USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 539 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 65 HIS : no HD1:sc= -0.0185 X(o=-0.7,f=-0.68) USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= -0.677 USER MOD Set 2.1: A 34 ASN : amide:sc= -0.0336 K(o=-0.044,f=-0.78) USER MOD Set 2.2: A 59 GLN : amide:sc=-0.00999 K(o=-0.044,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.045 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 29:sc= 0.281 USER MOD Single : A 8 GLN : amide:sc= -0.0349 K(o=-0.035,f=-1.4) USER MOD Single : A 9 HIS : no HD1:sc= -0.0064 X(o=-0.0064,f=-0.14) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 24 HIS : no HD1:sc= -0.303 X(o=-0.3,f=0.068) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -35:sc= -0.152 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.4 F(o=-3.1!,f=-1.4) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-7!) USER MOD Single : A 70 GLN : amide:sc=-0.00253 K(o=-0.0025,f=-0.62) USER MOD Single : A 71 HIS : no HD1:sc= -7.47! C(o=-7.5!,f=-9.9!) USER MOD Single : A 74 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.35) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.561 35.269 -42.291 1.00 0.00 N ATOM 2 CA GLY A 1 -9.824 34.910 -40.910 1.00 0.00 C ATOM 3 C GLY A 1 -9.002 33.721 -40.454 1.00 0.00 C ATOM 4 O GLY A 1 -8.528 32.933 -41.273 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.065 36.182 -42.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.969 34.537 -42.733 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.461 35.345 -42.807 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.609 35.764 -40.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.883 34.682 -40.792 1.00 0.00 H new ATOM 8 N SER A 2 -8.830 33.591 -39.142 1.00 0.00 N ATOM 9 CA SER A 2 -8.054 32.492 -38.578 1.00 0.00 C ATOM 10 C SER A 2 -8.216 32.435 -37.062 1.00 0.00 C ATOM 11 O SER A 2 -8.498 33.446 -36.418 1.00 0.00 O ATOM 12 CB SER A 2 -6.575 32.646 -38.939 1.00 0.00 C ATOM 13 OG SER A 2 -6.039 33.839 -38.394 1.00 0.00 O ATOM 0 H SER A 2 -9.217 34.233 -38.450 1.00 0.00 H new ATOM 0 HA SER A 2 -8.429 31.560 -39.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.015 31.788 -38.566 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.461 32.654 -40.023 1.00 0.00 H new ATOM 0 HG SER A 2 -5.093 33.913 -38.637 1.00 0.00 H new ATOM 19 N SER A 3 -8.034 31.246 -36.498 1.00 0.00 N ATOM 20 CA SER A 3 -8.163 31.054 -35.058 1.00 0.00 C ATOM 21 C SER A 3 -7.535 29.732 -34.627 1.00 0.00 C ATOM 22 O SER A 3 -7.635 28.727 -35.329 1.00 0.00 O ATOM 23 CB SER A 3 -9.637 31.090 -34.648 1.00 0.00 C ATOM 24 OG SER A 3 -9.781 31.502 -33.300 1.00 0.00 O ATOM 0 H SER A 3 -7.797 30.400 -37.016 1.00 0.00 H new ATOM 0 HA SER A 3 -7.634 31.866 -34.559 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.183 31.772 -35.300 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.078 30.102 -34.779 1.00 0.00 H new ATOM 0 HG SER A 3 -10.732 31.519 -33.063 1.00 0.00 H new ATOM 30 N GLY A 4 -6.888 29.743 -33.466 1.00 0.00 N ATOM 31 CA GLY A 4 -6.253 28.540 -32.960 1.00 0.00 C ATOM 32 C GLY A 4 -5.087 28.843 -32.040 1.00 0.00 C ATOM 33 O GLY A 4 -4.048 29.332 -32.483 1.00 0.00 O ATOM 0 H GLY A 4 -6.792 30.563 -32.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.990 27.942 -32.423 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.903 27.937 -33.798 1.00 0.00 H new ATOM 37 N SER A 5 -5.259 28.553 -30.754 1.00 0.00 N ATOM 38 CA SER A 5 -4.215 28.803 -29.767 1.00 0.00 C ATOM 39 C SER A 5 -4.224 27.731 -28.683 1.00 0.00 C ATOM 40 O SER A 5 -5.106 27.708 -27.825 1.00 0.00 O ATOM 41 CB SER A 5 -4.399 30.185 -29.137 1.00 0.00 C ATOM 42 OG SER A 5 -3.264 30.552 -28.373 1.00 0.00 O ATOM 0 H SER A 5 -6.112 28.145 -30.371 1.00 0.00 H new ATOM 0 HA SER A 5 -3.252 28.770 -30.277 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.570 30.925 -29.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.284 30.183 -28.501 1.00 0.00 H new ATOM 0 HG SER A 5 -3.406 31.440 -27.982 1.00 0.00 H new ATOM 48 N SER A 6 -3.236 26.843 -28.728 1.00 0.00 N ATOM 49 CA SER A 6 -3.131 25.765 -27.752 1.00 0.00 C ATOM 50 C SER A 6 -1.730 25.162 -27.757 1.00 0.00 C ATOM 51 O SER A 6 -1.255 24.674 -28.781 1.00 0.00 O ATOM 52 CB SER A 6 -4.167 24.678 -28.048 1.00 0.00 C ATOM 53 OG SER A 6 -4.044 24.206 -29.378 1.00 0.00 O ATOM 0 H SER A 6 -2.496 26.849 -29.430 1.00 0.00 H new ATOM 0 HA SER A 6 -3.324 26.183 -26.764 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.039 23.850 -27.351 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.170 25.075 -27.891 1.00 0.00 H new ATOM 0 HG SER A 6 -3.115 24.304 -29.675 1.00 0.00 H new ATOM 59 N GLY A 7 -1.072 25.200 -26.601 1.00 0.00 N ATOM 60 CA GLY A 7 0.269 24.655 -26.493 1.00 0.00 C ATOM 61 C GLY A 7 0.717 24.499 -25.053 1.00 0.00 C ATOM 62 O GLY A 7 0.804 25.480 -24.315 1.00 0.00 O ATOM 0 H GLY A 7 -1.444 25.598 -25.739 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.305 23.685 -26.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.966 25.307 -27.019 1.00 0.00 H new ATOM 66 N GLN A 8 1.000 23.264 -24.653 1.00 0.00 N ATOM 67 CA GLN A 8 1.438 22.984 -23.291 1.00 0.00 C ATOM 68 C GLN A 8 1.860 21.526 -23.143 1.00 0.00 C ATOM 69 O GLN A 8 1.416 20.661 -23.900 1.00 0.00 O ATOM 70 CB GLN A 8 0.322 23.308 -22.296 1.00 0.00 C ATOM 71 CG GLN A 8 -0.827 22.314 -22.326 1.00 0.00 C ATOM 72 CD GLN A 8 -1.524 22.188 -20.986 1.00 0.00 C ATOM 73 OE1 GLN A 8 -1.279 22.972 -20.069 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.400 21.197 -20.865 1.00 0.00 N ATOM 0 H GLN A 8 0.934 22.441 -25.252 1.00 0.00 H new ATOM 0 HA GLN A 8 2.300 23.616 -23.077 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.741 23.337 -21.290 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.065 24.305 -22.509 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.551 22.624 -23.080 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.450 21.337 -22.628 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.573 20.570 -21.651 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.900 21.063 -19.986 1.00 0.00 H new ATOM 83 N HIS A 9 2.719 21.259 -22.165 1.00 0.00 N ATOM 84 CA HIS A 9 3.200 19.905 -21.918 1.00 0.00 C ATOM 85 C HIS A 9 3.772 19.780 -20.509 1.00 0.00 C ATOM 86 O HIS A 9 4.527 20.641 -20.058 1.00 0.00 O ATOM 87 CB HIS A 9 4.263 19.523 -22.948 1.00 0.00 C ATOM 88 CG HIS A 9 4.388 18.045 -23.160 1.00 0.00 C ATOM 89 ND1 HIS A 9 3.337 17.252 -23.570 1.00 0.00 N ATOM 90 CD2 HIS A 9 5.449 17.217 -23.018 1.00 0.00 C ATOM 91 CE1 HIS A 9 3.746 16.000 -23.669 1.00 0.00 C ATOM 92 NE2 HIS A 9 5.024 15.952 -23.340 1.00 0.00 N ATOM 0 H HIS A 9 3.096 21.963 -21.530 1.00 0.00 H new ATOM 0 HA HIS A 9 2.354 19.223 -22.010 1.00 0.00 H new ATOM 0 HB2 HIS A 9 4.024 19.999 -23.899 1.00 0.00 H new ATOM 0 HB3 HIS A 9 5.227 19.919 -22.627 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.445 17.499 -22.709 1.00 0.00 H new ATOM 0 HE1 HIS A 9 3.139 15.159 -23.968 1.00 0.00 H new ATOM 0 HE2 HIS A 9 5.602 15.111 -23.327 1.00 0.00 H new ATOM 100 N GLN A 10 3.407 18.703 -19.820 1.00 0.00 N ATOM 101 CA GLN A 10 3.884 18.468 -18.462 1.00 0.00 C ATOM 102 C GLN A 10 3.570 17.044 -18.015 1.00 0.00 C ATOM 103 O GLN A 10 2.468 16.543 -18.237 1.00 0.00 O ATOM 104 CB GLN A 10 3.251 19.471 -17.496 1.00 0.00 C ATOM 105 CG GLN A 10 3.938 19.527 -16.141 1.00 0.00 C ATOM 106 CD GLN A 10 3.262 20.487 -15.183 1.00 0.00 C ATOM 107 OE1 GLN A 10 2.512 21.372 -15.598 1.00 0.00 O ATOM 108 NE2 GLN A 10 3.523 20.318 -13.892 1.00 0.00 N ATOM 0 H GLN A 10 2.783 17.980 -20.179 1.00 0.00 H new ATOM 0 HA GLN A 10 4.966 18.601 -18.454 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.275 20.463 -17.948 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.202 19.212 -17.352 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.949 18.529 -15.702 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.977 19.827 -16.277 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.150 19.572 -13.592 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.096 20.934 -13.200 1.00 0.00 H new ATOM 117 N GLU A 11 4.545 16.399 -17.383 1.00 0.00 N ATOM 118 CA GLU A 11 4.372 15.032 -16.905 1.00 0.00 C ATOM 119 C GLU A 11 4.645 14.941 -15.406 1.00 0.00 C ATOM 120 O GLU A 11 5.604 15.524 -14.903 1.00 0.00 O ATOM 121 CB GLU A 11 5.301 14.082 -17.663 1.00 0.00 C ATOM 122 CG GLU A 11 6.776 14.324 -17.387 1.00 0.00 C ATOM 123 CD GLU A 11 7.680 13.564 -18.339 1.00 0.00 C ATOM 124 OE1 GLU A 11 7.599 13.815 -19.560 1.00 0.00 O ATOM 125 OE2 GLU A 11 8.467 12.720 -17.863 1.00 0.00 O ATOM 0 H GLU A 11 5.463 16.801 -17.190 1.00 0.00 H new ATOM 0 HA GLU A 11 3.338 14.739 -17.086 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.054 13.055 -17.395 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.118 14.185 -18.733 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.986 15.391 -17.466 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.003 14.029 -16.363 1.00 0.00 H new ATOM 132 N ALA A 12 3.793 14.205 -14.700 1.00 0.00 N ATOM 133 CA ALA A 12 3.943 14.035 -13.260 1.00 0.00 C ATOM 134 C ALA A 12 3.714 12.584 -12.851 1.00 0.00 C ATOM 135 O ALA A 12 2.586 12.093 -12.872 1.00 0.00 O ATOM 136 CB ALA A 12 2.982 14.952 -12.518 1.00 0.00 C ATOM 0 H ALA A 12 2.992 13.717 -15.102 1.00 0.00 H new ATOM 0 HA ALA A 12 4.965 14.303 -12.992 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.105 14.815 -11.444 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.195 15.989 -12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.957 14.710 -12.800 1.00 0.00 H new ATOM 142 N GLY A 13 4.793 11.901 -12.479 1.00 0.00 N ATOM 143 CA GLY A 13 4.688 10.513 -12.072 1.00 0.00 C ATOM 144 C GLY A 13 5.701 10.143 -11.007 1.00 0.00 C ATOM 145 O GLY A 13 6.721 9.520 -11.301 1.00 0.00 O ATOM 0 H GLY A 13 5.738 12.285 -12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.683 10.323 -11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.829 9.871 -12.942 1.00 0.00 H new ATOM 149 N ALA A 14 5.421 10.529 -9.766 1.00 0.00 N ATOM 150 CA ALA A 14 6.316 10.234 -8.654 1.00 0.00 C ATOM 151 C ALA A 14 5.882 8.969 -7.922 1.00 0.00 C ATOM 152 O ALA A 14 4.699 8.631 -7.892 1.00 0.00 O ATOM 153 CB ALA A 14 6.368 11.411 -7.692 1.00 0.00 C ATOM 0 H ALA A 14 4.581 11.047 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 14 7.314 10.065 -9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.040 11.177 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.732 12.294 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.369 11.607 -7.302 1.00 0.00 H new ATOM 159 N GLY A 15 6.848 8.271 -7.331 1.00 0.00 N ATOM 160 CA GLY A 15 6.545 7.050 -6.608 1.00 0.00 C ATOM 161 C GLY A 15 7.126 7.047 -5.208 1.00 0.00 C ATOM 162 O GLY A 15 7.695 6.048 -4.767 1.00 0.00 O ATOM 0 H GLY A 15 7.835 8.530 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.464 6.924 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.936 6.197 -7.162 1.00 0.00 H new ATOM 166 N ASP A 16 6.985 8.167 -4.508 1.00 0.00 N ATOM 167 CA ASP A 16 7.500 8.290 -3.149 1.00 0.00 C ATOM 168 C ASP A 16 6.447 8.883 -2.219 1.00 0.00 C ATOM 169 O ASP A 16 6.763 9.669 -1.326 1.00 0.00 O ATOM 170 CB ASP A 16 8.758 9.160 -3.135 1.00 0.00 C ATOM 171 CG ASP A 16 9.702 8.832 -4.276 1.00 0.00 C ATOM 172 OD1 ASP A 16 10.254 7.711 -4.285 1.00 0.00 O ATOM 173 OD2 ASP A 16 9.887 9.695 -5.159 1.00 0.00 O ATOM 0 H ASP A 16 6.518 9.003 -4.859 1.00 0.00 H new ATOM 0 HA ASP A 16 7.753 7.292 -2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.471 10.210 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.278 9.026 -2.187 1.00 0.00 H new ATOM 178 N LEU A 17 5.192 8.502 -2.436 1.00 0.00 N ATOM 179 CA LEU A 17 4.091 8.997 -1.618 1.00 0.00 C ATOM 180 C LEU A 17 3.265 7.842 -1.061 1.00 0.00 C ATOM 181 O LEU A 17 2.927 6.902 -1.781 1.00 0.00 O ATOM 182 CB LEU A 17 3.197 9.928 -2.439 1.00 0.00 C ATOM 183 CG LEU A 17 3.919 10.989 -3.271 1.00 0.00 C ATOM 184 CD1 LEU A 17 2.933 11.731 -4.161 1.00 0.00 C ATOM 185 CD2 LEU A 17 4.661 11.962 -2.367 1.00 0.00 C ATOM 0 H LEU A 17 4.913 7.852 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 17 4.514 9.554 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.591 9.319 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.511 10.433 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 17 4.648 10.489 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.464 12.482 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.447 11.024 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.180 12.219 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.169 12.710 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.951 12.456 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.396 11.419 -1.773 1.00 0.00 H new ATOM 197 N CYS A 18 2.940 7.920 0.226 1.00 0.00 N ATOM 198 CA CYS A 18 2.152 6.883 0.880 1.00 0.00 C ATOM 199 C CYS A 18 1.202 6.215 -0.110 1.00 0.00 C ATOM 200 O CYS A 18 0.345 6.870 -0.702 1.00 0.00 O ATOM 201 CB CYS A 18 1.357 7.476 2.045 1.00 0.00 C ATOM 202 SG CYS A 18 0.532 6.233 3.091 1.00 0.00 S ATOM 0 H CYS A 18 3.211 8.691 0.836 1.00 0.00 H new ATOM 0 HA CYS A 18 2.838 6.128 1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.029 8.069 2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.605 8.158 1.648 1.00 0.00 H new ATOM 207 N ALA A 19 1.362 4.907 -0.284 1.00 0.00 N ATOM 208 CA ALA A 19 0.518 4.150 -1.200 1.00 0.00 C ATOM 209 C ALA A 19 -0.823 3.811 -0.558 1.00 0.00 C ATOM 210 O ALA A 19 -1.578 2.984 -1.071 1.00 0.00 O ATOM 211 CB ALA A 19 1.228 2.880 -1.645 1.00 0.00 C ATOM 0 H ALA A 19 2.068 4.350 0.197 1.00 0.00 H new ATOM 0 HA ALA A 19 0.326 4.771 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.586 2.325 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.157 3.141 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.450 2.263 -0.774 1.00 0.00 H new ATOM 217 N LEU A 20 -1.114 4.454 0.567 1.00 0.00 N ATOM 218 CA LEU A 20 -2.365 4.221 1.280 1.00 0.00 C ATOM 219 C LEU A 20 -3.258 5.456 1.233 1.00 0.00 C ATOM 220 O LEU A 20 -4.447 5.365 0.925 1.00 0.00 O ATOM 221 CB LEU A 20 -2.082 3.837 2.734 1.00 0.00 C ATOM 222 CG LEU A 20 -1.940 2.341 3.018 1.00 0.00 C ATOM 223 CD1 LEU A 20 -1.073 2.111 4.246 1.00 0.00 C ATOM 224 CD2 LEU A 20 -3.309 1.701 3.202 1.00 0.00 C ATOM 0 H LEU A 20 -0.501 5.141 1.005 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.887 3.400 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.165 4.335 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.887 4.230 3.356 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.454 1.873 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.983 1.041 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.083 2.534 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.531 2.593 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.189 0.636 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.822 2.173 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.898 1.835 2.295 1.00 0.00 H new ATOM 236 N CYS A 21 -2.677 6.612 1.537 1.00 0.00 N ATOM 237 CA CYS A 21 -3.419 7.867 1.528 1.00 0.00 C ATOM 238 C CYS A 21 -3.056 8.704 0.305 1.00 0.00 C ATOM 239 O CYS A 21 -3.930 9.221 -0.388 1.00 0.00 O ATOM 240 CB CYS A 21 -3.135 8.660 2.805 1.00 0.00 C ATOM 241 SG CYS A 21 -1.373 9.038 3.070 1.00 0.00 S ATOM 0 H CYS A 21 -1.694 6.705 1.793 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.482 7.632 1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.695 9.595 2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.507 8.096 3.660 1.00 0.00 H new ATOM 246 N GLY A 22 -1.758 8.833 0.046 1.00 0.00 N ATOM 247 CA GLY A 22 -1.301 9.607 -1.093 1.00 0.00 C ATOM 248 C GLY A 22 -0.657 10.917 -0.683 1.00 0.00 C ATOM 249 O GLY A 22 -0.888 11.951 -1.307 1.00 0.00 O ATOM 0 H GLY A 22 -1.015 8.415 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.585 9.017 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.145 9.811 -1.752 1.00 0.00 H new ATOM 253 N GLU A 23 0.153 10.872 0.371 1.00 0.00 N ATOM 254 CA GLU A 23 0.830 12.065 0.864 1.00 0.00 C ATOM 255 C GLU A 23 2.346 11.899 0.792 1.00 0.00 C ATOM 256 O GLU A 23 2.849 10.845 0.402 1.00 0.00 O ATOM 257 CB GLU A 23 0.407 12.360 2.305 1.00 0.00 C ATOM 258 CG GLU A 23 -0.986 12.957 2.419 1.00 0.00 C ATOM 259 CD GLU A 23 -0.975 14.473 2.387 1.00 0.00 C ATOM 260 OE1 GLU A 23 -0.207 15.044 1.586 1.00 0.00 O ATOM 261 OE2 GLU A 23 -1.736 15.087 3.163 1.00 0.00 O ATOM 0 H GLU A 23 0.356 10.023 0.899 1.00 0.00 H new ATOM 0 HA GLU A 23 0.542 12.903 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.446 11.437 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.125 13.047 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.605 12.585 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.447 12.620 3.348 1.00 0.00 H new ATOM 268 N HIS A 24 3.068 12.949 1.169 1.00 0.00 N ATOM 269 CA HIS A 24 4.527 12.921 1.147 1.00 0.00 C ATOM 270 C HIS A 24 5.067 11.934 2.178 1.00 0.00 C ATOM 271 O HIS A 24 4.515 11.798 3.271 1.00 0.00 O ATOM 272 CB HIS A 24 5.089 14.317 1.418 1.00 0.00 C ATOM 273 CG HIS A 24 6.394 14.581 0.732 1.00 0.00 C ATOM 274 ND1 HIS A 24 6.491 15.243 -0.473 1.00 0.00 N ATOM 275 CD2 HIS A 24 7.661 14.268 1.091 1.00 0.00 C ATOM 276 CE1 HIS A 24 7.761 15.325 -0.827 1.00 0.00 C ATOM 277 NE2 HIS A 24 8.492 14.741 0.105 1.00 0.00 N ATOM 0 H HIS A 24 2.668 13.829 1.493 1.00 0.00 H new ATOM 0 HA HIS A 24 4.845 12.595 0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.361 15.062 1.095 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.220 14.444 2.493 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.962 13.744 1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.138 15.791 -1.726 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.508 14.655 0.094 1.00 0.00 H new ATOM 285 N LEU A 25 6.147 11.248 1.823 1.00 0.00 N ATOM 286 CA LEU A 25 6.761 10.272 2.717 1.00 0.00 C ATOM 287 C LEU A 25 8.059 10.816 3.307 1.00 0.00 C ATOM 288 O LEU A 25 8.609 11.802 2.818 1.00 0.00 O ATOM 289 CB LEU A 25 7.036 8.967 1.968 1.00 0.00 C ATOM 290 CG LEU A 25 5.814 8.100 1.660 1.00 0.00 C ATOM 291 CD1 LEU A 25 6.176 6.999 0.675 1.00 0.00 C ATOM 292 CD2 LEU A 25 5.245 7.506 2.940 1.00 0.00 C ATOM 0 H LEU A 25 6.616 11.349 0.923 1.00 0.00 H new ATOM 0 HA LEU A 25 6.066 10.076 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.532 9.209 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.738 8.375 2.555 1.00 0.00 H new ATOM 0 HG LEU A 25 5.050 8.731 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.295 6.392 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.536 7.444 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.957 6.370 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.376 6.892 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.003 6.890 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.947 8.310 3.613 1.00 0.00 H new ATOM 304 N TYR A 26 8.542 10.164 4.358 1.00 0.00 N ATOM 305 CA TYR A 26 9.775 10.582 5.016 1.00 0.00 C ATOM 306 C TYR A 26 10.813 9.464 4.989 1.00 0.00 C ATOM 307 O TYR A 26 10.585 8.403 4.407 1.00 0.00 O ATOM 308 CB TYR A 26 9.492 10.997 6.461 1.00 0.00 C ATOM 309 CG TYR A 26 10.520 11.948 7.030 1.00 0.00 C ATOM 310 CD1 TYR A 26 10.757 13.182 6.436 1.00 0.00 C ATOM 311 CD2 TYR A 26 11.255 11.613 8.160 1.00 0.00 C ATOM 312 CE1 TYR A 26 11.696 14.054 6.952 1.00 0.00 C ATOM 313 CE2 TYR A 26 12.195 12.480 8.684 1.00 0.00 C ATOM 314 CZ TYR A 26 12.412 13.699 8.076 1.00 0.00 C ATOM 315 OH TYR A 26 13.348 14.564 8.594 1.00 0.00 O ATOM 0 H TYR A 26 8.099 9.344 4.773 1.00 0.00 H new ATOM 0 HA TYR A 26 10.175 11.437 4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.509 11.466 6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.450 10.104 7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.198 13.464 5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.089 10.659 8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 26 11.869 15.009 6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.757 12.205 9.565 1.00 0.00 H new ATOM 0 HH TYR A 26 13.762 14.162 9.386 1.00 0.00 H new ATOM 325 N VAL A 27 11.954 9.709 5.625 1.00 0.00 N ATOM 326 CA VAL A 27 13.027 8.724 5.677 1.00 0.00 C ATOM 327 C VAL A 27 12.790 7.712 6.793 1.00 0.00 C ATOM 328 O VAL A 27 12.920 6.504 6.588 1.00 0.00 O ATOM 329 CB VAL A 27 14.396 9.396 5.891 1.00 0.00 C ATOM 330 CG1 VAL A 27 15.504 8.354 5.919 1.00 0.00 C ATOM 331 CG2 VAL A 27 14.655 10.432 4.808 1.00 0.00 C ATOM 0 H VAL A 27 12.159 10.582 6.112 1.00 0.00 H new ATOM 0 HA VAL A 27 13.030 8.208 4.717 1.00 0.00 H new ATOM 0 HB VAL A 27 14.385 9.905 6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.464 8.848 6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.323 7.653 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.520 7.814 4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 27 15.627 10.897 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.647 9.947 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.877 11.195 4.841 1.00 0.00 H new ATOM 341 N LEU A 28 12.442 8.211 7.973 1.00 0.00 N ATOM 342 CA LEU A 28 12.185 7.351 9.123 1.00 0.00 C ATOM 343 C LEU A 28 10.690 7.100 9.293 1.00 0.00 C ATOM 344 O LEU A 28 10.230 6.753 10.380 1.00 0.00 O ATOM 345 CB LEU A 28 12.756 7.982 10.394 1.00 0.00 C ATOM 346 CG LEU A 28 14.281 8.064 10.476 1.00 0.00 C ATOM 347 CD1 LEU A 28 14.777 9.376 9.888 1.00 0.00 C ATOM 348 CD2 LEU A 28 14.746 7.914 11.917 1.00 0.00 C ATOM 0 H LEU A 28 12.331 9.208 8.159 1.00 0.00 H new ATOM 0 HA LEU A 28 12.677 6.394 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.352 8.990 10.488 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.396 7.413 11.251 1.00 0.00 H new ATOM 0 HG LEU A 28 14.702 7.245 9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.864 9.417 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.475 9.444 8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.348 10.209 10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.834 7.975 11.957 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.316 8.711 12.523 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.422 6.948 12.305 1.00 0.00 H new ATOM 360 N GLU A 29 9.939 7.277 8.211 1.00 0.00 N ATOM 361 CA GLU A 29 8.496 7.069 8.241 1.00 0.00 C ATOM 362 C GLU A 29 8.054 6.156 7.101 1.00 0.00 C ATOM 363 O GLU A 29 7.124 5.364 7.250 1.00 0.00 O ATOM 364 CB GLU A 29 7.763 8.408 8.151 1.00 0.00 C ATOM 365 CG GLU A 29 8.185 9.407 9.215 1.00 0.00 C ATOM 366 CD GLU A 29 7.266 10.611 9.283 1.00 0.00 C ATOM 367 OE1 GLU A 29 7.324 11.454 8.362 1.00 0.00 O ATOM 368 OE2 GLU A 29 6.490 10.712 10.256 1.00 0.00 O ATOM 0 H GLU A 29 10.305 7.564 7.303 1.00 0.00 H new ATOM 0 HA GLU A 29 8.244 6.589 9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.938 8.843 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.691 8.232 8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.202 8.912 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.202 9.742 9.010 1.00 0.00 H new ATOM 375 N ARG A 30 8.728 6.274 5.961 1.00 0.00 N ATOM 376 CA ARG A 30 8.404 5.462 4.794 1.00 0.00 C ATOM 377 C ARG A 30 8.686 3.987 5.064 1.00 0.00 C ATOM 378 O ARG A 30 9.734 3.633 5.607 1.00 0.00 O ATOM 379 CB ARG A 30 9.208 5.933 3.580 1.00 0.00 C ATOM 380 CG ARG A 30 10.676 5.543 3.633 1.00 0.00 C ATOM 381 CD ARG A 30 11.371 5.809 2.307 1.00 0.00 C ATOM 382 NE ARG A 30 11.816 7.195 2.190 1.00 0.00 N ATOM 383 CZ ARG A 30 11.072 8.164 1.669 1.00 0.00 C ATOM 384 NH1 ARG A 30 9.853 7.899 1.218 1.00 0.00 N ATOM 385 NH2 ARG A 30 11.547 9.401 1.597 1.00 0.00 N ATOM 0 H ARG A 30 9.502 6.924 5.821 1.00 0.00 H new ATOM 0 HA ARG A 30 7.341 5.578 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.763 5.517 2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.132 7.018 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.174 6.103 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.764 4.486 3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.228 5.143 2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.690 5.577 1.488 1.00 0.00 H new ATOM 0 HE ARG A 30 12.749 7.432 2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.485 6.949 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.284 8.645 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.484 9.608 1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.975 10.145 1.197 1.00 0.00 H new ATOM 399 N LEU A 31 7.746 3.131 4.680 1.00 0.00 N ATOM 400 CA LEU A 31 7.892 1.693 4.881 1.00 0.00 C ATOM 401 C LEU A 31 8.198 0.989 3.563 1.00 0.00 C ATOM 402 O LEU A 31 7.303 0.755 2.750 1.00 0.00 O ATOM 403 CB LEU A 31 6.620 1.112 5.500 1.00 0.00 C ATOM 404 CG LEU A 31 6.609 0.994 7.024 1.00 0.00 C ATOM 405 CD1 LEU A 31 6.297 2.339 7.662 1.00 0.00 C ATOM 406 CD2 LEU A 31 5.601 -0.056 7.470 1.00 0.00 C ATOM 0 H LEU A 31 6.874 3.407 4.228 1.00 0.00 H new ATOM 0 HA LEU A 31 8.727 1.529 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.776 1.733 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.454 0.121 5.078 1.00 0.00 H new ATOM 0 HG LEU A 31 7.600 0.681 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.294 2.235 8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.055 3.065 7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.318 2.682 7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.606 -0.127 8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.605 0.228 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.869 -1.022 7.042 1.00 0.00 H new ATOM 418 N CYS A 32 9.467 0.651 3.359 1.00 0.00 N ATOM 419 CA CYS A 32 9.890 -0.029 2.141 1.00 0.00 C ATOM 420 C CYS A 32 9.300 -1.434 2.068 1.00 0.00 C ATOM 421 O CYS A 32 9.814 -2.367 2.684 1.00 0.00 O ATOM 422 CB CYS A 32 11.417 -0.101 2.076 1.00 0.00 C ATOM 423 SG CYS A 32 12.249 1.429 2.562 1.00 0.00 S ATOM 0 H CYS A 32 10.220 0.837 4.022 1.00 0.00 H new ATOM 0 HA CYS A 32 9.523 0.544 1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 32 11.760 -0.909 2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 32 11.715 -0.357 1.059 1.00 0.00 H new ATOM 0 HG CYS A 32 11.541 2.449 2.177 1.00 0.00 H new ATOM 429 N VAL A 33 8.215 -1.576 1.312 1.00 0.00 N ATOM 430 CA VAL A 33 7.554 -2.866 1.160 1.00 0.00 C ATOM 431 C VAL A 33 7.442 -3.256 -0.310 1.00 0.00 C ATOM 432 O VAL A 33 6.563 -2.777 -1.024 1.00 0.00 O ATOM 433 CB VAL A 33 6.146 -2.852 1.784 1.00 0.00 C ATOM 434 CG1 VAL A 33 5.472 -4.205 1.612 1.00 0.00 C ATOM 435 CG2 VAL A 33 6.219 -2.467 3.254 1.00 0.00 C ATOM 0 H VAL A 33 7.776 -0.814 0.796 1.00 0.00 H new ATOM 0 HA VAL A 33 8.168 -3.600 1.682 1.00 0.00 H new ATOM 0 HB VAL A 33 5.545 -2.105 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.478 -4.176 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.386 -4.436 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.069 -4.974 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.215 -2.462 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.836 -3.189 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.658 -1.474 3.349 1.00 0.00 H new ATOM 445 N ASN A 34 8.340 -4.129 -0.755 1.00 0.00 N ATOM 446 CA ASN A 34 8.343 -4.584 -2.140 1.00 0.00 C ATOM 447 C ASN A 34 8.271 -3.401 -3.101 1.00 0.00 C ATOM 448 O ASN A 34 7.464 -3.390 -4.029 1.00 0.00 O ATOM 449 CB ASN A 34 7.166 -5.530 -2.390 1.00 0.00 C ATOM 450 CG ASN A 34 7.412 -6.918 -1.830 1.00 0.00 C ATOM 451 OD1 ASN A 34 8.523 -7.442 -1.903 1.00 0.00 O ATOM 452 ND2 ASN A 34 6.371 -7.521 -1.267 1.00 0.00 N ATOM 0 H ASN A 34 9.075 -4.535 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 34 9.276 -5.119 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.266 -5.113 -1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.981 -5.601 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.475 -8.456 -0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.468 -7.049 -1.228 1.00 0.00 H new ATOM 459 N GLY A 35 9.124 -2.407 -2.872 1.00 0.00 N ATOM 460 CA GLY A 35 9.142 -1.233 -3.725 1.00 0.00 C ATOM 461 C GLY A 35 8.109 -0.202 -3.315 1.00 0.00 C ATOM 462 O GLY A 35 8.330 1.000 -3.461 1.00 0.00 O ATOM 0 H GLY A 35 9.803 -2.394 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.133 -0.781 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.960 -1.534 -4.757 1.00 0.00 H new ATOM 466 N HIS A 36 6.977 -0.673 -2.802 1.00 0.00 N ATOM 467 CA HIS A 36 5.905 0.217 -2.371 1.00 0.00 C ATOM 468 C HIS A 36 6.195 0.786 -0.985 1.00 0.00 C ATOM 469 O HIS A 36 6.556 0.052 -0.065 1.00 0.00 O ATOM 470 CB HIS A 36 4.569 -0.527 -2.360 1.00 0.00 C ATOM 471 CG HIS A 36 4.252 -1.207 -3.656 1.00 0.00 C ATOM 472 ND1 HIS A 36 4.494 -0.634 -4.886 1.00 0.00 N ATOM 473 CD2 HIS A 36 3.710 -2.422 -3.908 1.00 0.00 C ATOM 474 CE1 HIS A 36 4.113 -1.465 -5.839 1.00 0.00 C ATOM 475 NE2 HIS A 36 3.634 -2.558 -5.273 1.00 0.00 N ATOM 0 H HIS A 36 6.778 -1.665 -2.675 1.00 0.00 H new ATOM 0 HA HIS A 36 5.846 1.044 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.583 -1.270 -1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.772 0.178 -2.124 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.396 -3.149 -3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.181 -1.282 -6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.267 -3.371 -5.769 1.00 0.00 H new ATOM 483 N PHE A 37 6.037 2.098 -0.844 1.00 0.00 N ATOM 484 CA PHE A 37 6.284 2.765 0.428 1.00 0.00 C ATOM 485 C PHE A 37 4.976 3.235 1.059 1.00 0.00 C ATOM 486 O PHE A 37 4.056 3.663 0.362 1.00 0.00 O ATOM 487 CB PHE A 37 7.224 3.956 0.230 1.00 0.00 C ATOM 488 CG PHE A 37 8.553 3.579 -0.360 1.00 0.00 C ATOM 489 CD1 PHE A 37 8.684 3.360 -1.722 1.00 0.00 C ATOM 490 CD2 PHE A 37 9.671 3.444 0.447 1.00 0.00 C ATOM 491 CE1 PHE A 37 9.905 3.014 -2.269 1.00 0.00 C ATOM 492 CE2 PHE A 37 10.895 3.098 -0.094 1.00 0.00 C ATOM 493 CZ PHE A 37 11.012 2.881 -1.453 1.00 0.00 C ATOM 0 H PHE A 37 5.739 2.720 -1.595 1.00 0.00 H new ATOM 0 HA PHE A 37 6.754 2.047 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.741 4.686 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 37 7.387 4.444 1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.821 3.461 -2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.585 3.611 1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.994 2.848 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.759 2.997 0.546 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.967 2.608 -1.877 1.00 0.00 H new ATOM 503 N PHE A 38 4.901 3.151 2.383 1.00 0.00 N ATOM 504 CA PHE A 38 3.706 3.565 3.109 1.00 0.00 C ATOM 505 C PHE A 38 4.078 4.289 4.400 1.00 0.00 C ATOM 506 O PHE A 38 5.241 4.303 4.805 1.00 0.00 O ATOM 507 CB PHE A 38 2.830 2.352 3.426 1.00 0.00 C ATOM 508 CG PHE A 38 2.592 1.459 2.242 1.00 0.00 C ATOM 509 CD1 PHE A 38 3.602 0.643 1.758 1.00 0.00 C ATOM 510 CD2 PHE A 38 1.358 1.436 1.612 1.00 0.00 C ATOM 511 CE1 PHE A 38 3.386 -0.180 0.669 1.00 0.00 C ATOM 512 CE2 PHE A 38 1.136 0.615 0.522 1.00 0.00 C ATOM 513 CZ PHE A 38 2.152 -0.193 0.050 1.00 0.00 C ATOM 0 H PHE A 38 5.654 2.800 2.975 1.00 0.00 H new ATOM 0 HA PHE A 38 3.146 4.253 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.300 1.772 4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.870 2.697 3.809 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.570 0.650 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.561 2.067 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.181 -0.812 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.169 0.605 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.981 -0.834 -0.802 1.00 0.00 H new ATOM 523 N HIS A 39 3.081 4.890 5.042 1.00 0.00 N ATOM 524 CA HIS A 39 3.303 5.617 6.288 1.00 0.00 C ATOM 525 C HIS A 39 3.327 4.661 7.477 1.00 0.00 C ATOM 526 O HIS A 39 2.731 3.585 7.433 1.00 0.00 O ATOM 527 CB HIS A 39 2.214 6.671 6.488 1.00 0.00 C ATOM 528 CG HIS A 39 2.510 7.974 5.811 1.00 0.00 C ATOM 529 ND1 HIS A 39 1.531 8.782 5.272 1.00 0.00 N ATOM 530 CD2 HIS A 39 3.684 8.609 5.589 1.00 0.00 C ATOM 531 CE1 HIS A 39 2.090 9.857 4.746 1.00 0.00 C ATOM 532 NE2 HIS A 39 3.397 9.777 4.925 1.00 0.00 N ATOM 0 H HIS A 39 2.113 4.888 4.721 1.00 0.00 H new ATOM 0 HA HIS A 39 4.271 6.113 6.224 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.269 6.281 6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.082 6.847 7.556 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.665 8.262 5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.568 10.664 4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.081 10.469 4.620 1.00 0.00 H new ATOM 540 N ARG A 40 4.019 5.062 8.538 1.00 0.00 N ATOM 541 CA ARG A 40 4.122 4.241 9.738 1.00 0.00 C ATOM 542 C ARG A 40 2.783 4.171 10.466 1.00 0.00 C ATOM 543 O ARG A 40 2.568 3.300 11.309 1.00 0.00 O ATOM 544 CB ARG A 40 5.195 4.801 10.674 1.00 0.00 C ATOM 545 CG ARG A 40 6.611 4.423 10.273 1.00 0.00 C ATOM 546 CD ARG A 40 7.033 3.100 10.895 1.00 0.00 C ATOM 547 NE ARG A 40 8.323 2.643 10.387 1.00 0.00 N ATOM 548 CZ ARG A 40 9.484 3.189 10.732 1.00 0.00 C ATOM 549 NH1 ARG A 40 9.516 4.206 11.582 1.00 0.00 N ATOM 550 NH2 ARG A 40 10.617 2.717 10.227 1.00 0.00 N ATOM 0 H ARG A 40 4.517 5.951 8.591 1.00 0.00 H new ATOM 0 HA ARG A 40 4.404 3.233 9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.112 5.888 10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.005 4.443 11.686 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.676 4.353 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.300 5.208 10.584 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.088 3.210 11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.274 2.345 10.690 1.00 0.00 H new ATOM 0 HE ARG A 40 8.334 1.862 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.648 4.571 11.973 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.409 4.623 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.597 1.934 9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.508 3.137 10.493 1.00 0.00 H new ATOM 564 N SER A 41 1.886 5.094 10.134 1.00 0.00 N ATOM 565 CA SER A 41 0.569 5.140 10.759 1.00 0.00 C ATOM 566 C SER A 41 -0.474 4.461 9.878 1.00 0.00 C ATOM 567 O SER A 41 -1.257 3.634 10.347 1.00 0.00 O ATOM 568 CB SER A 41 0.160 6.589 11.029 1.00 0.00 C ATOM 569 OG SER A 41 0.083 7.331 9.824 1.00 0.00 O ATOM 0 H SER A 41 2.047 5.820 9.436 1.00 0.00 H new ATOM 0 HA SER A 41 0.624 4.603 11.706 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.806 6.609 11.534 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.881 7.054 11.701 1.00 0.00 H new ATOM 0 HG SER A 41 -0.182 8.253 10.024 1.00 0.00 H new ATOM 575 N CYS A 42 -0.479 4.816 8.597 1.00 0.00 N ATOM 576 CA CYS A 42 -1.426 4.242 7.648 1.00 0.00 C ATOM 577 C CYS A 42 -1.187 2.744 7.480 1.00 0.00 C ATOM 578 O CYS A 42 -2.131 1.965 7.348 1.00 0.00 O ATOM 579 CB CYS A 42 -1.310 4.944 6.293 1.00 0.00 C ATOM 580 SG CYS A 42 -1.741 6.713 6.333 1.00 0.00 S ATOM 0 H CYS A 42 0.162 5.498 8.192 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.432 4.389 8.041 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.289 4.838 5.927 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.959 4.439 5.577 1.00 0.00 H new ATOM 585 N PHE A 43 0.081 2.349 7.484 1.00 0.00 N ATOM 586 CA PHE A 43 0.445 0.945 7.332 1.00 0.00 C ATOM 587 C PHE A 43 -0.117 0.110 8.478 1.00 0.00 C ATOM 588 O PHE A 43 0.484 0.022 9.549 1.00 0.00 O ATOM 589 CB PHE A 43 1.967 0.794 7.274 1.00 0.00 C ATOM 590 CG PHE A 43 2.417 -0.583 6.878 1.00 0.00 C ATOM 591 CD1 PHE A 43 2.093 -1.102 5.635 1.00 0.00 C ATOM 592 CD2 PHE A 43 3.166 -1.359 7.749 1.00 0.00 C ATOM 593 CE1 PHE A 43 2.506 -2.369 5.269 1.00 0.00 C ATOM 594 CE2 PHE A 43 3.582 -2.626 7.388 1.00 0.00 C ATOM 595 CZ PHE A 43 3.252 -3.132 6.146 1.00 0.00 C ATOM 0 H PHE A 43 0.874 2.981 7.591 1.00 0.00 H new ATOM 0 HA PHE A 43 0.015 0.583 6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.369 1.517 6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.386 1.038 8.250 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.511 -0.510 4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.427 -0.968 8.721 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.246 -2.762 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.165 -3.220 8.076 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.576 -4.122 5.861 1.00 0.00 H new ATOM 605 N ARG A 44 -1.274 -0.502 8.245 1.00 0.00 N ATOM 606 CA ARG A 44 -1.919 -1.329 9.258 1.00 0.00 C ATOM 607 C ARG A 44 -2.631 -2.516 8.617 1.00 0.00 C ATOM 608 O ARG A 44 -2.733 -2.607 7.393 1.00 0.00 O ATOM 609 CB ARG A 44 -2.917 -0.497 10.066 1.00 0.00 C ATOM 610 CG ARG A 44 -2.338 0.807 10.592 1.00 0.00 C ATOM 611 CD ARG A 44 -3.424 1.712 11.152 1.00 0.00 C ATOM 612 NE ARG A 44 -2.871 2.789 11.969 1.00 0.00 N ATOM 613 CZ ARG A 44 -3.497 3.938 12.192 1.00 0.00 C ATOM 614 NH1 ARG A 44 -4.692 4.160 11.661 1.00 0.00 N ATOM 615 NH2 ARG A 44 -2.929 4.870 12.947 1.00 0.00 N ATOM 0 H ARG A 44 -1.784 -0.441 7.364 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.147 -1.709 9.927 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.782 -0.275 9.441 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.276 -1.091 10.907 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.604 0.593 11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.811 1.323 9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.999 2.139 10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.115 1.120 11.752 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.953 2.651 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.132 3.447 11.080 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.171 5.044 11.834 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.010 4.704 13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.412 5.752 13.117 1.00 0.00 H new ATOM 629 N CYS A 45 -3.123 -3.425 9.452 1.00 0.00 N ATOM 630 CA CYS A 45 -3.825 -4.608 8.969 1.00 0.00 C ATOM 631 C CYS A 45 -5.004 -4.216 8.082 1.00 0.00 C ATOM 632 O CYS A 45 -5.425 -3.059 8.066 1.00 0.00 O ATOM 633 CB CYS A 45 -4.317 -5.451 10.147 1.00 0.00 C ATOM 634 SG CYS A 45 -4.928 -7.102 9.676 1.00 0.00 S ATOM 0 H CYS A 45 -3.048 -3.365 10.467 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.126 -5.198 8.376 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.503 -5.567 10.862 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.115 -4.912 10.658 1.00 0.00 H new ATOM 639 N HIS A 46 -5.532 -5.189 7.346 1.00 0.00 N ATOM 640 CA HIS A 46 -6.663 -4.947 6.457 1.00 0.00 C ATOM 641 C HIS A 46 -7.964 -5.436 7.087 1.00 0.00 C ATOM 642 O HIS A 46 -9.043 -5.269 6.518 1.00 0.00 O ATOM 643 CB HIS A 46 -6.440 -5.642 5.114 1.00 0.00 C ATOM 644 CG HIS A 46 -7.640 -5.612 4.218 1.00 0.00 C ATOM 645 ND1 HIS A 46 -8.723 -6.422 4.160 1.00 0.00 N flip ATOM 646 CD2 HIS A 46 -7.821 -4.663 3.234 1.00 0.00 C flip ATOM 647 CE1 HIS A 46 -9.530 -5.952 3.154 1.00 0.00 C flip ATOM 648 NE2 HIS A 46 -8.963 -4.890 2.610 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.195 -6.152 7.348 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.741 -3.872 6.293 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.603 -5.167 4.603 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.156 -6.679 5.293 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.136 -3.859 3.009 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.475 -6.381 2.856 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.342 -4.339 1.840 1.00 0.00 H new ATOM 656 N THR A 47 -7.854 -6.041 8.266 1.00 0.00 N ATOM 657 CA THR A 47 -9.020 -6.556 8.972 1.00 0.00 C ATOM 658 C THR A 47 -9.183 -5.882 10.330 1.00 0.00 C ATOM 659 O THR A 47 -10.299 -5.593 10.761 1.00 0.00 O ATOM 660 CB THR A 47 -8.927 -8.079 9.176 1.00 0.00 C ATOM 661 OG1 THR A 47 -9.153 -8.755 7.934 1.00 0.00 O ATOM 662 CG2 THR A 47 -9.941 -8.551 10.207 1.00 0.00 C ATOM 0 H THR A 47 -6.969 -6.186 8.752 1.00 0.00 H new ATOM 0 HA THR A 47 -9.888 -6.333 8.352 1.00 0.00 H new ATOM 0 HB THR A 47 -7.927 -8.313 9.540 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.090 -9.723 8.072 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.856 -9.630 10.334 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.748 -8.058 11.160 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.947 -8.304 9.868 1.00 0.00 H new ATOM 670 N CYS A 48 -8.062 -5.633 10.999 1.00 0.00 N ATOM 671 CA CYS A 48 -8.079 -4.992 12.309 1.00 0.00 C ATOM 672 C CYS A 48 -7.415 -3.619 12.251 1.00 0.00 C ATOM 673 O CYS A 48 -7.410 -2.881 13.235 1.00 0.00 O ATOM 674 CB CYS A 48 -7.369 -5.872 13.339 1.00 0.00 C ATOM 675 SG CYS A 48 -5.660 -6.313 12.889 1.00 0.00 S ATOM 0 H CYS A 48 -7.130 -5.865 10.656 1.00 0.00 H new ATOM 0 HA CYS A 48 -9.119 -4.860 12.609 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.359 -5.354 14.298 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -7.945 -6.787 13.477 1.00 0.00 H new ATOM 680 N GLU A 49 -6.858 -3.286 11.092 1.00 0.00 N ATOM 681 CA GLU A 49 -6.191 -2.002 10.907 1.00 0.00 C ATOM 682 C GLU A 49 -5.204 -1.734 12.039 1.00 0.00 C ATOM 683 O GLU A 49 -5.168 -0.639 12.600 1.00 0.00 O ATOM 684 CB GLU A 49 -7.221 -0.873 10.835 1.00 0.00 C ATOM 685 CG GLU A 49 -8.232 -1.042 9.714 1.00 0.00 C ATOM 686 CD GLU A 49 -9.116 0.178 9.537 1.00 0.00 C ATOM 687 OE1 GLU A 49 -8.571 1.278 9.306 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.353 0.032 9.629 1.00 0.00 O ATOM 0 H GLU A 49 -6.855 -3.886 10.267 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.639 -2.040 9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.751 -0.815 11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.700 0.075 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.705 -1.242 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.856 -1.911 9.921 1.00 0.00 H new ATOM 695 N ALA A 50 -4.404 -2.742 12.370 1.00 0.00 N ATOM 696 CA ALA A 50 -3.415 -2.616 13.433 1.00 0.00 C ATOM 697 C ALA A 50 -2.049 -2.239 12.871 1.00 0.00 C ATOM 698 O ALA A 50 -1.651 -2.714 11.806 1.00 0.00 O ATOM 699 CB ALA A 50 -3.323 -3.912 14.225 1.00 0.00 C ATOM 0 H ALA A 50 -4.422 -3.656 11.917 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.736 -1.817 14.101 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.581 -3.803 15.016 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.293 -4.138 14.667 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.029 -4.724 13.560 1.00 0.00 H new ATOM 705 N THR A 51 -1.333 -1.381 13.592 1.00 0.00 N ATOM 706 CA THR A 51 -0.012 -0.939 13.163 1.00 0.00 C ATOM 707 C THR A 51 0.910 -2.126 12.910 1.00 0.00 C ATOM 708 O THR A 51 1.525 -2.657 13.835 1.00 0.00 O ATOM 709 CB THR A 51 0.638 -0.014 14.210 1.00 0.00 C ATOM 710 OG1 THR A 51 -0.237 1.080 14.507 1.00 0.00 O ATOM 711 CG2 THR A 51 1.971 0.518 13.708 1.00 0.00 C ATOM 0 H THR A 51 -1.646 -0.979 14.475 1.00 0.00 H new ATOM 0 HA THR A 51 -0.150 -0.385 12.234 1.00 0.00 H new ATOM 0 HB THR A 51 0.814 -0.594 15.116 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.182 1.662 15.174 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.411 1.168 14.464 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.644 -0.316 13.510 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.814 1.083 12.789 1.00 0.00 H new ATOM 719 N LEU A 52 1.002 -2.539 11.650 1.00 0.00 N ATOM 720 CA LEU A 52 1.850 -3.665 11.274 1.00 0.00 C ATOM 721 C LEU A 52 3.323 -3.332 11.489 1.00 0.00 C ATOM 722 O LEU A 52 3.977 -2.769 10.612 1.00 0.00 O ATOM 723 CB LEU A 52 1.610 -4.043 9.811 1.00 0.00 C ATOM 724 CG LEU A 52 0.169 -4.388 9.436 1.00 0.00 C ATOM 725 CD1 LEU A 52 0.042 -4.590 7.934 1.00 0.00 C ATOM 726 CD2 LEU A 52 -0.295 -5.630 10.183 1.00 0.00 C ATOM 0 H LEU A 52 0.500 -2.111 10.872 1.00 0.00 H new ATOM 0 HA LEU A 52 1.591 -4.512 11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.939 -3.215 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.242 -4.897 9.569 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.470 -3.554 9.726 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.991 -4.835 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.332 -3.675 7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.694 -5.405 7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.323 -5.860 9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.348 -6.471 9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.243 -5.449 11.257 1.00 0.00 H new ATOM 738 N TRP A 53 3.839 -3.686 12.661 1.00 0.00 N ATOM 739 CA TRP A 53 5.236 -3.427 12.991 1.00 0.00 C ATOM 740 C TRP A 53 6.164 -4.286 12.141 1.00 0.00 C ATOM 741 O TRP A 53 5.795 -5.363 11.671 1.00 0.00 O ATOM 742 CB TRP A 53 5.489 -3.695 14.475 1.00 0.00 C ATOM 743 CG TRP A 53 4.391 -3.196 15.365 1.00 0.00 C ATOM 744 CD1 TRP A 53 3.296 -3.895 15.787 1.00 0.00 C ATOM 745 CD2 TRP A 53 4.281 -1.890 15.940 1.00 0.00 C ATOM 746 NE1 TRP A 53 2.512 -3.102 16.590 1.00 0.00 N ATOM 747 CE2 TRP A 53 3.095 -1.867 16.700 1.00 0.00 C ATOM 748 CE3 TRP A 53 5.069 -0.737 15.889 1.00 0.00 C ATOM 749 CZ2 TRP A 53 2.680 -0.737 17.400 1.00 0.00 C ATOM 750 CZ3 TRP A 53 4.657 0.384 16.584 1.00 0.00 C ATOM 751 CH2 TRP A 53 3.472 0.377 17.332 1.00 0.00 C ATOM 0 H TRP A 53 3.311 -4.153 13.398 1.00 0.00 H new ATOM 0 HA TRP A 53 5.446 -2.379 12.778 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.611 -4.767 14.627 1.00 0.00 H new ATOM 0 HB3 TRP A 53 6.427 -3.223 14.767 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.078 -4.921 15.528 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.638 -3.387 17.032 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.984 -0.722 15.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.766 -0.740 17.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.258 1.281 16.550 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.178 1.269 17.866 1.00 0.00 H new ATOM 762 N PRO A 54 7.399 -3.803 11.937 1.00 0.00 N ATOM 763 CA PRO A 54 8.405 -4.513 11.142 1.00 0.00 C ATOM 764 C PRO A 54 8.908 -5.774 11.836 1.00 0.00 C ATOM 765 O PRO A 54 10.005 -5.792 12.393 1.00 0.00 O ATOM 766 CB PRO A 54 9.536 -3.490 11.007 1.00 0.00 C ATOM 767 CG PRO A 54 9.383 -2.597 12.189 1.00 0.00 C ATOM 768 CD PRO A 54 7.906 -2.526 12.466 1.00 0.00 C ATOM 0 HA PRO A 54 8.004 -4.855 10.188 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.511 -3.977 11.002 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.454 -2.931 10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.923 -2.992 13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.790 -1.607 11.985 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.701 -2.423 13.532 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.444 -1.673 11.969 1.00 0.00 H new ATOM 776 N GLY A 55 8.098 -6.828 11.799 1.00 0.00 N ATOM 777 CA GLY A 55 8.479 -8.079 12.428 1.00 0.00 C ATOM 778 C GLY A 55 7.288 -8.838 12.976 1.00 0.00 C ATOM 779 O GLY A 55 7.420 -9.622 13.915 1.00 0.00 O ATOM 0 H GLY A 55 7.185 -6.838 11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.001 -8.703 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.181 -7.876 13.237 1.00 0.00 H new ATOM 783 N GLY A 56 6.118 -8.605 12.388 1.00 0.00 N ATOM 784 CA GLY A 56 4.914 -9.280 12.838 1.00 0.00 C ATOM 785 C GLY A 56 3.774 -9.153 11.848 1.00 0.00 C ATOM 786 O GLY A 56 2.622 -8.961 12.239 1.00 0.00 O ATOM 0 H GLY A 56 5.983 -7.961 11.609 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.133 -10.335 13.002 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.606 -8.865 13.798 1.00 0.00 H new ATOM 790 N TYR A 57 4.093 -9.257 10.563 1.00 0.00 N ATOM 791 CA TYR A 57 3.087 -9.148 9.514 1.00 0.00 C ATOM 792 C TYR A 57 3.517 -9.912 8.265 1.00 0.00 C ATOM 793 O TYR A 57 4.653 -10.375 8.169 1.00 0.00 O ATOM 794 CB TYR A 57 2.839 -7.679 9.167 1.00 0.00 C ATOM 795 CG TYR A 57 3.925 -7.067 8.313 1.00 0.00 C ATOM 796 CD1 TYR A 57 5.118 -6.632 8.877 1.00 0.00 C ATOM 797 CD2 TYR A 57 3.760 -6.924 6.941 1.00 0.00 C ATOM 798 CE1 TYR A 57 6.113 -6.071 8.101 1.00 0.00 C ATOM 799 CE2 TYR A 57 4.750 -6.365 6.156 1.00 0.00 C ATOM 800 CZ TYR A 57 5.925 -5.940 6.741 1.00 0.00 C ATOM 801 OH TYR A 57 6.914 -5.383 5.963 1.00 0.00 O ATOM 0 H TYR A 57 5.041 -9.417 10.223 1.00 0.00 H new ATOM 0 HA TYR A 57 2.162 -9.588 9.886 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.886 -7.594 8.644 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.749 -7.107 10.090 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.270 -6.734 9.941 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.841 -7.256 6.480 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.033 -5.737 8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.605 -6.261 5.091 1.00 0.00 H new ATOM 0 HH TYR A 57 6.623 -5.365 5.027 1.00 0.00 H new ATOM 811 N GLU A 58 2.600 -10.037 7.311 1.00 0.00 N ATOM 812 CA GLU A 58 2.884 -10.744 6.067 1.00 0.00 C ATOM 813 C GLU A 58 1.892 -10.349 4.978 1.00 0.00 C ATOM 814 O GLU A 58 0.788 -9.890 5.268 1.00 0.00 O ATOM 815 CB GLU A 58 2.836 -12.257 6.293 1.00 0.00 C ATOM 816 CG GLU A 58 4.077 -12.811 6.970 1.00 0.00 C ATOM 817 CD GLU A 58 4.229 -14.307 6.776 1.00 0.00 C ATOM 818 OE1 GLU A 58 4.070 -14.777 5.630 1.00 0.00 O ATOM 819 OE2 GLU A 58 4.508 -15.009 7.771 1.00 0.00 O ATOM 0 H GLU A 58 1.655 -9.658 7.375 1.00 0.00 H new ATOM 0 HA GLU A 58 3.885 -10.464 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.963 -12.498 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.703 -12.755 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.958 -12.306 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.034 -12.589 8.036 1.00 0.00 H new ATOM 826 N GLN A 59 2.295 -10.530 3.724 1.00 0.00 N ATOM 827 CA GLN A 59 1.442 -10.192 2.591 1.00 0.00 C ATOM 828 C GLN A 59 0.937 -11.451 1.894 1.00 0.00 C ATOM 829 O GLN A 59 1.713 -12.192 1.290 1.00 0.00 O ATOM 830 CB GLN A 59 2.204 -9.314 1.597 1.00 0.00 C ATOM 831 CG GLN A 59 1.465 -9.099 0.285 1.00 0.00 C ATOM 832 CD GLN A 59 2.404 -8.855 -0.880 1.00 0.00 C ATOM 833 OE1 GLN A 59 3.558 -8.469 -0.692 1.00 0.00 O ATOM 834 NE2 GLN A 59 1.913 -9.078 -2.093 1.00 0.00 N ATOM 0 H GLN A 59 3.207 -10.909 3.467 1.00 0.00 H new ATOM 0 HA GLN A 59 0.582 -9.639 2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.401 -8.345 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.172 -9.771 1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.848 -9.972 0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.790 -8.249 0.387 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.951 -9.398 -2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.498 -8.930 -2.915 1.00 0.00 H new ATOM 843 N HIS A 60 -0.368 -11.688 1.983 1.00 0.00 N ATOM 844 CA HIS A 60 -0.976 -12.858 1.360 1.00 0.00 C ATOM 845 C HIS A 60 -0.826 -12.806 -0.158 1.00 0.00 C ATOM 846 O HIS A 60 -1.153 -11.811 -0.804 1.00 0.00 O ATOM 847 CB HIS A 60 -2.456 -12.950 1.734 1.00 0.00 C ATOM 848 CG HIS A 60 -3.052 -14.302 1.492 1.00 0.00 C ATOM 849 ND1 HIS A 60 -3.790 -14.609 0.369 1.00 0.00 N ATOM 850 CD2 HIS A 60 -3.014 -15.433 2.236 1.00 0.00 C ATOM 851 CE1 HIS A 60 -4.182 -15.869 0.433 1.00 0.00 C ATOM 852 NE2 HIS A 60 -3.724 -16.391 1.556 1.00 0.00 N ATOM 0 H HIS A 60 -1.024 -11.086 2.480 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.459 -13.744 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.573 -12.694 2.787 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.014 -12.209 1.162 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.001 -13.964 -0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.518 -15.558 3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.776 -16.384 -0.307 1.00 0.00 H new ATOM 860 N PRO A 61 -0.318 -13.902 -0.740 1.00 0.00 N ATOM 861 CA PRO A 61 -0.112 -14.005 -2.188 1.00 0.00 C ATOM 862 C PRO A 61 -1.427 -14.087 -2.956 1.00 0.00 C ATOM 863 O PRO A 61 -1.503 -13.691 -4.119 1.00 0.00 O ATOM 864 CB PRO A 61 0.679 -15.307 -2.342 1.00 0.00 C ATOM 865 CG PRO A 61 0.319 -16.113 -1.142 1.00 0.00 C ATOM 866 CD PRO A 61 0.095 -15.124 -0.031 1.00 0.00 C ATOM 0 HA PRO A 61 0.398 -13.130 -2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.412 -15.826 -3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.751 -15.116 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.578 -16.705 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.116 -16.812 -0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.674 -15.466 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.001 -14.963 0.553 1.00 0.00 H new ATOM 874 N GLY A 62 -2.461 -14.602 -2.298 1.00 0.00 N ATOM 875 CA GLY A 62 -3.759 -14.726 -2.935 1.00 0.00 C ATOM 876 C GLY A 62 -4.221 -13.427 -3.565 1.00 0.00 C ATOM 877 O GLY A 62 -3.931 -13.157 -4.730 1.00 0.00 O ATOM 0 H GLY A 62 -2.423 -14.936 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.713 -15.501 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.493 -15.050 -2.197 1.00 0.00 H new ATOM 881 N ASP A 63 -4.944 -12.622 -2.794 1.00 0.00 N ATOM 882 CA ASP A 63 -5.448 -11.344 -3.284 1.00 0.00 C ATOM 883 C ASP A 63 -4.299 -10.399 -3.620 1.00 0.00 C ATOM 884 O ASP A 63 -4.239 -9.843 -4.716 1.00 0.00 O ATOM 885 CB ASP A 63 -6.367 -10.702 -2.243 1.00 0.00 C ATOM 886 CG ASP A 63 -7.743 -11.338 -2.214 1.00 0.00 C ATOM 887 OD1 ASP A 63 -8.294 -11.611 -3.301 1.00 0.00 O ATOM 888 OD2 ASP A 63 -8.268 -11.563 -1.103 1.00 0.00 O ATOM 0 H ASP A 63 -5.194 -12.832 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.018 -11.530 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.910 -10.787 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.466 -9.638 -2.457 1.00 0.00 H new ATOM 893 N GLY A 64 -3.389 -10.220 -2.667 1.00 0.00 N ATOM 894 CA GLY A 64 -2.255 -9.340 -2.881 1.00 0.00 C ATOM 895 C GLY A 64 -2.253 -8.156 -1.935 1.00 0.00 C ATOM 896 O GLY A 64 -1.992 -7.025 -2.345 1.00 0.00 O ATOM 0 H GLY A 64 -3.417 -10.668 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.332 -9.905 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.268 -8.979 -3.909 1.00 0.00 H new ATOM 900 N HIS A 65 -2.547 -8.415 -0.664 1.00 0.00 N ATOM 901 CA HIS A 65 -2.580 -7.361 0.343 1.00 0.00 C ATOM 902 C HIS A 65 -1.702 -7.723 1.537 1.00 0.00 C ATOM 903 O HIS A 65 -1.002 -8.736 1.522 1.00 0.00 O ATOM 904 CB HIS A 65 -4.015 -7.114 0.807 1.00 0.00 C ATOM 905 CG HIS A 65 -4.861 -6.410 -0.210 1.00 0.00 C ATOM 906 ND1 HIS A 65 -4.873 -5.040 -0.359 1.00 0.00 N ATOM 907 CD2 HIS A 65 -5.725 -6.896 -1.131 1.00 0.00 C ATOM 908 CE1 HIS A 65 -5.709 -4.713 -1.328 1.00 0.00 C ATOM 909 NE2 HIS A 65 -6.239 -5.821 -1.814 1.00 0.00 N ATOM 0 H HIS A 65 -2.766 -9.345 -0.308 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.191 -6.449 -0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.478 -8.069 1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.995 -6.523 1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.966 -7.936 -1.298 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.923 -3.710 -1.666 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.919 -5.870 -2.573 1.00 0.00 H new ATOM 917 N PHE A 66 -1.743 -6.889 2.571 1.00 0.00 N ATOM 918 CA PHE A 66 -0.950 -7.120 3.772 1.00 0.00 C ATOM 919 C PHE A 66 -1.848 -7.265 4.997 1.00 0.00 C ATOM 920 O PHE A 66 -2.661 -6.389 5.292 1.00 0.00 O ATOM 921 CB PHE A 66 0.040 -5.973 3.985 1.00 0.00 C ATOM 922 CG PHE A 66 1.192 -5.989 3.021 1.00 0.00 C ATOM 923 CD1 PHE A 66 1.005 -5.644 1.692 1.00 0.00 C ATOM 924 CD2 PHE A 66 2.461 -6.348 3.444 1.00 0.00 C ATOM 925 CE1 PHE A 66 2.063 -5.659 0.803 1.00 0.00 C ATOM 926 CE2 PHE A 66 3.523 -6.364 2.560 1.00 0.00 C ATOM 927 CZ PHE A 66 3.324 -6.018 1.238 1.00 0.00 C ATOM 0 H PHE A 66 -2.317 -6.047 2.601 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.395 -8.049 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.489 -5.025 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.427 -6.022 5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.022 -5.360 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.622 -6.619 4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.904 -5.390 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.507 -6.647 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.153 -6.028 0.545 1.00 0.00 H new ATOM 937 N TYR A 67 -1.696 -8.378 5.706 1.00 0.00 N ATOM 938 CA TYR A 67 -2.495 -8.640 6.897 1.00 0.00 C ATOM 939 C TYR A 67 -1.611 -9.081 8.060 1.00 0.00 C ATOM 940 O TYR A 67 -0.450 -9.446 7.870 1.00 0.00 O ATOM 941 CB TYR A 67 -3.546 -9.713 6.606 1.00 0.00 C ATOM 942 CG TYR A 67 -4.317 -9.475 5.328 1.00 0.00 C ATOM 943 CD1 TYR A 67 -3.762 -9.780 4.091 1.00 0.00 C ATOM 944 CD2 TYR A 67 -5.601 -8.945 5.357 1.00 0.00 C ATOM 945 CE1 TYR A 67 -4.462 -9.562 2.921 1.00 0.00 C ATOM 946 CE2 TYR A 67 -6.310 -8.726 4.191 1.00 0.00 C ATOM 947 CZ TYR A 67 -5.736 -9.035 2.976 1.00 0.00 C ATOM 948 OH TYR A 67 -6.437 -8.819 1.812 1.00 0.00 O ATOM 0 H TYR A 67 -1.027 -9.113 5.477 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.998 -7.714 7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.055 -10.684 6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.247 -9.759 7.440 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.766 -10.195 4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.053 -8.700 6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.015 -9.803 1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.308 -8.315 4.231 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.317 -8.445 2.025 1.00 0.00 H new ATOM 958 N CYS A 68 -2.168 -9.044 9.266 1.00 0.00 N ATOM 959 CA CYS A 68 -1.433 -9.439 10.461 1.00 0.00 C ATOM 960 C CYS A 68 -1.263 -10.954 10.519 1.00 0.00 C ATOM 961 O CYS A 68 -1.895 -11.691 9.761 1.00 0.00 O ATOM 962 CB CYS A 68 -2.157 -8.947 11.716 1.00 0.00 C ATOM 963 SG CYS A 68 -3.784 -9.722 11.987 1.00 0.00 S ATOM 0 H CYS A 68 -3.127 -8.744 9.441 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.444 -8.982 10.417 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -1.526 -9.137 12.585 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.288 -7.867 11.647 1.00 0.00 H new ATOM 968 N LEU A 69 -0.405 -11.413 11.424 1.00 0.00 N ATOM 969 CA LEU A 69 -0.151 -12.841 11.582 1.00 0.00 C ATOM 970 C LEU A 69 -1.288 -13.515 12.343 1.00 0.00 C ATOM 971 O LEU A 69 -1.146 -14.640 12.820 1.00 0.00 O ATOM 972 CB LEU A 69 1.173 -13.065 12.316 1.00 0.00 C ATOM 973 CG LEU A 69 2.379 -12.296 11.776 1.00 0.00 C ATOM 974 CD1 LEU A 69 3.648 -12.717 12.500 1.00 0.00 C ATOM 975 CD2 LEU A 69 2.521 -12.511 10.276 1.00 0.00 C ATOM 0 H LEU A 69 0.126 -10.817 12.059 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.089 -13.286 10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.035 -12.795 13.363 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.405 -14.130 12.289 1.00 0.00 H new ATOM 0 HG LEU A 69 2.218 -11.233 11.956 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.496 -12.159 12.102 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.545 -12.510 13.565 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.814 -13.784 12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.384 -11.956 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.659 -13.573 10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.622 -12.158 9.771 1.00 0.00 H new ATOM 987 N GLN A 70 -2.416 -12.820 12.449 1.00 0.00 N ATOM 988 CA GLN A 70 -3.578 -13.353 13.150 1.00 0.00 C ATOM 989 C GLN A 70 -4.803 -13.365 12.242 1.00 0.00 C ATOM 990 O GLN A 70 -5.778 -14.070 12.506 1.00 0.00 O ATOM 991 CB GLN A 70 -3.866 -12.527 14.405 1.00 0.00 C ATOM 992 CG GLN A 70 -5.177 -12.889 15.084 1.00 0.00 C ATOM 993 CD GLN A 70 -5.129 -14.245 15.760 1.00 0.00 C ATOM 994 OE1 GLN A 70 -4.115 -14.623 16.347 1.00 0.00 O ATOM 995 NE2 GLN A 70 -6.229 -14.985 15.683 1.00 0.00 N ATOM 0 H GLN A 70 -2.550 -11.887 12.059 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.356 -14.379 13.443 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.050 -12.663 15.114 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.884 -11.470 14.138 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.421 -12.127 15.824 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.978 -12.884 14.345 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.047 -14.632 15.186 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.256 -15.906 16.121 1.00 0.00 H new ATOM 1004 N HIS A 71 -4.748 -12.579 11.171 1.00 0.00 N ATOM 1005 CA HIS A 71 -5.854 -12.500 10.223 1.00 0.00 C ATOM 1006 C HIS A 71 -5.420 -12.978 8.841 1.00 0.00 C ATOM 1007 O HIS A 71 -6.254 -13.313 7.999 1.00 0.00 O ATOM 1008 CB HIS A 71 -6.378 -11.066 10.138 1.00 0.00 C ATOM 1009 CG HIS A 71 -7.266 -10.684 11.282 1.00 0.00 C ATOM 1010 ND1 HIS A 71 -7.647 -9.384 11.538 1.00 0.00 N ATOM 1011 CD2 HIS A 71 -7.850 -11.441 12.240 1.00 0.00 C ATOM 1012 CE1 HIS A 71 -8.426 -9.357 12.605 1.00 0.00 C ATOM 1013 NE2 HIS A 71 -8.565 -10.593 13.050 1.00 0.00 N ATOM 0 H HIS A 71 -3.950 -11.988 10.938 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.653 -13.151 10.579 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.532 -10.380 10.101 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.928 -10.944 9.205 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.769 -12.513 12.348 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.873 -8.475 13.039 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.114 -10.872 13.863 1.00 0.00 H new ATOM 1021 N LEU A 72 -4.112 -13.007 8.614 1.00 0.00 N ATOM 1022 CA LEU A 72 -3.567 -13.444 7.333 1.00 0.00 C ATOM 1023 C LEU A 72 -4.181 -14.773 6.905 1.00 0.00 C ATOM 1024 O LEU A 72 -4.008 -15.803 7.556 1.00 0.00 O ATOM 1025 CB LEU A 72 -2.046 -13.578 7.423 1.00 0.00 C ATOM 1026 CG LEU A 72 -1.316 -13.832 6.103 1.00 0.00 C ATOM 1027 CD1 LEU A 72 -0.916 -12.517 5.452 1.00 0.00 C ATOM 1028 CD2 LEU A 72 -0.093 -14.710 6.331 1.00 0.00 C ATOM 0 H LEU A 72 -3.409 -12.733 9.300 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.816 -12.692 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.646 -12.666 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.813 -14.394 8.107 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.995 -14.355 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.398 -12.718 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.808 -11.923 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.255 -11.966 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.414 -14.881 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.588 -14.213 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.405 -15.666 6.753 1.00 0.00 H new ATOM 1040 N PRO A 73 -4.915 -14.752 5.782 1.00 0.00 N ATOM 1041 CA PRO A 73 -5.568 -15.947 5.240 1.00 0.00 C ATOM 1042 C PRO A 73 -4.565 -16.952 4.683 1.00 0.00 C ATOM 1043 O PRO A 73 -3.356 -16.782 4.831 1.00 0.00 O ATOM 1044 CB PRO A 73 -6.449 -15.392 4.118 1.00 0.00 C ATOM 1045 CG PRO A 73 -5.786 -14.123 3.708 1.00 0.00 C ATOM 1046 CD PRO A 73 -5.164 -13.559 4.956 1.00 0.00 C ATOM 0 HA PRO A 73 -6.122 -16.492 6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.515 -16.091 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.466 -15.213 4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.031 -14.307 2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.507 -13.426 3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.241 -13.022 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.831 -12.857 5.455 1.00 0.00 H new ATOM 1054 N GLN A 74 -5.077 -17.997 4.041 1.00 0.00 N ATOM 1055 CA GLN A 74 -4.225 -19.029 3.461 1.00 0.00 C ATOM 1056 C GLN A 74 -4.937 -19.744 2.318 1.00 0.00 C ATOM 1057 O GLN A 74 -6.046 -20.253 2.483 1.00 0.00 O ATOM 1058 CB GLN A 74 -3.813 -20.041 4.532 1.00 0.00 C ATOM 1059 CG GLN A 74 -2.511 -19.688 5.233 1.00 0.00 C ATOM 1060 CD GLN A 74 -1.327 -19.665 4.286 1.00 0.00 C ATOM 1061 OE1 GLN A 74 -0.700 -20.694 4.033 1.00 0.00 O ATOM 1062 NE2 GLN A 74 -1.015 -18.488 3.757 1.00 0.00 N ATOM 0 H GLN A 74 -6.077 -18.152 3.909 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.332 -18.546 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.607 -20.115 5.275 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.714 -21.024 4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.611 -18.712 5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.323 -20.411 6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.562 -17.661 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.228 -18.411 3.113 1.00 0.00 H new ATOM 1071 N THR A 75 -4.293 -19.778 1.155 1.00 0.00 N ATOM 1072 CA THR A 75 -4.865 -20.428 -0.017 1.00 0.00 C ATOM 1073 C THR A 75 -4.867 -21.944 0.142 1.00 0.00 C ATOM 1074 O THR A 75 -3.823 -22.590 0.046 1.00 0.00 O ATOM 1075 CB THR A 75 -4.093 -20.059 -1.297 1.00 0.00 C ATOM 1076 OG1 THR A 75 -4.666 -20.728 -2.426 1.00 0.00 O ATOM 1077 CG2 THR A 75 -2.624 -20.434 -1.171 1.00 0.00 C ATOM 0 H THR A 75 -3.374 -19.362 1.000 1.00 0.00 H new ATOM 0 HA THR A 75 -5.892 -20.073 -0.106 1.00 0.00 H new ATOM 0 HB THR A 75 -4.165 -18.981 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.170 -20.486 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.100 -20.164 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.183 -19.900 -0.329 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.535 -21.508 -1.006 1.00 0.00 H new ATOM 1085 N ASP A 76 -6.046 -22.508 0.385 1.00 0.00 N ATOM 1086 CA ASP A 76 -6.184 -23.949 0.555 1.00 0.00 C ATOM 1087 C ASP A 76 -7.274 -24.502 -0.358 1.00 0.00 C ATOM 1088 O ASP A 76 -7.036 -25.425 -1.137 1.00 0.00 O ATOM 1089 CB ASP A 76 -6.503 -24.284 2.013 1.00 0.00 C ATOM 1090 CG ASP A 76 -7.178 -25.633 2.163 1.00 0.00 C ATOM 1091 OD1 ASP A 76 -6.469 -26.660 2.110 1.00 0.00 O ATOM 1092 OD2 ASP A 76 -8.415 -25.662 2.333 1.00 0.00 O ATOM 0 H ASP A 76 -6.920 -21.988 0.469 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.237 -24.415 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.581 -24.276 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.149 -23.510 2.428 1.00 0.00 H new ATOM 1097 N SER A 77 -8.470 -23.933 -0.255 1.00 0.00 N ATOM 1098 CA SER A 77 -9.598 -24.372 -1.067 1.00 0.00 C ATOM 1099 C SER A 77 -9.262 -24.292 -2.553 1.00 0.00 C ATOM 1100 O SER A 77 -8.248 -23.713 -2.941 1.00 0.00 O ATOM 1101 CB SER A 77 -10.833 -23.521 -0.766 1.00 0.00 C ATOM 1102 OG SER A 77 -11.094 -23.476 0.627 1.00 0.00 O ATOM 0 H SER A 77 -8.683 -23.166 0.383 1.00 0.00 H new ATOM 0 HA SER A 77 -9.811 -25.411 -0.816 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.683 -22.510 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.697 -23.931 -1.288 1.00 0.00 H new ATOM 0 HG SER A 77 -11.887 -22.925 0.794 1.00 0.00 H new ATOM 1108 N GLY A 78 -10.122 -24.878 -3.381 1.00 0.00 N ATOM 1109 CA GLY A 78 -9.899 -24.862 -4.815 1.00 0.00 C ATOM 1110 C GLY A 78 -9.442 -26.206 -5.346 1.00 0.00 C ATOM 1111 O GLY A 78 -8.464 -26.785 -4.872 1.00 0.00 O ATOM 0 H GLY A 78 -10.969 -25.363 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.820 -24.570 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.151 -24.107 -5.055 1.00 0.00 H new ATOM 1115 N PRO A 79 -10.161 -26.725 -6.352 1.00 0.00 N ATOM 1116 CA PRO A 79 -9.843 -28.016 -6.969 1.00 0.00 C ATOM 1117 C PRO A 79 -8.555 -27.968 -7.783 1.00 0.00 C ATOM 1118 O PRO A 79 -8.207 -26.934 -8.353 1.00 0.00 O ATOM 1119 CB PRO A 79 -11.044 -28.278 -7.882 1.00 0.00 C ATOM 1120 CG PRO A 79 -11.586 -26.926 -8.192 1.00 0.00 C ATOM 1121 CD PRO A 79 -11.339 -26.090 -6.967 1.00 0.00 C ATOM 0 HA PRO A 79 -9.679 -28.794 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -10.744 -28.802 -8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -11.790 -28.899 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.091 -26.497 -9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.650 -26.976 -8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -11.146 -25.048 -7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -12.197 -26.099 -6.295 1.00 0.00 H new ATOM 1129 N SER A 80 -7.851 -29.094 -7.835 1.00 0.00 N ATOM 1130 CA SER A 80 -6.599 -29.179 -8.578 1.00 0.00 C ATOM 1131 C SER A 80 -6.723 -28.489 -9.933 1.00 0.00 C ATOM 1132 O SER A 80 -7.825 -28.179 -10.385 1.00 0.00 O ATOM 1133 CB SER A 80 -6.196 -30.642 -8.773 1.00 0.00 C ATOM 1134 OG SER A 80 -5.752 -31.216 -7.556 1.00 0.00 O ATOM 0 H SER A 80 -8.126 -29.960 -7.372 1.00 0.00 H new ATOM 0 HA SER A 80 -5.827 -28.670 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.045 -31.208 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.405 -30.708 -9.520 1.00 0.00 H new ATOM 0 HG SER A 80 -5.502 -32.151 -7.707 1.00 0.00 H new ATOM 1140 N SER A 81 -5.584 -28.251 -10.575 1.00 0.00 N ATOM 1141 CA SER A 81 -5.563 -27.594 -11.876 1.00 0.00 C ATOM 1142 C SER A 81 -6.695 -28.105 -12.761 1.00 0.00 C ATOM 1143 O SER A 81 -7.373 -27.328 -13.432 1.00 0.00 O ATOM 1144 CB SER A 81 -4.217 -27.825 -12.567 1.00 0.00 C ATOM 1145 OG SER A 81 -3.950 -26.809 -13.518 1.00 0.00 O ATOM 0 H SER A 81 -4.664 -28.503 -10.215 1.00 0.00 H new ATOM 0 HA SER A 81 -5.703 -26.525 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.422 -27.848 -11.822 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.220 -28.797 -13.060 1.00 0.00 H new ATOM 0 HG SER A 81 -3.084 -26.979 -13.944 1.00 0.00 H new ATOM 1151 N GLY A 82 -6.894 -29.420 -12.757 1.00 0.00 N ATOM 1152 CA GLY A 82 -7.945 -30.013 -13.563 1.00 0.00 C ATOM 1153 C GLY A 82 -7.528 -30.210 -15.007 1.00 0.00 C ATOM 1154 O GLY A 82 -7.774 -29.326 -15.827 1.00 0.00 O ATOM 0 H GLY A 82 -6.346 -30.085 -12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.227 -30.975 -13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.829 -29.376 -13.527 1.00 0.00 H new TER 1158 GLY A 82 HETATM 1159 ZN ZN A 201 -0.437 7.687 4.708 1.00 0.00 ZN HETATM 1160 ZN ZN A 401 -5.578 -8.271 11.633 1.00 0.00 ZN