USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 801 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 80 GLN : amide:sc= -1.81 K(o=-2,f=-4.3!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.208 X(o=-2,f=-2.3) USER MOD Set 2.1: A 26 CYS SG : rot -139:sc= -1.12 USER MOD Set 2.2: A 28 HIS : no HD1:sc= 0.747 K(o=0.97,f=-4.8) USER MOD Set 2.3: A 53 TYR OH : rot -123:sc= 1.34 USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0326 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.744 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 6 SER OG : rot -157:sc= -0.391 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.471 K(o=-0.47,f=-4.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.712 (180deg=-1.65!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.219 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc=-0.00549 (180deg=-0.207) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0193 K(o=-0.019,f=-0.8) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= -0.25 (180deg=-1.44!) USER MOD Single : A 49 TYR OH : rot 132:sc= -1.61 USER MOD Single : A 52 HIS : no HD1:sc= -0.74 X(o=-0.74,f=-0.31) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.01) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.101 K(o=0.1,f=-11!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00755) USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -5.1! C(o=-7.1!,f=-5.1!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -137:sc= -2.85! (180deg=-5.81!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.065 13.090 -3.661 1.00 0.00 N ATOM 2 CA GLY A 1 22.536 13.243 -2.297 1.00 0.00 C ATOM 3 C GLY A 1 22.022 14.510 -1.644 1.00 0.00 C ATOM 4 O GLY A 1 21.757 15.502 -2.323 1.00 0.00 O ATOM 0 H1 GLY A 1 22.868 12.867 -4.283 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.369 12.318 -3.704 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.619 13.975 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.221 12.381 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.626 13.252 -2.291 1.00 0.00 H new ATOM 8 N SER A 2 21.878 14.477 -0.323 1.00 0.00 N ATOM 9 CA SER A 2 21.386 15.631 0.421 1.00 0.00 C ATOM 10 C SER A 2 21.853 15.580 1.873 1.00 0.00 C ATOM 11 O SER A 2 21.931 14.508 2.474 1.00 0.00 O ATOM 12 CB SER A 2 19.858 15.686 0.366 1.00 0.00 C ATOM 13 OG SER A 2 19.286 14.496 0.881 1.00 0.00 O ATOM 0 H SER A 2 22.095 13.664 0.254 1.00 0.00 H new ATOM 0 HA SER A 2 21.791 16.531 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.501 16.542 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.533 15.833 -0.664 1.00 0.00 H new ATOM 0 HG SER A 2 18.309 14.557 0.836 1.00 0.00 H new ATOM 19 N SER A 3 22.163 16.746 2.429 1.00 0.00 N ATOM 20 CA SER A 3 22.625 16.836 3.809 1.00 0.00 C ATOM 21 C SER A 3 22.386 18.233 4.373 1.00 0.00 C ATOM 22 O SER A 3 22.769 19.233 3.768 1.00 0.00 O ATOM 23 CB SER A 3 24.113 16.488 3.894 1.00 0.00 C ATOM 24 OG SER A 3 24.309 15.084 3.884 1.00 0.00 O ATOM 0 H SER A 3 22.103 17.642 1.945 1.00 0.00 H new ATOM 0 HA SER A 3 22.056 16.121 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.644 16.939 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.537 16.911 4.804 1.00 0.00 H new ATOM 0 HG SER A 3 23.531 14.648 3.478 1.00 0.00 H new ATOM 30 N GLY A 4 21.748 18.293 5.538 1.00 0.00 N ATOM 31 CA GLY A 4 21.467 19.571 6.165 1.00 0.00 C ATOM 32 C GLY A 4 20.020 19.698 6.599 1.00 0.00 C ATOM 33 O GLY A 4 19.113 19.702 5.767 1.00 0.00 O ATOM 0 H GLY A 4 21.421 17.479 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.116 19.697 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.706 20.374 5.468 1.00 0.00 H new ATOM 37 N SER A 5 19.802 19.802 7.906 1.00 0.00 N ATOM 38 CA SER A 5 18.455 19.924 8.450 1.00 0.00 C ATOM 39 C SER A 5 18.464 20.725 9.749 1.00 0.00 C ATOM 40 O SER A 5 18.970 20.264 10.772 1.00 0.00 O ATOM 41 CB SER A 5 17.853 18.539 8.695 1.00 0.00 C ATOM 42 OG SER A 5 17.816 17.780 7.499 1.00 0.00 O ATOM 0 H SER A 5 20.542 19.804 8.608 1.00 0.00 H new ATOM 0 HA SER A 5 17.842 20.454 7.721 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.441 18.011 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.844 18.643 9.095 1.00 0.00 H new ATOM 0 HG SER A 5 17.429 16.899 7.683 1.00 0.00 H new ATOM 48 N SER A 6 17.900 21.927 9.699 1.00 0.00 N ATOM 49 CA SER A 6 17.845 22.795 10.870 1.00 0.00 C ATOM 50 C SER A 6 16.602 22.503 11.705 1.00 0.00 C ATOM 51 O SER A 6 15.536 22.206 11.168 1.00 0.00 O ATOM 52 CB SER A 6 17.853 24.264 10.443 1.00 0.00 C ATOM 53 OG SER A 6 16.778 24.545 9.563 1.00 0.00 O ATOM 0 H SER A 6 17.475 22.322 8.861 1.00 0.00 H new ATOM 0 HA SER A 6 18.726 22.597 11.480 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.783 24.902 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.798 24.499 9.954 1.00 0.00 H new ATOM 0 HG SER A 6 16.992 25.338 9.028 1.00 0.00 H new ATOM 59 N GLY A 7 16.749 22.590 13.024 1.00 0.00 N ATOM 60 CA GLY A 7 15.632 22.332 13.913 1.00 0.00 C ATOM 61 C GLY A 7 14.850 23.589 14.241 1.00 0.00 C ATOM 62 O GLY A 7 13.669 23.697 13.910 1.00 0.00 O ATOM 0 H GLY A 7 17.622 22.835 13.492 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.966 21.603 13.452 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.002 21.886 14.836 1.00 0.00 H new ATOM 66 N MET A 8 15.509 24.540 14.894 1.00 0.00 N ATOM 67 CA MET A 8 14.867 25.796 15.267 1.00 0.00 C ATOM 68 C MET A 8 14.195 26.442 14.060 1.00 0.00 C ATOM 69 O MET A 8 13.011 26.775 14.102 1.00 0.00 O ATOM 70 CB MET A 8 15.892 26.757 15.871 1.00 0.00 C ATOM 71 CG MET A 8 16.148 26.523 17.351 1.00 0.00 C ATOM 72 SD MET A 8 17.537 27.486 17.977 1.00 0.00 S ATOM 73 CE MET A 8 17.113 27.604 19.713 1.00 0.00 C ATOM 0 H MET A 8 16.486 24.466 15.176 1.00 0.00 H new ATOM 0 HA MET A 8 14.102 25.578 16.012 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.832 26.660 15.328 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.546 27.781 15.728 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.251 26.778 17.915 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.341 25.463 17.519 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.880 28.174 20.237 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.152 28.106 19.819 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.049 26.603 20.141 1.00 0.00 H new ATOM 83 N ALA A 9 14.958 26.617 12.987 1.00 0.00 N ATOM 84 CA ALA A 9 14.435 27.222 11.768 1.00 0.00 C ATOM 85 C ALA A 9 13.388 26.326 11.116 1.00 0.00 C ATOM 86 O ALA A 9 13.431 25.100 11.223 1.00 0.00 O ATOM 87 CB ALA A 9 15.568 27.509 10.793 1.00 0.00 C ATOM 0 H ALA A 9 15.941 26.348 12.937 1.00 0.00 H new ATOM 0 HA ALA A 9 13.954 28.163 12.036 1.00 0.00 H new ATOM 0 HB1 ALA A 9 15.163 27.961 9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.279 28.195 11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.074 26.578 10.539 1.00 0.00 H new ATOM 93 N PRO A 10 12.422 26.949 10.424 1.00 0.00 N ATOM 94 CA PRO A 10 11.345 26.226 9.741 1.00 0.00 C ATOM 95 C PRO A 10 11.847 25.448 8.529 1.00 0.00 C ATOM 96 O PRO A 10 12.966 25.660 8.062 1.00 0.00 O ATOM 97 CB PRO A 10 10.392 27.341 9.303 1.00 0.00 C ATOM 98 CG PRO A 10 11.251 28.553 9.195 1.00 0.00 C ATOM 99 CD PRO A 10 12.308 28.407 10.255 1.00 0.00 C ATOM 0 HA PRO A 10 10.882 25.479 10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.918 27.105 8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.592 27.486 10.029 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.699 28.627 8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.667 29.460 9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.254 28.851 9.943 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.016 28.898 11.184 1.00 0.00 H new ATOM 107 N LYS A 11 11.012 24.546 8.024 1.00 0.00 N ATOM 108 CA LYS A 11 11.369 23.737 6.865 1.00 0.00 C ATOM 109 C LYS A 11 10.155 23.499 5.972 1.00 0.00 C ATOM 110 O LYS A 11 9.066 23.199 6.460 1.00 0.00 O ATOM 111 CB LYS A 11 11.956 22.397 7.314 1.00 0.00 C ATOM 112 CG LYS A 11 12.901 21.776 6.300 1.00 0.00 C ATOM 113 CD LYS A 11 13.815 20.749 6.946 1.00 0.00 C ATOM 114 CE LYS A 11 14.445 19.832 5.908 1.00 0.00 C ATOM 115 NZ LYS A 11 13.582 18.656 5.611 1.00 0.00 N ATOM 0 H LYS A 11 10.083 24.357 8.400 1.00 0.00 H new ATOM 0 HA LYS A 11 12.119 24.281 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.489 22.540 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.141 21.701 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.324 21.302 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.502 22.558 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.599 21.259 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.247 20.154 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.625 20.392 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.415 19.489 6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.046 18.056 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.431 18.107 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.665 18.982 5.244 1.00 0.00 H new ATOM 129 N GLN A 12 10.352 23.633 4.665 1.00 0.00 N ATOM 130 CA GLN A 12 9.273 23.432 3.706 1.00 0.00 C ATOM 131 C GLN A 12 8.625 22.064 3.894 1.00 0.00 C ATOM 132 O GLN A 12 9.149 21.212 4.612 1.00 0.00 O ATOM 133 CB GLN A 12 9.800 23.567 2.276 1.00 0.00 C ATOM 134 CG GLN A 12 10.405 24.929 1.977 1.00 0.00 C ATOM 135 CD GLN A 12 9.354 26.006 1.793 1.00 0.00 C ATOM 136 OE1 GLN A 12 8.234 25.888 2.290 1.00 0.00 O ATOM 137 NE2 GLN A 12 9.710 27.065 1.075 1.00 0.00 N ATOM 0 H GLN A 12 11.249 23.880 4.246 1.00 0.00 H new ATOM 0 HA GLN A 12 8.518 24.199 3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.552 22.798 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.984 23.380 1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.072 25.213 2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.013 24.862 1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.649 27.122 0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.044 27.821 0.917 1.00 0.00 H new ATOM 146 N ASP A 13 7.484 21.861 3.245 1.00 0.00 N ATOM 147 CA ASP A 13 6.765 20.595 3.341 1.00 0.00 C ATOM 148 C ASP A 13 7.732 19.416 3.297 1.00 0.00 C ATOM 149 O ASP A 13 8.815 19.491 2.716 1.00 0.00 O ATOM 150 CB ASP A 13 5.745 20.477 2.207 1.00 0.00 C ATOM 151 CG ASP A 13 4.745 21.616 2.208 1.00 0.00 C ATOM 152 OD1 ASP A 13 3.885 21.651 3.113 1.00 0.00 O ATOM 153 OD2 ASP A 13 4.822 22.473 1.303 1.00 0.00 O ATOM 0 H ASP A 13 7.037 22.556 2.647 1.00 0.00 H new ATOM 0 HA ASP A 13 6.240 20.575 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.269 20.458 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.213 19.530 2.298 1.00 0.00 H new ATOM 158 N PRO A 14 7.334 18.301 3.926 1.00 0.00 N ATOM 159 CA PRO A 14 8.151 17.084 3.973 1.00 0.00 C ATOM 160 C PRO A 14 8.251 16.400 2.614 1.00 0.00 C ATOM 161 O PRO A 14 7.443 16.651 1.720 1.00 0.00 O ATOM 162 CB PRO A 14 7.403 16.193 4.967 1.00 0.00 C ATOM 163 CG PRO A 14 5.990 16.662 4.908 1.00 0.00 C ATOM 164 CD PRO A 14 6.056 18.140 4.639 1.00 0.00 C ATOM 0 HA PRO A 14 9.181 17.295 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.483 15.141 4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.811 16.292 5.973 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.440 16.146 4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.472 16.458 5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.214 18.476 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.036 18.718 5.563 1.00 0.00 H new ATOM 172 N LYS A 15 9.246 15.532 2.466 1.00 0.00 N ATOM 173 CA LYS A 15 9.452 14.809 1.216 1.00 0.00 C ATOM 174 C LYS A 15 9.197 13.317 1.403 1.00 0.00 C ATOM 175 O LYS A 15 9.540 12.728 2.429 1.00 0.00 O ATOM 176 CB LYS A 15 10.875 15.034 0.701 1.00 0.00 C ATOM 177 CG LYS A 15 11.009 16.246 -0.206 1.00 0.00 C ATOM 178 CD LYS A 15 11.024 17.539 0.591 1.00 0.00 C ATOM 179 CE LYS A 15 11.423 18.724 -0.276 1.00 0.00 C ATOM 180 NZ LYS A 15 12.073 19.800 0.521 1.00 0.00 N ATOM 0 H LYS A 15 9.923 15.312 3.197 1.00 0.00 H new ATOM 0 HA LYS A 15 8.743 15.192 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.546 15.151 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.201 14.147 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.927 16.166 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.182 16.264 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.037 17.716 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.720 17.446 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.105 18.389 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.539 19.124 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.330 20.589 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.414 20.138 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.930 19.426 0.975 1.00 0.00 H new ATOM 194 N PRO A 16 8.583 12.689 0.390 1.00 0.00 N ATOM 195 CA PRO A 16 8.271 11.257 0.419 1.00 0.00 C ATOM 196 C PRO A 16 9.522 10.389 0.327 1.00 0.00 C ATOM 197 O PRO A 16 10.578 10.848 -0.108 1.00 0.00 O ATOM 198 CB PRO A 16 7.393 11.060 -0.819 1.00 0.00 C ATOM 199 CG PRO A 16 7.784 12.163 -1.741 1.00 0.00 C ATOM 200 CD PRO A 16 8.146 13.328 -0.862 1.00 0.00 C ATOM 0 HA PRO A 16 7.789 10.964 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.564 10.084 -1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.334 11.113 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.627 11.869 -2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.964 12.420 -2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.939 13.932 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.294 13.989 -0.700 1.00 0.00 H new ATOM 208 N LYS A 17 9.396 9.133 0.740 1.00 0.00 N ATOM 209 CA LYS A 17 10.516 8.199 0.703 1.00 0.00 C ATOM 210 C LYS A 17 10.340 7.183 -0.421 1.00 0.00 C ATOM 211 O LYS A 17 11.288 6.869 -1.141 1.00 0.00 O ATOM 212 CB LYS A 17 10.646 7.474 2.045 1.00 0.00 C ATOM 213 CG LYS A 17 10.991 8.395 3.202 1.00 0.00 C ATOM 214 CD LYS A 17 10.991 7.650 4.527 1.00 0.00 C ATOM 215 CE LYS A 17 11.882 8.334 5.551 1.00 0.00 C ATOM 216 NZ LYS A 17 11.336 9.655 5.968 1.00 0.00 N ATOM 0 H LYS A 17 8.529 8.738 1.105 1.00 0.00 H new ATOM 0 HA LYS A 17 11.426 8.768 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.708 6.963 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.415 6.706 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.972 8.840 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.272 9.213 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.973 7.590 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.334 6.627 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.988 7.693 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.879 8.469 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.973 10.089 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.258 10.276 5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.395 9.524 6.391 1.00 0.00 H new ATOM 230 N PHE A 18 9.122 6.673 -0.567 1.00 0.00 N ATOM 231 CA PHE A 18 8.822 5.693 -1.604 1.00 0.00 C ATOM 232 C PHE A 18 8.552 6.380 -2.940 1.00 0.00 C ATOM 233 O PHE A 18 8.159 7.545 -2.981 1.00 0.00 O ATOM 234 CB PHE A 18 7.614 4.845 -1.200 1.00 0.00 C ATOM 235 CG PHE A 18 7.701 4.308 0.200 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.262 5.065 1.275 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.219 3.046 0.442 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.341 4.573 2.564 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.300 2.549 1.729 1.00 0.00 C ATOM 240 CZ PHE A 18 7.859 3.313 2.791 1.00 0.00 C ATOM 0 H PHE A 18 8.326 6.922 0.020 1.00 0.00 H new ATOM 0 HA PHE A 18 9.690 5.044 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.710 5.446 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.516 4.011 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.854 6.050 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.564 2.443 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.998 5.174 3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.708 1.564 1.904 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.919 2.926 3.798 1.00 0.00 H new ATOM 250 N GLN A 19 8.766 5.648 -4.028 1.00 0.00 N ATOM 251 CA GLN A 19 8.546 6.186 -5.365 1.00 0.00 C ATOM 252 C GLN A 19 7.434 5.428 -6.082 1.00 0.00 C ATOM 253 O GLN A 19 7.151 4.274 -5.762 1.00 0.00 O ATOM 254 CB GLN A 19 9.836 6.116 -6.184 1.00 0.00 C ATOM 255 CG GLN A 19 10.947 7.004 -5.646 1.00 0.00 C ATOM 256 CD GLN A 19 12.328 6.449 -5.933 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.547 5.238 -5.880 1.00 0.00 O ATOM 258 NE2 GLN A 19 13.270 7.333 -6.241 1.00 0.00 N ATOM 0 H GLN A 19 9.091 4.681 -4.010 1.00 0.00 H new ATOM 0 HA GLN A 19 8.243 7.228 -5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.186 5.084 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.619 6.403 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.860 7.997 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.823 7.122 -4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.045 8.327 -6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.218 7.018 -6.445 1.00 0.00 H new ATOM 267 N GLU A 20 6.805 6.086 -7.051 1.00 0.00 N ATOM 268 CA GLU A 20 5.722 5.473 -7.812 1.00 0.00 C ATOM 269 C GLU A 20 6.242 4.321 -8.666 1.00 0.00 C ATOM 270 O GLU A 20 7.319 4.406 -9.254 1.00 0.00 O ATOM 271 CB GLU A 20 5.041 6.515 -8.701 1.00 0.00 C ATOM 272 CG GLU A 20 4.257 7.559 -7.925 1.00 0.00 C ATOM 273 CD GLU A 20 5.094 8.771 -7.567 1.00 0.00 C ATOM 274 OE1 GLU A 20 6.332 8.631 -7.476 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.513 9.860 -7.378 1.00 0.00 O ATOM 0 H GLU A 20 7.026 7.043 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 20 4.993 5.078 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.798 7.016 -9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.368 6.007 -9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.399 7.877 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.866 7.110 -7.012 1.00 0.00 H new ATOM 282 N GLY A 21 5.467 3.242 -8.729 1.00 0.00 N ATOM 283 CA GLY A 21 5.865 2.087 -9.512 1.00 0.00 C ATOM 284 C GLY A 21 6.658 1.081 -8.701 1.00 0.00 C ATOM 285 O GLY A 21 6.731 -0.094 -9.059 1.00 0.00 O ATOM 0 H GLY A 21 4.571 3.148 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.976 1.603 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.463 2.417 -10.361 1.00 0.00 H new ATOM 289 N GLU A 22 7.253 1.544 -7.606 1.00 0.00 N ATOM 290 CA GLU A 22 8.046 0.675 -6.744 1.00 0.00 C ATOM 291 C GLU A 22 7.145 -0.187 -5.865 1.00 0.00 C ATOM 292 O GLU A 22 6.262 0.322 -5.175 1.00 0.00 O ATOM 293 CB GLU A 22 8.985 1.508 -5.869 1.00 0.00 C ATOM 294 CG GLU A 22 9.682 0.702 -4.785 1.00 0.00 C ATOM 295 CD GLU A 22 10.941 0.019 -5.284 1.00 0.00 C ATOM 296 OE1 GLU A 22 10.869 -0.677 -6.318 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.998 0.183 -4.640 1.00 0.00 O ATOM 0 H GLU A 22 7.201 2.514 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 22 8.640 0.019 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.738 1.977 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.416 2.312 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.935 1.360 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.994 -0.050 -4.398 1.00 0.00 H new ATOM 304 N ARG A 23 7.376 -1.496 -5.895 1.00 0.00 N ATOM 305 CA ARG A 23 6.585 -2.430 -5.103 1.00 0.00 C ATOM 306 C ARG A 23 6.660 -2.083 -3.619 1.00 0.00 C ATOM 307 O ARG A 23 7.735 -1.795 -3.091 1.00 0.00 O ATOM 308 CB ARG A 23 7.072 -3.862 -5.328 1.00 0.00 C ATOM 309 CG ARG A 23 6.117 -4.920 -4.802 1.00 0.00 C ATOM 310 CD ARG A 23 6.442 -6.295 -5.364 1.00 0.00 C ATOM 311 NE ARG A 23 5.756 -6.545 -6.629 1.00 0.00 N ATOM 312 CZ ARG A 23 6.126 -7.485 -7.493 1.00 0.00 C ATOM 313 NH1 ARG A 23 7.170 -8.258 -7.229 1.00 0.00 N ATOM 314 NH2 ARG A 23 5.451 -7.652 -8.623 1.00 0.00 N ATOM 0 H ARG A 23 8.105 -1.933 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 23 5.547 -2.352 -5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.225 -4.021 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.041 -3.987 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.169 -4.949 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.094 -4.651 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.518 -6.381 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.158 -7.059 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 23 4.949 -5.967 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.691 -8.132 -6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.452 -8.979 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.647 -7.059 -8.829 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.736 -8.374 -9.285 1.00 0.00 H new ATOM 328 N VAL A 24 5.511 -2.112 -2.951 1.00 0.00 N ATOM 329 CA VAL A 24 5.447 -1.801 -1.528 1.00 0.00 C ATOM 330 C VAL A 24 4.320 -2.571 -0.848 1.00 0.00 C ATOM 331 O VAL A 24 3.447 -3.131 -1.512 1.00 0.00 O ATOM 332 CB VAL A 24 5.239 -0.294 -1.291 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.483 0.486 -1.690 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.021 0.202 -2.056 1.00 0.00 C ATOM 0 H VAL A 24 4.612 -2.348 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 24 6.402 -2.101 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 24 5.063 -0.132 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.317 1.549 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.331 0.148 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.693 0.320 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.889 1.269 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.165 0.028 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.135 -0.335 -1.717 1.00 0.00 H new ATOM 344 N LEU A 25 4.345 -2.596 0.480 1.00 0.00 N ATOM 345 CA LEU A 25 3.324 -3.297 1.251 1.00 0.00 C ATOM 346 C LEU A 25 2.406 -2.309 1.964 1.00 0.00 C ATOM 347 O LEU A 25 2.860 -1.490 2.764 1.00 0.00 O ATOM 348 CB LEU A 25 3.980 -4.229 2.272 1.00 0.00 C ATOM 349 CG LEU A 25 4.802 -5.383 1.696 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.583 -6.084 2.797 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.900 -6.369 0.968 1.00 0.00 C ATOM 0 H LEU A 25 5.061 -2.139 1.045 1.00 0.00 H new ATOM 0 HA LEU A 25 2.723 -3.889 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.628 -3.633 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.199 -4.647 2.907 1.00 0.00 H new ATOM 0 HG LEU A 25 5.513 -4.974 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.162 -6.902 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.258 -5.373 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.890 -6.480 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.502 -7.183 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.164 -6.772 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.387 -5.859 0.153 1.00 0.00 H new ATOM 363 N CYS A 26 1.113 -2.394 1.671 1.00 0.00 N ATOM 364 CA CYS A 26 0.130 -1.509 2.286 1.00 0.00 C ATOM 365 C CYS A 26 -0.608 -2.217 3.417 1.00 0.00 C ATOM 366 O CYS A 26 -0.721 -3.443 3.426 1.00 0.00 O ATOM 367 CB CYS A 26 -0.869 -1.017 1.237 1.00 0.00 C ATOM 368 SG CYS A 26 -2.421 -0.401 1.930 1.00 0.00 S ATOM 0 H CYS A 26 0.721 -3.066 1.012 1.00 0.00 H new ATOM 0 HA CYS A 26 0.659 -0.653 2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.404 -0.223 0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.089 -1.833 0.549 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.415 -0.807 1.197 1.00 0.00 H new ATOM 374 N PHE A 27 -1.107 -1.438 4.370 1.00 0.00 N ATOM 375 CA PHE A 27 -1.833 -1.991 5.508 1.00 0.00 C ATOM 376 C PHE A 27 -3.339 -1.833 5.321 1.00 0.00 C ATOM 377 O PHE A 27 -3.882 -0.737 5.460 1.00 0.00 O ATOM 378 CB PHE A 27 -1.393 -1.303 6.802 1.00 0.00 C ATOM 379 CG PHE A 27 -0.239 -1.984 7.481 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.344 -3.301 7.900 1.00 0.00 C ATOM 381 CD2 PHE A 27 0.950 -1.308 7.700 1.00 0.00 C ATOM 382 CE1 PHE A 27 0.716 -3.931 8.524 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.013 -1.933 8.324 1.00 0.00 C ATOM 384 CZ PHE A 27 1.896 -3.246 8.737 1.00 0.00 C ATOM 0 H PHE A 27 -1.022 -0.422 4.378 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.603 -3.054 5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.117 -0.272 6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.238 -1.266 7.490 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.265 -3.841 7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.047 -0.281 7.380 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.622 -4.958 8.845 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.935 -1.395 8.489 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.726 -3.736 9.225 1.00 0.00 H new ATOM 394 N HIS A 28 -4.009 -2.937 5.006 1.00 0.00 N ATOM 395 CA HIS A 28 -5.452 -2.923 4.800 1.00 0.00 C ATOM 396 C HIS A 28 -6.168 -3.674 5.919 1.00 0.00 C ATOM 397 O HIS A 28 -7.261 -4.203 5.724 1.00 0.00 O ATOM 398 CB HIS A 28 -5.802 -3.546 3.448 1.00 0.00 C ATOM 399 CG HIS A 28 -7.204 -3.263 3.003 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.742 -1.994 2.969 1.00 0.00 N ATOM 401 CD2 HIS A 28 -8.180 -4.095 2.570 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.989 -2.058 2.537 1.00 0.00 C ATOM 403 NE2 HIS A 28 -9.279 -3.322 2.287 1.00 0.00 N ATOM 0 H HIS A 28 -3.575 -3.853 4.888 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.785 -1.885 4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.108 -3.173 2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.659 -4.625 3.506 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.108 -5.168 2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.657 -1.219 2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.174 -3.668 1.940 1.00 0.00 H new ATOM 412 N GLY A 29 -5.543 -3.715 7.091 1.00 0.00 N ATOM 413 CA GLY A 29 -6.134 -4.404 8.224 1.00 0.00 C ATOM 414 C GLY A 29 -5.109 -5.170 9.036 1.00 0.00 C ATOM 415 O GLY A 29 -3.922 -4.845 9.042 1.00 0.00 O ATOM 0 H GLY A 29 -4.638 -3.283 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.633 -3.679 8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.899 -5.093 7.867 1.00 0.00 H new ATOM 419 N PRO A 30 -5.569 -6.213 9.744 1.00 0.00 N ATOM 420 CA PRO A 30 -4.700 -7.048 10.579 1.00 0.00 C ATOM 421 C PRO A 30 -3.749 -7.904 9.750 1.00 0.00 C ATOM 422 O PRO A 30 -2.994 -8.713 10.291 1.00 0.00 O ATOM 423 CB PRO A 30 -5.687 -7.932 11.344 1.00 0.00 C ATOM 424 CG PRO A 30 -6.896 -7.989 10.477 1.00 0.00 C ATOM 425 CD PRO A 30 -6.972 -6.657 9.784 1.00 0.00 C ATOM 0 HA PRO A 30 -4.055 -6.450 11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.276 -8.927 11.516 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.921 -7.510 12.322 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.820 -8.801 9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.793 -8.172 11.069 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.393 -6.748 8.783 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.600 -5.954 10.331 1.00 0.00 H new ATOM 433 N LEU A 31 -3.790 -7.721 8.434 1.00 0.00 N ATOM 434 CA LEU A 31 -2.931 -8.477 7.530 1.00 0.00 C ATOM 435 C LEU A 31 -2.361 -7.576 6.439 1.00 0.00 C ATOM 436 O LEU A 31 -3.009 -6.622 6.006 1.00 0.00 O ATOM 437 CB LEU A 31 -3.712 -9.631 6.898 1.00 0.00 C ATOM 438 CG LEU A 31 -4.214 -10.708 7.860 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.502 -11.329 7.341 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.150 -11.776 8.067 1.00 0.00 C ATOM 0 H LEU A 31 -4.409 -7.056 7.970 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.102 -8.882 8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.570 -9.216 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.077 -10.107 6.151 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.423 -10.240 8.822 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.844 -12.093 8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.265 -10.557 7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.320 -11.782 6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.525 -12.534 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.910 -12.240 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.253 -11.319 8.484 1.00 0.00 H new ATOM 452 N LEU A 32 -1.147 -7.885 5.997 1.00 0.00 N ATOM 453 CA LEU A 32 -0.490 -7.104 4.955 1.00 0.00 C ATOM 454 C LEU A 32 -0.883 -7.607 3.569 1.00 0.00 C ATOM 455 O LEU A 32 -1.013 -8.811 3.348 1.00 0.00 O ATOM 456 CB LEU A 32 1.029 -7.170 5.122 1.00 0.00 C ATOM 457 CG LEU A 32 1.655 -6.085 5.999 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.139 -6.352 6.199 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.437 -4.710 5.384 1.00 0.00 C ATOM 0 H LEU A 32 -0.598 -8.671 6.344 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.815 -6.068 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.286 -8.142 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.486 -7.119 4.134 1.00 0.00 H new ATOM 0 HG LEU A 32 1.168 -6.106 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.568 -5.570 6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.273 -7.319 6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.641 -6.358 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.889 -3.950 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.897 -4.676 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.368 -4.518 5.293 1.00 0.00 H new ATOM 471 N TYR A 33 -1.070 -6.676 2.639 1.00 0.00 N ATOM 472 CA TYR A 33 -1.448 -7.025 1.275 1.00 0.00 C ATOM 473 C TYR A 33 -0.456 -6.447 0.270 1.00 0.00 C ATOM 474 O TYR A 33 -0.017 -5.305 0.402 1.00 0.00 O ATOM 475 CB TYR A 33 -2.857 -6.515 0.968 1.00 0.00 C ATOM 476 CG TYR A 33 -3.914 -7.055 1.904 1.00 0.00 C ATOM 477 CD1 TYR A 33 -4.049 -6.556 3.194 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.778 -8.065 1.499 1.00 0.00 C ATOM 479 CE1 TYR A 33 -5.013 -7.048 4.053 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.746 -8.562 2.350 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.859 -8.050 3.626 1.00 0.00 C ATOM 482 OH TYR A 33 -6.822 -8.542 4.478 1.00 0.00 O ATOM 0 H TYR A 33 -0.966 -5.675 2.805 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.435 -8.111 1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.860 -5.426 1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.117 -6.786 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.389 -5.770 3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.691 -8.469 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.103 -6.650 5.053 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.410 -9.346 2.018 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.334 -9.242 4.023 1.00 0.00 H new ATOM 492 N GLU A 34 -0.108 -7.246 -0.734 1.00 0.00 N ATOM 493 CA GLU A 34 0.832 -6.814 -1.762 1.00 0.00 C ATOM 494 C GLU A 34 0.248 -5.673 -2.590 1.00 0.00 C ATOM 495 O GLU A 34 -0.896 -5.740 -3.037 1.00 0.00 O ATOM 496 CB GLU A 34 1.198 -7.987 -2.675 1.00 0.00 C ATOM 497 CG GLU A 34 2.210 -7.628 -3.750 1.00 0.00 C ATOM 498 CD GLU A 34 2.360 -8.716 -4.795 1.00 0.00 C ATOM 499 OE1 GLU A 34 2.524 -9.892 -4.408 1.00 0.00 O ATOM 500 OE2 GLU A 34 2.314 -8.392 -6.000 1.00 0.00 O ATOM 0 H GLU A 34 -0.462 -8.195 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 34 1.733 -6.454 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.598 -8.798 -2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.292 -8.362 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.905 -6.702 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.178 -7.440 -3.285 1.00 0.00 H new ATOM 507 N ALA A 35 1.043 -4.627 -2.788 1.00 0.00 N ATOM 508 CA ALA A 35 0.606 -3.472 -3.563 1.00 0.00 C ATOM 509 C ALA A 35 1.799 -2.683 -4.093 1.00 0.00 C ATOM 510 O ALA A 35 2.951 -3.048 -3.858 1.00 0.00 O ATOM 511 CB ALA A 35 -0.287 -2.577 -2.718 1.00 0.00 C ATOM 0 H ALA A 35 1.993 -4.555 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 35 0.035 -3.834 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.606 -1.719 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.162 -3.139 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.266 -2.231 -1.845 1.00 0.00 H new ATOM 517 N LYS A 36 1.515 -1.601 -4.810 1.00 0.00 N ATOM 518 CA LYS A 36 2.564 -0.760 -5.373 1.00 0.00 C ATOM 519 C LYS A 36 2.165 0.712 -5.327 1.00 0.00 C ATOM 520 O LYS A 36 0.987 1.049 -5.450 1.00 0.00 O ATOM 521 CB LYS A 36 2.859 -1.174 -6.817 1.00 0.00 C ATOM 522 CG LYS A 36 3.743 -0.191 -7.563 1.00 0.00 C ATOM 523 CD LYS A 36 2.920 0.851 -8.302 1.00 0.00 C ATOM 524 CE LYS A 36 2.353 0.296 -9.600 1.00 0.00 C ATOM 525 NZ LYS A 36 3.320 -0.605 -10.286 1.00 0.00 N ATOM 0 H LYS A 36 0.567 -1.286 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 36 3.463 -0.894 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.340 -2.152 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.917 -1.283 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.412 0.305 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.370 -0.731 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.105 1.192 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.541 1.721 -8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.433 -0.250 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.090 1.120 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.072 -0.678 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.281 -0.218 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.284 -1.549 -9.851 1.00 0.00 H new ATOM 539 N CYS A 37 3.152 1.583 -5.151 1.00 0.00 N ATOM 540 CA CYS A 37 2.903 3.018 -5.089 1.00 0.00 C ATOM 541 C CYS A 37 2.344 3.531 -6.412 1.00 0.00 C ATOM 542 O CYS A 37 3.034 3.531 -7.432 1.00 0.00 O ATOM 543 CB CYS A 37 4.192 3.766 -4.743 1.00 0.00 C ATOM 544 SG CYS A 37 3.939 5.493 -4.270 1.00 0.00 S ATOM 0 H CYS A 37 4.132 1.320 -5.049 1.00 0.00 H new ATOM 0 HA CYS A 37 2.164 3.200 -4.308 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.693 3.246 -3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.862 3.730 -5.602 1.00 0.00 H new ATOM 0 HG CYS A 37 5.086 6.040 -3.994 1.00 0.00 H new ATOM 550 N VAL A 38 1.088 3.965 -6.389 1.00 0.00 N ATOM 551 CA VAL A 38 0.435 4.480 -7.587 1.00 0.00 C ATOM 552 C VAL A 38 0.618 5.988 -7.708 1.00 0.00 C ATOM 553 O VAL A 38 0.865 6.510 -8.796 1.00 0.00 O ATOM 554 CB VAL A 38 -1.071 4.155 -7.588 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.672 4.414 -8.961 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.305 2.715 -7.158 1.00 0.00 C ATOM 0 H VAL A 38 0.502 3.970 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 38 0.906 3.991 -8.440 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.567 4.810 -6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.736 4.179 -8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.537 5.463 -9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.175 3.786 -9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.374 2.503 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.797 2.042 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.912 2.567 -6.152 1.00 0.00 H new ATOM 566 N LYS A 39 0.498 6.686 -6.583 1.00 0.00 N ATOM 567 CA LYS A 39 0.652 8.135 -6.561 1.00 0.00 C ATOM 568 C LYS A 39 1.268 8.597 -5.245 1.00 0.00 C ATOM 569 O LYS A 39 1.280 7.858 -4.260 1.00 0.00 O ATOM 570 CB LYS A 39 -0.703 8.816 -6.769 1.00 0.00 C ATOM 571 CG LYS A 39 -1.267 8.634 -8.167 1.00 0.00 C ATOM 572 CD LYS A 39 -2.539 9.442 -8.365 1.00 0.00 C ATOM 573 CE LYS A 39 -3.774 8.640 -7.985 1.00 0.00 C ATOM 574 NZ LYS A 39 -5.015 9.459 -8.067 1.00 0.00 N ATOM 0 H LYS A 39 0.294 6.270 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 39 1.322 8.416 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.415 8.419 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.600 9.882 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.523 8.939 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.475 7.578 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.493 10.349 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.614 9.755 -9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.864 7.777 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.659 8.255 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.834 8.876 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.940 10.268 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.139 9.805 -9.040 1.00 0.00 H new ATOM 588 N VAL A 40 1.778 9.824 -5.233 1.00 0.00 N ATOM 589 CA VAL A 40 2.394 10.386 -4.036 1.00 0.00 C ATOM 590 C VAL A 40 1.945 11.825 -3.811 1.00 0.00 C ATOM 591 O VAL A 40 2.391 12.740 -4.503 1.00 0.00 O ATOM 592 CB VAL A 40 3.931 10.346 -4.125 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.554 10.868 -2.839 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.411 8.934 -4.425 1.00 0.00 C ATOM 0 H VAL A 40 1.777 10.449 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 40 2.070 9.773 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 40 4.247 10.994 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.640 10.832 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.236 11.897 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.232 10.249 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.499 8.925 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.085 8.262 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.993 8.602 -5.375 1.00 0.00 H new ATOM 604 N ALA A 41 1.061 12.018 -2.838 1.00 0.00 N ATOM 605 CA ALA A 41 0.553 13.347 -2.520 1.00 0.00 C ATOM 606 C ALA A 41 0.888 13.732 -1.082 1.00 0.00 C ATOM 607 O ALA A 41 1.278 12.885 -0.278 1.00 0.00 O ATOM 608 CB ALA A 41 -0.950 13.407 -2.748 1.00 0.00 C ATOM 0 H ALA A 41 0.682 11.271 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 41 1.038 14.063 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.315 14.405 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.169 13.183 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.444 12.675 -2.109 1.00 0.00 H new ATOM 614 N ILE A 42 0.733 15.013 -0.767 1.00 0.00 N ATOM 615 CA ILE A 42 1.018 15.509 0.574 1.00 0.00 C ATOM 616 C ILE A 42 -0.031 16.522 1.020 1.00 0.00 C ATOM 617 O ILE A 42 -0.159 17.598 0.436 1.00 0.00 O ATOM 618 CB ILE A 42 2.410 16.163 0.648 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.486 15.179 0.182 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.698 16.639 2.064 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.807 15.838 -0.146 1.00 0.00 C ATOM 0 H ILE A 42 0.412 15.726 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 42 0.994 14.647 1.241 1.00 0.00 H new ATOM 0 HB ILE A 42 2.424 17.028 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.645 14.432 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.125 14.649 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.686 17.099 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.946 17.370 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.669 15.790 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.521 15.081 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.662 16.565 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.191 16.344 0.740 1.00 0.00 H new ATOM 633 N LYS A 43 -0.779 16.171 2.060 1.00 0.00 N ATOM 634 CA LYS A 43 -1.816 17.049 2.589 1.00 0.00 C ATOM 635 C LYS A 43 -1.998 16.836 4.088 1.00 0.00 C ATOM 636 O LYS A 43 -1.435 15.905 4.665 1.00 0.00 O ATOM 637 CB LYS A 43 -3.141 16.803 1.863 1.00 0.00 C ATOM 638 CG LYS A 43 -3.201 17.423 0.478 1.00 0.00 C ATOM 639 CD LYS A 43 -4.356 16.864 -0.334 1.00 0.00 C ATOM 640 CE LYS A 43 -5.688 17.439 0.123 1.00 0.00 C ATOM 641 NZ LYS A 43 -5.824 18.877 -0.237 1.00 0.00 N ATOM 0 H LYS A 43 -0.686 15.283 2.554 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.503 18.080 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.305 15.729 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.956 17.203 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.307 18.504 0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.263 17.237 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.204 17.090 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.376 15.778 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.502 16.873 -0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.782 17.325 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.822 19.161 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.249 19.453 0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.496 19.023 -1.213 1.00 0.00 H new ATOM 655 N ASP A 44 -2.788 17.701 4.713 1.00 0.00 N ATOM 656 CA ASP A 44 -3.047 17.606 6.145 1.00 0.00 C ATOM 657 C ASP A 44 -1.750 17.386 6.917 1.00 0.00 C ATOM 658 O ASP A 44 -1.735 16.718 7.951 1.00 0.00 O ATOM 659 CB ASP A 44 -4.026 16.467 6.433 1.00 0.00 C ATOM 660 CG ASP A 44 -4.868 16.726 7.666 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.497 17.802 7.739 1.00 0.00 O ATOM 662 OD2 ASP A 44 -4.899 15.853 8.559 1.00 0.00 O ATOM 0 H ASP A 44 -3.261 18.477 4.250 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.490 18.546 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.680 16.328 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.470 15.539 6.564 1.00 0.00 H new ATOM 667 N LYS A 45 -0.661 17.953 6.409 1.00 0.00 N ATOM 668 CA LYS A 45 0.642 17.820 7.050 1.00 0.00 C ATOM 669 C LYS A 45 1.061 16.356 7.133 1.00 0.00 C ATOM 670 O LYS A 45 1.640 15.922 8.129 1.00 0.00 O ATOM 671 CB LYS A 45 0.608 18.432 8.452 1.00 0.00 C ATOM 672 CG LYS A 45 0.221 19.901 8.465 1.00 0.00 C ATOM 673 CD LYS A 45 1.327 20.775 7.898 1.00 0.00 C ATOM 674 CE LYS A 45 0.770 22.049 7.283 1.00 0.00 C ATOM 675 NZ LYS A 45 0.517 23.097 8.311 1.00 0.00 N ATOM 0 H LYS A 45 -0.655 18.510 5.554 1.00 0.00 H new ATOM 0 HA LYS A 45 1.373 18.355 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.098 17.873 9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.590 18.319 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.690 20.043 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.001 20.211 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.032 21.030 8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.882 20.218 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.471 22.430 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.158 21.823 6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.138 23.950 7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.171 22.743 9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.408 23.331 8.794 1.00 0.00 H new ATOM 689 N GLN A 46 0.766 15.600 6.080 1.00 0.00 N ATOM 690 CA GLN A 46 1.113 14.184 6.035 1.00 0.00 C ATOM 691 C GLN A 46 1.300 13.715 4.596 1.00 0.00 C ATOM 692 O GLN A 46 0.589 14.153 3.692 1.00 0.00 O ATOM 693 CB GLN A 46 0.030 13.350 6.719 1.00 0.00 C ATOM 694 CG GLN A 46 -1.125 12.981 5.801 1.00 0.00 C ATOM 695 CD GLN A 46 -2.070 11.975 6.428 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.739 10.798 6.568 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.256 12.436 6.810 1.00 0.00 N ATOM 0 H GLN A 46 0.288 15.944 5.247 1.00 0.00 H new ATOM 0 HA GLN A 46 2.055 14.050 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.479 12.437 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.359 13.905 7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.680 13.882 5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.729 12.572 4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.488 13.420 6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.934 11.806 7.239 1.00 0.00 H new ATOM 706 N VAL A 47 2.263 12.822 4.390 1.00 0.00 N ATOM 707 CA VAL A 47 2.543 12.293 3.061 1.00 0.00 C ATOM 708 C VAL A 47 1.733 11.030 2.790 1.00 0.00 C ATOM 709 O VAL A 47 1.867 10.030 3.495 1.00 0.00 O ATOM 710 CB VAL A 47 4.041 11.976 2.887 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.354 11.657 1.433 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.891 13.136 3.383 1.00 0.00 C ATOM 0 H VAL A 47 2.862 12.450 5.127 1.00 0.00 H new ATOM 0 HA VAL A 47 2.257 13.065 2.347 1.00 0.00 H new ATOM 0 HB VAL A 47 4.281 11.097 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.416 11.436 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.771 10.792 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.100 12.514 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.946 12.896 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.650 14.033 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.686 13.311 4.439 1.00 0.00 H new ATOM 722 N LYS A 48 0.892 11.082 1.763 1.00 0.00 N ATOM 723 CA LYS A 48 0.060 9.943 1.396 1.00 0.00 C ATOM 724 C LYS A 48 0.528 9.329 0.080 1.00 0.00 C ATOM 725 O LYS A 48 1.275 9.951 -0.675 1.00 0.00 O ATOM 726 CB LYS A 48 -1.405 10.371 1.279 1.00 0.00 C ATOM 727 CG LYS A 48 -2.094 10.551 2.620 1.00 0.00 C ATOM 728 CD LYS A 48 -2.742 9.259 3.092 1.00 0.00 C ATOM 729 CE LYS A 48 -3.949 9.532 3.976 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.311 8.347 4.802 1.00 0.00 N ATOM 0 H LYS A 48 0.769 11.902 1.169 1.00 0.00 H new ATOM 0 HA LYS A 48 0.151 9.191 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.458 11.308 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.948 9.625 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.368 10.887 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.851 11.331 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.048 8.668 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.013 8.665 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.737 10.379 4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.798 9.814 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.330 8.366 5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.080 7.477 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.776 8.369 5.694 1.00 0.00 H new ATOM 744 N TYR A 49 0.081 8.107 -0.189 1.00 0.00 N ATOM 745 CA TYR A 49 0.455 7.410 -1.414 1.00 0.00 C ATOM 746 C TYR A 49 -0.682 6.516 -1.901 1.00 0.00 C ATOM 747 O TYR A 49 -1.148 5.635 -1.178 1.00 0.00 O ATOM 748 CB TYR A 49 1.714 6.572 -1.185 1.00 0.00 C ATOM 749 CG TYR A 49 2.776 7.283 -0.376 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.545 7.644 0.945 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.010 7.593 -0.934 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.512 8.295 1.687 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.983 8.242 -0.199 1.00 0.00 C ATOM 754 CZ TYR A 49 4.729 8.591 1.111 1.00 0.00 C ATOM 755 OH TYR A 49 5.695 9.238 1.847 1.00 0.00 O ATOM 0 H TYR A 49 -0.540 7.579 0.424 1.00 0.00 H new ATOM 0 HA TYR A 49 0.659 8.159 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.438 5.649 -0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.133 6.290 -2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.593 7.412 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.212 7.322 -1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.315 8.570 2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.937 8.475 -0.648 1.00 0.00 H new ATOM 0 HH TYR A 49 6.551 8.772 1.745 1.00 0.00 H new ATOM 765 N PHE A 50 -1.124 6.751 -3.132 1.00 0.00 N ATOM 766 CA PHE A 50 -2.206 5.968 -3.717 1.00 0.00 C ATOM 767 C PHE A 50 -1.784 4.515 -3.911 1.00 0.00 C ATOM 768 O PHE A 50 -1.039 4.192 -4.837 1.00 0.00 O ATOM 769 CB PHE A 50 -2.632 6.571 -5.058 1.00 0.00 C ATOM 770 CG PHE A 50 -3.843 5.911 -5.654 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.920 5.560 -4.856 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.904 5.643 -7.012 1.00 0.00 C ATOM 773 CE1 PHE A 50 -6.035 4.952 -5.402 1.00 0.00 C ATOM 774 CE2 PHE A 50 -5.016 5.036 -7.564 1.00 0.00 C ATOM 775 CZ PHE A 50 -6.084 4.691 -6.758 1.00 0.00 C ATOM 0 H PHE A 50 -0.750 7.477 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.052 5.993 -3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.837 7.633 -4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.803 6.494 -5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.888 5.764 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.073 5.912 -7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.867 4.681 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.050 4.832 -8.624 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.955 4.218 -7.187 1.00 0.00 H new ATOM 785 N ILE A 51 -2.265 3.643 -3.031 1.00 0.00 N ATOM 786 CA ILE A 51 -1.939 2.225 -3.105 1.00 0.00 C ATOM 787 C ILE A 51 -2.842 1.504 -4.100 1.00 0.00 C ATOM 788 O ILE A 51 -3.977 1.918 -4.337 1.00 0.00 O ATOM 789 CB ILE A 51 -2.065 1.546 -1.728 1.00 0.00 C ATOM 790 CG1 ILE A 51 -1.097 2.183 -0.730 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.804 0.052 -1.849 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.339 2.195 -1.205 1.00 0.00 C ATOM 0 H ILE A 51 -2.882 3.894 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.905 2.156 -3.442 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.081 1.689 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.414 3.207 -0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.154 1.643 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.897 -0.414 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.530 -0.390 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.798 -0.111 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.969 2.661 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.674 1.172 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.410 2.760 -2.134 1.00 0.00 H new ATOM 804 N HIS A 52 -2.331 0.421 -4.678 1.00 0.00 N ATOM 805 CA HIS A 52 -3.093 -0.360 -5.646 1.00 0.00 C ATOM 806 C HIS A 52 -3.083 -1.840 -5.277 1.00 0.00 C ATOM 807 O HIS A 52 -2.179 -2.581 -5.665 1.00 0.00 O ATOM 808 CB HIS A 52 -2.520 -0.168 -7.051 1.00 0.00 C ATOM 809 CG HIS A 52 -2.875 -1.273 -7.998 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.136 -1.432 -8.530 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.123 -2.276 -8.508 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.146 -2.486 -9.326 1.00 0.00 C ATOM 813 NE2 HIS A 52 -2.936 -3.016 -9.331 1.00 0.00 N ATOM 0 H HIS A 52 -1.393 0.065 -4.493 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.124 -0.007 -5.631 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.882 0.777 -7.456 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.435 -0.092 -6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.078 -2.460 -8.305 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.998 -2.852 -9.879 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.652 -3.841 -9.860 1.00 0.00 H new ATOM 822 N TYR A 53 -4.093 -2.265 -4.527 1.00 0.00 N ATOM 823 CA TYR A 53 -4.199 -3.656 -4.103 1.00 0.00 C ATOM 824 C TYR A 53 -4.151 -4.596 -5.304 1.00 0.00 C ATOM 825 O TYR A 53 -5.096 -4.666 -6.090 1.00 0.00 O ATOM 826 CB TYR A 53 -5.496 -3.875 -3.321 1.00 0.00 C ATOM 827 CG TYR A 53 -5.579 -3.064 -2.048 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.590 -3.156 -1.077 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.648 -2.207 -1.816 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.663 -2.417 0.088 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.728 -1.464 -0.655 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.733 -1.572 0.295 1.00 0.00 C ATOM 833 OH TYR A 53 -5.810 -0.834 1.454 1.00 0.00 O ATOM 0 H TYR A 53 -4.851 -1.666 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.350 -3.878 -3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.343 -3.622 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.588 -4.933 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.750 -3.816 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.430 -2.121 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.886 -2.501 0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.565 -0.802 -0.491 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.654 -1.030 1.911 1.00 0.00 H new ATOM 843 N SER A 54 -3.043 -5.318 -5.438 1.00 0.00 N ATOM 844 CA SER A 54 -2.868 -6.252 -6.544 1.00 0.00 C ATOM 845 C SER A 54 -4.192 -6.918 -6.907 1.00 0.00 C ATOM 846 O SER A 54 -4.714 -7.739 -6.154 1.00 0.00 O ATOM 847 CB SER A 54 -1.832 -7.317 -6.180 1.00 0.00 C ATOM 848 OG SER A 54 -1.455 -8.071 -7.319 1.00 0.00 O ATOM 0 H SER A 54 -2.253 -5.274 -4.794 1.00 0.00 H new ATOM 0 HA SER A 54 -2.514 -5.691 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.952 -6.840 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.241 -7.982 -5.419 1.00 0.00 H new ATOM 0 HG SER A 54 -0.791 -8.744 -7.061 1.00 0.00 H new ATOM 854 N GLY A 55 -4.731 -6.556 -8.068 1.00 0.00 N ATOM 855 CA GLY A 55 -5.989 -7.127 -8.512 1.00 0.00 C ATOM 856 C GLY A 55 -6.645 -6.305 -9.604 1.00 0.00 C ATOM 857 O GLY A 55 -6.392 -5.107 -9.724 1.00 0.00 O ATOM 0 H GLY A 55 -4.319 -5.878 -8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.816 -8.139 -8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.668 -7.206 -7.663 1.00 0.00 H new ATOM 861 N TRP A 56 -7.488 -6.951 -10.401 1.00 0.00 N ATOM 862 CA TRP A 56 -8.181 -6.272 -11.490 1.00 0.00 C ATOM 863 C TRP A 56 -9.316 -5.405 -10.957 1.00 0.00 C ATOM 864 O TRP A 56 -9.869 -4.578 -11.679 1.00 0.00 O ATOM 865 CB TRP A 56 -8.728 -7.293 -12.489 1.00 0.00 C ATOM 866 CG TRP A 56 -7.674 -7.877 -13.380 1.00 0.00 C ATOM 867 CD1 TRP A 56 -6.769 -8.845 -13.052 1.00 0.00 C ATOM 868 CD2 TRP A 56 -7.415 -7.528 -14.744 1.00 0.00 C ATOM 869 NE1 TRP A 56 -5.962 -9.119 -14.131 1.00 0.00 N ATOM 870 CE2 TRP A 56 -6.339 -8.325 -15.181 1.00 0.00 C ATOM 871 CE3 TRP A 56 -7.989 -6.621 -15.640 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -5.827 -8.240 -16.473 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -7.479 -6.538 -16.921 1.00 0.00 C ATOM 874 CH2 TRP A 56 -6.408 -7.344 -17.329 1.00 0.00 C ATOM 0 H TRP A 56 -7.708 -7.943 -10.314 1.00 0.00 H new ATOM 0 HA TRP A 56 -7.464 -5.626 -11.997 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.218 -8.098 -11.942 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.490 -6.816 -13.105 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.697 -9.325 -12.087 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.205 -9.803 -14.147 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.816 -5.997 -15.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.000 -8.859 -16.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.914 -5.839 -17.621 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.034 -7.257 -18.338 1.00 0.00 H new ATOM 885 N ASN A 57 -9.658 -5.601 -9.687 1.00 0.00 N ATOM 886 CA ASN A 57 -10.728 -4.836 -9.057 1.00 0.00 C ATOM 887 C ASN A 57 -10.309 -3.384 -8.848 1.00 0.00 C ATOM 888 O ASN A 57 -10.923 -2.465 -9.389 1.00 0.00 O ATOM 889 CB ASN A 57 -11.112 -5.466 -7.717 1.00 0.00 C ATOM 890 CG ASN A 57 -11.393 -6.952 -7.835 1.00 0.00 C ATOM 891 OD1 ASN A 57 -12.239 -7.374 -8.624 1.00 0.00 O ATOM 892 ND2 ASN A 57 -10.682 -7.752 -7.050 1.00 0.00 N ATOM 0 H ASN A 57 -9.210 -6.283 -9.075 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.593 -4.854 -9.720 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.306 -5.307 -7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.994 -4.963 -7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.826 -8.761 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.991 -7.358 -6.411 1.00 0.00 H new ATOM 899 N LYS A 58 -9.258 -3.185 -8.060 1.00 0.00 N ATOM 900 CA LYS A 58 -8.754 -1.846 -7.780 1.00 0.00 C ATOM 901 C LYS A 58 -9.902 -0.857 -7.612 1.00 0.00 C ATOM 902 O LYS A 58 -9.778 0.317 -7.959 1.00 0.00 O ATOM 903 CB LYS A 58 -7.827 -1.382 -8.906 1.00 0.00 C ATOM 904 CG LYS A 58 -8.545 -1.129 -10.220 1.00 0.00 C ATOM 905 CD LYS A 58 -7.855 -0.048 -11.034 1.00 0.00 C ATOM 906 CE LYS A 58 -6.669 -0.604 -11.807 1.00 0.00 C ATOM 907 NZ LYS A 58 -5.965 0.457 -12.580 1.00 0.00 N ATOM 0 H LYS A 58 -8.738 -3.935 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.191 -1.884 -6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.322 -0.467 -8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.055 -2.135 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.583 -2.052 -10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.575 -0.834 -10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.568 0.396 -11.729 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.517 0.749 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.971 -1.072 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.012 -1.383 -12.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.163 0.038 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.624 0.887 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.615 1.188 -11.928 1.00 0.00 H new ATOM 921 N ASN A 59 -11.019 -1.338 -7.076 1.00 0.00 N ATOM 922 CA ASN A 59 -12.190 -0.495 -6.862 1.00 0.00 C ATOM 923 C ASN A 59 -12.242 0.006 -5.421 1.00 0.00 C ATOM 924 O ASN A 59 -12.644 1.140 -5.163 1.00 0.00 O ATOM 925 CB ASN A 59 -13.468 -1.268 -7.191 1.00 0.00 C ATOM 926 CG ASN A 59 -13.495 -2.642 -6.551 1.00 0.00 C ATOM 927 OD1 ASN A 59 -12.485 -3.115 -6.028 1.00 0.00 O ATOM 928 ND2 ASN A 59 -14.653 -3.291 -6.589 1.00 0.00 N ATOM 0 H ASN A 59 -11.138 -2.307 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.114 0.366 -7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.332 -0.696 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.558 -1.372 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.731 -4.220 -6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -15.464 -2.861 -7.033 1.00 0.00 H new ATOM 935 N TRP A 60 -11.833 -0.847 -4.489 1.00 0.00 N ATOM 936 CA TRP A 60 -11.833 -0.490 -3.075 1.00 0.00 C ATOM 937 C TRP A 60 -10.496 0.118 -2.667 1.00 0.00 C ATOM 938 O TRP A 60 -10.084 0.017 -1.511 1.00 0.00 O ATOM 939 CB TRP A 60 -12.130 -1.722 -2.217 1.00 0.00 C ATOM 940 CG TRP A 60 -13.371 -2.451 -2.634 1.00 0.00 C ATOM 941 CD1 TRP A 60 -14.588 -1.901 -2.919 1.00 0.00 C ATOM 942 CD2 TRP A 60 -13.516 -3.864 -2.811 1.00 0.00 C ATOM 943 NE1 TRP A 60 -15.481 -2.887 -3.262 1.00 0.00 N ATOM 944 CE2 TRP A 60 -14.848 -4.100 -3.205 1.00 0.00 C ATOM 945 CE3 TRP A 60 -12.650 -4.953 -2.678 1.00 0.00 C ATOM 946 CZ2 TRP A 60 -15.332 -5.380 -3.464 1.00 0.00 C ATOM 947 CZ3 TRP A 60 -13.132 -6.222 -2.935 1.00 0.00 C ATOM 948 CH2 TRP A 60 -14.462 -6.427 -3.325 1.00 0.00 C ATOM 0 H TRP A 60 -11.497 -1.790 -4.686 1.00 0.00 H new ATOM 0 HA TRP A 60 -12.613 0.254 -2.914 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -11.282 -2.405 -2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -12.230 -1.415 -1.176 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -14.815 -0.846 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -16.457 -2.739 -3.518 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -11.623 -4.805 -2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -16.357 -5.540 -3.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -12.472 -7.071 -2.833 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.807 -7.432 -3.520 1.00 0.00 H new ATOM 959 N ASP A 61 -9.822 0.749 -3.622 1.00 0.00 N ATOM 960 CA ASP A 61 -8.531 1.375 -3.361 1.00 0.00 C ATOM 961 C ASP A 61 -8.681 2.547 -2.395 1.00 0.00 C ATOM 962 O ASP A 61 -9.741 3.166 -2.316 1.00 0.00 O ATOM 963 CB ASP A 61 -7.899 1.854 -4.669 1.00 0.00 C ATOM 964 CG ASP A 61 -8.785 2.831 -5.417 1.00 0.00 C ATOM 965 OD1 ASP A 61 -9.443 3.661 -4.755 1.00 0.00 O ATOM 966 OD2 ASP A 61 -8.821 2.766 -6.663 1.00 0.00 O ATOM 0 H ASP A 61 -10.148 0.841 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.880 0.631 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.941 2.328 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.693 0.994 -5.306 1.00 0.00 H new ATOM 971 N GLU A 62 -7.612 2.843 -1.662 1.00 0.00 N ATOM 972 CA GLU A 62 -7.626 3.938 -0.700 1.00 0.00 C ATOM 973 C GLU A 62 -6.232 4.539 -0.539 1.00 0.00 C ATOM 974 O GLU A 62 -5.231 3.910 -0.882 1.00 0.00 O ATOM 975 CB GLU A 62 -8.143 3.450 0.655 1.00 0.00 C ATOM 976 CG GLU A 62 -7.466 2.180 1.143 1.00 0.00 C ATOM 977 CD GLU A 62 -8.190 1.547 2.316 1.00 0.00 C ATOM 978 OE1 GLU A 62 -9.380 1.202 2.162 1.00 0.00 O ATOM 979 OE2 GLU A 62 -7.566 1.397 3.387 1.00 0.00 O ATOM 0 H GLU A 62 -6.726 2.340 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.295 4.711 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.997 4.237 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.216 3.275 0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.413 1.463 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.441 2.408 1.434 1.00 0.00 H new ATOM 986 N TRP A 63 -6.177 5.758 -0.015 1.00 0.00 N ATOM 987 CA TRP A 63 -4.907 6.444 0.192 1.00 0.00 C ATOM 988 C TRP A 63 -4.320 6.103 1.557 1.00 0.00 C ATOM 989 O TRP A 63 -5.046 5.989 2.544 1.00 0.00 O ATOM 990 CB TRP A 63 -5.095 7.957 0.066 1.00 0.00 C ATOM 991 CG TRP A 63 -5.246 8.422 -1.350 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.397 8.449 -2.086 1.00 0.00 C ATOM 993 CD2 TRP A 63 -4.211 8.924 -2.203 1.00 0.00 C ATOM 994 NE1 TRP A 63 -6.139 8.937 -3.344 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.806 9.237 -3.441 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.840 9.141 -2.040 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -4.076 9.754 -4.507 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -2.117 9.654 -3.100 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.736 9.956 -4.321 1.00 0.00 C ATOM 0 H TRP A 63 -6.997 6.292 0.274 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.211 6.107 -0.576 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.976 8.255 0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.240 8.461 0.517 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.367 8.133 -1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.829 9.057 -4.086 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.355 8.912 -1.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.551 9.988 -5.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.057 9.825 -2.986 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -2.143 10.356 -5.130 1.00 0.00 H new ATOM 1010 N VAL A 64 -3.001 5.943 1.606 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.317 5.616 2.851 1.00 0.00 C ATOM 1012 C VAL A 64 -1.082 6.489 3.044 1.00 0.00 C ATOM 1013 O VAL A 64 -0.440 6.921 2.086 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.896 4.135 2.889 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -3.018 3.248 2.371 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.622 3.923 2.084 1.00 0.00 C ATOM 0 H VAL A 64 -2.385 6.035 0.798 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.023 5.805 3.659 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.695 3.858 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.703 2.205 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.903 3.380 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.253 3.522 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.339 2.871 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.793 4.216 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.180 4.530 2.505 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.738 6.756 4.313 1.00 0.00 N ATOM 1027 CA PRO A 65 0.423 7.579 4.663 1.00 0.00 C ATOM 1028 C PRO A 65 1.743 6.882 4.349 1.00 0.00 C ATOM 1029 O PRO A 65 1.776 5.902 3.605 1.00 0.00 O ATOM 1030 CB PRO A 65 0.273 7.782 6.172 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.525 6.612 6.635 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.457 6.273 5.504 1.00 0.00 C ATOM 0 HA PRO A 65 0.449 8.509 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.245 7.818 6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.234 8.721 6.397 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.122 5.768 6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.082 6.853 7.541 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.650 5.202 5.450 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.423 6.766 5.618 1.00 0.00 H new ATOM 1040 N GLU A 66 2.828 7.394 4.920 1.00 0.00 N ATOM 1041 CA GLU A 66 4.150 6.820 4.700 1.00 0.00 C ATOM 1042 C GLU A 66 4.486 5.796 5.781 1.00 0.00 C ATOM 1043 O GLU A 66 5.465 5.059 5.669 1.00 0.00 O ATOM 1044 CB GLU A 66 5.212 7.922 4.678 1.00 0.00 C ATOM 1045 CG GLU A 66 6.587 7.434 4.254 1.00 0.00 C ATOM 1046 CD GLU A 66 7.668 8.474 4.472 1.00 0.00 C ATOM 1047 OE1 GLU A 66 8.149 8.600 5.617 1.00 0.00 O ATOM 1048 OE2 GLU A 66 8.034 9.163 3.496 1.00 0.00 O ATOM 0 H GLU A 66 2.818 8.205 5.538 1.00 0.00 H new ATOM 0 HA GLU A 66 4.142 6.314 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.890 8.711 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.284 8.366 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.837 6.533 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.561 7.158 3.200 1.00 0.00 H new ATOM 1055 N SER A 67 3.667 5.758 6.826 1.00 0.00 N ATOM 1056 CA SER A 67 3.878 4.829 7.930 1.00 0.00 C ATOM 1057 C SER A 67 3.227 3.480 7.637 1.00 0.00 C ATOM 1058 O SER A 67 3.761 2.430 7.993 1.00 0.00 O ATOM 1059 CB SER A 67 3.314 5.409 9.228 1.00 0.00 C ATOM 1060 OG SER A 67 3.561 4.543 10.323 1.00 0.00 O ATOM 0 H SER A 67 2.850 6.360 6.932 1.00 0.00 H new ATOM 0 HA SER A 67 4.951 4.678 8.045 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.765 6.382 9.421 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.241 5.570 9.122 1.00 0.00 H new ATOM 0 HG SER A 67 3.192 4.937 11.141 1.00 0.00 H new ATOM 1066 N ARG A 68 2.069 3.519 6.985 1.00 0.00 N ATOM 1067 CA ARG A 68 1.343 2.301 6.645 1.00 0.00 C ATOM 1068 C ARG A 68 2.071 1.522 5.553 1.00 0.00 C ATOM 1069 O ARG A 68 1.941 0.301 5.456 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.076 2.640 6.185 1.00 0.00 C ATOM 1071 CG ARG A 68 -0.986 3.103 7.311 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.426 2.672 7.076 1.00 0.00 C ATOM 1073 NE ARG A 68 -2.731 1.403 7.731 1.00 0.00 N ATOM 1074 CZ ARG A 68 -2.901 1.275 9.043 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -2.797 2.334 9.834 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -3.176 0.087 9.564 1.00 0.00 N ATOM 0 H ARG A 68 1.614 4.380 6.682 1.00 0.00 H new ATOM 0 HA ARG A 68 1.289 1.678 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.026 3.420 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.515 1.762 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.632 2.694 8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.939 4.189 7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.101 3.443 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.607 2.580 6.005 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.818 0.569 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.586 3.249 9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.928 2.234 10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.257 -0.729 8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.306 -0.010 10.571 1.00 0.00 H new ATOM 1090 N VAL A 69 2.836 2.236 4.733 1.00 0.00 N ATOM 1091 CA VAL A 69 3.584 1.611 3.649 1.00 0.00 C ATOM 1092 C VAL A 69 4.940 1.111 4.134 1.00 0.00 C ATOM 1093 O VAL A 69 5.536 1.685 5.046 1.00 0.00 O ATOM 1094 CB VAL A 69 3.798 2.590 2.479 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.293 1.849 1.246 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.515 3.348 2.176 1.00 0.00 C ATOM 0 H VAL A 69 2.954 3.247 4.799 1.00 0.00 H new ATOM 0 HA VAL A 69 2.992 0.765 3.302 1.00 0.00 H new ATOM 0 HB VAL A 69 4.560 3.314 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.438 2.557 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.239 1.357 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.557 1.101 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.685 4.035 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.730 2.641 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.209 3.912 3.057 1.00 0.00 H new ATOM 1106 N LEU A 70 5.423 0.038 3.518 1.00 0.00 N ATOM 1107 CA LEU A 70 6.711 -0.540 3.886 1.00 0.00 C ATOM 1108 C LEU A 70 7.691 -0.475 2.719 1.00 0.00 C ATOM 1109 O LEU A 70 7.315 -0.136 1.596 1.00 0.00 O ATOM 1110 CB LEU A 70 6.531 -1.992 4.334 1.00 0.00 C ATOM 1111 CG LEU A 70 5.513 -2.227 5.451 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.270 -3.716 5.646 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.987 -1.588 6.748 1.00 0.00 C ATOM 0 H LEU A 70 4.943 -0.449 2.762 1.00 0.00 H new ATOM 0 HA LEU A 70 7.119 0.042 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.234 -2.584 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.498 -2.372 4.664 1.00 0.00 H new ATOM 0 HG LEU A 70 4.571 -1.760 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.543 -3.865 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.886 -4.146 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.207 -4.206 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.250 -1.765 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.941 -2.025 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.110 -0.515 6.601 1.00 0.00 H new ATOM 1125 N LYS A 71 8.949 -0.804 2.990 1.00 0.00 N ATOM 1126 CA LYS A 71 9.984 -0.787 1.963 1.00 0.00 C ATOM 1127 C LYS A 71 10.060 -2.130 1.245 1.00 0.00 C ATOM 1128 O LYS A 71 10.991 -2.384 0.480 1.00 0.00 O ATOM 1129 CB LYS A 71 11.342 -0.450 2.584 1.00 0.00 C ATOM 1130 CG LYS A 71 11.453 0.987 3.061 1.00 0.00 C ATOM 1131 CD LYS A 71 10.718 1.197 4.375 1.00 0.00 C ATOM 1132 CE LYS A 71 11.219 2.435 5.102 1.00 0.00 C ATOM 1133 NZ LYS A 71 12.517 2.187 5.789 1.00 0.00 N ATOM 0 H LYS A 71 9.277 -1.086 3.914 1.00 0.00 H new ATOM 0 HA LYS A 71 9.725 -0.020 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.523 -1.118 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.125 -0.642 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.504 1.250 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.044 1.655 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.649 1.294 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.850 0.322 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.335 3.252 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.476 2.753 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.800 3.039 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.413 1.391 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.245 1.958 5.083 1.00 0.00 H new ATOM 1147 N TYR A 72 9.075 -2.986 1.495 1.00 0.00 N ATOM 1148 CA TYR A 72 9.032 -4.304 0.872 1.00 0.00 C ATOM 1149 C TYR A 72 10.397 -4.982 0.937 1.00 0.00 C ATOM 1150 O TYR A 72 10.884 -5.519 -0.058 1.00 0.00 O ATOM 1151 CB TYR A 72 8.575 -4.189 -0.583 1.00 0.00 C ATOM 1152 CG TYR A 72 7.785 -5.385 -1.066 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.423 -6.567 -1.419 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.401 -5.331 -1.169 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.706 -7.662 -1.861 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.675 -6.421 -1.609 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.332 -7.584 -1.954 1.00 0.00 C ATOM 1158 OH TYR A 72 5.613 -8.672 -2.394 1.00 0.00 O ATOM 0 H TYR A 72 8.296 -2.791 2.124 1.00 0.00 H new ATOM 0 HA TYR A 72 8.317 -4.915 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.965 -3.292 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.450 -4.060 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.499 -6.631 -1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.884 -4.422 -0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.218 -8.573 -2.132 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.599 -6.363 -1.682 1.00 0.00 H new ATOM 0 HH TYR A 72 4.725 -8.667 -1.979 1.00 0.00 H new ATOM 1168 N VAL A 73 11.010 -4.953 2.116 1.00 0.00 N ATOM 1169 CA VAL A 73 12.318 -5.566 2.313 1.00 0.00 C ATOM 1170 C VAL A 73 12.215 -6.816 3.180 1.00 0.00 C ATOM 1171 O VAL A 73 11.218 -7.023 3.871 1.00 0.00 O ATOM 1172 CB VAL A 73 13.307 -4.582 2.965 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.704 -3.492 1.981 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.704 -3.979 4.225 1.00 0.00 C ATOM 0 H VAL A 73 10.622 -4.511 2.949 1.00 0.00 H new ATOM 0 HA VAL A 73 12.689 -5.842 1.326 1.00 0.00 H new ATOM 0 HB VAL A 73 14.207 -5.130 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.403 -2.806 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.178 -3.944 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.816 -2.944 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.416 -3.286 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.789 -3.445 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.475 -4.774 4.935 1.00 0.00 H new ATOM 1184 N ASP A 74 13.252 -7.645 3.139 1.00 0.00 N ATOM 1185 CA ASP A 74 13.280 -8.874 3.923 1.00 0.00 C ATOM 1186 C ASP A 74 12.581 -8.679 5.265 1.00 0.00 C ATOM 1187 O ASP A 74 11.604 -9.361 5.574 1.00 0.00 O ATOM 1188 CB ASP A 74 14.723 -9.329 4.147 1.00 0.00 C ATOM 1189 CG ASP A 74 15.633 -8.955 2.994 1.00 0.00 C ATOM 1190 OD1 ASP A 74 15.326 -9.340 1.847 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.654 -8.277 3.240 1.00 0.00 O ATOM 0 H ASP A 74 14.085 -7.488 2.571 1.00 0.00 H new ATOM 0 HA ASP A 74 12.747 -9.644 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.103 -8.883 5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.743 -10.410 4.286 1.00 0.00 H new ATOM 1196 N THR A 75 13.089 -7.742 6.060 1.00 0.00 N ATOM 1197 CA THR A 75 12.515 -7.458 7.370 1.00 0.00 C ATOM 1198 C THR A 75 11.005 -7.275 7.281 1.00 0.00 C ATOM 1199 O THR A 75 10.246 -7.961 7.964 1.00 0.00 O ATOM 1200 CB THR A 75 13.138 -6.195 7.994 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.540 -6.394 8.205 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.464 -5.856 9.315 1.00 0.00 C ATOM 0 H THR A 75 13.897 -7.167 5.820 1.00 0.00 H new ATOM 0 HA THR A 75 12.737 -8.316 8.005 1.00 0.00 H new ATOM 0 HB THR A 75 12.989 -5.364 7.305 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.929 -5.586 8.600 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.920 -4.961 9.737 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.402 -5.677 9.146 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.586 -6.687 10.009 1.00 0.00 H new ATOM 1210 N ASN A 76 10.575 -6.346 6.433 1.00 0.00 N ATOM 1211 CA ASN A 76 9.153 -6.073 6.255 1.00 0.00 C ATOM 1212 C ASN A 76 8.414 -7.322 5.786 1.00 0.00 C ATOM 1213 O ASN A 76 7.233 -7.507 6.083 1.00 0.00 O ATOM 1214 CB ASN A 76 8.953 -4.940 5.247 1.00 0.00 C ATOM 1215 CG ASN A 76 9.169 -3.571 5.864 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.833 -2.688 5.128 1.00 0.00 O flip ATOM 1217 ND2 ASN A 76 8.743 -3.312 6.990 1.00 0.00 N flip ATOM 0 H ASN A 76 11.190 -5.770 5.859 1.00 0.00 H new ATOM 0 HA ASN A 76 8.743 -5.770 7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.643 -5.073 4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.944 -4.996 4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.238 -4.022 7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.895 -2.387 7.393 1.00 0.00 H new ATOM 1224 N LEU A 77 9.117 -8.178 5.052 1.00 0.00 N ATOM 1225 CA LEU A 77 8.529 -9.412 4.542 1.00 0.00 C ATOM 1226 C LEU A 77 8.315 -10.419 5.667 1.00 0.00 C ATOM 1227 O LEU A 77 7.284 -11.089 5.724 1.00 0.00 O ATOM 1228 CB LEU A 77 9.425 -10.019 3.462 1.00 0.00 C ATOM 1229 CG LEU A 77 9.478 -9.266 2.132 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.592 -9.813 1.252 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.138 -9.355 1.415 1.00 0.00 C ATOM 0 H LEU A 77 10.095 -8.040 4.797 1.00 0.00 H new ATOM 0 HA LEU A 77 7.559 -9.170 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.438 -10.090 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.087 -11.037 3.267 1.00 0.00 H new ATOM 0 HG LEU A 77 9.688 -8.217 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.614 -9.265 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.548 -9.697 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.413 -10.870 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.194 -8.814 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.898 -10.400 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.361 -8.915 2.040 1.00 0.00 H new ATOM 1243 N GLN A 78 9.294 -10.518 6.560 1.00 0.00 N ATOM 1244 CA GLN A 78 9.212 -11.442 7.684 1.00 0.00 C ATOM 1245 C GLN A 78 7.896 -11.269 8.436 1.00 0.00 C ATOM 1246 O GLN A 78 7.474 -12.152 9.183 1.00 0.00 O ATOM 1247 CB GLN A 78 10.389 -11.227 8.637 1.00 0.00 C ATOM 1248 CG GLN A 78 11.732 -11.124 7.931 1.00 0.00 C ATOM 1249 CD GLN A 78 12.879 -11.628 8.783 1.00 0.00 C ATOM 1250 OE1 GLN A 78 13.459 -10.879 9.570 1.00 0.00 O ATOM 1251 NE2 GLN A 78 13.214 -12.904 8.631 1.00 0.00 N ATOM 0 H GLN A 78 10.153 -9.969 6.527 1.00 0.00 H new ATOM 0 HA GLN A 78 9.254 -12.457 7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.219 -10.316 9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.424 -12.051 9.349 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.695 -11.695 7.003 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.916 -10.085 7.658 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.706 -13.489 7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.979 -13.299 9.178 1.00 0.00 H new ATOM 1260 N LYS A 79 7.252 -10.125 8.235 1.00 0.00 N ATOM 1261 CA LYS A 79 5.983 -9.835 8.892 1.00 0.00 C ATOM 1262 C LYS A 79 4.807 -10.198 7.991 1.00 0.00 C ATOM 1263 O LYS A 79 4.000 -11.063 8.329 1.00 0.00 O ATOM 1264 CB LYS A 79 5.909 -8.354 9.272 1.00 0.00 C ATOM 1265 CG LYS A 79 4.533 -7.915 9.744 1.00 0.00 C ATOM 1266 CD LYS A 79 4.434 -6.402 9.841 1.00 0.00 C ATOM 1267 CE LYS A 79 3.442 -5.977 10.914 1.00 0.00 C ATOM 1268 NZ LYS A 79 2.033 -6.155 10.468 1.00 0.00 N ATOM 0 H LYS A 79 7.588 -9.383 7.622 1.00 0.00 H new ATOM 0 HA LYS A 79 5.925 -10.440 9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.635 -8.153 10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.198 -7.752 8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.775 -8.287 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.323 -8.358 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.416 -5.986 10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.128 -5.994 8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.613 -6.561 11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.612 -4.932 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.473 -5.325 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.007 -6.257 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.634 -7.007 10.910 1.00 0.00 H new ATOM 1282 N GLN A 80 4.719 -9.534 6.844 1.00 0.00 N ATOM 1283 CA GLN A 80 3.642 -9.789 5.894 1.00 0.00 C ATOM 1284 C GLN A 80 3.323 -11.279 5.821 1.00 0.00 C ATOM 1285 O GLN A 80 2.181 -11.667 5.577 1.00 0.00 O ATOM 1286 CB GLN A 80 4.022 -9.268 4.507 1.00 0.00 C ATOM 1287 CG GLN A 80 3.076 -9.720 3.407 1.00 0.00 C ATOM 1288 CD GLN A 80 3.757 -9.818 2.056 1.00 0.00 C ATOM 1289 OE1 GLN A 80 4.660 -9.041 1.745 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.326 -10.777 1.244 1.00 0.00 N ATOM 0 H GLN A 80 5.380 -8.815 6.549 1.00 0.00 H new ATOM 0 HA GLN A 80 2.753 -9.262 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.044 -8.178 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.031 -9.602 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.657 -10.691 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.242 -9.021 3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.575 -11.399 1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.746 -10.891 0.322 1.00 0.00 H new ATOM 1299 N ARG A 81 4.340 -12.108 6.032 1.00 0.00 N ATOM 1300 CA ARG A 81 4.168 -13.555 5.987 1.00 0.00 C ATOM 1301 C ARG A 81 3.722 -14.091 7.344 1.00 0.00 C ATOM 1302 O ARG A 81 2.930 -15.030 7.421 1.00 0.00 O ATOM 1303 CB ARG A 81 5.472 -14.232 5.564 1.00 0.00 C ATOM 1304 CG ARG A 81 6.633 -13.962 6.507 1.00 0.00 C ATOM 1305 CD ARG A 81 6.741 -15.036 7.579 1.00 0.00 C ATOM 1306 NE ARG A 81 6.951 -16.362 7.006 1.00 0.00 N ATOM 1307 CZ ARG A 81 7.391 -17.403 7.705 1.00 0.00 C ATOM 1308 NH1 ARG A 81 7.666 -17.272 8.995 1.00 0.00 N ATOM 1309 NH2 ARG A 81 7.556 -18.579 7.112 1.00 0.00 N ATOM 0 H ARG A 81 5.292 -11.802 6.236 1.00 0.00 H new ATOM 0 HA ARG A 81 3.394 -13.781 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.309 -15.308 5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.741 -13.891 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.562 -13.919 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.502 -12.988 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.566 -14.796 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.832 -15.041 8.180 1.00 0.00 H new ATOM 0 HE ARG A 81 6.749 -16.497 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.540 -16.370 9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.004 -18.073 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.345 -18.684 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.894 -19.378 7.649 1.00 0.00 H new ATOM 1323 N GLU A 82 4.236 -13.488 8.412 1.00 0.00 N ATOM 1324 CA GLU A 82 3.891 -13.906 9.765 1.00 0.00 C ATOM 1325 C GLU A 82 2.391 -13.767 10.012 1.00 0.00 C ATOM 1326 O GLU A 82 1.791 -14.569 10.729 1.00 0.00 O ATOM 1327 CB GLU A 82 4.666 -13.079 10.792 1.00 0.00 C ATOM 1328 CG GLU A 82 3.900 -11.871 11.305 1.00 0.00 C ATOM 1329 CD GLU A 82 4.625 -11.153 12.427 1.00 0.00 C ATOM 1330 OE1 GLU A 82 5.141 -11.840 13.333 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.676 -9.906 12.399 1.00 0.00 O ATOM 0 H GLU A 82 4.893 -12.709 8.366 1.00 0.00 H new ATOM 0 HA GLU A 82 4.164 -14.956 9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.929 -13.717 11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.601 -12.742 10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.732 -11.176 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.919 -12.190 11.657 1.00 0.00 H new ATOM 1338 N LEU A 83 1.792 -12.744 9.413 1.00 0.00 N ATOM 1339 CA LEU A 83 0.362 -12.498 9.567 1.00 0.00 C ATOM 1340 C LEU A 83 -0.447 -13.381 8.624 1.00 0.00 C ATOM 1341 O LEU A 83 -1.336 -14.115 9.055 1.00 0.00 O ATOM 1342 CB LEU A 83 0.046 -11.025 9.302 1.00 0.00 C ATOM 1343 CG LEU A 83 1.089 -10.017 9.787 1.00 0.00 C ATOM 1344 CD1 LEU A 83 0.964 -8.709 9.020 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.943 -9.777 11.282 1.00 0.00 C ATOM 0 H LEU A 83 2.274 -12.071 8.816 1.00 0.00 H new ATOM 0 HA LEU A 83 0.085 -12.744 10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.089 -10.890 8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.907 -10.788 9.775 1.00 0.00 H new ATOM 0 HG LEU A 83 2.080 -10.430 9.601 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.714 -8.004 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.119 -8.894 7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.031 -8.290 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.693 -9.057 11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.052 -9.385 11.492 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.083 -10.716 11.817 1.00 0.00 H new ATOM 1357 N GLN A 84 -0.132 -13.307 7.335 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.829 -14.101 6.331 1.00 0.00 C ATOM 1359 C GLN A 84 -0.817 -15.580 6.702 1.00 0.00 C ATOM 1360 O GLN A 84 -1.694 -16.342 6.293 1.00 0.00 O ATOM 1361 CB GLN A 84 -0.187 -13.903 4.957 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.420 -12.521 4.370 1.00 0.00 C ATOM 1363 CD GLN A 84 0.253 -12.337 3.023 1.00 0.00 C ATOM 1364 OE1 GLN A 84 0.609 -13.309 2.357 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.430 -11.086 2.615 1.00 0.00 N ATOM 0 H GLN A 84 0.602 -12.705 6.962 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.865 -13.763 6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.886 -14.078 5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.581 -14.652 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.491 -12.352 4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.047 -11.768 5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.119 -10.310 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.877 -10.901 1.717 1.00 0.00 H new ATOM 1374 N LYS A 85 0.182 -15.982 7.481 1.00 0.00 N ATOM 1375 CA LYS A 85 0.309 -17.369 7.910 1.00 0.00 C ATOM 1376 C LYS A 85 -0.341 -17.579 9.274 1.00 0.00 C ATOM 1377 O LYS A 85 -0.750 -18.689 9.613 1.00 0.00 O ATOM 1378 CB LYS A 85 1.783 -17.774 7.967 1.00 0.00 C ATOM 1379 CG LYS A 85 2.453 -17.446 9.290 1.00 0.00 C ATOM 1380 CD LYS A 85 3.847 -18.045 9.373 1.00 0.00 C ATOM 1381 CE LYS A 85 3.800 -19.515 9.760 1.00 0.00 C ATOM 1382 NZ LYS A 85 5.125 -20.008 10.226 1.00 0.00 N ATOM 0 H LYS A 85 0.916 -15.365 7.828 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.205 -17.997 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.864 -18.845 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.321 -17.272 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.513 -16.364 9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.844 -17.824 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.348 -17.937 8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.438 -17.494 10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.061 -19.660 10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.473 -20.106 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.051 -21.014 10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.825 -19.894 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.426 -19.462 11.058 1.00 0.00 H new ATOM 1396 N ALA A 86 -0.433 -16.505 10.052 1.00 0.00 N ATOM 1397 CA ALA A 86 -1.035 -16.571 11.377 1.00 0.00 C ATOM 1398 C ALA A 86 -2.558 -16.556 11.290 1.00 0.00 C ATOM 1399 O ALA A 86 -3.243 -17.137 12.130 1.00 0.00 O ATOM 1400 CB ALA A 86 -0.543 -15.418 12.239 1.00 0.00 C ATOM 0 H ALA A 86 -0.098 -15.579 9.787 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.733 -17.511 11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.001 -15.480 13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.541 -15.474 12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.816 -14.472 11.771 1.00 0.00 H new ATOM 1406 N ASN A 87 -3.080 -15.887 10.267 1.00 0.00 N ATOM 1407 CA ASN A 87 -4.522 -15.795 10.071 1.00 0.00 C ATOM 1408 C ASN A 87 -4.924 -16.368 8.715 1.00 0.00 C ATOM 1409 O ASN A 87 -5.904 -15.931 8.112 1.00 0.00 O ATOM 1410 CB ASN A 87 -4.981 -14.339 10.179 1.00 0.00 C ATOM 1411 CG ASN A 87 -4.787 -13.774 11.572 1.00 0.00 C ATOM 1412 OD1 ASN A 87 -5.498 -14.140 12.508 1.00 0.00 O ATOM 1413 ND2 ASN A 87 -3.819 -12.875 11.716 1.00 0.00 N ATOM 0 H ASN A 87 -2.526 -15.401 9.562 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.008 -16.380 10.852 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.427 -13.732 9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.034 -14.272 9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.641 -12.459 12.630 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.254 -12.601 10.912 1.00 0.00 H new ATOM 1420 N GLN A 88 -4.161 -17.348 8.243 1.00 0.00 N ATOM 1421 CA GLN A 88 -4.438 -17.980 6.958 1.00 0.00 C ATOM 1422 C GLN A 88 -5.939 -18.043 6.695 1.00 0.00 C ATOM 1423 O GLN A 88 -6.403 -17.692 5.612 1.00 0.00 O ATOM 1424 CB GLN A 88 -3.841 -19.388 6.920 1.00 0.00 C ATOM 1425 CG GLN A 88 -2.328 -19.403 6.774 1.00 0.00 C ATOM 1426 CD GLN A 88 -1.795 -20.761 6.360 1.00 0.00 C ATOM 1427 OE1 GLN A 88 -1.090 -21.423 7.123 1.00 0.00 O ATOM 1428 NE2 GLN A 88 -2.131 -21.184 5.147 1.00 0.00 N ATOM 0 H GLN A 88 -3.347 -17.722 8.730 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.976 -17.376 6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.115 -19.915 7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.283 -19.939 6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.031 -18.659 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.873 -19.111 7.720 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.717 -20.602 4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.803 -22.091 4.814 1.00 0.00 H new ATOM 1437 N GLU A 89 -6.691 -18.495 7.694 1.00 0.00 N ATOM 1438 CA GLU A 89 -8.139 -18.605 7.569 1.00 0.00 C ATOM 1439 C GLU A 89 -8.757 -17.261 7.193 1.00 0.00 C ATOM 1440 O GLU A 89 -9.460 -17.150 6.189 1.00 0.00 O ATOM 1441 CB GLU A 89 -8.750 -19.111 8.878 1.00 0.00 C ATOM 1442 CG GLU A 89 -8.596 -20.609 9.082 1.00 0.00 C ATOM 1443 CD GLU A 89 -7.196 -20.998 9.516 1.00 0.00 C ATOM 1444 OE1 GLU A 89 -6.850 -20.752 10.690 1.00 0.00 O ATOM 1445 OE2 GLU A 89 -6.447 -21.548 8.682 1.00 0.00 O ATOM 0 H GLU A 89 -6.321 -18.790 8.598 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.355 -19.320 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.283 -18.589 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.810 -18.857 8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.311 -20.945 9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.841 -21.125 8.154 1.00 0.00 H new ATOM 1452 N GLN A 90 -8.490 -16.246 8.007 1.00 0.00 N ATOM 1453 CA GLN A 90 -9.020 -14.910 7.761 1.00 0.00 C ATOM 1454 C GLN A 90 -8.630 -14.417 6.371 1.00 0.00 C ATOM 1455 O GLN A 90 -9.491 -14.103 5.549 1.00 0.00 O ATOM 1456 CB GLN A 90 -8.513 -13.933 8.823 1.00 0.00 C ATOM 1457 CG GLN A 90 -9.471 -12.787 9.103 1.00 0.00 C ATOM 1458 CD GLN A 90 -9.002 -11.897 10.237 1.00 0.00 C ATOM 1459 OE1 GLN A 90 -7.811 -11.840 10.544 1.00 0.00 O ATOM 1460 NE2 GLN A 90 -9.938 -11.197 10.867 1.00 0.00 N ATOM 0 H GLN A 90 -7.910 -16.323 8.843 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.107 -14.962 7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.332 -14.478 9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.555 -13.524 8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.588 -12.187 8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.454 -13.191 9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.913 -11.275 10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.682 -10.581 11.639 1.00 0.00 H new ATOM 1469 N TYR A 91 -7.328 -14.351 6.116 1.00 0.00 N ATOM 1470 CA TYR A 91 -6.824 -13.893 4.827 1.00 0.00 C ATOM 1471 C TYR A 91 -7.590 -14.545 3.680 1.00 0.00 C ATOM 1472 O TYR A 91 -8.110 -13.862 2.798 1.00 0.00 O ATOM 1473 CB TYR A 91 -5.332 -14.204 4.700 1.00 0.00 C ATOM 1474 CG TYR A 91 -4.632 -13.389 3.635 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -4.681 -13.768 2.299 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -3.922 -12.242 3.965 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -4.043 -13.027 1.323 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -3.282 -11.495 2.996 1.00 0.00 C ATOM 1479 CZ TYR A 91 -3.345 -11.891 1.676 1.00 0.00 C ATOM 1480 OH TYR A 91 -2.708 -11.150 0.708 1.00 0.00 O ATOM 0 H TYR A 91 -6.603 -14.609 6.785 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.970 -12.814 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.849 -14.023 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.208 -15.263 4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.227 -14.657 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.870 -11.929 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.091 -13.336 0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.735 -10.605 3.270 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.264 -10.382 1.124 1.00 0.00 H new ATOM 1490 N ALA A 92 -7.656 -15.872 3.700 1.00 0.00 N ATOM 1491 CA ALA A 92 -8.361 -16.618 2.664 1.00 0.00 C ATOM 1492 C ALA A 92 -9.831 -16.220 2.605 1.00 0.00 C ATOM 1493 O ALA A 92 -10.270 -15.570 1.657 1.00 0.00 O ATOM 1494 CB ALA A 92 -8.226 -18.114 2.907 1.00 0.00 C ATOM 0 H ALA A 92 -7.230 -16.453 4.422 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.908 -16.375 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.757 -18.659 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.172 -18.392 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.652 -18.365 3.878 1.00 0.00 H new ATOM 1500 N GLU A 93 -10.588 -16.614 3.625 1.00 0.00 N ATOM 1501 CA GLU A 93 -12.010 -16.299 3.686 1.00 0.00 C ATOM 1502 C GLU A 93 -12.665 -16.466 2.318 1.00 0.00 C ATOM 1503 O GLU A 93 -13.581 -15.727 1.961 1.00 0.00 O ATOM 1504 CB GLU A 93 -12.217 -14.869 4.191 1.00 0.00 C ATOM 1505 CG GLU A 93 -12.309 -14.766 5.704 1.00 0.00 C ATOM 1506 CD GLU A 93 -12.168 -13.340 6.201 1.00 0.00 C ATOM 1507 OE1 GLU A 93 -12.590 -12.415 5.476 1.00 0.00 O ATOM 1508 OE2 GLU A 93 -11.635 -13.150 7.314 1.00 0.00 O ATOM 0 H GLU A 93 -10.240 -17.151 4.419 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.480 -16.995 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.393 -14.247 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.129 -14.466 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.266 -15.169 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.531 -15.382 6.154 1.00 0.00 H new ATOM 1515 N GLY A 94 -12.186 -17.444 1.555 1.00 0.00 N ATOM 1516 CA GLY A 94 -12.734 -17.691 0.234 1.00 0.00 C ATOM 1517 C GLY A 94 -11.696 -18.220 -0.736 1.00 0.00 C ATOM 1518 O GLY A 94 -11.874 -19.284 -1.329 1.00 0.00 O ATOM 0 H GLY A 94 -11.428 -18.070 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.552 -18.407 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.156 -16.766 -0.159 1.00 0.00 H new ATOM 1522 N LYS A 95 -10.608 -17.475 -0.899 1.00 0.00 N ATOM 1523 CA LYS A 95 -9.536 -17.873 -1.804 1.00 0.00 C ATOM 1524 C LYS A 95 -8.801 -19.099 -1.270 1.00 0.00 C ATOM 1525 O LYS A 95 -8.031 -19.005 -0.315 1.00 0.00 O ATOM 1526 CB LYS A 95 -8.551 -16.719 -1.999 1.00 0.00 C ATOM 1527 CG LYS A 95 -7.981 -16.179 -0.699 1.00 0.00 C ATOM 1528 CD LYS A 95 -7.185 -14.904 -0.926 1.00 0.00 C ATOM 1529 CE LYS A 95 -8.096 -13.691 -1.037 1.00 0.00 C ATOM 1530 NZ LYS A 95 -7.418 -12.549 -1.711 1.00 0.00 N ATOM 0 H LYS A 95 -10.445 -16.592 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.981 -18.128 -2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.731 -17.056 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.053 -15.910 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.793 -15.982 0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.340 -16.932 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.484 -14.760 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.593 -15.000 -1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.994 -13.960 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.418 -13.386 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.071 -11.742 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.575 -12.275 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.133 -12.832 -2.671 1.00 0.00 H new ATOM 1544 N MET A 96 -9.043 -20.247 -1.895 1.00 0.00 N ATOM 1545 CA MET A 96 -8.401 -21.490 -1.484 1.00 0.00 C ATOM 1546 C MET A 96 -7.037 -21.643 -2.148 1.00 0.00 C ATOM 1547 O MET A 96 -6.938 -21.731 -3.372 1.00 0.00 O ATOM 1548 CB MET A 96 -9.288 -22.686 -1.832 1.00 0.00 C ATOM 1549 CG MET A 96 -8.949 -23.944 -1.048 1.00 0.00 C ATOM 1550 SD MET A 96 -9.437 -23.835 0.684 1.00 0.00 S ATOM 1551 CE MET A 96 -7.897 -24.253 1.497 1.00 0.00 C ATOM 0 H MET A 96 -9.678 -20.342 -2.687 1.00 0.00 H new ATOM 0 HA MET A 96 -8.257 -21.456 -0.404 1.00 0.00 H new ATOM 0 HB2 MET A 96 -10.329 -22.422 -1.646 1.00 0.00 H new ATOM 0 HB3 MET A 96 -9.198 -22.897 -2.898 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.445 -24.799 -1.508 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.876 -24.127 -1.108 1.00 0.00 H new ATOM 0 HE1 MET A 96 -8.038 -24.228 2.578 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.585 -25.253 1.194 1.00 0.00 H new ATOM 0 HE3 MET A 96 -7.129 -23.533 1.215 1.00 0.00 H new ATOM 1561 N ARG A 97 -5.987 -21.674 -1.333 1.00 0.00 N ATOM 1562 CA ARG A 97 -4.628 -21.815 -1.843 1.00 0.00 C ATOM 1563 C ARG A 97 -4.587 -22.784 -3.021 1.00 0.00 C ATOM 1564 O ARG A 97 -4.014 -22.481 -4.067 1.00 0.00 O ATOM 1565 CB ARG A 97 -3.693 -22.303 -0.735 1.00 0.00 C ATOM 1566 CG ARG A 97 -3.051 -21.177 0.060 1.00 0.00 C ATOM 1567 CD ARG A 97 -1.992 -20.453 -0.756 1.00 0.00 C ATOM 1568 NE ARG A 97 -0.677 -21.074 -0.621 1.00 0.00 N ATOM 1569 CZ ARG A 97 0.347 -20.809 -1.424 1.00 0.00 C ATOM 1570 NH1 ARG A 97 0.209 -19.939 -2.414 1.00 0.00 N ATOM 1571 NH2 ARG A 97 1.512 -21.416 -1.237 1.00 0.00 N ATOM 0 H ARG A 97 -6.051 -21.603 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.293 -20.837 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.254 -22.943 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.909 -22.917 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.818 -20.469 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -2.600 -21.581 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.284 -20.448 -1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.936 -19.413 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.537 -21.748 0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.685 -19.471 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.997 -19.737 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.621 -22.087 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.298 -21.212 -1.854 1.00 0.00 H new ATOM 1585 N GLY A 98 -5.199 -23.950 -2.843 1.00 0.00 N ATOM 1586 CA GLY A 98 -5.221 -24.946 -3.899 1.00 0.00 C ATOM 1587 C GLY A 98 -4.735 -26.302 -3.427 1.00 0.00 C ATOM 1588 O GLY A 98 -5.520 -27.112 -2.934 1.00 0.00 O ATOM 0 H GLY A 98 -5.680 -24.223 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.237 -25.041 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.597 -24.608 -4.726 1.00 0.00 H new ATOM 1592 N ALA A 99 -3.439 -26.551 -3.580 1.00 0.00 N ATOM 1593 CA ALA A 99 -2.850 -27.819 -3.165 1.00 0.00 C ATOM 1594 C ALA A 99 -1.995 -27.644 -1.916 1.00 0.00 C ATOM 1595 O ALA A 99 -1.400 -26.587 -1.702 1.00 0.00 O ATOM 1596 CB ALA A 99 -2.022 -28.411 -4.296 1.00 0.00 C ATOM 0 H ALA A 99 -2.776 -25.892 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.661 -28.507 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.588 -29.357 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.660 -28.582 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.224 -27.719 -4.564 1.00 0.00 H new ATOM 1602 N ALA A 100 -1.937 -28.686 -1.093 1.00 0.00 N ATOM 1603 CA ALA A 100 -1.153 -28.647 0.135 1.00 0.00 C ATOM 1604 C ALA A 100 0.284 -29.090 -0.117 1.00 0.00 C ATOM 1605 O ALA A 100 1.102 -29.131 0.803 1.00 0.00 O ATOM 1606 CB ALA A 100 -1.797 -29.521 1.201 1.00 0.00 C ATOM 0 H ALA A 100 -2.424 -29.568 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.131 -27.617 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.201 -29.482 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.803 -29.158 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.849 -30.550 0.845 1.00 0.00 H new TER 1612 ALA A 100