -9.154 2.328 1.00 0.00 H new ATOM 727 N PHE A 49 7.136 -2.327 1.004 1.00 0.00 N ATOM 728 CA PHE A 49 8.034 -1.188 1.131 1.00 0.00 C ATOM 729 C PHE A 49 8.504 -1.024 2.589 1.00 0.00 C ATOM 730 O PHE A 49 7.847 -1.490 3.529 1.00 0.00 O ATOM 731 CB PHE A 49 7.325 0.062 0.577 1.00 0.00 C ATOM 732 CG PHE A 49 7.413 0.254 -0.931 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.675 0.243 -1.550 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.282 0.571 -1.712 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.826 0.566 -2.904 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.442 0.979 -3.045 1.00 0.00 C ATOM 737 CZ PHE A 49 7.705 0.947 -3.651 1.00 0.00 C ATOM 0 H PHE A 49 6.203 -2.084 0.672 1.00 0.00 H new ATOM 0 HA PHE A 49 8.939 -1.347 0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.273 0.016 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.747 0.942 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.547 -0.020 -0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.293 0.500 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.800 0.522 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.586 1.320 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.813 1.216 -4.691 1.00 0.00 H new ATOM 747 N GLY A 50 9.647 -0.372 2.805 1.00 0.00 N ATOM 748 CA GLY A 50 10.252 -0.084 4.108 1.00 0.00 C ATOM 749 C GLY A 50 10.884 -1.283 4.825 1.00 0.00 C ATOM 750 O GLY A 50 11.772 -1.100 5.659 1.00 0.00 O ATOM 0 H GLY A 50 10.207 -0.010 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.018 0.680 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.487 0.343 4.757 1.00 0.00 H new ATOM 754 N THR A 51 10.467 -2.509 4.519 1.00 0.00 N ATOM 755 CA THR A 51 11.111 -3.748 4.962 1.00 0.00 C ATOM 756 C THR A 51 11.712 -4.500 3.769 1.00 0.00 C ATOM 757 O THR A 51 12.628 -5.311 3.940 1.00 0.00 O ATOM 758 CB THR A 51 10.102 -4.588 5.771 1.00 0.00 C ATOM 759 OG1 THR A 51 8.794 -4.504 5.221 1.00 0.00 O ATOM 760 CG2 THR A 51 10.042 -4.065 7.210 1.00 0.00 C ATOM 0 H THR A 51 9.646 -2.675 3.938 1.00 0.00 H new ATOM 0 HA THR A 51 11.947 -3.522 5.624 1.00 0.00 H new ATOM 0 HB THR A 51 10.437 -5.625 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.179 -5.048 5.756 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.329 -4.658 7.783 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.029 -4.143 7.667 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.725 -3.022 7.205 1.00 0.00 H new ATOM 768 N HIS A 52 11.251 -4.160 2.561 1.00 0.00 N ATOM 769 CA HIS A 52 11.674 -4.666 1.265 1.00 0.00 C ATOM 770 C HIS A 52 11.421 -6.178 1.138 1.00 0.00 C ATOM 771 O HIS A 52 12.030 -6.840 0.296 1.00 0.00 O ATOM 772 CB HIS A 52 13.122 -4.228 0.978 1.00 0.00 C ATOM 773 CG HIS A 52 13.494 -2.827 1.443 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.615 -2.504 2.180 1.00 0.00 N ATOM 775 CD2 HIS A 52 12.782 -1.667 1.262 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.572 -1.189 2.452 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.472 -0.638 1.917 1.00 0.00 N ATOM 0 H HIS A 52 10.511 -3.465 2.464 1.00 0.00 H new ATOM 0 HA HIS A 52 11.062 -4.223 0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.798 -4.939 1.453 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.295 -4.292 -0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.857 -1.566 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.317 -0.652 3.020 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.192 0.341 1.976 1.00 0.00 H new ATOM 785 N GLU A 53 10.552 -6.736 1.990 1.00 0.00 N ATOM 786 CA GLU A 53 10.206 -8.150 1.982 1.00 0.00 C ATOM 787 C GLU A 53 9.315 -8.463 0.782 1.00 0.00 C ATOM 788 O GLU A 53 8.627 -7.592 0.242 1.00 0.00 O ATOM 789 CB GLU A 53 9.490 -8.548 3.286 1.00 0.00 C ATOM 790 CG GLU A 53 10.438 -8.575 4.490 1.00 0.00 C ATOM 791 CD GLU A 53 9.727 -9.103 5.738 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.014 -8.320 6.411 1.00 0.00 O ATOM 793 OE2 GLU A 53 9.859 -10.313 6.046 1.00 0.00 O ATOM 0 H GLU A 53 10.066 -6.204 2.712 1.00 0.00 H new ATOM 0 HA GLU A 53 11.127 -8.727 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.680 -7.845 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.036 -9.531 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.299 -9.204 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.817 -7.571 4.681 1.00 0.00 H new ATOM 800 N THR A 54 9.260 -9.739 0.419 1.00 0.00 N ATOM 801 CA THR A 54 8.485 -10.248 -0.695 1.00 0.00 C ATOM 802 C THR A 54 7.580 -11.364 -0.175 1.00 0.00 C ATOM 803 O THR A 54 8.049 -12.273 0.516 1.00 0.00 O ATOM 804 CB THR A 54 9.450 -10.720 -1.802 1.00 0.00 C ATOM 805 OG1 THR A 54 10.498 -11.524 -1.282 1.00 0.00 O ATOM 806 CG2 THR A 54 10.070 -9.523 -2.527 1.00 0.00 C ATOM 0 H THR A 54 9.773 -10.469 0.912 1.00 0.00 H new ATOM 0 HA THR A 54 7.848 -9.480 -1.134 1.00 0.00 H new ATOM 0 HB THR A 54 8.859 -11.315 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.152 -12.083 -0.556 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.747 -9.879 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.281 -8.924 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.624 -8.913 -1.814 1.00 0.00 H new ATOM 814 N ALA A 55 6.286 -11.338 -0.495 1.00 0.00 N ATOM 815 CA ALA A 55 5.401 -12.488 -0.305 1.00 0.00 C ATOM 816 C ALA A 55 4.390 -12.553 -1.449 1.00 0.00 C ATOM 817 O ALA A 55 4.266 -11.604 -2.232 1.00 0.00 O ATOM 818 CB ALA A 55 4.703 -12.418 1.061 1.00 0.00 C ATOM 0 H ALA A 55 5.822 -10.521 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 55 5.994 -13.403 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.050 -13.283 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.452 -12.417 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.110 -11.505 1.120 1.00 0.00 H new ATOM 824 N PHE A 56 3.645 -13.657 -1.527 1.00 0.00 N ATOM 825 CA PHE A 56 2.580 -13.841 -2.499 1.00 0.00 C ATOM 826 C PHE A 56 1.245 -13.743 -1.781 1.00 0.00 C ATOM 827 O PHE A 56 0.915 -14.566 -0.918 1.00 0.00 O ATOM 828 CB PHE A 56 2.707 -15.187 -3.221 1.00 0.00 C ATOM 829 CG PHE A 56 3.998 -15.424 -3.978 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.483 -14.474 -4.901 1.00 0.00 C ATOM 831 CD2 PHE A 56 4.671 -16.649 -3.814 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.627 -14.758 -5.670 1.00 0.00 C ATOM 833 CE2 PHE A 56 5.818 -16.928 -4.572 1.00 0.00 C ATOM 834 CZ PHE A 56 6.293 -15.985 -5.496 1.00 0.00 C ATOM 0 H PHE A 56 3.771 -14.456 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 56 2.652 -13.062 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.591 -15.982 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.878 -15.279 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.976 -13.528 -5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.304 -17.375 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.991 -14.039 -6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.335 -17.868 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.176 -16.203 -6.078 1.00 0.00 H new ATOM 844 N LEU A 57 0.443 -12.756 -2.164 1.00 0.00 N ATOM 845 CA LEU A 57 -0.932 -12.604 -1.707 1.00 0.00 C ATOM 846 C LEU A 57 -1.823 -12.543 -2.940 1.00 0.00 C ATOM 847 O LEU A 57 -1.357 -12.185 -4.024 1.00 0.00 O ATOM 848 CB LEU A 57 -1.055 -11.347 -0.831 1.00 0.00 C ATOM 849 CG LEU A 57 -0.400 -11.498 0.556 1.00 0.00 C ATOM 850 CD1 LEU A 57 -0.257 -10.136 1.242 1.00 0.00 C ATOM 851 CD2 LEU A 57 -1.218 -12.413 1.476 1.00 0.00 C ATOM 0 H LEU A 57 0.736 -12.026 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.243 -13.446 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.597 -10.505 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.110 -11.106 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 57 0.582 -11.941 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.208 -10.268 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.365 -9.484 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.242 -9.686 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.722 -12.493 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.215 -11.994 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.299 -13.403 1.027 1.00 0.00 H new ATOM 863 N GLY A 58 -3.086 -12.931 -2.777 1.00 0.00 N ATOM 864 CA GLY A 58 -4.116 -12.815 -3.788 1.00 0.00 C ATOM 865 C GLY A 58 -4.979 -11.595 -3.489 1.00 0.00 C ATOM 866 O GLY A 58 -4.917 -11.051 -2.384 1.00 0.00 O ATOM 0 H GLY A 58 -3.424 -13.346 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.664 -12.722 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.731 -13.715 -3.802 1.00 0.00 H new ATOM 870 N PRO A 59 -5.812 -11.171 -4.448 1.00 0.00 N ATOM 871 CA PRO A 59 -6.426 -9.850 -4.438 1.00 0.00 C ATOM 872 C PRO A 59 -7.324 -9.622 -3.223 1.00 0.00 C ATOM 873 O PRO A 59 -7.371 -8.510 -2.711 1.00 0.00 O ATOM 874 CB PRO A 59 -7.182 -9.727 -5.768 1.00 0.00 C ATOM 875 CG PRO A 59 -7.287 -11.155 -6.303 1.00 0.00 C ATOM 876 CD PRO A 59 -6.110 -11.890 -5.671 1.00 0.00 C ATOM 0 HA PRO A 59 -5.669 -9.071 -4.348 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.169 -9.288 -5.621 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.648 -9.083 -6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.236 -11.614 -6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.229 -11.176 -7.391 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.363 -12.929 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.249 -11.900 -6.340 1.00 0.00 H new ATOM 884 N LYS A 60 -7.992 -10.657 -2.709 1.00 0.00 N ATOM 885 CA LYS A 60 -8.860 -10.561 -1.554 1.00 0.00 C ATOM 886 C LYS A 60 -8.113 -10.157 -0.284 1.00 0.00 C ATOM 887 O LYS A 60 -8.710 -9.519 0.582 1.00 0.00 O ATOM 888 CB LYS A 60 -9.580 -11.908 -1.429 1.00 0.00 C ATOM 889 CG LYS A 60 -10.542 -11.946 -0.245 1.00 0.00 C ATOM 890 CD LYS A 60 -11.743 -12.847 -0.543 1.00 0.00 C ATOM 891 CE LYS A 60 -12.579 -13.214 0.685 1.00 0.00 C ATOM 892 NZ LYS A 60 -13.200 -12.025 1.298 1.00 0.00 N ATOM 0 H LYS A 60 -7.938 -11.599 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.587 -9.760 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.131 -12.109 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.842 -12.703 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.021 -12.310 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.887 -10.937 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.385 -12.347 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.386 -13.764 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.356 -13.923 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.947 -13.714 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.758 -12.313 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.458 -11.360 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.823 -11.562 0.605 1.00 0.00 H new ATOM 906 N ASP A 61 -6.826 -10.481 -0.144 1.00 0.00 N ATOM 907 CA ASP A 61 -6.060 -10.080 1.038 1.00 0.00 C ATOM 908 C ASP A 61 -5.535 -8.642 0.914 1.00 0.00 C ATOM 909 O ASP A 61 -4.885 -8.147 1.843 1.00 0.00 O ATOM 910 CB ASP A 61 -4.900 -11.051 1.311 1.00 0.00 C ATOM 911 CG ASP A 61 -5.353 -12.394 1.884 1.00 0.00 C ATOM 912 OD1 ASP A 61 -6.226 -12.412 2.788 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.783 -13.429 1.462 1.00 0.00 O ATOM 0 H ASP A 61 -6.295 -11.017 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.744 -10.117 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.356 -11.226 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.202 -10.585 2.006 1.00 0.00 H new ATOM 918 N LEU A 62 -5.801 -7.966 -0.207 1.00 0.00 N ATOM 919 CA LEU A 62 -5.119 -6.763 -0.662 1.00 0.00 C ATOM 920 C LEU A 62 -6.151 -5.674 -0.948 1.00 0.00 C ATOM 921 O LEU A 62 -7.338 -5.966 -1.123 1.00 0.00 O ATOM 922 CB LEU A 62 -4.307 -7.114 -1.925 1.00 0.00 C ATOM 923 CG LEU A 62 -3.247 -8.213 -1.696 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.646 -8.673 -3.016 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.125 -7.727 -0.776 1.00 0.00 C ATOM 0 H LEU A 62 -6.535 -8.262 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.439 -6.387 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.992 -7.440 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.812 -6.214 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.756 -9.050 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.902 -9.447 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.433 -9.074 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.171 -7.828 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.397 -8.526 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.635 -6.863 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.543 -7.445 0.190 1.00 0.00 H new ATOM 937 N PHE A 63 -5.701 -4.419 -0.987 1.00 0.00 N ATOM 938 CA PHE A 63 -6.569 -3.249 -1.083 1.00 0.00 C ATOM 939 C PHE A 63 -5.933 -2.222 -2.027 1.00 0.00 C ATOM 940 O PHE A 63 -4.730 -1.978 -1.894 1.00 0.00 O ATOM 941 CB PHE A 63 -6.755 -2.635 0.313 1.00 0.00 C ATOM 942 CG PHE A 63 -7.218 -3.613 1.377 1.00 0.00 C ATOM 943 CD1 PHE A 63 -8.591 -3.864 1.550 1.00 0.00 C ATOM 944 CD2 PHE A 63 -6.277 -4.312 2.160 1.00 0.00 C ATOM 945 CE1 PHE A 63 -9.019 -4.813 2.494 1.00 0.00 C ATOM 946 CE2 PHE A 63 -6.710 -5.263 3.098 1.00 0.00 C ATOM 947 CZ PHE A 63 -8.081 -5.512 3.268 1.00 0.00 C ATOM 0 H PHE A 63 -4.709 -4.186 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.542 -3.543 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.810 -2.194 0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.479 -1.823 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.317 -3.327 0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.222 -4.116 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.074 -5.005 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.987 -5.804 3.690 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.413 -6.240 3.993 1.00 0.00 H new ATOM 957 N PRO A 64 -6.692 -1.588 -2.941 1.00 0.00 N ATOM 958 CA PRO A 64 -6.153 -0.600 -3.865 1.00 0.00 C ATOM 959 C PRO A 64 -5.650 0.617 -3.097 1.00 0.00 C ATOM 960 O PRO A 64 -6.390 1.186 -2.291 1.00 0.00 O ATOM 961 CB PRO A 64 -7.286 -0.234 -4.829 1.00 0.00 C ATOM 962 CG PRO A 64 -8.570 -0.762 -4.188 1.00 0.00 C ATOM 963 CD PRO A 64 -8.126 -1.749 -3.114 1.00 0.00 C ATOM 0 HA PRO A 64 -5.301 -0.992 -4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.339 0.844 -4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.125 -0.684 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.153 0.051 -3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.204 -1.250 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.649 -1.558 -2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.365 -2.771 -3.410 1.00 0.00 H new ATOM 971 N TYR A 65 -4.408 1.030 -3.360 1.00 0.00 N ATOM 972 CA TYR A 65 -3.796 2.164 -2.690 1.00 0.00 C ATOM 973 C TYR A 65 -4.692 3.387 -2.744 1.00 0.00 C ATOM 974 O TYR A 65 -5.080 3.853 -1.685 1.00 0.00 O ATOM 975 CB TYR A 65 -2.418 2.463 -3.265 1.00 0.00 C ATOM 976 CG TYR A 65 -1.757 3.710 -2.718 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.357 3.742 -1.372 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.541 4.834 -3.540 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.741 4.881 -0.837 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.924 5.983 -3.011 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.530 6.013 -1.651 1.00 0.00 C ATOM 982 OH TYR A 65 0.027 7.130 -1.113 1.00 0.00 O ATOM 0 H TYR A 65 -3.802 0.581 -4.047 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.668 1.898 -1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.767 1.610 -3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.505 2.560 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.526 2.880 -0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.849 4.814 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.428 4.892 0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.751 6.842 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 65 0.107 7.821 -1.803 1.00 0.00 H new ATOM 992 N LYS A 66 -5.068 3.904 -3.917 1.00 0.00 N ATOM 993 CA LYS A 66 -5.781 5.182 -3.971 1.00 0.00 C ATOM 994 C LYS A 66 -7.125 5.156 -3.238 1.00 0.00 C ATOM 995 O LYS A 66 -7.577 6.214 -2.803 1.00 0.00 O ATOM 996 CB LYS A 66 -5.933 5.690 -5.419 1.00 0.00 C ATOM 997 CG LYS A 66 -4.718 6.532 -5.866 1.00 0.00 C ATOM 998 CD LYS A 66 -5.122 7.604 -6.892 1.00 0.00 C ATOM 999 CE LYS A 66 -4.106 8.750 -6.983 1.00 0.00 C ATOM 1000 NZ LYS A 66 -2.870 8.397 -7.704 1.00 0.00 N ATOM 0 H LYS A 66 -4.895 3.469 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.158 5.895 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.052 4.840 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.840 6.290 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.266 7.010 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.961 5.879 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.229 7.140 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.097 8.009 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.575 9.599 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.847 9.074 -5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.233 9.219 -7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.399 7.606 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.104 8.116 -8.678 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.762 3.999 -3.045 1.00 0.00 N ATOM 1015 CA GLU A 67 -9.023 3.938 -2.304 1.00 0.00 C ATOM 1016 C GLU A 67 -8.787 3.979 -0.786 1.00 0.00 C ATOM 1017 O GLU A 67 -9.618 4.507 -0.045 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.808 2.689 -2.731 1.00 0.00 C ATOM 1019 CG GLU A 67 -11.292 2.947 -3.038 1.00 0.00 C ATOM 1020 CD GLU A 67 -12.210 2.528 -1.887 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -12.429 3.333 -0.954 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -12.761 1.405 -1.950 1.00 0.00 O ATOM 0 H GLU A 67 -7.428 3.098 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.619 4.819 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.335 2.262 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.737 1.942 -1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.438 4.007 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.573 2.403 -3.939 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.648 3.470 -0.314 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.300 3.331 1.101 1.00 0.00 C ATOM 1031 C TYR A 68 -6.111 4.212 1.509 1.00 0.00 C ATOM 1032 O TYR A 68 -5.647 4.119 2.643 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.055 1.850 1.409 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.311 1.004 1.326 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.772 0.555 0.080 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.035 0.679 2.485 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.949 -0.199 -0.021 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.179 -0.137 2.406 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.640 -0.585 1.146 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.723 -1.400 1.044 1.00 0.00 O ATOM 0 H TYR A 68 -6.912 3.129 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.137 3.688 1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.315 1.459 0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.630 1.759 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.213 0.793 -0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.712 1.058 3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.326 -0.484 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.704 -0.421 3.306 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.087 -1.574 1.937 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.613 5.074 0.623 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.356 5.815 0.753 1.00 0.00 C ATOM 1052 C LYS A 69 -4.371 6.632 2.024 1.00 0.00 C ATOM 1053 O LYS A 69 -3.387 6.625 2.757 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.155 6.664 -0.531 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.410 7.982 -0.299 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.165 8.810 -1.562 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.478 10.126 -1.171 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.387 11.036 -0.437 1.00 0.00 N ATOM 0 H LYS A 69 -6.098 5.286 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.502 5.143 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.605 6.072 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.130 6.882 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.978 8.585 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.449 7.763 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.542 8.253 -2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.109 9.014 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.607 9.909 -0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.115 10.625 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.927 11.960 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.267 11.157 -0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.606 10.630 0.495 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.476 7.309 2.304 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.574 8.139 3.489 1.00 0.00 C ATOM 1074 C ASP A 70 -6.108 7.297 4.655 1.00 0.00 C ATOM 1075 O ASP A 70 -5.782 7.574 5.805 1.00 0.00 O ATOM 1076 CB ASP A 70 -6.449 9.363 3.193 1.00 0.00 C ATOM 1077 CG ASP A 70 -5.951 10.200 2.003 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -4.733 10.481 1.929 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -6.766 10.522 1.106 1.00 0.00 O ATOM 0 H ASP A 70 -6.315 7.298 1.725 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.591 8.512 3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.468 9.031 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.488 9.995 4.080 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.902 6.249 4.384 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.544 5.377 5.380 1.00 0.00 C ATOM 1086 C LYS A 71 -6.535 4.514 6.142 1.00 0.00 C ATOM 1087 O LYS A 71 -6.674 4.322 7.354 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.564 4.467 4.665 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.681 3.980 5.601 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.667 3.009 4.928 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.437 3.618 3.742 1.00 0.00 C ATOM 1092 NZ LYS A 71 -12.124 2.604 2.907 1.00 0.00 N ATOM 0 H LYS A 71 -7.123 5.975 3.427 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.038 6.016 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.006 5.010 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.045 3.605 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.232 3.489 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.232 4.843 5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.118 2.134 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.383 2.661 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.174 4.326 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.743 4.183 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.359 3.017 1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.498 1.785 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.997 2.297 3.381 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.583 3.934 5.414 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.608 2.952 5.870 1.00 0.00 C ATOM 1108 C PHE A 72 -3.191 3.520 5.814 1.00 0.00 C ATOM 1109 O PHE A 72 -2.347 3.104 6.615 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.697 1.665 5.030 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.940 0.796 5.166 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.843 0.919 6.244 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.160 -0.205 4.202 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.938 0.047 6.355 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.235 -1.098 4.330 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.127 -0.971 5.405 1.00 0.00 C ATOM 0 H PHE A 72 -5.467 4.154 4.425 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.840 2.709 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.601 1.946 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.832 1.048 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.691 1.688 6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.495 -0.287 3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.636 0.159 7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.375 -1.883 3.601 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.958 -1.654 5.502 1.00 0.00 H new ATOM 1126 N GLY A 73 -2.926 4.480 4.920 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.614 5.073 4.701 1.00 0.00 C ATOM 1128 C GLY A 73 -1.300 6.108 5.773 1.00 0.00 C ATOM 1129 O GLY A 73 -1.244 7.300 5.471 1.00 0.00 O ATOM 0 H GLY A 73 -3.645 4.873 4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.852 4.293 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.582 5.541 3.717 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.197 5.693 7.037 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.085 6.578 8.195 1.00 0.00 C ATOM 1135 C LYS A 74 -0.132 5.959 9.206 1.00 0.00 C ATOM 1136 O LYS A 74 0.115 4.754 9.187 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.474 6.831 8.817 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.358 7.766 7.972 1.00 0.00 C ATOM 1139 CD LYS A 74 -2.926 9.243 8.047 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.205 10.004 6.742 1.00 0.00 C ATOM 1141 NZ LYS A 74 -2.087 9.930 5.773 1.00 0.00 N ATOM 0 H LYS A 74 -1.189 4.705 7.289 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.687 7.543 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.986 5.877 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.347 7.262 9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.332 7.439 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.392 7.679 8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.452 9.731 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.861 9.296 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.106 9.601 6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.407 11.050 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.380 10.359 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.266 10.444 6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.830 8.935 5.615 1.00 0.00 H new ATOM 1155 N SER A 75 0.430 6.799 10.066 1.00 0.00 N ATOM 1156 CA SER A 75 1.728 6.636 10.704 1.00 0.00 C ATOM 1157 C SER A 75 1.788 5.572 11.809 1.00 0.00 C ATOM 1158 O SER A 75 1.942 5.845 13.000 1.00 0.00 O ATOM 1159 CB SER A 75 2.126 7.999 11.231 1.00 0.00 C ATOM 1160 OG SER A 75 1.816 9.011 10.282 1.00 0.00 O ATOM 0 H SER A 75 -0.035 7.661 10.352 1.00 0.00 H new ATOM 0 HA SER A 75 2.427 6.258 9.958 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.606 8.199 12.168 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.194 8.013 11.450 1.00 0.00 H new ATOM 0 HG SER A 75 2.078 9.885 10.639 1.00 0.00 H new ATOM 1166 N ASN A 76 1.720 4.322 11.380 1.00 0.00 N ATOM 1167 CA ASN A 76 1.560 3.133 12.231 1.00 0.00 C ATOM 1168 C ASN A 76 2.852 2.750 12.982 1.00 0.00 C ATOM 1169 O ASN A 76 2.811 1.929 13.897 1.00 0.00 O ATOM 1170 CB ASN A 76 1.030 1.949 11.396 1.00 0.00 C ATOM 1171 CG ASN A 76 0.076 1.048 12.175 1.00 0.00 C ATOM 1172 OD1 ASN A 76 0.449 0.388 13.143 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -1.182 0.979 11.781 1.00 0.00 N ATOM 0 H ASN A 76 1.776 4.088 10.389 1.00 0.00 H new ATOM 0 HA ASN A 76 0.829 3.385 12.999 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.518 2.334 10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.873 1.356 11.042 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.840 0.380 12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.496 1.525 10.978 1.00 0.00 H new ATOM 1180 N LYS A 77 3.992 3.359 12.623 1.00 0.00 N ATOM 1181 CA LYS A 77 5.257 3.389 13.375 1.00 0.00 C ATOM 1182 C LYS A 77 5.825 2.020 13.788 1.00 0.00 C ATOM 1183 O LYS A 77 6.539 1.913 14.778 1.00 0.00 O ATOM 1184 CB LYS A 77 5.098 4.357 14.566 1.00 0.00 C ATOM 1185 CG LYS A 77 6.392 5.120 14.887 1.00 0.00 C ATOM 1186 CD LYS A 77 6.168 6.102 16.043 1.00 0.00 C ATOM 1187 CE LYS A 77 7.269 7.165 16.087 1.00 0.00 C ATOM 1188 NZ LYS A 77 7.135 8.026 17.276 1.00 0.00 N ATOM 0 H LYS A 77 4.060 3.876 11.746 1.00 0.00 H new ATOM 0 HA LYS A 77 6.023 3.754 12.691 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.305 5.072 14.345 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.784 3.795 15.446 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.181 4.415 15.150 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.730 5.661 14.003 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.197 6.585 15.931 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.146 5.558 16.987 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.245 6.680 16.095 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.224 7.776 15.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.895 8.736 17.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.213 8.506 17.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.203 7.444 18.135 1.00 0.00 H new ATOM 1202 N ARG A 78 5.563 0.954 13.027 1.00 0.00 N ATOM 1203 CA ARG A 78 5.946 -0.415 13.397 1.00 0.00 C ATOM 1204 C ARG A 78 7.444 -0.751 13.324 1.00 0.00 C ATOM 1205 O ARG A 78 7.776 -1.930 13.430 1.00 0.00 O ATOM 1206 CB ARG A 78 5.123 -1.422 12.565 1.00 0.00 C ATOM 1207 CG ARG A 78 3.635 -1.428 12.923 1.00 0.00 C ATOM 1208 CD ARG A 78 3.440 -1.892 14.368 1.00 0.00 C ATOM 1209 NE ARG A 78 2.722 -0.922 15.207 1.00 0.00 N ATOM 1210 CZ ARG A 78 2.473 -1.121 16.508 1.00 0.00 C ATOM 1211 NH1 ARG A 78 2.879 -2.236 17.101 1.00 0.00 N ATOM 1212 NH2 ARG A 78 1.794 -0.218 17.206 1.00 0.00 N ATOM 0 H ARG A 78 5.077 1.015 12.132 1.00 0.00 H new ATOM 0 HA ARG A 78 5.717 -0.492 14.460 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.234 -1.185 11.507 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.529 -2.423 12.712 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.219 -0.429 12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.093 -2.088 12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.892 -2.834 14.367 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.416 -2.091 14.811 1.00 0.00 H new ATOM 0 HE ARG A 78 2.398 -0.055 14.778 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.382 -2.944 16.566 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.688 -2.385 18.092 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.460 0.632 16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.607 -0.374 18.196 1.00 0.00 H new ATOM 1226 N LYS A 79 8.329 0.237 13.161 1.00 0.00 N ATOM 1227 CA LYS A 79 9.662 0.150 12.534 1.00 0.00 C ATOM 1228 C LYS A 79 9.508 -0.268 11.065 1.00 0.00 C ATOM 1229 O LYS A 79 8.589 -1.011 10.720 1.00 0.00 O ATOM 1230 CB LYS A 79 10.571 -0.790 13.349 1.00 0.00 C ATOM 1231 CG LYS A 79 12.032 -0.878 12.880 1.00 0.00 C ATOM 1232 CD LYS A 79 12.744 -2.142 13.400 1.00 0.00 C ATOM 1233 CE LYS A 79 13.146 -2.101 14.881 1.00 0.00 C ATOM 1234 NZ LYS A 79 12.010 -2.210 15.820 1.00 0.00 N ATOM 0 H LYS A 79 8.125 1.183 13.483 1.00 0.00 H new ATOM 0 HA LYS A 79 10.151 1.124 12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.562 -0.463 14.389 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.141 -1.791 13.326 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.061 -0.871 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.573 0.005 13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.090 -3.000 13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.639 -2.308 12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.846 -2.913 15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.676 -1.169 15.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.319 -2.701 16.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.670 -1.258 16.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.240 -2.748 15.373 1.00 0.00 H new ATOM 1248 N GLY A 80 10.330 0.258 10.155 1.00 0.00 N ATOM 1249 CA GLY A 80 10.182 0.093 8.705 1.00 0.00 C ATOM 1250 C GLY A 80 8.999 0.883 8.140 1.00 0.00 C ATOM 1251 O GLY A 80 9.108 1.517 7.099 1.00 0.00 O ATOM 0 H GLY A 80 11.138 0.825 10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.099 0.416 8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.051 -0.964 8.475 1.00 0.00 H new ATOM 1255 N PHE A 81 7.871 0.893 8.847 1.00 0.00 N ATOM 1256 CA PHE A 81 6.586 1.396 8.394 1.00 0.00 C ATOM 1257 C PHE A 81 6.594 2.870 7.995 1.00 0.00 C ATOM 1258 O PHE A 81 5.773 3.288 7.188 1.00 0.00 O ATOM 1259 CB PHE A 81 5.563 1.128 9.498 1.00 0.00 C ATOM 1260 CG PHE A 81 4.133 1.043 9.002 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.340 2.186 8.784 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.609 -0.222 8.701 1.00 0.00 C ATOM 1263 CE1 PHE A 81 2.037 2.040 8.269 1.00 0.00 C ATOM 1264 CE2 PHE A 81 2.308 -0.367 8.206 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.518 0.770 7.986 1.00 0.00 C ATOM 0 H PHE A 81 7.832 0.531 9.800 1.00 0.00 H new ATOM 0 HA PHE A 81 6.324 0.869 7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.820 0.195 9.999 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.632 1.920 10.244 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.728 3.168 9.010 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.220 -1.100 8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.432 2.916 8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.914 -1.350 7.994 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.514 0.667 7.600 1.00 0.00 H new ATOM 1275 N ASN A 82 7.439 3.700 8.606 1.00 0.00 N ATOM 1276 CA ASN A 82 7.470 5.124 8.265 1.00 0.00 C ATOM 1277 C ASN A 82 8.295 5.352 7.014 1.00 0.00 C ATOM 1278 O ASN A 82 7.960 6.236 6.228 1.00 0.00 O ATOM 1279 CB ASN A 82 8.041 5.933 9.433 1.00 0.00 C ATOM 1280 CG ASN A 82 7.010 6.854 10.049 1.00 0.00 C ATOM 1281 OD1 ASN A 82 7.295 7.999 10.373 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.820 6.356 10.344 1.00 0.00 N ATOM 0 H ASN A 82 8.102 3.418 9.328 1.00 0.00 H new ATOM 0 HA ASN A 82 6.451 5.458 8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.418 5.251 10.195 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.889 6.522 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.138 6.927 10.843 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.585 5.401 10.073 1.00 0.00 H new ATOM 1289 N GLU A 83 9.330 4.531 6.842 1.00 0.00 N ATOM 1290 CA GLU A 83 10.123 4.410 5.638 1.00 0.00 C ATOM 1291 C GLU A 83 9.172 4.007 4.522 1.00 0.00 C ATOM 1292 O GLU A 83 9.010 4.773 3.587 1.00 0.00 O ATOM 1293 CB GLU A 83 11.242 3.378 5.864 1.00 0.00 C ATOM 1294 CG GLU A 83 12.640 3.961 5.661 1.00 0.00 C ATOM 1295 CD GLU A 83 13.669 2.949 6.154 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.848 2.860 7.396 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.262 2.231 5.317 1.00 0.00 O ATOM 0 H GLU A 83 9.647 3.904 7.581 1.00 0.00 H new ATOM 0 HA GLU A 83 10.613 5.346 5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.163 2.980 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.100 2.541 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.806 4.186 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.741 4.899 6.207 1.00 0.00 H new ATOM 1304 N GLY A 84 8.463 2.882 4.650 1.00 0.00 N ATOM 1305 CA GLY A 84 7.625 2.365 3.579 1.00 0.00 C ATOM 1306 C GLY A 84 6.457 3.280 3.233 1.00 0.00 C ATOM 1307 O GLY A 84 6.085 3.368 2.066 1.00 0.00 O ATOM 0 H GLY A 84 8.457 2.311 5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.236 2.215 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.239 1.388 3.869 1.00 0.00 H new ATOM 1311 N LEU A 85 5.884 3.989 4.213 1.00 0.00 N ATOM 1312 CA LEU A 85 4.856 4.995 3.942 1.00 0.00 C ATOM 1313 C LEU A 85 5.419 6.191 3.166 1.00 0.00 C ATOM 1314 O LEU A 85 4.665 6.857 2.458 1.00 0.00 O ATOM 1315 CB LEU A 85 4.253 5.532 5.246 1.00 0.00 C ATOM 1316 CG LEU A 85 3.170 4.690 5.939 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.789 5.441 7.221 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.925 4.466 5.078 1.00 0.00 C ATOM 0 H LEU A 85 6.117 3.883 5.200 1.00 0.00 H new ATOM 0 HA LEU A 85 4.093 4.495 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.067 5.678 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.830 6.515 5.039 1.00 0.00 H new ATOM 0 HG LEU A 85 3.569 3.695 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.019 4.883 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.668 5.545 7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.409 6.430 6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.204 3.864 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.478 5.428 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.205 3.946 4.162 1.00 0.00 H new ATOM 1330 N TRP A 86 6.698 6.523 3.333 1.00 0.00 N ATOM 1331 CA TRP A 86 7.378 7.513 2.508 1.00 0.00 C ATOM 1332 C TRP A 86 7.686 6.905 1.142 1.00 0.00 C ATOM 1333 O TRP A 86 7.460 7.548 0.118 1.00 0.00 O ATOM 1334 CB TRP A 86 8.604 8.044 3.264 1.00 0.00 C ATOM 1335 CG TRP A 86 9.438 9.014 2.497 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.398 10.359 2.577 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.411 8.710 1.462 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.283 10.891 1.658 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.913 9.918 0.915 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.868 7.508 0.907 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.817 9.931 -0.158 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.768 7.494 -0.176 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.244 8.709 -0.705 1.00 0.00 C ATOM 0 H TRP A 86 7.293 6.108 4.050 1.00 0.00 H new ATOM 0 HA TRP A 86 6.746 8.380 2.314 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.267 8.523 4.184 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.228 7.199 3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 86 8.775 10.929 3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.450 11.891 1.543 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.523 6.571 1.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.179 10.867 -0.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.092 6.555 -0.599 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.938 8.702 -1.532 1.00 0.00 H new ATOM 1354 N GLU A 87 8.162 5.662 1.125 1.00 0.00 N ATOM 1355 CA GLU A 87 8.668 4.981 -0.050 1.00 0.00 C ATOM 1356 C GLU A 87 7.557 4.801 -1.069 1.00 0.00 C ATOM 1357 O GLU A 87 7.828 4.937 -2.257 1.00 0.00 O ATOM 1358 CB GLU A 87 9.263 3.617 0.347 1.00 0.00 C ATOM 1359 CG GLU A 87 10.660 3.397 -0.234 1.00 0.00 C ATOM 1360 CD GLU A 87 11.104 1.927 -0.172 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.732 1.208 0.783 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.763 1.493 -1.147 1.00 0.00 O ATOM 0 H GLU A 87 8.205 5.085 1.965 1.00 0.00 H new ATOM 0 HA GLU A 87 9.455 5.586 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.310 3.547 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.601 2.822 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.675 3.733 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.376 4.012 0.311 1.00 0.00 H new ATOM 1369 N ILE A 88 6.336 4.507 -0.612 1.00 0.00 N ATOM 1370 CA ILE A 88 5.183 4.258 -1.458 1.00 0.00 C ATOM 1371 C ILE A 88 4.662 5.553 -2.081 1.00 0.00 C ATOM 1372 O ILE A 88 4.408 5.574 -3.286 1.00 0.00 O ATOM 1373 CB ILE A 88 4.112 3.483 -0.661 1.00 0.00 C ATOM 1374 CG1 ILE A 88 3.063 2.910 -1.626 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.425 4.309 0.444 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.389 1.671 -1.047 1.00 0.00 C ATOM 0 H ILE A 88 6.125 4.436 0.383 1.00 0.00 H new ATOM 0 HA ILE A 88 5.475 3.630 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 88 4.637 2.680 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.310 3.669 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.538 2.658 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.687 3.691 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.172 4.650 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.929 5.172 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.653 1.292 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.139 0.903 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.892 1.930 -0.112 1.00 0.00 H new ATOM 1388 N GLU A 89 4.541 6.633 -1.294 1.00 0.00 N ATOM 1389 CA GLU A 89 4.122 7.942 -1.787 1.00 0.00 C ATOM 1390 C GLU A 89 5.069 8.330 -2.921 1.00 0.00 C ATOM 1391 O GLU A 89 4.638 8.510 -4.062 1.00 0.00 O ATOM 1392 CB GLU A 89 4.103 9.006 -0.667 1.00 0.00 C ATOM 1393 CG GLU A 89 2.722 9.133 0.010 1.00 0.00 C ATOM 1394 CD GLU A 89 2.535 10.449 0.791 1.00 0.00 C ATOM 1395 OE1 GLU A 89 3.536 11.090 1.185 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.369 10.857 1.021 1.00 0.00 O ATOM 0 H GLU A 89 4.734 6.616 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 89 3.097 7.889 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.849 8.750 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.389 9.972 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.945 9.059 -0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.582 8.293 0.691 1.00 0.00 H new ATOM 1403 N ASN A 90 6.364 8.337 -2.609 1.00 0.00 N ATOM 1404 CA ASN A 90 7.440 8.722 -3.510 1.00 0.00 C ATOM 1405 C ASN A 90 7.752 7.646 -4.555 1.00 0.00 C ATOM 1406 O ASN A 90 8.595 7.881 -5.417 1.00 0.00 O ATOM 1407 CB ASN A 90 8.683 9.096 -2.685 1.00 0.00 C ATOM 1408 CG ASN A 90 8.425 10.365 -1.881 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.433 11.471 -2.416 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.082 10.238 -0.614 1.00 0.00 N ATOM 0 H ASN A 90 6.701 8.064 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 90 7.112 9.592 -4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.941 8.278 -2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.536 9.245 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.821 11.061 -0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.078 9.317 -0.177 1.00 0.00 H new ATOM 1417 N SER A 91 7.109 6.471 -4.528 1.00 0.00 N ATOM 1418 CA SER A 91 7.233 5.490 -5.600 1.00 0.00 C ATOM 1419 C SER A 91 6.268 5.822 -6.731 1.00 0.00 C ATOM 1420 O SER A 91 6.573 5.518 -7.890 1.00 0.00 O ATOM 1421 CB SER A 91 6.934 4.060 -5.122 1.00 0.00 C ATOM 1422 OG SER A 91 7.284 3.128 -6.136 1.00 0.00 O ATOM 0 H SER A 91 6.495 6.181 -3.767 1.00 0.00 H new ATOM 0 HA SER A 91 8.266 5.535 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.494 3.847 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.877 3.963 -4.876 1.00 0.00 H new ATOM 0 HG SER A 91 6.702 2.342 -6.072 1.00 0.00 H new ATOM 1428 N GLY A 92 5.072 6.313 -6.402 1.00 0.00 N ATOM 1429 CA GLY A 92 3.979 6.364 -7.355 1.00 0.00 C ATOM 1430 C GLY A 92 3.972 7.664 -8.142 1.00 0.00 C ATOM 1431 O GLY A 92 4.689 8.606 -7.798 1.00 0.00 O ATOM 0 H GLY A 92 4.842 6.680 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.059 5.523 -8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.032 6.254 -6.827 1.00 0.00 H new ATOM 1435 N PRO A 93 3.129 7.729 -9.183 1.00 0.00 N ATOM 1436 CA PRO A 93 2.924 8.938 -9.951 1.00 0.00 C ATOM 1437 C PRO A 93 2.335 9.992 -9.013 1.00 0.00 C ATOM 1438 O PRO A 93 1.227 9.831 -8.490 1.00 0.00 O ATOM 1439 CB PRO A 93 2.010 8.543 -11.110 1.00 0.00 C ATOM 1440 CG PRO A 93 1.284 7.279 -10.647 1.00 0.00 C ATOM 1441 CD PRO A 93 2.203 6.678 -9.583 1.00 0.00 C ATOM 0 HA PRO A 93 3.832 9.375 -10.367 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.303 9.339 -11.341 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.585 8.355 -12.017 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.302 7.513 -10.237 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.127 6.586 -11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.626 6.326 -8.728 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.743 5.818 -9.980 1.00 0.00 H new ATOM 1449 N SER A 94 3.117 11.022 -8.733 1.00 0.00 N ATOM 1450 CA SER A 94 2.850 12.102 -7.804 1.00 0.00 C ATOM 1451 C SER A 94 3.308 13.364 -8.527 1.00 0.00 C ATOM 1452 O SER A 94 4.229 13.297 -9.341 1.00 0.00 O ATOM 1453 CB SER A 94 3.648 11.817 -6.524 1.00 0.00 C ATOM 1454 OG SER A 94 3.615 12.892 -5.610 1.00 0.00 O ATOM 0 H SER A 94 4.025 11.131 -9.186 1.00 0.00 H new ATOM 0 HA SER A 94 1.805 12.209 -7.512 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.248 10.924 -6.043 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.683 11.601 -6.787 1.00 0.00 H new ATOM 0 HG SER A 94 4.136 12.660 -4.813 1.00 0.00 H new ATOM 1460 N SER A 95 2.675 14.508 -8.270 1.00 0.00 N ATOM 1461 CA SER A 95 2.998 15.792 -8.899 1.00 0.00 C ATOM 1462 C SER A 95 2.927 15.842 -10.441 1.00 0.00 C ATOM 1463 O SER A 95 3.155 16.912 -11.001 1.00 0.00 O ATOM 1464 CB SER A 95 4.357 16.282 -8.375 1.00 0.00 C ATOM 1465 OG SER A 95 4.291 16.442 -6.968 1.00 0.00 O ATOM 0 H SER A 95 1.905 14.571 -7.604 1.00 0.00 H new ATOM 0 HA SER A 95 2.198 16.471 -8.604 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.138 15.567 -8.634 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.621 17.228 -8.847 1.00 0.00 H new ATOM 0 HG SER A 95 5.158 16.753 -6.633 1.00 0.00 H new ATOM 1471 N GLY A 96 2.542 14.767 -11.136 1.00 0.00 N ATOM 1472 CA GLY A 96 2.481 14.696 -12.591 1.00 0.00 C ATOM 1473 C GLY A 96 1.146 14.129 -12.999 1.00 0.00 C ATOM 1474 O GLY A 96 0.122 14.777 -12.720 1.00 0.00 O ATOM 0 H GLY A 96 2.257 13.898 -10.684 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.616 15.688 -13.022 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.288 14.070 -12.972 1.00 0.00 H new TER 1478 GLY A 96