USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 728 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 120:sc= -1.14 USER MOD Single : A 11 GLN :FLIP amide:sc= -5.66! C(o=-8.3!,f=-5.7!) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= -0.0135 (180deg=-0.0809) USER MOD Single : A 15 ASN :FLIP amide:sc= -2.64 F(o=-6.2!,f=-2.6) USER MOD Single : A 18 ASN : amide:sc= -0.922 K(o=-0.92,f=-5!) USER MOD Single : A 25 THR OG1 : rot 73:sc= 0.389 USER MOD Single : A 26 SER OG : rot -66:sc= 0.394! USER MOD Single : A 28 GLN : amide:sc=-0.00908 X(o=-0.0091,f=-0.3) USER MOD Single : A 31 THR OG1 : rot 53:sc= -0.636! USER MOD Single : A 32 SER OG : rot 83:sc= 0.649 USER MOD Single : A 38 SER OG : rot 63:sc= -5.92! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 140:sc= -7.4! (180deg=-12.4!) USER MOD Single : A 53 GLN : amide:sc= -2.15 K(o=-2.1,f=-13!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -167:sc= -14.8! (180deg=-16.1!) USER MOD Single : A 61 GLN :FLIP amide:sc= -3.91! C(o=-4.7!,f=-3.9!) USER MOD Single : A 63 SER OG : rot 62:sc= 0.983 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.2 K(o=-1.2,f=-5.6!) USER MOD Single : A 70 TYR OH : rot -130:sc= -1.02 USER MOD Single : A 74 SER OG : rot 180:sc= -1.95! USER MOD Single : A 82 ASN : amide:sc= -3.38! C(o=-3.4!,f=-3!) USER MOD Single : A 86 SER OG : rot 180:sc= -2.76! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -151:sc= -0.0663 (180deg=-0.696) USER MOD Single : A 100 SER OG : rot 180:sc= -0.302 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 106 TYR OH : rot 25:sc= -19.4! USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 2 -7.658 -9.237 18.149 1.00 1.00 N ATOM 17 CA LYS A 2 -7.529 -8.006 17.389 1.00 1.00 C ATOM 18 C LYS A 2 -6.161 -7.977 16.703 1.00 1.00 C ATOM 19 O LYS A 2 -5.232 -8.656 17.135 1.00 1.00 O ATOM 20 CB LYS A 2 -7.794 -6.793 18.284 1.00 1.00 C ATOM 21 CG LYS A 2 -8.796 -7.135 19.388 1.00 1.00 C ATOM 22 CD LYS A 2 -8.969 -5.962 20.354 1.00 1.00 C ATOM 23 CE LYS A 2 -10.436 -5.539 20.445 1.00 1.00 C ATOM 24 NZ LYS A 2 -10.729 -4.967 21.779 1.00 1.00 N ATOM 0 HA LYS A 2 -8.282 -7.963 16.602 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -6.859 -6.454 18.729 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -8.178 -5.969 17.682 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -9.758 -7.390 18.944 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.454 -8.014 19.935 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -8.606 -6.244 21.342 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -8.364 -5.119 20.020 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -10.657 -4.804 19.671 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -11.081 -6.399 20.262 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.729 -4.685 21.824 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.537 -5.679 22.512 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.127 -4.134 21.939 1.00 1.00 H new ATOM 38 N PRO A 3 -6.081 -7.162 15.617 1.00 1.00 N ATOM 39 CA PRO A 3 -4.843 -7.035 14.866 1.00 1.00 C ATOM 40 C PRO A 3 -3.827 -6.181 15.625 1.00 1.00 C ATOM 41 O PRO A 3 -2.759 -6.664 15.997 1.00 1.00 O ATOM 42 CB PRO A 3 -5.251 -6.429 13.533 1.00 1.00 C ATOM 43 CG PRO A 3 -6.621 -5.811 13.758 1.00 1.00 C ATOM 44 CD PRO A 3 -7.162 -6.343 15.076 1.00 1.00 C ATOM 0 HA PRO A 3 -4.342 -7.991 14.716 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.532 -5.677 13.209 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -5.289 -7.190 12.753 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.549 -4.724 13.786 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -7.294 -6.065 12.939 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.421 -5.530 15.755 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -8.067 -6.932 14.924 1.00 1.00 H new ATOM 52 N ALA A 4 -4.195 -4.925 15.833 1.00 1.00 N ATOM 53 CA ALA A 4 -3.329 -3.998 16.542 1.00 1.00 C ATOM 54 C ALA A 4 -4.059 -2.668 16.732 1.00 1.00 C ATOM 55 O ALA A 4 -5.269 -2.584 16.525 1.00 1.00 O ATOM 56 CB ALA A 4 -2.015 -3.838 15.774 1.00 1.00 C ATOM 0 H ALA A 4 -5.082 -4.528 15.523 1.00 1.00 H new ATOM 0 HA ALA A 4 -3.083 -4.383 17.532 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -1.365 -3.143 16.306 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -1.521 -4.806 15.692 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -2.222 -3.451 14.776 1.00 1.00 H new ATOM 62 N ALA A 5 -3.294 -1.659 17.122 1.00 1.00 N ATOM 63 CA ALA A 5 -3.853 -0.336 17.341 1.00 1.00 C ATOM 64 C ALA A 5 -2.992 0.703 16.619 1.00 1.00 C ATOM 65 O ALA A 5 -3.471 1.784 16.282 1.00 1.00 O ATOM 66 CB ALA A 5 -3.954 -0.067 18.844 1.00 1.00 C ATOM 0 H ALA A 5 -2.291 -1.731 17.292 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.860 -0.272 16.930 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.373 0.926 19.009 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.600 -0.815 19.305 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -2.961 -0.120 19.291 1.00 1.00 H new ATOM 72 N CYS A 6 -1.737 0.339 16.405 1.00 1.00 N ATOM 73 CA CYS A 6 -0.805 1.225 15.729 1.00 1.00 C ATOM 74 C CYS A 6 -1.159 1.250 14.241 1.00 1.00 C ATOM 75 O CYS A 6 -0.542 1.978 13.465 1.00 1.00 O ATOM 76 CB CYS A 6 0.647 0.805 15.965 1.00 1.00 C ATOM 77 SG CYS A 6 1.181 0.835 17.714 1.00 1.00 S ATOM 0 H CYS A 6 -1.343 -0.558 16.688 1.00 1.00 H new ATOM 0 HA CYS A 6 -0.893 2.231 16.138 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.787 -0.203 15.575 1.00 1.00 H new ATOM 0 HB3 CYS A 6 1.299 1.463 15.390 1.00 1.00 H new ATOM 82 N ARG A 7 -2.149 0.445 13.887 1.00 1.00 N ATOM 83 CA ARG A 7 -2.592 0.366 12.505 1.00 1.00 C ATOM 84 C ARG A 7 -4.094 0.642 12.413 1.00 1.00 C ATOM 85 O ARG A 7 -4.744 0.240 11.448 1.00 1.00 O ATOM 86 CB ARG A 7 -2.296 -1.012 11.911 1.00 1.00 C ATOM 87 CG ARG A 7 -0.935 -1.530 12.377 1.00 1.00 C ATOM 88 CD ARG A 7 -0.969 -3.045 12.597 1.00 1.00 C ATOM 89 NE ARG A 7 0.355 -3.519 13.058 1.00 1.00 N ATOM 90 CZ ARG A 7 0.914 -3.168 14.224 1.00 1.00 C ATOM 91 NH1 ARG A 7 0.268 -2.338 15.054 1.00 1.00 N ATOM 92 NH2 ARG A 7 2.119 -3.648 14.562 1.00 1.00 N ATOM 0 H ARG A 7 -2.657 -0.159 14.533 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.046 1.119 11.937 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.076 -1.714 12.205 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -2.314 -0.954 10.823 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -0.175 -1.284 11.635 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -0.650 -1.031 13.303 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -1.732 -3.297 13.334 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -1.243 -3.549 11.670 1.00 1.00 H new ATOM 0 HE ARG A 7 0.874 -4.152 12.450 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -0.650 -1.973 14.798 1.00 1.00 H new ATOM 0 HH12 ARG A 7 0.694 -2.071 15.942 1.00 1.00 H new ATOM 0 HH21 ARG A 7 2.611 -4.281 13.931 1.00 1.00 H new ATOM 0 HH22 ARG A 7 2.544 -3.380 15.450 1.00 1.00 H new ATOM 106 N CYS A 8 -4.602 1.326 13.428 1.00 1.00 N ATOM 107 CA CYS A 8 -6.015 1.661 13.473 1.00 1.00 C ATOM 108 C CYS A 8 -6.177 2.956 14.269 1.00 1.00 C ATOM 109 O CYS A 8 -6.963 3.826 13.896 1.00 1.00 O ATOM 110 CB CYS A 8 -6.848 0.521 14.062 1.00 1.00 C ATOM 111 SG CYS A 8 -6.245 -1.160 13.658 1.00 1.00 S ATOM 0 H CYS A 8 -4.060 1.657 14.226 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.388 1.810 12.460 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.874 0.631 15.146 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.874 0.619 13.707 1.00 1.00 H new ATOM 116 N SER A 9 -5.419 3.046 15.353 1.00 1.00 N ATOM 117 CA SER A 9 -5.468 4.220 16.206 1.00 1.00 C ATOM 118 C SER A 9 -4.447 5.256 15.731 1.00 1.00 C ATOM 119 O SER A 9 -4.809 6.383 15.399 1.00 1.00 O ATOM 120 CB SER A 9 -5.208 3.851 17.669 1.00 1.00 C ATOM 121 OG SER A 9 -3.826 3.934 18.002 1.00 1.00 O ATOM 0 H SER A 9 -4.767 2.324 15.659 1.00 1.00 H new ATOM 0 HA SER A 9 -6.468 4.648 16.140 1.00 1.00 H new ATOM 0 HB2 SER A 9 -5.778 4.516 18.318 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.566 2.839 17.857 1.00 1.00 H new ATOM 0 HG SER A 9 -3.701 4.589 18.720 1.00 1.00 H new ATOM 127 N ARG A 10 -3.190 4.836 15.712 1.00 1.00 N ATOM 128 CA ARG A 10 -2.114 5.712 15.284 1.00 1.00 C ATOM 129 C ARG A 10 -1.949 5.645 13.764 1.00 1.00 C ATOM 130 O ARG A 10 -0.932 6.081 13.227 1.00 1.00 O ATOM 131 CB ARG A 10 -0.792 5.329 15.952 1.00 1.00 C ATOM 132 CG ARG A 10 0.008 6.574 16.339 1.00 1.00 C ATOM 133 CD ARG A 10 -0.430 7.105 17.705 1.00 1.00 C ATOM 134 NE ARG A 10 0.749 7.570 18.469 1.00 1.00 N ATOM 135 CZ ARG A 10 0.677 8.232 19.631 1.00 1.00 C ATOM 136 NH1 ARG A 10 -0.517 8.512 20.171 1.00 1.00 N ATOM 137 NH2 ARG A 10 1.800 8.615 20.254 1.00 1.00 N ATOM 0 H ARG A 10 -2.893 3.900 15.987 1.00 1.00 H new ATOM 0 HA ARG A 10 -2.375 6.728 15.580 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -0.990 4.729 16.840 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -0.204 4.711 15.274 1.00 1.00 H new ATOM 0 HG2 ARG A 10 1.071 6.335 16.362 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -0.128 7.348 15.583 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -1.137 7.925 17.576 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -0.948 6.322 18.260 1.00 1.00 H new ATOM 0 HE ARG A 10 1.674 7.374 18.087 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -1.372 8.221 19.697 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -0.571 9.016 21.056 1.00 1.00 H new ATOM 0 HH21 ARG A 10 2.709 8.402 19.843 1.00 1.00 H new ATOM 0 HH22 ARG A 10 1.746 9.119 21.139 1.00 1.00 H new ATOM 151 N GLN A 11 -2.963 5.093 13.114 1.00 1.00 N ATOM 152 CA GLN A 11 -2.942 4.962 11.668 1.00 1.00 C ATOM 153 C GLN A 11 -2.844 6.340 11.011 1.00 1.00 C ATOM 154 O GLN A 11 -2.421 7.305 11.646 1.00 1.00 O ATOM 155 CB GLN A 11 -4.174 4.204 11.168 1.00 1.00 C ATOM 156 CG GLN A 11 -5.417 5.095 11.199 1.00 1.00 C ATOM 157 CD GLN A 11 -6.688 4.272 10.983 1.00 1.00 C ATOM 158 OE1 GLN A 11 -6.482 3.108 10.375 1.00 1.00 O flip ATOM 159 NE2 GLN A 11 -7.784 4.668 11.345 1.00 1.00 N flip ATOM 0 H GLN A 11 -3.805 4.731 13.563 1.00 1.00 H new ATOM 0 HA GLN A 11 -2.061 4.384 11.389 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -4.000 3.851 10.151 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -4.339 3.322 11.787 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -5.473 5.613 12.156 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -5.339 5.860 10.427 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -7.872 5.573 11.807 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -8.612 4.094 11.186 1.00 1.00 H new ATOM 168 N ASP A 12 -3.240 6.389 9.747 1.00 1.00 N ATOM 169 CA ASP A 12 -3.201 7.634 8.999 1.00 1.00 C ATOM 170 C ASP A 12 -4.456 8.451 9.312 1.00 1.00 C ATOM 171 O ASP A 12 -5.528 7.890 9.532 1.00 1.00 O ATOM 172 CB ASP A 12 -3.174 7.369 7.492 1.00 1.00 C ATOM 173 CG ASP A 12 -3.303 8.615 6.614 1.00 1.00 C ATOM 174 OD1 ASP A 12 -4.348 9.291 6.740 1.00 1.00 O ATOM 175 OD2 ASP A 12 -2.357 8.864 5.837 1.00 1.00 O ATOM 0 H ASP A 12 -3.589 5.587 9.223 1.00 1.00 H new ATOM 0 HA ASP A 12 -2.299 8.173 9.288 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -2.241 6.863 7.244 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.984 6.683 7.244 1.00 1.00 H new ATOM 180 N PRO A 13 -4.275 9.799 9.322 1.00 1.00 N ATOM 181 CA PRO A 13 -5.380 10.700 9.605 1.00 1.00 C ATOM 182 C PRO A 13 -6.325 10.802 8.406 1.00 1.00 C ATOM 183 O PRO A 13 -6.248 11.752 7.630 1.00 1.00 O ATOM 184 CB PRO A 13 -4.725 12.025 9.960 1.00 1.00 C ATOM 185 CG PRO A 13 -3.308 11.950 9.414 1.00 1.00 C ATOM 186 CD PRO A 13 -3.019 10.499 9.067 1.00 1.00 C ATOM 0 HA PRO A 13 -6.010 10.350 10.423 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -5.269 12.860 9.519 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -4.720 12.181 11.039 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -3.205 12.581 8.532 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -2.594 12.315 10.152 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -2.712 10.394 8.026 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -2.211 10.099 9.680 1.00 1.00 H new ATOM 194 N LYS A 14 -7.195 9.809 8.295 1.00 1.00 N ATOM 195 CA LYS A 14 -8.154 9.774 7.203 1.00 1.00 C ATOM 196 C LYS A 14 -7.626 8.861 6.095 1.00 1.00 C ATOM 197 O LYS A 14 -6.751 9.255 5.326 1.00 1.00 O ATOM 198 CB LYS A 14 -8.479 11.193 6.730 1.00 1.00 C ATOM 199 CG LYS A 14 -9.855 11.247 6.064 1.00 1.00 C ATOM 200 CD LYS A 14 -9.734 11.614 4.584 1.00 1.00 C ATOM 201 CE LYS A 14 -9.490 13.114 4.409 1.00 1.00 C ATOM 202 NZ LYS A 14 -8.119 13.360 3.906 1.00 1.00 N ATOM 0 H LYS A 14 -7.256 9.023 8.942 1.00 1.00 H new ATOM 0 HA LYS A 14 -9.100 9.351 7.540 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -8.454 11.877 7.578 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -7.717 11.529 6.027 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.349 10.281 6.163 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.481 11.979 6.574 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -8.915 11.054 4.133 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -10.645 11.326 4.059 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -10.219 13.528 3.713 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -9.632 13.625 5.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -7.743 14.230 4.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -7.507 12.558 4.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -8.142 13.465 2.872 1.00 1.00 H new ATOM 216 N ASN A 15 -8.182 7.659 6.048 1.00 1.00 N ATOM 217 CA ASN A 15 -7.778 6.687 5.046 1.00 1.00 C ATOM 218 C ASN A 15 -9.025 6.076 4.402 1.00 1.00 C ATOM 219 O ASN A 15 -8.921 5.175 3.573 1.00 1.00 O ATOM 220 CB ASN A 15 -6.968 5.552 5.676 1.00 1.00 C ATOM 221 CG ASN A 15 -5.478 5.703 5.362 1.00 1.00 C ATOM 222 OD1 ASN A 15 -5.071 6.965 5.266 1.00 1.00 O flip ATOM 223 ND2 ASN A 15 -4.746 4.737 5.217 1.00 1.00 N flip ATOM 0 H ASN A 15 -8.908 7.336 6.687 1.00 1.00 H new ATOM 0 HA ASN A 15 -7.165 7.201 4.305 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -7.117 5.549 6.756 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -7.327 4.593 5.302 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -5.123 3.793 5.304 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -3.757 4.873 5.009 1.00 1.00 H new ATOM 230 N ARG A 16 -10.175 6.595 4.808 1.00 1.00 N ATOM 231 CA ARG A 16 -11.440 6.112 4.281 1.00 1.00 C ATOM 232 C ARG A 16 -11.507 4.587 4.373 1.00 1.00 C ATOM 233 O ARG A 16 -10.862 3.985 5.231 1.00 1.00 O ATOM 234 CB ARG A 16 -11.626 6.536 2.822 1.00 1.00 C ATOM 235 CG ARG A 16 -11.156 7.976 2.605 1.00 1.00 C ATOM 236 CD ARG A 16 -9.869 8.013 1.779 1.00 1.00 C ATOM 237 NE ARG A 16 -10.182 7.819 0.345 1.00 1.00 N ATOM 238 CZ ARG A 16 -9.390 8.222 -0.658 1.00 1.00 C ATOM 239 NH1 ARG A 16 -8.234 8.844 -0.391 1.00 1.00 N ATOM 240 NH2 ARG A 16 -9.754 8.003 -1.929 1.00 1.00 N ATOM 0 H ARG A 16 -10.257 7.344 5.495 1.00 1.00 H new ATOM 0 HA ARG A 16 -12.238 6.551 4.881 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -11.066 5.865 2.170 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -12.676 6.447 2.545 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -11.935 8.544 2.097 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -10.988 8.457 3.569 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -9.362 8.967 1.923 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -9.186 7.234 2.119 1.00 1.00 H new ATOM 0 HE ARG A 16 -11.055 7.349 0.106 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -7.956 9.011 0.576 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -7.632 9.151 -1.155 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -10.634 7.529 -2.133 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -9.151 8.310 -2.692 1.00 1.00 H new ATOM 254 N VAL A 17 -12.292 4.006 3.479 1.00 1.00 N ATOM 255 CA VAL A 17 -12.452 2.561 3.450 1.00 1.00 C ATOM 256 C VAL A 17 -13.156 2.104 4.729 1.00 1.00 C ATOM 257 O VAL A 17 -12.782 2.511 5.827 1.00 1.00 O ATOM 258 CB VAL A 17 -11.093 1.889 3.243 1.00 1.00 C ATOM 259 CG1 VAL A 17 -11.262 0.461 2.719 1.00 1.00 C ATOM 260 CG2 VAL A 17 -10.209 2.716 2.307 1.00 1.00 C ATOM 0 H VAL A 17 -12.825 4.509 2.769 1.00 1.00 H new ATOM 0 HA VAL A 17 -13.079 2.263 2.610 1.00 1.00 H new ATOM 0 HB VAL A 17 -10.595 1.834 4.211 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -10.281 0.006 2.580 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -11.836 -0.125 3.437 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -11.790 0.483 1.765 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -9.249 2.216 2.177 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -10.699 2.818 1.339 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -10.048 3.704 2.738 1.00 1.00 H new ATOM 270 N ASN A 18 -14.165 1.265 4.543 1.00 1.00 N ATOM 271 CA ASN A 18 -14.926 0.748 5.669 1.00 1.00 C ATOM 272 C ASN A 18 -14.948 -0.780 5.605 1.00 1.00 C ATOM 273 O ASN A 18 -15.213 -1.357 4.552 1.00 1.00 O ATOM 274 CB ASN A 18 -16.372 1.244 5.629 1.00 1.00 C ATOM 275 CG ASN A 18 -17.056 1.049 6.984 1.00 1.00 C ATOM 276 OD1 ASN A 18 -17.010 -0.013 7.584 1.00 1.00 O ATOM 277 ND2 ASN A 18 -17.691 2.128 7.431 1.00 1.00 N ATOM 0 H ASN A 18 -14.473 0.930 3.630 1.00 1.00 H new ATOM 0 HA ASN A 18 -14.451 1.095 6.586 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -16.391 2.299 5.357 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -16.924 0.706 4.858 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -18.179 2.098 8.326 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -17.690 2.986 6.879 1.00 1.00 H new ATOM 284 N CYS A 19 -14.664 -1.391 6.745 1.00 1.00 N ATOM 285 CA CYS A 19 -14.648 -2.842 6.834 1.00 1.00 C ATOM 286 C CYS A 19 -15.509 -3.261 8.026 1.00 1.00 C ATOM 287 O CYS A 19 -15.001 -3.810 9.002 1.00 1.00 O ATOM 288 CB CYS A 19 -13.222 -3.386 6.940 1.00 1.00 C ATOM 289 SG CYS A 19 -13.101 -5.210 7.017 1.00 1.00 S ATOM 0 H CYS A 19 -14.443 -0.908 7.616 1.00 1.00 H new ATOM 0 HA CYS A 19 -15.063 -3.269 5.921 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -12.649 -3.034 6.082 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -12.753 -2.967 7.830 1.00 1.00 H new ATOM 294 N GLY A 20 -16.801 -2.986 7.909 1.00 1.00 N ATOM 295 CA GLY A 20 -17.737 -3.328 8.965 1.00 1.00 C ATOM 296 C GLY A 20 -19.176 -3.021 8.543 1.00 1.00 C ATOM 297 O GLY A 20 -19.590 -3.367 7.437 1.00 1.00 O ATOM 0 H GLY A 20 -17.220 -2.530 7.099 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -17.644 -4.386 9.210 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -17.492 -2.769 9.868 1.00 1.00 H new ATOM 301 N PHE A 21 -19.898 -2.373 9.445 1.00 1.00 N ATOM 302 CA PHE A 21 -21.281 -2.014 9.179 1.00 1.00 C ATOM 303 C PHE A 21 -21.795 -1.010 10.212 1.00 1.00 C ATOM 304 O PHE A 21 -21.196 -0.844 11.274 1.00 1.00 O ATOM 305 CB PHE A 21 -22.104 -3.300 9.285 1.00 1.00 C ATOM 306 CG PHE A 21 -22.030 -3.977 10.654 1.00 1.00 C ATOM 307 CD1 PHE A 21 -22.897 -3.618 11.638 1.00 1.00 C ATOM 308 CD2 PHE A 21 -21.096 -4.937 10.890 1.00 1.00 C ATOM 309 CE1 PHE A 21 -22.829 -4.245 12.910 1.00 1.00 C ATOM 310 CE2 PHE A 21 -21.028 -5.565 12.161 1.00 1.00 C ATOM 311 CZ PHE A 21 -21.895 -5.206 13.145 1.00 1.00 C ATOM 0 H PHE A 21 -19.552 -2.087 10.361 1.00 1.00 H new ATOM 0 HA PHE A 21 -21.364 -1.556 8.193 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -23.146 -3.072 9.060 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -21.761 -4.002 8.525 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -23.638 -2.855 11.452 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -20.406 -5.222 10.110 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -23.518 -3.959 13.691 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -20.287 -6.329 12.347 1.00 1.00 H new ATOM 0 HZ PHE A 21 -21.842 -5.683 14.112 1.00 1.00 H new ATOM 321 N PRO A 22 -22.927 -0.346 9.854 1.00 1.00 N ATOM 322 CA PRO A 22 -23.528 0.639 10.738 1.00 1.00 C ATOM 323 C PRO A 22 -24.251 -0.038 11.903 1.00 1.00 C ATOM 324 O PRO A 22 -25.317 -0.626 11.720 1.00 1.00 O ATOM 325 CB PRO A 22 -24.459 1.448 9.849 1.00 1.00 C ATOM 326 CG PRO A 22 -24.698 0.597 8.612 1.00 1.00 C ATOM 327 CD PRO A 22 -23.662 -0.516 8.605 1.00 1.00 C ATOM 0 HA PRO A 22 -22.790 1.286 11.212 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -25.397 1.665 10.361 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -24.011 2.406 9.584 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -25.705 0.181 8.624 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -24.614 1.203 7.710 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -24.135 -1.497 8.554 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -23.001 -0.436 7.742 1.00 1.00 H new ATOM 335 N GLY A 23 -23.644 0.065 13.076 1.00 1.00 N ATOM 336 CA GLY A 23 -24.217 -0.531 14.271 1.00 1.00 C ATOM 337 C GLY A 23 -23.255 -1.545 14.893 1.00 1.00 C ATOM 338 O GLY A 23 -23.596 -2.212 15.869 1.00 1.00 O ATOM 0 H GLY A 23 -22.761 0.553 13.225 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -24.447 0.249 14.996 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -25.158 -1.022 14.022 1.00 1.00 H new ATOM 342 N ILE A 24 -22.072 -1.631 14.303 1.00 1.00 N ATOM 343 CA ILE A 24 -21.058 -2.554 14.786 1.00 1.00 C ATOM 344 C ILE A 24 -20.729 -2.224 16.243 1.00 1.00 C ATOM 345 O ILE A 24 -21.102 -1.163 16.743 1.00 1.00 O ATOM 346 CB ILE A 24 -19.839 -2.543 13.862 1.00 1.00 C ATOM 347 CG1 ILE A 24 -19.046 -3.844 13.987 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.967 -1.312 14.120 1.00 1.00 C ATOM 349 CD1 ILE A 24 -18.254 -4.128 12.708 1.00 1.00 C ATOM 0 H ILE A 24 -21.792 -1.076 13.494 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.433 -3.577 14.767 1.00 1.00 H new ATOM 0 HB ILE A 24 -20.190 -2.478 12.832 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -18.364 -3.778 14.835 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.727 -4.671 14.189 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -18.107 -1.328 13.450 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.550 -0.409 13.940 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.622 -1.321 15.154 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -17.699 -5.059 12.823 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -18.941 -4.217 11.867 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.557 -3.311 12.522 1.00 1.00 H new ATOM 361 N THR A 25 -20.035 -3.152 16.884 1.00 1.00 N ATOM 362 CA THR A 25 -19.651 -2.974 18.274 1.00 1.00 C ATOM 363 C THR A 25 -18.152 -3.226 18.450 1.00 1.00 C ATOM 364 O THR A 25 -17.732 -3.829 19.436 1.00 1.00 O ATOM 365 CB THR A 25 -20.526 -3.893 19.128 1.00 1.00 C ATOM 366 OG1 THR A 25 -19.959 -5.187 18.938 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.948 -4.024 18.579 1.00 1.00 C ATOM 0 H THR A 25 -19.728 -4.031 16.466 1.00 1.00 H new ATOM 0 HA THR A 25 -19.817 -1.948 18.601 1.00 1.00 H new ATOM 0 HB THR A 25 -20.565 -3.512 20.148 1.00 1.00 H new ATOM 0 HG1 THR A 25 -19.105 -5.243 19.416 1.00 1.00 H new ATOM 0 HG21 THR A 25 -22.527 -4.687 19.222 1.00 1.00 H new ATOM 0 HG22 THR A 25 -22.420 -3.042 18.552 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.912 -4.437 17.571 1.00 1.00 H new ATOM 375 N SER A 26 -17.387 -2.750 17.479 1.00 1.00 N ATOM 376 CA SER A 26 -15.943 -2.917 17.513 1.00 1.00 C ATOM 377 C SER A 26 -15.586 -4.402 17.441 1.00 1.00 C ATOM 378 O SER A 26 -15.050 -4.868 16.436 1.00 1.00 O ATOM 379 CB SER A 26 -15.347 -2.288 18.774 1.00 1.00 C ATOM 380 OG SER A 26 -15.522 -3.118 19.919 1.00 1.00 O ATOM 0 H SER A 26 -17.739 -2.249 16.664 1.00 1.00 H new ATOM 0 HA SER A 26 -15.519 -2.406 16.649 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.284 -2.103 18.619 1.00 1.00 H new ATOM 0 HB3 SER A 26 -15.816 -1.320 18.953 1.00 1.00 H new ATOM 0 HG SER A 26 -16.476 -3.182 20.134 1.00 1.00 H new ATOM 386 N ASP A 27 -15.896 -5.106 18.520 1.00 1.00 N ATOM 387 CA ASP A 27 -15.614 -6.529 18.592 1.00 1.00 C ATOM 388 C ASP A 27 -15.883 -7.168 17.228 1.00 1.00 C ATOM 389 O ASP A 27 -14.951 -7.555 16.525 1.00 1.00 O ATOM 390 CB ASP A 27 -16.514 -7.218 19.621 1.00 1.00 C ATOM 391 CG ASP A 27 -16.386 -8.741 19.674 1.00 1.00 C ATOM 392 OD1 ASP A 27 -16.894 -9.387 18.731 1.00 1.00 O ATOM 393 OD2 ASP A 27 -15.785 -9.227 20.657 1.00 1.00 O ATOM 0 H ASP A 27 -16.340 -4.717 19.352 1.00 1.00 H new ATOM 0 HA ASP A 27 -14.571 -6.651 18.885 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.287 -6.815 20.608 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -17.551 -6.963 19.403 1.00 1.00 H new ATOM 398 N GLN A 28 -17.162 -7.257 16.893 1.00 1.00 N ATOM 399 CA GLN A 28 -17.565 -7.842 15.625 1.00 1.00 C ATOM 400 C GLN A 28 -16.681 -7.316 14.493 1.00 1.00 C ATOM 401 O GLN A 28 -16.547 -7.961 13.455 1.00 1.00 O ATOM 402 CB GLN A 28 -19.043 -7.567 15.340 1.00 1.00 C ATOM 403 CG GLN A 28 -19.941 -8.347 16.303 1.00 1.00 C ATOM 404 CD GLN A 28 -21.379 -8.409 15.783 1.00 1.00 C ATOM 405 OE1 GLN A 28 -21.637 -8.718 14.631 1.00 1.00 O ATOM 406 NE2 GLN A 28 -22.297 -8.096 16.692 1.00 1.00 N ATOM 0 H GLN A 28 -17.933 -6.934 17.478 1.00 1.00 H new ATOM 0 HA GLN A 28 -17.436 -8.922 15.688 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -19.243 -6.500 15.434 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -19.277 -7.845 14.312 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -19.553 -9.357 16.430 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -19.926 -7.873 17.285 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -22.012 -7.846 17.639 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -23.286 -8.105 16.442 1.00 1.00 H new ATOM 415 N CYS A 29 -16.100 -6.149 14.733 1.00 1.00 N ATOM 416 CA CYS A 29 -15.233 -5.528 13.746 1.00 1.00 C ATOM 417 C CYS A 29 -13.809 -6.043 13.967 1.00 1.00 C ATOM 418 O CYS A 29 -13.105 -6.363 13.010 1.00 1.00 O ATOM 419 CB CYS A 29 -15.304 -4.001 13.810 1.00 1.00 C ATOM 420 SG CYS A 29 -15.016 -3.152 12.216 1.00 1.00 S ATOM 0 H CYS A 29 -16.213 -5.618 15.596 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.566 -5.799 12.744 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -16.285 -3.712 14.187 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.568 -3.647 14.532 1.00 1.00 H new ATOM 425 N PHE A 30 -13.427 -6.106 15.234 1.00 1.00 N ATOM 426 CA PHE A 30 -12.100 -6.577 15.593 1.00 1.00 C ATOM 427 C PHE A 30 -12.053 -8.105 15.636 1.00 1.00 C ATOM 428 O PHE A 30 -11.043 -8.688 16.029 1.00 1.00 O ATOM 429 CB PHE A 30 -11.792 -6.028 16.988 1.00 1.00 C ATOM 430 CG PHE A 30 -11.334 -4.569 16.996 1.00 1.00 C ATOM 431 CD1 PHE A 30 -10.450 -4.129 16.061 1.00 1.00 C ATOM 432 CD2 PHE A 30 -11.810 -3.712 17.939 1.00 1.00 C ATOM 433 CE1 PHE A 30 -10.023 -2.775 16.069 1.00 1.00 C ATOM 434 CE2 PHE A 30 -11.383 -2.357 17.946 1.00 1.00 C ATOM 435 CZ PHE A 30 -10.500 -1.917 17.011 1.00 1.00 C ATOM 0 H PHE A 30 -14.013 -5.839 16.025 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.373 -6.240 14.854 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.683 -6.122 17.609 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -11.018 -6.643 17.447 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -10.073 -4.810 15.312 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -12.512 -4.061 18.682 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -9.320 -2.426 15.327 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -11.760 -1.676 18.695 1.00 1.00 H new ATOM 0 HZ PHE A 30 -10.177 -0.886 17.016 1.00 1.00 H new ATOM 445 N THR A 31 -13.158 -8.711 15.228 1.00 1.00 N ATOM 446 CA THR A 31 -13.256 -10.161 15.216 1.00 1.00 C ATOM 447 C THR A 31 -13.428 -10.671 13.784 1.00 1.00 C ATOM 448 O THR A 31 -13.299 -11.868 13.528 1.00 1.00 O ATOM 449 CB THR A 31 -14.400 -10.565 16.147 1.00 1.00 C ATOM 450 OG1 THR A 31 -14.257 -9.700 17.269 1.00 1.00 O ATOM 451 CG2 THR A 31 -14.214 -11.967 16.730 1.00 1.00 C ATOM 0 H THR A 31 -13.994 -8.224 14.903 1.00 1.00 H new ATOM 0 HA THR A 31 -12.340 -10.623 15.584 1.00 1.00 H new ATOM 0 HB THR A 31 -15.343 -10.521 15.602 1.00 1.00 H new ATOM 0 HG1 THR A 31 -14.214 -8.770 16.962 1.00 1.00 H new ATOM 0 HG21 THR A 31 -15.054 -12.204 17.383 1.00 1.00 H new ATOM 0 HG22 THR A 31 -14.168 -12.695 15.920 1.00 1.00 H new ATOM 0 HG23 THR A 31 -13.287 -12.003 17.303 1.00 1.00 H new ATOM 459 N SER A 32 -13.716 -9.739 12.887 1.00 1.00 N ATOM 460 CA SER A 32 -13.906 -10.080 11.488 1.00 1.00 C ATOM 461 C SER A 32 -12.639 -9.757 10.694 1.00 1.00 C ATOM 462 O SER A 32 -12.632 -9.845 9.466 1.00 1.00 O ATOM 463 CB SER A 32 -15.106 -9.337 10.899 1.00 1.00 C ATOM 464 OG SER A 32 -14.884 -7.930 10.834 1.00 1.00 O ATOM 0 H SER A 32 -13.822 -8.748 13.102 1.00 1.00 H new ATOM 0 HA SER A 32 -14.106 -11.149 11.420 1.00 1.00 H new ATOM 0 HB2 SER A 32 -15.313 -9.718 9.899 1.00 1.00 H new ATOM 0 HB3 SER A 32 -15.989 -9.537 11.505 1.00 1.00 H new ATOM 0 HG SER A 32 -14.380 -7.716 10.021 1.00 1.00 H new ATOM 470 N GLY A 33 -11.598 -9.389 11.425 1.00 1.00 N ATOM 471 CA GLY A 33 -10.328 -9.053 10.804 1.00 1.00 C ATOM 472 C GLY A 33 -10.296 -7.582 10.386 1.00 1.00 C ATOM 473 O GLY A 33 -9.426 -7.169 9.620 1.00 1.00 O ATOM 0 H GLY A 33 -11.608 -9.316 12.442 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.514 -9.255 11.500 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.166 -9.686 9.932 1.00 1.00 H new ATOM 477 N CYS A 34 -11.253 -6.829 10.909 1.00 1.00 N ATOM 478 CA CYS A 34 -11.344 -5.412 10.600 1.00 1.00 C ATOM 479 C CYS A 34 -10.968 -4.622 11.854 1.00 1.00 C ATOM 480 O CYS A 34 -11.007 -5.153 12.963 1.00 1.00 O ATOM 481 CB CYS A 34 -12.733 -5.035 10.082 1.00 1.00 C ATOM 482 SG CYS A 34 -13.333 -6.049 8.681 1.00 1.00 S ATOM 0 H CYS A 34 -11.972 -7.174 11.545 1.00 1.00 H new ATOM 0 HA CYS A 34 -10.650 -5.167 9.796 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -13.446 -5.117 10.903 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -12.719 -3.989 9.775 1.00 1.00 H new ATOM 487 N CYS A 35 -10.613 -3.364 11.638 1.00 1.00 N ATOM 488 CA CYS A 35 -10.229 -2.495 12.737 1.00 1.00 C ATOM 489 C CYS A 35 -11.420 -1.595 13.075 1.00 1.00 C ATOM 490 O CYS A 35 -12.434 -1.613 12.378 1.00 1.00 O ATOM 491 CB CYS A 35 -8.976 -1.682 12.406 1.00 1.00 C ATOM 492 SG CYS A 35 -7.400 -2.466 12.907 1.00 1.00 S ATOM 0 H CYS A 35 -10.583 -2.926 10.717 1.00 1.00 H new ATOM 0 HA CYS A 35 -9.970 -3.098 13.607 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -8.950 -1.501 11.331 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -9.052 -0.709 12.891 1.00 1.00 H new ATOM 497 N PHE A 36 -11.258 -0.829 14.144 1.00 1.00 N ATOM 498 CA PHE A 36 -12.307 0.076 14.582 1.00 1.00 C ATOM 499 C PHE A 36 -11.715 1.307 15.272 1.00 1.00 C ATOM 500 O PHE A 36 -11.225 1.217 16.397 1.00 1.00 O ATOM 501 CB PHE A 36 -13.169 -0.691 15.587 1.00 1.00 C ATOM 502 CG PHE A 36 -14.384 0.091 16.089 1.00 1.00 C ATOM 503 CD1 PHE A 36 -14.212 1.171 16.897 1.00 1.00 C ATOM 504 CD2 PHE A 36 -15.638 -0.294 15.727 1.00 1.00 C ATOM 505 CE1 PHE A 36 -15.339 1.897 17.363 1.00 1.00 C ATOM 506 CE2 PHE A 36 -16.765 0.432 16.193 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.593 1.512 17.001 1.00 1.00 C ATOM 0 H PHE A 36 -10.416 -0.817 14.720 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.887 0.416 13.724 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.511 -1.617 15.124 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.552 -0.971 16.441 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -13.217 1.477 17.184 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -15.776 -1.152 15.085 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -15.201 2.755 18.005 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -17.760 0.126 15.906 1.00 1.00 H new ATOM 0 HZ PHE A 36 -17.451 2.064 17.355 1.00 1.00 H new ATOM 517 N ASP A 37 -11.782 2.428 14.570 1.00 1.00 N ATOM 518 CA ASP A 37 -11.259 3.676 15.101 1.00 1.00 C ATOM 519 C ASP A 37 -12.290 4.786 14.891 1.00 1.00 C ATOM 520 O ASP A 37 -12.308 5.432 13.844 1.00 1.00 O ATOM 521 CB ASP A 37 -9.972 4.084 14.382 1.00 1.00 C ATOM 522 CG ASP A 37 -9.490 5.506 14.676 1.00 1.00 C ATOM 523 OD1 ASP A 37 -9.921 6.416 13.935 1.00 1.00 O ATOM 524 OD2 ASP A 37 -8.701 5.650 15.635 1.00 1.00 O ATOM 0 H ASP A 37 -12.190 2.499 13.638 1.00 1.00 H new ATOM 0 HA ASP A 37 -11.049 3.530 16.161 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -9.183 3.385 14.657 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -10.126 3.984 13.308 1.00 1.00 H new ATOM 529 N SER A 38 -13.125 4.975 15.903 1.00 1.00 N ATOM 530 CA SER A 38 -14.157 5.997 15.842 1.00 1.00 C ATOM 531 C SER A 38 -13.609 7.326 16.366 1.00 1.00 C ATOM 532 O SER A 38 -14.284 8.027 17.116 1.00 1.00 O ATOM 533 CB SER A 38 -15.392 5.579 16.642 1.00 1.00 C ATOM 534 OG SER A 38 -15.720 4.207 16.442 1.00 1.00 O ATOM 0 H SER A 38 -13.108 4.438 16.770 1.00 1.00 H new ATOM 0 HA SER A 38 -14.456 6.121 14.801 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.214 5.758 17.702 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.239 6.200 16.351 1.00 1.00 H new ATOM 0 HG SER A 38 -14.988 3.644 16.771 1.00 1.00 H new ATOM 540 N GLN A 39 -12.388 7.632 15.949 1.00 1.00 N ATOM 541 CA GLN A 39 -11.743 8.864 16.367 1.00 1.00 C ATOM 542 C GLN A 39 -12.240 10.038 15.520 1.00 1.00 C ATOM 543 O GLN A 39 -12.007 11.196 15.861 1.00 1.00 O ATOM 544 CB GLN A 39 -10.219 8.739 16.289 1.00 1.00 C ATOM 545 CG GLN A 39 -9.670 7.971 17.493 1.00 1.00 C ATOM 546 CD GLN A 39 -8.310 8.525 17.922 1.00 1.00 C ATOM 547 OE1 GLN A 39 -7.262 8.066 17.497 1.00 1.00 O ATOM 548 NE2 GLN A 39 -8.385 9.534 18.784 1.00 1.00 N ATOM 0 H GLN A 39 -11.830 7.048 15.327 1.00 1.00 H new ATOM 0 HA GLN A 39 -12.007 9.054 17.407 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -9.939 8.227 15.368 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -9.770 9.732 16.251 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.373 8.039 18.323 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -9.574 6.915 17.242 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -9.295 9.869 19.099 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -7.532 9.973 19.130 1.00 1.00 H new ATOM 557 N VAL A 40 -12.916 9.696 14.433 1.00 1.00 N ATOM 558 CA VAL A 40 -13.448 10.708 13.535 1.00 1.00 C ATOM 559 C VAL A 40 -14.882 10.337 13.151 1.00 1.00 C ATOM 560 O VAL A 40 -15.106 9.355 12.445 1.00 1.00 O ATOM 561 CB VAL A 40 -12.527 10.869 12.324 1.00 1.00 C ATOM 562 CG1 VAL A 40 -13.259 11.552 11.166 1.00 1.00 C ATOM 563 CG2 VAL A 40 -11.257 11.635 12.698 1.00 1.00 C ATOM 0 H VAL A 40 -13.108 8.734 14.154 1.00 1.00 H new ATOM 0 HA VAL A 40 -13.484 11.679 14.030 1.00 1.00 H new ATOM 0 HB VAL A 40 -12.231 9.873 11.993 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -12.582 11.654 10.318 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -14.119 10.950 10.873 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -13.598 12.539 11.481 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -10.620 11.735 11.819 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -11.525 12.625 13.067 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -10.720 11.091 13.475 1.00 1.00 H new ATOM 573 N PRO A 41 -15.841 11.166 13.644 1.00 1.00 N ATOM 574 CA PRO A 41 -17.247 10.936 13.359 1.00 1.00 C ATOM 575 C PRO A 41 -17.590 11.338 11.924 1.00 1.00 C ATOM 576 O PRO A 41 -18.758 11.349 11.539 1.00 1.00 O ATOM 577 CB PRO A 41 -17.998 11.752 14.400 1.00 1.00 C ATOM 578 CG PRO A 41 -17.001 12.769 14.930 1.00 1.00 C ATOM 579 CD PRO A 41 -15.614 12.340 14.482 1.00 1.00 C ATOM 0 HA PRO A 41 -17.522 9.883 13.423 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -18.863 12.247 13.959 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -18.370 11.115 15.202 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -17.233 13.764 14.551 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -17.051 12.822 16.018 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -15.115 13.133 13.925 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -14.979 12.101 15.335 1.00 1.00 H new ATOM 587 N GLY A 42 -16.549 11.660 11.170 1.00 1.00 N ATOM 588 CA GLY A 42 -16.724 12.063 9.784 1.00 1.00 C ATOM 589 C GLY A 42 -16.072 11.057 8.834 1.00 1.00 C ATOM 590 O GLY A 42 -16.046 11.267 7.622 1.00 1.00 O ATOM 0 H GLY A 42 -15.581 11.650 11.492 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -17.787 12.146 9.557 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -16.287 13.050 9.630 1.00 1.00 H new ATOM 594 N VAL A 43 -15.561 9.983 9.420 1.00 1.00 N ATOM 595 CA VAL A 43 -14.911 8.943 8.641 1.00 1.00 C ATOM 596 C VAL A 43 -15.341 7.573 9.168 1.00 1.00 C ATOM 597 O VAL A 43 -15.969 7.478 10.220 1.00 1.00 O ATOM 598 CB VAL A 43 -13.394 9.144 8.664 1.00 1.00 C ATOM 599 CG1 VAL A 43 -13.028 10.601 8.374 1.00 1.00 C ATOM 600 CG2 VAL A 43 -12.801 8.685 9.997 1.00 1.00 C ATOM 0 H VAL A 43 -15.584 9.811 10.425 1.00 1.00 H new ATOM 0 HA VAL A 43 -15.217 9.000 7.596 1.00 1.00 H new ATOM 0 HB VAL A 43 -12.963 8.528 7.875 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -11.944 10.715 8.397 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -13.402 10.881 7.389 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -13.477 11.246 9.129 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -11.722 8.839 9.987 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -13.242 9.262 10.810 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -13.016 7.627 10.145 1.00 1.00 H new ATOM 610 N PRO A 44 -14.976 6.518 8.390 1.00 1.00 N ATOM 611 CA PRO A 44 -15.318 5.157 8.767 1.00 1.00 C ATOM 612 C PRO A 44 -14.429 4.666 9.911 1.00 1.00 C ATOM 613 O PRO A 44 -13.205 4.640 9.785 1.00 1.00 O ATOM 614 CB PRO A 44 -15.152 4.343 7.495 1.00 1.00 C ATOM 615 CG PRO A 44 -14.281 5.182 6.574 1.00 1.00 C ATOM 616 CD PRO A 44 -14.232 6.593 7.137 1.00 1.00 C ATOM 0 HA PRO A 44 -16.335 5.069 9.150 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.685 3.381 7.705 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -16.118 4.134 7.036 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -13.277 4.761 6.510 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.689 5.188 5.563 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -13.205 6.917 7.305 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -14.684 7.309 6.451 1.00 1.00 H new ATOM 624 N TRP A 45 -15.079 4.288 11.003 1.00 1.00 N ATOM 625 CA TRP A 45 -14.362 3.799 12.169 1.00 1.00 C ATOM 626 C TRP A 45 -13.929 2.359 11.887 1.00 1.00 C ATOM 627 O TRP A 45 -12.807 1.970 12.210 1.00 1.00 O ATOM 628 CB TRP A 45 -15.216 3.931 13.431 1.00 1.00 C ATOM 629 CG TRP A 45 -16.035 5.221 13.498 1.00 1.00 C ATOM 630 CD1 TRP A 45 -15.824 6.368 12.835 1.00 1.00 C ATOM 631 CD2 TRP A 45 -17.211 5.453 14.301 1.00 1.00 C ATOM 632 NE1 TRP A 45 -16.774 7.317 13.151 1.00 1.00 N ATOM 633 CE2 TRP A 45 -17.645 6.744 14.070 1.00 1.00 C ATOM 634 CE3 TRP A 45 -17.887 4.602 15.192 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -18.770 7.296 14.694 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -19.008 5.169 15.807 1.00 1.00 C ATOM 637 CH2 TRP A 45 -19.458 6.466 15.587 1.00 1.00 C ATOM 0 H TRP A 45 -16.094 4.311 11.105 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.472 4.400 12.356 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -15.894 3.079 13.489 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -14.565 3.880 14.304 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -15.012 6.528 12.141 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -16.827 8.265 12.779 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.566 3.589 15.387 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -19.090 8.308 14.497 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -19.563 4.556 16.502 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -20.334 6.831 16.102 1.00 1.00 H new ATOM 648 N CYS A 46 -14.841 1.607 11.289 1.00 1.00 N ATOM 649 CA CYS A 46 -14.567 0.218 10.962 1.00 1.00 C ATOM 650 C CYS A 46 -13.899 0.172 9.586 1.00 1.00 C ATOM 651 O CYS A 46 -14.542 0.435 8.571 1.00 1.00 O ATOM 652 CB CYS A 46 -15.836 -0.635 11.009 1.00 1.00 C ATOM 653 SG CYS A 46 -16.203 -1.375 12.642 1.00 1.00 S ATOM 0 H CYS A 46 -15.770 1.933 11.022 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.894 -0.208 11.706 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.683 -0.019 10.707 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.746 -1.436 10.275 1.00 1.00 H new ATOM 658 N PHE A 47 -12.618 -0.164 9.596 1.00 1.00 N ATOM 659 CA PHE A 47 -11.856 -0.248 8.361 1.00 1.00 C ATOM 660 C PHE A 47 -10.784 -1.336 8.452 1.00 1.00 C ATOM 661 O PHE A 47 -10.932 -2.298 9.202 1.00 1.00 O ATOM 662 CB PHE A 47 -11.176 1.108 8.163 1.00 1.00 C ATOM 663 CG PHE A 47 -10.459 1.633 9.408 1.00 1.00 C ATOM 664 CD1 PHE A 47 -9.579 0.836 10.073 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.701 2.895 9.852 1.00 1.00 C ATOM 666 CE1 PHE A 47 -8.913 1.324 11.229 1.00 1.00 C ATOM 667 CE2 PHE A 47 -10.036 3.383 11.008 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.156 2.587 11.672 1.00 1.00 C ATOM 0 H PHE A 47 -12.088 -0.381 10.440 1.00 1.00 H new ATOM 0 HA PHE A 47 -12.517 -0.496 7.531 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -10.456 1.026 7.349 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -11.925 1.837 7.854 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -9.387 -0.167 9.722 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.400 3.527 9.325 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.214 0.692 11.756 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.229 4.386 11.360 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.650 2.958 12.551 1.00 1.00 H new ATOM 678 N LYS A 48 -9.727 -1.145 7.676 1.00 1.00 N ATOM 679 CA LYS A 48 -8.629 -2.097 7.659 1.00 1.00 C ATOM 680 C LYS A 48 -7.334 -1.384 8.055 1.00 1.00 C ATOM 681 O LYS A 48 -7.208 -0.174 7.877 1.00 1.00 O ATOM 682 CB LYS A 48 -8.553 -2.803 6.304 1.00 1.00 C ATOM 683 CG LYS A 48 -9.162 -1.936 5.200 1.00 1.00 C ATOM 684 CD LYS A 48 -10.675 -1.802 5.379 1.00 1.00 C ATOM 685 CE LYS A 48 -11.424 -2.377 4.175 1.00 1.00 C ATOM 686 NZ LYS A 48 -12.760 -1.753 4.049 1.00 1.00 N ATOM 0 H LYS A 48 -9.608 -0.345 7.054 1.00 1.00 H new ATOM 0 HA LYS A 48 -8.797 -2.884 8.394 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -7.514 -3.027 6.064 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -9.080 -3.756 6.356 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -8.702 -0.948 5.213 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -8.945 -2.375 4.226 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -10.985 -2.321 6.286 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -10.938 -0.752 5.507 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -10.849 -2.205 3.265 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -11.529 -3.456 4.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -12.967 -1.577 3.045 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -13.480 -2.391 4.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -12.773 -0.852 4.569 1.00 1.00 H new ATOM 700 N PRO A 49 -6.380 -2.187 8.597 1.00 1.00 N ATOM 701 CA PRO A 49 -5.099 -1.645 9.019 1.00 1.00 C ATOM 702 C PRO A 49 -4.207 -1.342 7.814 1.00 1.00 C ATOM 703 O PRO A 49 -4.565 -1.656 6.679 1.00 1.00 O ATOM 704 CB PRO A 49 -4.511 -2.701 9.942 1.00 1.00 C ATOM 705 CG PRO A 49 -5.262 -3.987 9.637 1.00 1.00 C ATOM 706 CD PRO A 49 -6.494 -3.624 8.822 1.00 1.00 C ATOM 0 HA PRO A 49 -5.196 -0.691 9.536 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -3.442 -2.822 9.766 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -4.632 -2.417 10.987 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -4.627 -4.678 9.082 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -5.549 -4.490 10.560 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -6.521 -4.171 7.880 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -7.410 -3.869 9.359 1.00 1.00 H new ATOM 714 N LEU A 50 -3.065 -0.735 8.101 1.00 1.00 N ATOM 715 CA LEU A 50 -2.120 -0.385 7.053 1.00 1.00 C ATOM 716 C LEU A 50 -0.779 -1.067 7.335 1.00 1.00 C ATOM 717 O LEU A 50 0.194 -0.407 7.695 1.00 1.00 O ATOM 718 CB LEU A 50 -2.018 1.134 6.910 1.00 1.00 C ATOM 719 CG LEU A 50 -1.172 1.854 7.962 1.00 1.00 C ATOM 720 CD1 LEU A 50 0.149 2.340 7.364 1.00 1.00 C ATOM 721 CD2 LEU A 50 -1.959 2.990 8.615 1.00 1.00 C ATOM 0 H LEU A 50 -2.772 -0.477 9.043 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.469 -0.751 6.087 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -1.606 1.359 5.926 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.025 1.550 6.937 1.00 1.00 H new ATOM 0 HG LEU A 50 -0.926 1.141 8.749 1.00 1.00 H new ATOM 0 HD11 LEU A 50 0.731 2.848 8.133 1.00 1.00 H new ATOM 0 HD12 LEU A 50 0.713 1.487 6.986 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -0.054 3.031 6.546 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.334 3.485 9.359 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.257 3.711 7.854 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.848 2.585 9.099 1.00 1.00 H new ATOM 733 N PRO A 51 -0.772 -2.415 7.154 1.00 1.00 N ATOM 734 CA PRO A 51 0.433 -3.194 7.384 1.00 1.00 C ATOM 735 C PRO A 51 1.437 -3.001 6.245 1.00 1.00 C ATOM 736 O PRO A 51 1.243 -2.149 5.380 1.00 1.00 O ATOM 737 CB PRO A 51 -0.045 -4.630 7.516 1.00 1.00 C ATOM 738 CG PRO A 51 -1.433 -4.666 6.896 1.00 1.00 C ATOM 739 CD PRO A 51 -1.905 -3.231 6.728 1.00 1.00 C ATOM 0 HA PRO A 51 0.969 -2.883 8.280 1.00 1.00 H new ATOM 0 HB2 PRO A 51 0.630 -5.315 7.003 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -0.076 -4.937 8.561 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -1.408 -5.175 5.932 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -2.121 -5.222 7.532 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -2.176 -3.022 5.693 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -2.788 -3.031 7.336 1.00 1.00 H new ATOM 747 N ALA A 52 2.489 -3.806 6.283 1.00 1.00 N ATOM 748 CA ALA A 52 3.522 -3.734 5.265 1.00 1.00 C ATOM 749 C ALA A 52 4.568 -4.820 5.529 1.00 1.00 C ATOM 750 O ALA A 52 4.748 -5.249 6.667 1.00 1.00 O ATOM 751 CB ALA A 52 4.130 -2.330 5.252 1.00 1.00 C ATOM 0 H ALA A 52 2.648 -4.511 7.003 1.00 1.00 H new ATOM 0 HA ALA A 52 3.100 -3.915 4.276 1.00 1.00 H new ATOM 0 HB1 ALA A 52 4.905 -2.276 4.488 1.00 1.00 H new ATOM 0 HB2 ALA A 52 3.352 -1.599 5.032 1.00 1.00 H new ATOM 0 HB3 ALA A 52 4.566 -2.113 6.227 1.00 1.00 H new ATOM 757 N GLN A 53 5.230 -5.232 4.458 1.00 1.00 N ATOM 758 CA GLN A 53 6.253 -6.259 4.559 1.00 1.00 C ATOM 759 C GLN A 53 5.689 -7.503 5.249 1.00 1.00 C ATOM 760 O GLN A 53 4.560 -7.489 5.737 1.00 1.00 O ATOM 761 CB GLN A 53 7.486 -5.733 5.297 1.00 1.00 C ATOM 762 CG GLN A 53 8.279 -4.763 4.419 1.00 1.00 C ATOM 763 CD GLN A 53 9.562 -5.417 3.901 1.00 1.00 C ATOM 764 OE1 GLN A 53 10.663 -4.937 4.114 1.00 1.00 O ATOM 765 NE2 GLN A 53 9.359 -6.534 3.209 1.00 1.00 N ATOM 0 H GLN A 53 5.078 -4.873 3.515 1.00 1.00 H new ATOM 0 HA GLN A 53 6.564 -6.536 3.552 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.178 -5.230 6.214 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.123 -6.568 5.589 1.00 1.00 H new ATOM 0 HG2 GLN A 53 7.664 -4.443 3.578 1.00 1.00 H new ATOM 0 HG3 GLN A 53 8.527 -3.869 4.991 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.410 -6.881 3.068 1.00 1.00 H new ATOM 0 HE22 GLN A 53 10.152 -7.044 2.819 1.00 1.00 H new ATOM 774 N GLU A 54 6.503 -8.549 5.268 1.00 1.00 N ATOM 775 CA GLU A 54 6.099 -9.798 5.890 1.00 1.00 C ATOM 776 C GLU A 54 5.905 -9.604 7.396 1.00 1.00 C ATOM 777 O GLU A 54 5.386 -10.486 8.077 1.00 1.00 O ATOM 778 CB GLU A 54 7.117 -10.905 5.608 1.00 1.00 C ATOM 779 CG GLU A 54 6.615 -11.844 4.510 1.00 1.00 C ATOM 780 CD GLU A 54 7.772 -12.340 3.641 1.00 1.00 C ATOM 781 OE1 GLU A 54 8.483 -11.470 3.092 1.00 1.00 O ATOM 782 OE2 GLU A 54 7.922 -13.577 3.545 1.00 1.00 O ATOM 0 H GLU A 54 7.439 -8.557 4.863 1.00 1.00 H new ATOM 0 HA GLU A 54 5.147 -10.105 5.457 1.00 1.00 H new ATOM 0 HB2 GLU A 54 8.067 -10.463 5.307 1.00 1.00 H new ATOM 0 HB3 GLU A 54 7.304 -11.473 6.519 1.00 1.00 H new ATOM 0 HG2 GLU A 54 6.103 -12.695 4.960 1.00 1.00 H new ATOM 0 HG3 GLU A 54 5.885 -11.325 3.888 1.00 1.00 H new ATOM 789 N SER A 55 6.331 -8.442 7.870 1.00 1.00 N ATOM 790 CA SER A 55 6.209 -8.120 9.281 1.00 1.00 C ATOM 791 C SER A 55 4.847 -7.478 9.557 1.00 1.00 C ATOM 792 O SER A 55 4.081 -7.220 8.631 1.00 1.00 O ATOM 793 CB SER A 55 7.336 -7.187 9.731 1.00 1.00 C ATOM 794 OG SER A 55 8.141 -7.777 10.749 1.00 1.00 O ATOM 0 H SER A 55 6.761 -7.712 7.302 1.00 1.00 H new ATOM 0 HA SER A 55 6.289 -9.046 9.851 1.00 1.00 H new ATOM 0 HB2 SER A 55 7.961 -6.934 8.875 1.00 1.00 H new ATOM 0 HB3 SER A 55 6.909 -6.255 10.101 1.00 1.00 H new ATOM 0 HG SER A 55 8.850 -7.152 11.009 1.00 1.00 H new ATOM 800 N GLU A 56 4.589 -7.242 10.835 1.00 1.00 N ATOM 801 CA GLU A 56 3.333 -6.635 11.243 1.00 1.00 C ATOM 802 C GLU A 56 3.596 -5.377 12.073 1.00 1.00 C ATOM 803 O GLU A 56 2.666 -4.648 12.414 1.00 1.00 O ATOM 804 CB GLU A 56 2.470 -7.633 12.018 1.00 1.00 C ATOM 805 CG GLU A 56 1.023 -7.144 12.119 1.00 1.00 C ATOM 806 CD GLU A 56 0.337 -7.178 10.753 1.00 1.00 C ATOM 807 OE1 GLU A 56 0.822 -7.943 9.892 1.00 1.00 O ATOM 808 OE2 GLU A 56 -0.658 -6.437 10.600 1.00 1.00 O ATOM 0 H GLU A 56 5.227 -7.460 11.600 1.00 1.00 H new ATOM 0 HA GLU A 56 2.783 -6.346 10.347 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.496 -8.603 11.522 1.00 1.00 H new ATOM 0 HB3 GLU A 56 2.880 -7.775 13.018 1.00 1.00 H new ATOM 0 HG2 GLU A 56 0.472 -7.769 12.822 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.005 -6.128 12.514 1.00 1.00 H new ATOM 815 N GLU A 57 4.868 -5.162 12.376 1.00 1.00 N ATOM 816 CA GLU A 57 5.265 -4.005 13.159 1.00 1.00 C ATOM 817 C GLU A 57 5.976 -2.981 12.272 1.00 1.00 C ATOM 818 O GLU A 57 6.583 -2.035 12.773 1.00 1.00 O ATOM 819 CB GLU A 57 6.150 -4.418 14.337 1.00 1.00 C ATOM 820 CG GLU A 57 5.366 -4.380 15.651 1.00 1.00 C ATOM 821 CD GLU A 57 6.258 -4.772 16.832 1.00 1.00 C ATOM 822 OE1 GLU A 57 7.383 -4.231 16.898 1.00 1.00 O ATOM 823 OE2 GLU A 57 5.793 -5.603 17.642 1.00 1.00 O ATOM 0 H GLU A 57 5.637 -5.770 12.093 1.00 1.00 H new ATOM 0 HA GLU A 57 4.367 -3.541 13.566 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.539 -5.423 14.170 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.009 -3.751 14.403 1.00 1.00 H new ATOM 0 HG2 GLU A 57 4.964 -3.379 15.810 1.00 1.00 H new ATOM 0 HG3 GLU A 57 4.516 -5.059 15.591 1.00 1.00 H new ATOM 830 N CYS A 58 5.878 -3.204 10.970 1.00 1.00 N ATOM 831 CA CYS A 58 6.504 -2.313 10.008 1.00 1.00 C ATOM 832 C CYS A 58 5.524 -1.181 9.694 1.00 1.00 C ATOM 833 O CYS A 58 5.753 -0.395 8.776 1.00 1.00 O ATOM 834 CB CYS A 58 6.938 -3.060 8.745 1.00 1.00 C ATOM 835 SG CYS A 58 8.255 -4.303 9.003 1.00 1.00 S ATOM 0 H CYS A 58 5.374 -3.989 10.558 1.00 1.00 H new ATOM 0 HA CYS A 58 7.416 -1.895 10.435 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.068 -3.557 8.317 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.283 -2.333 8.010 1.00 1.00 H new ATOM 840 N VAL A 59 4.455 -1.133 10.475 1.00 1.00 N ATOM 841 CA VAL A 59 3.440 -0.110 10.291 1.00 1.00 C ATOM 842 C VAL A 59 3.946 1.213 10.868 1.00 1.00 C ATOM 843 O VAL A 59 4.349 1.276 12.028 1.00 1.00 O ATOM 844 CB VAL A 59 2.118 -0.566 10.913 1.00 1.00 C ATOM 845 CG1 VAL A 59 0.928 0.100 10.220 1.00 1.00 C ATOM 846 CG2 VAL A 59 1.993 -2.091 10.875 1.00 1.00 C ATOM 0 H VAL A 59 4.270 -1.786 11.236 1.00 1.00 H new ATOM 0 HA VAL A 59 3.247 0.050 9.230 1.00 1.00 H new ATOM 0 HB VAL A 59 2.113 -0.255 11.958 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.001 -0.241 10.681 1.00 1.00 H new ATOM 0 HG12 VAL A 59 1.007 1.182 10.322 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.927 -0.166 9.163 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.045 -2.390 11.323 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.030 -2.433 9.841 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.815 -2.538 11.434 1.00 1.00 H new ATOM 856 N MET A 60 3.909 2.239 10.030 1.00 1.00 N ATOM 857 CA MET A 60 4.359 3.559 10.443 1.00 1.00 C ATOM 858 C MET A 60 4.012 4.611 9.387 1.00 1.00 C ATOM 859 O MET A 60 4.466 4.525 8.247 1.00 1.00 O ATOM 860 CB MET A 60 5.872 3.536 10.662 1.00 1.00 C ATOM 861 CG MET A 60 6.209 3.325 12.140 1.00 1.00 C ATOM 862 SD MET A 60 7.662 2.301 12.296 1.00 1.00 S ATOM 863 CE MET A 60 7.390 1.169 10.942 1.00 1.00 C ATOM 0 H MET A 60 3.575 2.184 9.068 1.00 1.00 H new ATOM 0 HA MET A 60 3.852 3.822 11.371 1.00 1.00 H new ATOM 0 HB2 MET A 60 6.317 2.739 10.066 1.00 1.00 H new ATOM 0 HB3 MET A 60 6.307 4.474 10.316 1.00 1.00 H new ATOM 0 HG2 MET A 60 6.379 4.287 12.623 1.00 1.00 H new ATOM 0 HG3 MET A 60 5.367 2.856 12.650 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.074 0.325 11.030 1.00 1.00 H new ATOM 0 HE2 MET A 60 6.362 0.808 10.971 1.00 1.00 H new ATOM 0 HE3 MET A 60 7.568 1.683 9.997 1.00 1.00 H new ATOM 873 N GLN A 61 3.209 5.579 9.805 1.00 1.00 N ATOM 874 CA GLN A 61 2.795 6.646 8.910 1.00 1.00 C ATOM 875 C GLN A 61 4.004 7.485 8.491 1.00 1.00 C ATOM 876 O GLN A 61 5.043 7.455 9.148 1.00 1.00 O ATOM 877 CB GLN A 61 1.719 7.520 9.558 1.00 1.00 C ATOM 878 CG GLN A 61 0.791 6.681 10.440 1.00 1.00 C ATOM 879 CD GLN A 61 1.171 6.810 11.916 1.00 1.00 C ATOM 880 OE1 GLN A 61 1.412 5.648 12.516 1.00 1.00 O flip ATOM 881 NE2 GLN A 61 1.242 7.893 12.474 1.00 1.00 N flip ATOM 0 H GLN A 61 2.834 5.646 10.751 1.00 1.00 H new ATOM 0 HA GLN A 61 2.361 6.197 8.017 1.00 1.00 H new ATOM 0 HB2 GLN A 61 2.190 8.299 10.157 1.00 1.00 H new ATOM 0 HB3 GLN A 61 1.137 8.021 8.784 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.241 7.003 10.297 1.00 1.00 H new ATOM 0 HG3 GLN A 61 0.844 5.635 10.138 1.00 1.00 H new ATOM 0 HE21 GLN A 61 1.044 8.748 11.955 1.00 1.00 H new ATOM 0 HE22 GLN A 61 1.499 7.943 13.460 1.00 1.00 H new ATOM 890 N VAL A 62 3.827 8.216 7.400 1.00 1.00 N ATOM 891 CA VAL A 62 4.890 9.062 6.886 1.00 1.00 C ATOM 892 C VAL A 62 5.313 10.057 7.968 1.00 1.00 C ATOM 893 O VAL A 62 4.907 11.218 7.943 1.00 1.00 O ATOM 894 CB VAL A 62 4.439 9.743 5.592 1.00 1.00 C ATOM 895 CG1 VAL A 62 4.061 8.708 4.532 1.00 1.00 C ATOM 896 CG2 VAL A 62 3.280 10.706 5.856 1.00 1.00 C ATOM 0 H VAL A 62 2.963 8.240 6.858 1.00 1.00 H new ATOM 0 HA VAL A 62 5.765 8.463 6.634 1.00 1.00 H new ATOM 0 HB VAL A 62 5.277 10.324 5.208 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.744 9.218 3.622 1.00 1.00 H new ATOM 0 HG12 VAL A 62 4.924 8.079 4.314 1.00 1.00 H new ATOM 0 HG13 VAL A 62 3.245 8.088 4.903 1.00 1.00 H new ATOM 0 HG21 VAL A 62 2.978 11.177 4.921 1.00 1.00 H new ATOM 0 HG22 VAL A 62 2.437 10.155 6.273 1.00 1.00 H new ATOM 0 HG23 VAL A 62 3.598 11.473 6.562 1.00 1.00 H new ATOM 906 N SER A 63 6.124 9.566 8.894 1.00 1.00 N ATOM 907 CA SER A 63 6.607 10.398 9.984 1.00 1.00 C ATOM 908 C SER A 63 7.034 9.521 11.162 1.00 1.00 C ATOM 909 O SER A 63 7.872 9.922 11.969 1.00 1.00 O ATOM 910 CB SER A 63 5.537 11.398 10.428 1.00 1.00 C ATOM 911 OG SER A 63 5.644 12.638 9.732 1.00 1.00 O ATOM 0 H SER A 63 6.459 8.603 8.912 1.00 1.00 H new ATOM 0 HA SER A 63 7.469 10.962 9.628 1.00 1.00 H new ATOM 0 HB2 SER A 63 4.549 10.971 10.258 1.00 1.00 H new ATOM 0 HB3 SER A 63 5.628 11.575 11.500 1.00 1.00 H new ATOM 0 HG SER A 63 5.504 12.488 8.774 1.00 1.00 H new ATOM 917 N ALA A 64 6.438 8.339 11.225 1.00 1.00 N ATOM 918 CA ALA A 64 6.748 7.401 12.291 1.00 1.00 C ATOM 919 C ALA A 64 8.017 6.627 11.933 1.00 1.00 C ATOM 920 O ALA A 64 8.732 6.155 12.816 1.00 1.00 O ATOM 921 CB ALA A 64 5.549 6.479 12.524 1.00 1.00 C ATOM 0 H ALA A 64 5.742 8.010 10.556 1.00 1.00 H new ATOM 0 HA ALA A 64 6.939 7.931 13.224 1.00 1.00 H new ATOM 0 HB1 ALA A 64 5.781 5.775 13.323 1.00 1.00 H new ATOM 0 HB2 ALA A 64 4.681 7.075 12.806 1.00 1.00 H new ATOM 0 HB3 ALA A 64 5.330 5.929 11.609 1.00 1.00 H new ATOM 927 N ARG A 65 8.260 6.520 10.634 1.00 1.00 N ATOM 928 CA ARG A 65 9.432 5.811 10.148 1.00 1.00 C ATOM 929 C ARG A 65 10.704 6.583 10.504 1.00 1.00 C ATOM 930 O ARG A 65 10.958 7.655 9.956 1.00 1.00 O ATOM 931 CB ARG A 65 9.367 5.618 8.631 1.00 1.00 C ATOM 932 CG ARG A 65 8.097 4.868 8.228 1.00 1.00 C ATOM 933 CD ARG A 65 8.066 4.614 6.718 1.00 1.00 C ATOM 934 NE ARG A 65 6.700 4.841 6.195 1.00 1.00 N ATOM 935 CZ ARG A 65 6.236 4.316 5.053 1.00 1.00 C ATOM 936 NH1 ARG A 65 7.025 3.531 4.308 1.00 1.00 N ATOM 937 NH2 ARG A 65 4.983 4.577 4.657 1.00 1.00 N ATOM 0 H ARG A 65 7.665 6.912 9.904 1.00 1.00 H new ATOM 0 HA ARG A 65 9.452 4.832 10.627 1.00 1.00 H new ATOM 0 HB2 ARG A 65 9.393 6.589 8.136 1.00 1.00 H new ATOM 0 HB3 ARG A 65 10.243 5.064 8.293 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.046 3.919 8.761 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.220 5.446 8.521 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.772 5.275 6.215 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.380 3.592 6.506 1.00 1.00 H new ATOM 0 HE ARG A 65 6.073 5.434 6.738 1.00 1.00 H new ATOM 0 HH11 ARG A 65 7.979 3.333 4.610 1.00 1.00 H new ATOM 0 HH12 ARG A 65 6.672 3.131 3.439 1.00 1.00 H new ATOM 0 HH21 ARG A 65 4.383 5.175 5.225 1.00 1.00 H new ATOM 0 HH22 ARG A 65 4.629 4.178 3.788 1.00 1.00 H new ATOM 951 N LYS A 66 11.470 6.007 11.417 1.00 1.00 N ATOM 952 CA LYS A 66 12.711 6.626 11.853 1.00 1.00 C ATOM 953 C LYS A 66 13.841 6.213 10.909 1.00 1.00 C ATOM 954 O LYS A 66 15.017 6.327 11.254 1.00 1.00 O ATOM 955 CB LYS A 66 12.986 6.301 13.322 1.00 1.00 C ATOM 956 CG LYS A 66 12.719 4.823 13.615 1.00 1.00 C ATOM 957 CD LYS A 66 13.383 4.395 14.926 1.00 1.00 C ATOM 958 CE LYS A 66 14.908 4.439 14.807 1.00 1.00 C ATOM 959 NZ LYS A 66 15.500 5.119 15.979 1.00 1.00 N ATOM 0 H LYS A 66 11.256 5.117 11.868 1.00 1.00 H new ATOM 0 HA LYS A 66 12.633 7.712 11.801 1.00 1.00 H new ATOM 0 HB2 LYS A 66 14.021 6.542 13.564 1.00 1.00 H new ATOM 0 HB3 LYS A 66 12.356 6.922 13.960 1.00 1.00 H new ATOM 0 HG2 LYS A 66 11.645 4.648 13.673 1.00 1.00 H new ATOM 0 HG3 LYS A 66 13.097 4.212 12.795 1.00 1.00 H new ATOM 0 HD2 LYS A 66 13.058 5.051 15.734 1.00 1.00 H new ATOM 0 HD3 LYS A 66 13.064 3.386 15.187 1.00 1.00 H new ATOM 0 HE2 LYS A 66 15.302 3.426 14.730 1.00 1.00 H new ATOM 0 HE3 LYS A 66 15.192 4.962 13.894 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 16.535 5.140 15.882 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 15.138 6.092 16.035 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 15.244 4.604 16.845 1.00 1.00 H new ATOM 973 N ASN A 67 13.446 5.740 9.735 1.00 1.00 N ATOM 974 CA ASN A 67 14.412 5.308 8.739 1.00 1.00 C ATOM 975 C ASN A 67 15.298 4.213 9.336 1.00 1.00 C ATOM 976 O ASN A 67 15.455 4.131 10.553 1.00 1.00 O ATOM 977 CB ASN A 67 15.316 6.467 8.310 1.00 1.00 C ATOM 978 CG ASN A 67 16.016 6.153 6.987 1.00 1.00 C ATOM 979 OD1 ASN A 67 15.406 5.743 6.013 1.00 1.00 O ATOM 980 ND2 ASN A 67 17.329 6.368 7.006 1.00 1.00 N ATOM 0 H ASN A 67 12.471 5.647 9.452 1.00 1.00 H new ATOM 0 HA ASN A 67 13.862 4.939 7.873 1.00 1.00 H new ATOM 0 HB2 ASN A 67 14.724 7.376 8.206 1.00 1.00 H new ATOM 0 HB3 ASN A 67 16.060 6.658 9.083 1.00 1.00 H new ATOM 0 HD21 ASN A 67 17.887 6.189 6.171 1.00 1.00 H new ATOM 0 HD22 ASN A 67 17.777 6.712 7.855 1.00 1.00 H new ATOM 987 N CYS A 68 15.855 3.399 8.451 1.00 1.00 N ATOM 988 CA CYS A 68 16.721 2.312 8.874 1.00 1.00 C ATOM 989 C CYS A 68 17.588 1.896 7.683 1.00 1.00 C ATOM 990 O CYS A 68 17.272 2.220 6.539 1.00 1.00 O ATOM 991 CB CYS A 68 15.920 1.136 9.435 1.00 1.00 C ATOM 992 SG CYS A 68 16.922 -0.322 9.901 1.00 1.00 S ATOM 0 H CYS A 68 15.723 3.471 7.442 1.00 1.00 H new ATOM 0 HA CYS A 68 17.362 2.651 9.688 1.00 1.00 H new ATOM 0 HB2 CYS A 68 15.369 1.476 10.312 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.182 0.830 8.693 1.00 1.00 H new ATOM 997 N GLY A 69 18.661 1.185 7.994 1.00 1.00 N ATOM 998 CA GLY A 69 19.575 0.722 6.963 1.00 1.00 C ATOM 999 C GLY A 69 20.341 1.892 6.343 1.00 1.00 C ATOM 1000 O GLY A 69 20.601 2.891 7.010 1.00 1.00 O ATOM 0 H GLY A 69 18.918 0.918 8.944 1.00 1.00 H new ATOM 0 HA2 GLY A 69 20.279 0.008 7.390 1.00 1.00 H new ATOM 0 HA3 GLY A 69 19.018 0.196 6.188 1.00 1.00 H new ATOM 1004 N TYR A 70 20.678 1.729 5.072 1.00 1.00 N ATOM 1005 CA TYR A 70 21.409 2.759 4.353 1.00 1.00 C ATOM 1006 C TYR A 70 20.647 3.200 3.101 1.00 1.00 C ATOM 1007 O TYR A 70 19.743 2.502 2.643 1.00 1.00 O ATOM 1008 CB TYR A 70 22.733 2.121 3.932 1.00 1.00 C ATOM 1009 CG TYR A 70 22.575 0.801 3.175 1.00 1.00 C ATOM 1010 CD1 TYR A 70 22.472 -0.386 3.873 1.00 1.00 C ATOM 1011 CD2 TYR A 70 22.536 0.796 1.796 1.00 1.00 C ATOM 1012 CE1 TYR A 70 22.323 -1.629 3.161 1.00 1.00 C ATOM 1013 CE2 TYR A 70 22.388 -0.447 1.084 1.00 1.00 C ATOM 1014 CZ TYR A 70 22.288 -1.598 1.802 1.00 1.00 C ATOM 1015 OH TYR A 70 22.147 -2.772 1.129 1.00 1.00 O ATOM 0 H TYR A 70 20.458 0.899 4.521 1.00 1.00 H new ATOM 0 HA TYR A 70 21.550 3.638 4.981 1.00 1.00 H new ATOM 0 HB2 TYR A 70 23.280 2.825 3.304 1.00 1.00 H new ATOM 0 HB3 TYR A 70 23.340 1.948 4.821 1.00 1.00 H new ATOM 0 HD1 TYR A 70 22.503 -0.382 4.953 1.00 1.00 H new ATOM 0 HD2 TYR A 70 22.616 1.724 1.250 1.00 1.00 H new ATOM 0 HE1 TYR A 70 22.241 -2.565 3.694 1.00 1.00 H new ATOM 0 HE2 TYR A 70 22.357 -0.465 0.005 1.00 1.00 H new ATOM 0 HH TYR A 70 22.832 -2.833 0.431 1.00 1.00 H new ATOM 1025 N PRO A 71 21.052 4.384 2.569 1.00 1.00 N ATOM 1026 CA PRO A 71 20.417 4.925 1.380 1.00 1.00 C ATOM 1027 C PRO A 71 20.866 4.169 0.127 1.00 1.00 C ATOM 1028 O PRO A 71 21.734 4.639 -0.608 1.00 1.00 O ATOM 1029 CB PRO A 71 20.807 6.394 1.359 1.00 1.00 C ATOM 1030 CG PRO A 71 22.016 6.517 2.273 1.00 1.00 C ATOM 1031 CD PRO A 71 22.118 5.237 3.085 1.00 1.00 C ATOM 0 HA PRO A 71 19.333 4.815 1.395 1.00 1.00 H new ATOM 0 HB2 PRO A 71 21.048 6.720 0.347 1.00 1.00 H new ATOM 0 HB3 PRO A 71 19.987 7.021 1.709 1.00 1.00 H new ATOM 0 HG2 PRO A 71 22.923 6.671 1.688 1.00 1.00 H new ATOM 0 HG3 PRO A 71 21.911 7.379 2.931 1.00 1.00 H new ATOM 0 HD2 PRO A 71 23.094 4.768 2.963 1.00 1.00 H new ATOM 0 HD3 PRO A 71 21.989 5.432 4.150 1.00 1.00 H new ATOM 1039 N GLY A 72 20.256 3.012 -0.078 1.00 1.00 N ATOM 1040 CA GLY A 72 20.582 2.187 -1.229 1.00 1.00 C ATOM 1041 C GLY A 72 20.036 0.769 -1.060 1.00 1.00 C ATOM 1042 O GLY A 72 19.733 0.095 -2.044 1.00 1.00 O ATOM 0 H GLY A 72 19.537 2.625 0.534 1.00 1.00 H new ATOM 0 HA2 GLY A 72 20.166 2.635 -2.131 1.00 1.00 H new ATOM 0 HA3 GLY A 72 21.663 2.151 -1.360 1.00 1.00 H new ATOM 1046 N ILE A 73 19.926 0.357 0.195 1.00 1.00 N ATOM 1047 CA ILE A 73 19.421 -0.970 0.506 1.00 1.00 C ATOM 1048 C ILE A 73 18.183 -1.252 -0.348 1.00 1.00 C ATOM 1049 O ILE A 73 17.567 -0.330 -0.881 1.00 1.00 O ATOM 1050 CB ILE A 73 19.175 -1.110 2.010 1.00 1.00 C ATOM 1051 CG1 ILE A 73 19.220 -2.578 2.437 1.00 1.00 C ATOM 1052 CG2 ILE A 73 17.863 -0.435 2.417 1.00 1.00 C ATOM 1053 CD1 ILE A 73 19.092 -2.712 3.956 1.00 1.00 C ATOM 0 H ILE A 73 20.178 0.919 1.008 1.00 1.00 H new ATOM 0 HA ILE A 73 20.162 -1.729 0.255 1.00 1.00 H new ATOM 0 HB ILE A 73 19.978 -0.595 2.537 1.00 1.00 H new ATOM 0 HG12 ILE A 73 18.413 -3.127 1.951 1.00 1.00 H new ATOM 0 HG13 ILE A 73 20.156 -3.028 2.106 1.00 1.00 H new ATOM 0 HG21 ILE A 73 17.713 -0.549 3.491 1.00 1.00 H new ATOM 0 HG22 ILE A 73 17.907 0.625 2.168 1.00 1.00 H new ATOM 0 HG23 ILE A 73 17.034 -0.899 1.883 1.00 1.00 H new ATOM 0 HD11 ILE A 73 19.127 -3.766 4.233 1.00 1.00 H new ATOM 0 HD12 ILE A 73 19.914 -2.183 4.438 1.00 1.00 H new ATOM 0 HD13 ILE A 73 18.144 -2.283 4.280 1.00 1.00 H new ATOM 1065 N SER A 74 17.856 -2.533 -0.453 1.00 1.00 N ATOM 1066 CA SER A 74 16.703 -2.949 -1.234 1.00 1.00 C ATOM 1067 C SER A 74 15.632 -3.537 -0.313 1.00 1.00 C ATOM 1068 O SER A 74 15.797 -3.553 0.906 1.00 1.00 O ATOM 1069 CB SER A 74 17.101 -3.968 -2.303 1.00 1.00 C ATOM 1070 OG SER A 74 16.649 -3.586 -3.600 1.00 1.00 O ATOM 0 H SER A 74 18.369 -3.295 -0.010 1.00 1.00 H new ATOM 0 HA SER A 74 16.298 -2.072 -1.739 1.00 1.00 H new ATOM 0 HB2 SER A 74 18.186 -4.076 -2.314 1.00 1.00 H new ATOM 0 HB3 SER A 74 16.686 -4.943 -2.047 1.00 1.00 H new ATOM 0 HG SER A 74 16.924 -4.261 -4.254 1.00 1.00 H new ATOM 1076 N PRO A 75 14.529 -4.016 -0.948 1.00 1.00 N ATOM 1077 CA PRO A 75 13.431 -4.603 -0.198 1.00 1.00 C ATOM 1078 C PRO A 75 13.795 -6.003 0.302 1.00 1.00 C ATOM 1079 O PRO A 75 14.046 -6.195 1.490 1.00 1.00 O ATOM 1080 CB PRO A 75 12.255 -4.604 -1.161 1.00 1.00 C ATOM 1081 CG PRO A 75 12.852 -4.450 -2.550 1.00 1.00 C ATOM 1082 CD PRO A 75 14.299 -4.014 -2.389 1.00 1.00 C ATOM 0 HA PRO A 75 13.190 -4.042 0.705 1.00 1.00 H new ATOM 0 HB2 PRO A 75 11.686 -5.530 -1.081 1.00 1.00 H new ATOM 0 HB3 PRO A 75 11.568 -3.788 -0.939 1.00 1.00 H new ATOM 0 HG2 PRO A 75 12.795 -5.391 -3.096 1.00 1.00 H new ATOM 0 HG3 PRO A 75 12.293 -3.713 -3.126 1.00 1.00 H new ATOM 0 HD2 PRO A 75 14.978 -4.698 -2.899 1.00 1.00 H new ATOM 0 HD3 PRO A 75 14.464 -3.024 -2.815 1.00 1.00 H new ATOM 1090 N GLU A 76 13.812 -6.944 -0.630 1.00 1.00 N ATOM 1091 CA GLU A 76 14.141 -8.320 -0.299 1.00 1.00 C ATOM 1092 C GLU A 76 15.401 -8.371 0.566 1.00 1.00 C ATOM 1093 O GLU A 76 15.632 -9.348 1.278 1.00 1.00 O ATOM 1094 CB GLU A 76 14.310 -9.163 -1.564 1.00 1.00 C ATOM 1095 CG GLU A 76 12.968 -9.373 -2.268 1.00 1.00 C ATOM 1096 CD GLU A 76 13.132 -9.316 -3.788 1.00 1.00 C ATOM 1097 OE1 GLU A 76 13.701 -8.309 -4.261 1.00 1.00 O ATOM 1098 OE2 GLU A 76 12.683 -10.282 -4.443 1.00 1.00 O ATOM 0 H GLU A 76 13.603 -6.781 -1.615 1.00 1.00 H new ATOM 0 HA GLU A 76 13.315 -8.743 0.272 1.00 1.00 H new ATOM 0 HB2 GLU A 76 15.007 -8.671 -2.242 1.00 1.00 H new ATOM 0 HB3 GLU A 76 14.744 -10.129 -1.306 1.00 1.00 H new ATOM 0 HG2 GLU A 76 12.549 -10.337 -1.980 1.00 1.00 H new ATOM 0 HG3 GLU A 76 12.261 -8.609 -1.946 1.00 1.00 H new ATOM 1105 N ASP A 77 16.185 -7.305 0.478 1.00 1.00 N ATOM 1106 CA ASP A 77 17.416 -7.217 1.244 1.00 1.00 C ATOM 1107 C ASP A 77 17.131 -6.531 2.582 1.00 1.00 C ATOM 1108 O ASP A 77 17.731 -6.873 3.600 1.00 1.00 O ATOM 1109 CB ASP A 77 18.468 -6.388 0.503 1.00 1.00 C ATOM 1110 CG ASP A 77 18.816 -6.891 -0.899 1.00 1.00 C ATOM 1111 OD1 ASP A 77 17.922 -6.816 -1.768 1.00 1.00 O ATOM 1112 OD2 ASP A 77 19.971 -7.340 -1.069 1.00 1.00 O ATOM 0 H ASP A 77 15.991 -6.496 -0.112 1.00 1.00 H new ATOM 0 HA ASP A 77 17.793 -8.229 1.393 1.00 1.00 H new ATOM 0 HB2 ASP A 77 18.112 -5.361 0.426 1.00 1.00 H new ATOM 0 HB3 ASP A 77 19.379 -6.366 1.101 1.00 1.00 H new ATOM 1117 N CYS A 78 16.214 -5.575 2.537 1.00 1.00 N ATOM 1118 CA CYS A 78 15.842 -4.839 3.733 1.00 1.00 C ATOM 1119 C CYS A 78 15.576 -5.845 4.854 1.00 1.00 C ATOM 1120 O CYS A 78 16.220 -5.797 5.901 1.00 1.00 O ATOM 1121 CB CYS A 78 14.636 -3.930 3.485 1.00 1.00 C ATOM 1122 SG CYS A 78 14.530 -2.476 4.592 1.00 1.00 S ATOM 0 H CYS A 78 15.718 -5.294 1.691 1.00 1.00 H new ATOM 0 HA CYS A 78 16.659 -4.179 4.025 1.00 1.00 H new ATOM 0 HB2 CYS A 78 14.668 -3.581 2.453 1.00 1.00 H new ATOM 0 HB3 CYS A 78 13.726 -4.520 3.595 1.00 1.00 H new ATOM 1127 N ALA A 79 14.628 -6.734 4.596 1.00 1.00 N ATOM 1128 CA ALA A 79 14.270 -7.749 5.571 1.00 1.00 C ATOM 1129 C ALA A 79 15.455 -8.695 5.774 1.00 1.00 C ATOM 1130 O ALA A 79 15.782 -9.053 6.905 1.00 1.00 O ATOM 1131 CB ALA A 79 13.011 -8.484 5.104 1.00 1.00 C ATOM 0 H ALA A 79 14.097 -6.772 3.726 1.00 1.00 H new ATOM 0 HA ALA A 79 14.043 -7.293 6.535 1.00 1.00 H new ATOM 0 HB1 ALA A 79 12.742 -9.246 5.836 1.00 1.00 H new ATOM 0 HB2 ALA A 79 12.191 -7.773 5.002 1.00 1.00 H new ATOM 0 HB3 ALA A 79 13.202 -8.957 4.141 1.00 1.00 H new ATOM 1137 N ALA A 80 16.066 -9.074 4.662 1.00 1.00 N ATOM 1138 CA ALA A 80 17.208 -9.971 4.704 1.00 1.00 C ATOM 1139 C ALA A 80 18.341 -9.312 5.495 1.00 1.00 C ATOM 1140 O ALA A 80 19.278 -9.986 5.921 1.00 1.00 O ATOM 1141 CB ALA A 80 17.628 -10.331 3.277 1.00 1.00 C ATOM 0 H ALA A 80 15.792 -8.776 3.726 1.00 1.00 H new ATOM 0 HA ALA A 80 16.947 -10.899 5.212 1.00 1.00 H new ATOM 0 HB1 ALA A 80 18.485 -11.004 3.309 1.00 1.00 H new ATOM 0 HB2 ALA A 80 16.799 -10.822 2.767 1.00 1.00 H new ATOM 0 HB3 ALA A 80 17.899 -9.423 2.738 1.00 1.00 H new ATOM 1147 N ARG A 81 18.216 -8.005 5.667 1.00 1.00 N ATOM 1148 CA ARG A 81 19.216 -7.248 6.400 1.00 1.00 C ATOM 1149 C ARG A 81 18.763 -7.027 7.845 1.00 1.00 C ATOM 1150 O ARG A 81 19.384 -7.530 8.779 1.00 1.00 O ATOM 1151 CB ARG A 81 19.474 -5.892 5.741 1.00 1.00 C ATOM 1152 CG ARG A 81 20.648 -5.971 4.763 1.00 1.00 C ATOM 1153 CD ARG A 81 20.155 -6.029 3.316 1.00 1.00 C ATOM 1154 NE ARG A 81 21.230 -5.595 2.396 1.00 1.00 N ATOM 1155 CZ ARG A 81 22.345 -6.299 2.159 1.00 1.00 C ATOM 1156 NH1 ARG A 81 22.538 -7.475 2.772 1.00 1.00 N ATOM 1157 NH2 ARG A 81 23.268 -5.827 1.309 1.00 1.00 N ATOM 0 H ARG A 81 17.437 -7.451 5.311 1.00 1.00 H new ATOM 0 HA ARG A 81 20.140 -7.826 6.390 1.00 1.00 H new ATOM 0 HB2 ARG A 81 18.578 -5.564 5.213 1.00 1.00 H new ATOM 0 HB3 ARG A 81 19.684 -5.146 6.507 1.00 1.00 H new ATOM 0 HG2 ARG A 81 21.295 -5.104 4.896 1.00 1.00 H new ATOM 0 HG3 ARG A 81 21.249 -6.854 4.982 1.00 1.00 H new ATOM 0 HD2 ARG A 81 19.843 -7.044 3.070 1.00 1.00 H new ATOM 0 HD3 ARG A 81 19.281 -5.389 3.195 1.00 1.00 H new ATOM 0 HE ARG A 81 21.115 -4.704 1.912 1.00 1.00 H new ATOM 0 HH11 ARG A 81 21.836 -7.834 3.419 1.00 1.00 H new ATOM 0 HH12 ARG A 81 23.387 -8.011 2.592 1.00 1.00 H new ATOM 0 HH21 ARG A 81 23.121 -4.932 0.843 1.00 1.00 H new ATOM 0 HH22 ARG A 81 24.117 -6.363 1.129 1.00 1.00 H new ATOM 1171 N ASN A 82 17.682 -6.274 7.982 1.00 1.00 N ATOM 1172 CA ASN A 82 17.137 -5.979 9.297 1.00 1.00 C ATOM 1173 C ASN A 82 16.497 -4.589 9.280 1.00 1.00 C ATOM 1174 O ASN A 82 16.855 -3.728 10.081 1.00 1.00 O ATOM 1175 CB ASN A 82 18.236 -5.981 10.361 1.00 1.00 C ATOM 1176 CG ASN A 82 18.294 -7.327 11.087 1.00 1.00 C ATOM 1177 OD1 ASN A 82 17.290 -7.883 11.500 1.00 1.00 O ATOM 1178 ND2 ASN A 82 19.524 -7.818 11.217 1.00 1.00 N ATOM 0 H ASN A 82 17.168 -5.859 7.204 1.00 1.00 H new ATOM 0 HA ASN A 82 16.401 -6.746 9.537 1.00 1.00 H new ATOM 0 HB2 ASN A 82 19.199 -5.774 9.895 1.00 1.00 H new ATOM 0 HB3 ASN A 82 18.052 -5.183 11.081 1.00 1.00 H new ATOM 0 HD21 ASN A 82 19.669 -8.712 11.686 1.00 1.00 H new ATOM 0 HD22 ASN A 82 20.321 -7.300 10.848 1.00 1.00 H new ATOM 1185 N CYS A 83 15.563 -4.414 8.358 1.00 1.00 N ATOM 1186 CA CYS A 83 14.870 -3.144 8.225 1.00 1.00 C ATOM 1187 C CYS A 83 13.575 -3.380 7.447 1.00 1.00 C ATOM 1188 O CYS A 83 13.522 -4.242 6.570 1.00 1.00 O ATOM 1189 CB CYS A 83 15.751 -2.085 7.558 1.00 1.00 C ATOM 1190 SG CYS A 83 17.209 -1.573 8.539 1.00 1.00 S ATOM 0 H CYS A 83 15.269 -5.131 7.695 1.00 1.00 H new ATOM 0 HA CYS A 83 14.631 -2.754 9.214 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.094 -2.470 6.597 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.143 -1.205 7.350 1.00 1.00 H new ATOM 1195 N CYS A 84 12.561 -2.602 7.796 1.00 1.00 N ATOM 1196 CA CYS A 84 11.270 -2.716 7.140 1.00 1.00 C ATOM 1197 C CYS A 84 11.315 -1.906 5.843 1.00 1.00 C ATOM 1198 O CYS A 84 11.764 -0.761 5.839 1.00 1.00 O ATOM 1199 CB CYS A 84 10.129 -2.267 8.055 1.00 1.00 C ATOM 1200 SG CYS A 84 9.986 -3.203 9.621 1.00 1.00 S ATOM 0 H CYS A 84 12.608 -1.890 8.525 1.00 1.00 H new ATOM 0 HA CYS A 84 11.070 -3.762 6.906 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.265 -1.211 8.290 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.189 -2.353 7.509 1.00 1.00 H new ATOM 1205 N PHE A 85 10.843 -2.532 4.775 1.00 1.00 N ATOM 1206 CA PHE A 85 10.824 -1.883 3.475 1.00 1.00 C ATOM 1207 C PHE A 85 9.393 -1.739 2.955 1.00 1.00 C ATOM 1208 O PHE A 85 8.783 -2.717 2.526 1.00 1.00 O ATOM 1209 CB PHE A 85 11.615 -2.777 2.517 1.00 1.00 C ATOM 1210 CG PHE A 85 11.885 -2.140 1.152 1.00 1.00 C ATOM 1211 CD1 PHE A 85 10.859 -1.935 0.283 1.00 1.00 C ATOM 1212 CD2 PHE A 85 13.150 -1.781 0.807 1.00 1.00 C ATOM 1213 CE1 PHE A 85 11.108 -1.344 -0.984 1.00 1.00 C ATOM 1214 CE2 PHE A 85 13.400 -1.191 -0.460 1.00 1.00 C ATOM 1215 CZ PHE A 85 12.374 -0.985 -1.329 1.00 1.00 C ATOM 0 H PHE A 85 10.471 -3.482 4.783 1.00 1.00 H new ATOM 0 HA PHE A 85 11.256 -0.885 3.551 1.00 1.00 H new ATOM 0 HB2 PHE A 85 12.567 -3.036 2.980 1.00 1.00 H new ATOM 0 HB3 PHE A 85 11.068 -3.708 2.370 1.00 1.00 H new ATOM 0 HD1 PHE A 85 9.854 -2.222 0.557 1.00 1.00 H new ATOM 0 HD2 PHE A 85 13.965 -1.945 1.497 1.00 1.00 H new ATOM 0 HE1 PHE A 85 10.293 -1.180 -1.673 1.00 1.00 H new ATOM 0 HE2 PHE A 85 14.405 -0.906 -0.734 1.00 1.00 H new ATOM 0 HZ PHE A 85 12.564 -0.536 -2.293 1.00 1.00 H new ATOM 1225 N SER A 86 8.899 -0.511 3.010 1.00 1.00 N ATOM 1226 CA SER A 86 7.550 -0.227 2.549 1.00 1.00 C ATOM 1227 C SER A 86 7.561 0.984 1.613 1.00 1.00 C ATOM 1228 O SER A 86 7.205 2.090 2.017 1.00 1.00 O ATOM 1229 CB SER A 86 6.606 0.023 3.727 1.00 1.00 C ATOM 1230 OG SER A 86 5.302 0.400 3.296 1.00 1.00 O ATOM 0 H SER A 86 9.408 0.298 3.366 1.00 1.00 H new ATOM 0 HA SER A 86 7.185 -1.097 2.004 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.540 -0.879 4.336 1.00 1.00 H new ATOM 0 HB3 SER A 86 7.019 0.807 4.362 1.00 1.00 H new ATOM 0 HG SER A 86 4.730 0.549 4.077 1.00 1.00 H new ATOM 1236 N ASP A 87 7.974 0.734 0.379 1.00 1.00 N ATOM 1237 CA ASP A 87 8.036 1.788 -0.618 1.00 1.00 C ATOM 1238 C ASP A 87 6.615 2.210 -0.998 1.00 1.00 C ATOM 1239 O ASP A 87 6.428 3.164 -1.751 1.00 1.00 O ATOM 1240 CB ASP A 87 8.742 1.306 -1.887 1.00 1.00 C ATOM 1241 CG ASP A 87 7.843 0.582 -2.891 1.00 1.00 C ATOM 1242 OD1 ASP A 87 6.880 -0.065 -2.426 1.00 1.00 O ATOM 1243 OD2 ASP A 87 8.140 0.692 -4.100 1.00 1.00 O ATOM 0 H ASP A 87 8.269 -0.184 0.047 1.00 1.00 H new ATOM 0 HA ASP A 87 8.592 2.623 -0.191 1.00 1.00 H new ATOM 0 HB2 ASP A 87 9.195 2.165 -2.381 1.00 1.00 H new ATOM 0 HB3 ASP A 87 9.554 0.638 -1.601 1.00 1.00 H new ATOM 1248 N THR A 88 5.652 1.478 -0.459 1.00 1.00 N ATOM 1249 CA THR A 88 4.253 1.764 -0.732 1.00 1.00 C ATOM 1250 C THR A 88 4.030 3.273 -0.847 1.00 1.00 C ATOM 1251 O THR A 88 3.160 3.721 -1.594 1.00 1.00 O ATOM 1252 CB THR A 88 3.413 1.107 0.365 1.00 1.00 C ATOM 1253 OG1 THR A 88 2.068 1.347 -0.037 1.00 1.00 O ATOM 1254 CG2 THR A 88 3.535 1.830 1.708 1.00 1.00 C ATOM 0 H THR A 88 5.812 0.687 0.165 1.00 1.00 H new ATOM 0 HA THR A 88 3.944 1.348 -1.691 1.00 1.00 H new ATOM 0 HB THR A 88 3.719 0.068 0.483 1.00 1.00 H new ATOM 0 HG1 THR A 88 1.455 0.953 0.618 1.00 1.00 H new ATOM 0 HG21 THR A 88 2.919 1.323 2.451 1.00 1.00 H new ATOM 0 HG22 THR A 88 4.576 1.822 2.032 1.00 1.00 H new ATOM 0 HG23 THR A 88 3.197 2.860 1.599 1.00 1.00 H new ATOM 1262 N ILE A 89 4.831 4.016 -0.098 1.00 1.00 N ATOM 1263 CA ILE A 89 4.731 5.466 -0.106 1.00 1.00 C ATOM 1264 C ILE A 89 6.072 6.062 -0.539 1.00 1.00 C ATOM 1265 O ILE A 89 7.034 6.057 0.229 1.00 1.00 O ATOM 1266 CB ILE A 89 4.239 5.977 1.250 1.00 1.00 C ATOM 1267 CG1 ILE A 89 2.710 5.967 1.318 1.00 1.00 C ATOM 1268 CG2 ILE A 89 4.817 7.360 1.557 1.00 1.00 C ATOM 1269 CD1 ILE A 89 2.217 5.028 2.419 1.00 1.00 C ATOM 0 H ILE A 89 5.552 3.642 0.519 1.00 1.00 H new ATOM 0 HA ILE A 89 3.987 5.793 -0.832 1.00 1.00 H new ATOM 0 HB ILE A 89 4.600 5.298 2.022 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.344 6.977 1.505 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.302 5.653 0.357 1.00 1.00 H new ATOM 0 HG21 ILE A 89 4.452 7.700 2.526 1.00 1.00 H new ATOM 0 HG22 ILE A 89 5.905 7.303 1.579 1.00 1.00 H new ATOM 0 HG23 ILE A 89 4.506 8.064 0.785 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.127 5.039 2.446 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.564 4.015 2.216 1.00 1.00 H new ATOM 0 HD13 ILE A 89 2.607 5.359 3.381 1.00 1.00 H new ATOM 1281 N PRO A 90 6.093 6.574 -1.798 1.00 1.00 N ATOM 1282 CA PRO A 90 7.301 7.174 -2.341 1.00 1.00 C ATOM 1283 C PRO A 90 7.547 8.557 -1.736 1.00 1.00 C ATOM 1284 O PRO A 90 6.603 9.301 -1.474 1.00 1.00 O ATOM 1285 CB PRO A 90 7.078 7.213 -3.844 1.00 1.00 C ATOM 1286 CG PRO A 90 5.578 7.068 -4.047 1.00 1.00 C ATOM 1287 CD PRO A 90 4.974 6.598 -2.734 1.00 1.00 C ATOM 0 HA PRO A 90 8.199 6.605 -2.099 1.00 1.00 H new ATOM 0 HB2 PRO A 90 7.441 8.149 -4.268 1.00 1.00 H new ATOM 0 HB3 PRO A 90 7.619 6.407 -4.340 1.00 1.00 H new ATOM 0 HG2 PRO A 90 5.140 8.019 -4.350 1.00 1.00 H new ATOM 0 HG3 PRO A 90 5.368 6.352 -4.842 1.00 1.00 H new ATOM 0 HD2 PRO A 90 4.189 7.274 -2.395 1.00 1.00 H new ATOM 0 HD3 PRO A 90 4.523 5.611 -2.837 1.00 1.00 H new ATOM 1295 N GLU A 91 8.820 8.861 -1.533 1.00 1.00 N ATOM 1296 CA GLU A 91 9.202 10.143 -0.964 1.00 1.00 C ATOM 1297 C GLU A 91 9.328 10.032 0.556 1.00 1.00 C ATOM 1298 O GLU A 91 9.153 11.018 1.271 1.00 1.00 O ATOM 1299 CB GLU A 91 8.204 11.235 -1.354 1.00 1.00 C ATOM 1300 CG GLU A 91 7.818 11.124 -2.830 1.00 1.00 C ATOM 1301 CD GLU A 91 8.242 12.375 -3.603 1.00 1.00 C ATOM 1302 OE1 GLU A 91 9.263 12.971 -3.201 1.00 1.00 O ATOM 1303 OE2 GLU A 91 7.533 12.706 -4.578 1.00 1.00 O ATOM 0 H GLU A 91 9.601 8.242 -1.752 1.00 1.00 H new ATOM 0 HA GLU A 91 10.174 10.424 -1.370 1.00 1.00 H new ATOM 0 HB2 GLU A 91 7.311 11.155 -0.734 1.00 1.00 H new ATOM 0 HB3 GLU A 91 8.639 12.216 -1.161 1.00 1.00 H new ATOM 0 HG2 GLU A 91 8.290 10.244 -3.268 1.00 1.00 H new ATOM 0 HG3 GLU A 91 6.740 10.985 -2.918 1.00 1.00 H new ATOM 1310 N VAL A 92 9.630 8.823 1.007 1.00 1.00 N ATOM 1311 CA VAL A 92 9.782 8.571 2.430 1.00 1.00 C ATOM 1312 C VAL A 92 10.753 7.407 2.636 1.00 1.00 C ATOM 1313 O VAL A 92 11.146 6.743 1.678 1.00 1.00 O ATOM 1314 CB VAL A 92 8.412 8.326 3.066 1.00 1.00 C ATOM 1315 CG1 VAL A 92 7.326 9.137 2.357 1.00 1.00 C ATOM 1316 CG2 VAL A 92 8.069 6.835 3.071 1.00 1.00 C ATOM 0 H VAL A 92 9.774 8.007 0.412 1.00 1.00 H new ATOM 0 HA VAL A 92 10.207 9.442 2.930 1.00 1.00 H new ATOM 0 HB VAL A 92 8.458 8.662 4.102 1.00 1.00 H new ATOM 0 HG11 VAL A 92 6.362 8.945 2.828 1.00 1.00 H new ATOM 0 HG12 VAL A 92 7.560 10.199 2.429 1.00 1.00 H new ATOM 0 HG13 VAL A 92 7.281 8.846 1.308 1.00 1.00 H new ATOM 0 HG21 VAL A 92 7.091 6.688 3.528 1.00 1.00 H new ATOM 0 HG22 VAL A 92 8.050 6.462 2.047 1.00 1.00 H new ATOM 0 HG23 VAL A 92 8.821 6.290 3.641 1.00 1.00 H new ATOM 1326 N PRO A 93 11.124 7.190 3.927 1.00 1.00 N ATOM 1327 CA PRO A 93 12.042 6.118 4.272 1.00 1.00 C ATOM 1328 C PRO A 93 11.346 4.757 4.206 1.00 1.00 C ATOM 1329 O PRO A 93 10.584 4.402 5.104 1.00 1.00 O ATOM 1330 CB PRO A 93 12.544 6.462 5.664 1.00 1.00 C ATOM 1331 CG PRO A 93 11.544 7.455 6.234 1.00 1.00 C ATOM 1332 CD PRO A 93 10.680 7.956 5.088 1.00 1.00 C ATOM 0 HA PRO A 93 12.874 6.036 3.573 1.00 1.00 H new ATOM 0 HB2 PRO A 93 12.608 5.570 6.288 1.00 1.00 H new ATOM 0 HB3 PRO A 93 13.544 6.894 5.623 1.00 1.00 H new ATOM 0 HG2 PRO A 93 10.928 6.980 6.998 1.00 1.00 H new ATOM 0 HG3 PRO A 93 12.062 8.286 6.713 1.00 1.00 H new ATOM 0 HD2 PRO A 93 9.621 7.792 5.289 1.00 1.00 H new ATOM 0 HD3 PRO A 93 10.813 9.026 4.931 1.00 1.00 H new ATOM 1340 N TRP A 94 11.633 4.032 3.135 1.00 1.00 N ATOM 1341 CA TRP A 94 11.044 2.718 2.941 1.00 1.00 C ATOM 1342 C TRP A 94 11.642 1.773 3.985 1.00 1.00 C ATOM 1343 O TRP A 94 10.919 1.014 4.626 1.00 1.00 O ATOM 1344 CB TRP A 94 11.251 2.232 1.505 1.00 1.00 C ATOM 1345 CG TRP A 94 10.762 3.213 0.438 1.00 1.00 C ATOM 1346 CD1 TRP A 94 9.976 4.285 0.603 1.00 1.00 C ATOM 1347 CD2 TRP A 94 11.060 3.167 -0.973 1.00 1.00 C ATOM 1348 NE1 TRP A 94 9.746 4.933 -0.595 1.00 1.00 N ATOM 1349 CE2 TRP A 94 10.426 4.231 -1.583 1.00 1.00 C ATOM 1350 CE3 TRP A 94 11.838 2.258 -1.710 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 10.507 4.485 -2.957 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 11.909 2.526 -3.082 1.00 1.00 C ATOM 1353 CH2 TRP A 94 11.277 3.593 -3.712 1.00 1.00 C ATOM 0 H TRP A 94 12.266 4.330 2.392 1.00 1.00 H new ATOM 0 HA TRP A 94 9.964 2.754 3.083 1.00 1.00 H new ATOM 0 HB2 TRP A 94 12.312 2.039 1.347 1.00 1.00 H new ATOM 0 HB3 TRP A 94 10.732 1.282 1.376 1.00 1.00 H new ATOM 0 HD1 TRP A 94 9.573 4.603 1.553 1.00 1.00 H new ATOM 0 HE1 TRP A 94 9.181 5.772 -0.730 1.00 1.00 H new ATOM 0 HE3 TRP A 94 12.342 1.419 -1.254 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 10.002 5.325 -3.411 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 12.496 1.857 -3.694 1.00 1.00 H new ATOM 0 HH2 TRP A 94 11.380 3.732 -4.778 1.00 1.00 H new ATOM 1364 N CYS A 95 12.958 1.850 4.121 1.00 1.00 N ATOM 1365 CA CYS A 95 13.661 1.011 5.077 1.00 1.00 C ATOM 1366 C CYS A 95 13.728 1.754 6.412 1.00 1.00 C ATOM 1367 O CYS A 95 14.557 2.644 6.591 1.00 1.00 O ATOM 1368 CB CYS A 95 15.052 0.621 4.571 1.00 1.00 C ATOM 1369 SG CYS A 95 15.077 -0.789 3.406 1.00 1.00 S ATOM 0 H CYS A 95 13.555 2.480 3.586 1.00 1.00 H new ATOM 0 HA CYS A 95 13.118 0.075 5.211 1.00 1.00 H new ATOM 0 HB2 CYS A 95 15.501 1.486 4.083 1.00 1.00 H new ATOM 0 HB3 CYS A 95 15.680 0.377 5.428 1.00 1.00 H new ATOM 1374 N PHE A 96 12.841 1.362 7.316 1.00 1.00 N ATOM 1375 CA PHE A 96 12.788 1.980 8.630 1.00 1.00 C ATOM 1376 C PHE A 96 12.975 0.938 9.734 1.00 1.00 C ATOM 1377 O PHE A 96 13.303 -0.215 9.456 1.00 1.00 O ATOM 1378 CB PHE A 96 11.403 2.614 8.771 1.00 1.00 C ATOM 1379 CG PHE A 96 10.267 1.756 8.209 1.00 1.00 C ATOM 1380 CD1 PHE A 96 9.979 1.795 6.881 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.545 0.956 9.038 1.00 1.00 C ATOM 1382 CE1 PHE A 96 8.925 1.001 6.359 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.491 0.161 8.517 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.202 0.199 7.188 1.00 1.00 C ATOM 0 H PHE A 96 12.154 0.624 7.164 1.00 1.00 H new ATOM 0 HA PHE A 96 13.584 2.718 8.726 1.00 1.00 H new ATOM 0 HB2 PHE A 96 11.210 2.810 9.826 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.402 3.578 8.263 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.553 2.431 6.223 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.774 0.925 10.093 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.696 1.033 5.304 1.00 1.00 H new ATOM 0 HE2 PHE A 96 7.918 -0.475 9.176 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.400 -0.406 6.791 1.00 1.00 H new ATOM 1394 N PHE A 97 12.757 1.380 10.964 1.00 1.00 N ATOM 1395 CA PHE A 97 12.897 0.499 12.112 1.00 1.00 C ATOM 1396 C PHE A 97 11.529 0.116 12.678 1.00 1.00 C ATOM 1397 O PHE A 97 10.603 0.927 12.680 1.00 1.00 O ATOM 1398 CB PHE A 97 13.679 1.272 13.176 1.00 1.00 C ATOM 1399 CG PHE A 97 15.180 1.365 12.901 1.00 1.00 C ATOM 1400 CD1 PHE A 97 15.951 0.245 12.953 1.00 1.00 C ATOM 1401 CD2 PHE A 97 15.745 2.566 12.605 1.00 1.00 C ATOM 1402 CE1 PHE A 97 17.346 0.330 12.698 1.00 1.00 C ATOM 1403 CE2 PHE A 97 17.140 2.652 12.350 1.00 1.00 C ATOM 1404 CZ PHE A 97 17.911 1.532 12.402 1.00 1.00 C ATOM 0 H PHE A 97 12.484 2.336 11.191 1.00 1.00 H new ATOM 0 HA PHE A 97 13.408 -0.418 11.818 1.00 1.00 H new ATOM 0 HB2 PHE A 97 13.271 2.280 13.251 1.00 1.00 H new ATOM 0 HB3 PHE A 97 13.526 0.793 14.143 1.00 1.00 H new ATOM 0 HD1 PHE A 97 15.502 -0.709 13.188 1.00 1.00 H new ATOM 0 HD2 PHE A 97 15.133 3.455 12.564 1.00 1.00 H new ATOM 0 HE1 PHE A 97 17.958 -0.559 12.739 1.00 1.00 H new ATOM 0 HE2 PHE A 97 17.588 3.606 12.115 1.00 1.00 H new ATOM 0 HZ PHE A 97 18.971 1.597 12.208 1.00 1.00 H new ATOM 1414 N PRO A 98 11.441 -1.153 13.158 1.00 1.00 N ATOM 1415 CA PRO A 98 10.201 -1.654 13.726 1.00 1.00 C ATOM 1416 C PRO A 98 9.962 -1.073 15.122 1.00 1.00 C ATOM 1417 O PRO A 98 10.750 -1.305 16.038 1.00 1.00 O ATOM 1418 CB PRO A 98 10.353 -3.166 13.732 1.00 1.00 C ATOM 1419 CG PRO A 98 11.843 -3.436 13.602 1.00 1.00 C ATOM 1420 CD PRO A 98 12.515 -2.141 13.174 1.00 1.00 C ATOM 0 HA PRO A 98 9.325 -1.357 13.149 1.00 1.00 H new ATOM 0 HB2 PRO A 98 9.957 -3.595 14.653 1.00 1.00 H new ATOM 0 HB3 PRO A 98 9.801 -3.617 12.908 1.00 1.00 H new ATOM 0 HG2 PRO A 98 12.252 -3.783 14.551 1.00 1.00 H new ATOM 0 HG3 PRO A 98 12.026 -4.222 12.869 1.00 1.00 H new ATOM 0 HD2 PRO A 98 13.305 -1.856 13.869 1.00 1.00 H new ATOM 0 HD3 PRO A 98 12.976 -2.240 12.191 1.00 1.00 H new ATOM 1428 N MET A 99 8.873 -0.328 15.240 1.00 1.00 N ATOM 1429 CA MET A 99 8.521 0.288 16.508 1.00 1.00 C ATOM 1430 C MET A 99 7.538 -0.586 17.289 1.00 1.00 C ATOM 1431 O MET A 99 6.869 -1.441 16.711 1.00 1.00 O ATOM 1432 CB MET A 99 7.893 1.660 16.251 1.00 1.00 C ATOM 1433 CG MET A 99 8.347 2.675 17.302 1.00 1.00 C ATOM 1434 SD MET A 99 8.006 4.333 16.735 1.00 1.00 S ATOM 1435 CE MET A 99 9.314 4.528 15.537 1.00 1.00 C ATOM 0 H MET A 99 8.222 -0.137 14.478 1.00 1.00 H new ATOM 0 HA MET A 99 9.429 0.399 17.101 1.00 1.00 H new ATOM 0 HB2 MET A 99 8.171 2.011 15.257 1.00 1.00 H new ATOM 0 HB3 MET A 99 6.806 1.576 16.267 1.00 1.00 H new ATOM 0 HG2 MET A 99 7.831 2.491 18.244 1.00 1.00 H new ATOM 0 HG3 MET A 99 9.414 2.560 17.494 1.00 1.00 H new ATOM 0 HE1 MET A 99 9.587 5.581 15.465 1.00 1.00 H new ATOM 0 HE2 MET A 99 10.183 3.948 15.849 1.00 1.00 H new ATOM 0 HE3 MET A 99 8.972 4.175 14.564 1.00 1.00 H new ATOM 1445 N SER A 100 7.483 -0.342 18.589 1.00 1.00 N ATOM 1446 CA SER A 100 6.594 -1.097 19.456 1.00 1.00 C ATOM 1447 C SER A 100 5.317 -0.295 19.720 1.00 1.00 C ATOM 1448 O SER A 100 5.267 0.904 19.457 1.00 1.00 O ATOM 1449 CB SER A 100 7.281 -1.451 20.776 1.00 1.00 C ATOM 1450 OG SER A 100 6.375 -2.034 21.710 1.00 1.00 O ATOM 0 H SER A 100 8.040 0.368 19.064 1.00 1.00 H new ATOM 0 HA SER A 100 6.334 -2.028 18.953 1.00 1.00 H new ATOM 0 HB2 SER A 100 8.100 -2.144 20.584 1.00 1.00 H new ATOM 0 HB3 SER A 100 7.720 -0.552 21.209 1.00 1.00 H new ATOM 0 HG SER A 100 6.852 -2.247 22.539 1.00 1.00 H new ATOM 1456 N VAL A 101 4.316 -0.993 20.237 1.00 1.00 N ATOM 1457 CA VAL A 101 3.042 -0.363 20.539 1.00 1.00 C ATOM 1458 C VAL A 101 3.264 0.763 21.553 1.00 1.00 C ATOM 1459 O VAL A 101 3.877 1.780 21.233 1.00 1.00 O ATOM 1460 CB VAL A 101 2.040 -1.412 21.021 1.00 1.00 C ATOM 1461 CG1 VAL A 101 1.421 -2.162 19.840 1.00 1.00 C ATOM 1462 CG2 VAL A 101 2.693 -2.385 22.006 1.00 1.00 C ATOM 0 H VAL A 101 4.362 -1.989 20.454 1.00 1.00 H new ATOM 0 HA VAL A 101 2.615 0.085 19.642 1.00 1.00 H new ATOM 0 HB VAL A 101 1.239 -0.892 21.546 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.712 -2.902 20.210 1.00 1.00 H new ATOM 0 HG12 VAL A 101 0.903 -1.456 19.192 1.00 1.00 H new ATOM 0 HG13 VAL A 101 2.207 -2.663 19.275 1.00 1.00 H new ATOM 0 HG21 VAL A 101 1.958 -3.120 22.333 1.00 1.00 H new ATOM 0 HG22 VAL A 101 3.523 -2.895 21.517 1.00 1.00 H new ATOM 0 HG23 VAL A 101 3.064 -1.834 22.870 1.00 1.00 H new ATOM 1472 N GLU A 102 2.753 0.541 22.756 1.00 1.00 N ATOM 1473 CA GLU A 102 2.887 1.523 23.819 1.00 1.00 C ATOM 1474 C GLU A 102 2.622 2.929 23.278 1.00 1.00 C ATOM 1475 O GLU A 102 3.550 3.721 23.116 1.00 1.00 O ATOM 1476 CB GLU A 102 4.267 1.437 24.473 1.00 1.00 C ATOM 1477 CG GLU A 102 5.377 1.494 23.421 1.00 1.00 C ATOM 1478 CD GLU A 102 6.757 1.509 24.082 1.00 1.00 C ATOM 1479 OE1 GLU A 102 6.911 0.788 25.092 1.00 1.00 O ATOM 1480 OE2 GLU A 102 7.628 2.239 23.561 1.00 1.00 O ATOM 0 H GLU A 102 2.246 -0.304 23.018 1.00 1.00 H new ATOM 0 HA GLU A 102 2.144 1.305 24.586 1.00 1.00 H new ATOM 0 HB2 GLU A 102 4.390 2.257 25.181 1.00 1.00 H new ATOM 0 HB3 GLU A 102 4.347 0.510 25.041 1.00 1.00 H new ATOM 0 HG2 GLU A 102 5.297 0.634 22.756 1.00 1.00 H new ATOM 0 HG3 GLU A 102 5.255 2.385 22.806 1.00 1.00 H new ATOM 1487 N ASP A 103 1.352 3.198 23.013 1.00 1.00 N ATOM 1488 CA ASP A 103 0.955 4.496 22.494 1.00 1.00 C ATOM 1489 C ASP A 103 -0.341 4.345 21.694 1.00 1.00 C ATOM 1490 O ASP A 103 -1.119 5.291 21.580 1.00 1.00 O ATOM 1491 CB ASP A 103 2.024 5.067 21.560 1.00 1.00 C ATOM 1492 CG ASP A 103 2.735 4.035 20.683 1.00 1.00 C ATOM 1493 OD1 ASP A 103 2.080 3.022 20.354 1.00 1.00 O ATOM 1494 OD2 ASP A 103 3.917 4.281 20.362 1.00 1.00 O ATOM 0 H ASP A 103 0.585 2.540 23.148 1.00 1.00 H new ATOM 0 HA ASP A 103 0.819 5.170 23.340 1.00 1.00 H new ATOM 0 HB2 ASP A 103 1.560 5.812 20.914 1.00 1.00 H new ATOM 0 HB3 ASP A 103 2.770 5.586 22.161 1.00 1.00 H new ATOM 1499 N CYS A 104 -0.532 3.147 21.159 1.00 1.00 N ATOM 1500 CA CYS A 104 -1.720 2.861 20.372 1.00 1.00 C ATOM 1501 C CYS A 104 -2.712 2.107 21.259 1.00 1.00 C ATOM 1502 O CYS A 104 -2.326 1.517 22.267 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.381 2.079 19.101 1.00 1.00 C ATOM 1504 SG CYS A 104 0.262 2.450 18.387 1.00 1.00 S ATOM 0 H CYS A 104 0.115 2.365 21.255 1.00 1.00 H new ATOM 0 HA CYS A 104 -2.171 3.794 20.036 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.433 1.013 19.322 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -2.143 2.286 18.350 1.00 1.00 H new ATOM 1509 N HIS A 105 -3.972 2.152 20.851 1.00 1.00 N ATOM 1510 CA HIS A 105 -5.024 1.481 21.597 1.00 1.00 C ATOM 1511 C HIS A 105 -6.256 1.309 20.706 1.00 1.00 C ATOM 1512 O HIS A 105 -6.410 2.018 19.712 1.00 1.00 O ATOM 1513 CB HIS A 105 -5.331 2.228 22.896 1.00 1.00 C ATOM 1514 CG HIS A 105 -5.608 3.700 22.707 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -6.806 4.179 22.205 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -4.832 4.793 22.957 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -6.742 5.501 22.160 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -5.517 5.880 22.626 1.00 1.00 N ATOM 0 H HIS A 105 -4.288 2.642 20.014 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.689 0.486 21.890 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -6.194 1.765 23.374 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -4.488 2.112 23.578 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -3.829 4.777 23.357 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -7.523 6.163 21.815 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -5.183 6.840 22.707 1.00 1.00 H new ATOM 1526 N TYR A 106 -7.101 0.366 21.095 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.314 0.094 20.342 1.00 1.00 C ATOM 1528 C TYR A 106 -9.517 0.802 20.968 1.00 1.00 C ATOM 1529 O TYR A 106 -9.565 2.031 21.013 1.00 1.00 O ATOM 1530 CB TYR A 106 -8.530 -1.420 20.424 1.00 1.00 C ATOM 1531 CG TYR A 106 -7.411 -2.242 19.783 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -6.211 -2.410 20.443 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -7.602 -2.817 18.542 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -5.159 -3.185 19.840 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -6.549 -3.592 17.938 1.00 1.00 C ATOM 1536 CZ TYR A 106 -5.379 -3.738 18.616 1.00 1.00 C ATOM 1537 OH TYR A 106 -4.384 -4.470 18.046 1.00 1.00 O ATOM 0 H TYR A 106 -6.970 -0.219 21.921 1.00 1.00 H new ATOM 0 HA TYR A 106 -8.217 0.448 19.316 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -8.624 -1.707 21.471 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.474 -1.669 19.939 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -6.061 -1.959 21.413 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -8.541 -2.686 18.025 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -4.216 -3.325 20.347 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -6.685 -4.047 16.968 1.00 1.00 H new ATOM 0 HH TYR A 106 -3.797 -4.825 18.746 1.00 1.00 H new