USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 hydrogens (2 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 38 HIS : no HD1:sc= -0.0491 K(o=0.89,f=0.33) USER MOD Set 1.2: A 49 THR OG1 : rot -48:sc= 0.94 USER MOD Set 1.3: A 50 HIS : no HD1:sc= 0 X(o=0.89,f=0.86) USER MOD Single : A 1 LYS N :NH3+ -151:sc= 1.02 (180deg=0.496) USER MOD Single : A 1 LYS NZ :NH3+ 170:sc= 0.876 (180deg=0.793) USER MOD Single : A 4 TYR OH : rot -150:sc= 0.412 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 4:sc= 1.28 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc=-0.00169 (180deg=-0.082) USER MOD Single : A 22 ASN : amide:sc= 0.393 X(o=0.39,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 173:sc= 1.19 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 35 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 36 SER OG : rot -9:sc= 0.111 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.475 31.909 31.507 1.00 0.00 N ATOM 2 CA LYS A 1 13.641 32.540 32.165 1.00 0.00 C ATOM 3 C LYS A 1 14.604 33.082 31.107 1.00 0.00 C ATOM 4 O LYS A 1 14.749 32.479 30.048 1.00 0.00 O ATOM 5 CB LYS A 1 14.312 31.528 33.110 1.00 0.00 C ATOM 6 CG LYS A 1 15.288 32.133 34.133 1.00 0.00 C ATOM 7 CD LYS A 1 15.669 31.050 35.154 1.00 0.00 C ATOM 8 CE LYS A 1 16.590 31.554 36.267 1.00 0.00 C ATOM 9 NZ LYS A 1 16.714 30.546 37.351 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.643 31.987 32.126 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.282 32.391 30.606 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.679 30.905 31.326 1.00 0.00 H new ATOM 0 HA LYS A 1 13.319 33.387 32.771 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.534 30.988 33.650 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.850 30.795 32.509 1.00 0.00 H new ATOM 0 HG2 LYS A 1 16.179 32.507 33.629 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.827 32.982 34.638 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.760 30.648 35.601 1.00 0.00 H new ATOM 0 HD3 LYS A 1 16.159 30.228 34.633 1.00 0.00 H new ATOM 0 HE2 LYS A 1 17.575 31.775 35.857 1.00 0.00 H new ATOM 0 HE3 LYS A 1 16.198 32.486 36.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 17.468 30.833 38.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.813 30.478 37.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.947 29.620 36.939 1.00 0.00 H new ATOM 25 N GLU A 2 15.271 34.207 31.359 1.00 0.00 N ATOM 26 CA GLU A 2 16.345 34.743 30.501 1.00 0.00 C ATOM 27 C GLU A 2 17.737 34.406 31.070 1.00 0.00 C ATOM 28 O GLU A 2 17.910 34.361 32.294 1.00 0.00 O ATOM 29 CB GLU A 2 16.199 36.265 30.328 1.00 0.00 C ATOM 30 CG GLU A 2 14.956 36.710 29.541 1.00 0.00 C ATOM 31 CD GLU A 2 13.645 36.659 30.338 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.610 36.250 29.755 1.00 0.00 O ATOM 33 OE2 GLU A 2 13.624 37.054 31.532 1.00 0.00 O1- ATOM 0 H GLU A 2 15.083 34.787 32.177 1.00 0.00 H new ATOM 0 HA GLU A 2 16.251 34.269 29.524 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.171 36.727 31.315 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.087 36.645 29.823 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.112 37.729 29.187 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.855 36.078 28.659 1.00 0.00 H new ATOM 40 N GLY A 3 18.741 34.187 30.213 1.00 0.00 N ATOM 41 CA GLY A 3 20.093 33.835 30.663 1.00 0.00 C ATOM 42 C GLY A 3 21.190 34.011 29.614 1.00 0.00 C ATOM 43 O GLY A 3 20.944 34.023 28.413 1.00 0.00 O ATOM 0 H GLY A 3 18.642 34.248 29.200 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.341 34.445 31.532 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.091 32.796 30.993 1.00 0.00 H new ATOM 47 N TYR A 4 22.425 34.139 30.081 1.00 0.00 N ATOM 48 CA TYR A 4 23.633 34.305 29.273 1.00 0.00 C ATOM 49 C TYR A 4 24.027 33.014 28.527 1.00 0.00 C ATOM 50 O TYR A 4 23.643 31.912 28.931 1.00 0.00 O ATOM 51 CB TYR A 4 24.724 34.808 30.233 1.00 0.00 C ATOM 52 CG TYR A 4 26.134 34.774 29.700 1.00 0.00 C ATOM 53 CD1 TYR A 4 26.565 35.728 28.759 1.00 0.00 C ATOM 54 CD2 TYR A 4 27.005 33.758 30.132 1.00 0.00 C ATOM 55 CE1 TYR A 4 27.880 35.670 28.258 1.00 0.00 C ATOM 56 CE2 TYR A 4 28.316 33.697 29.631 1.00 0.00 C ATOM 57 CZ TYR A 4 28.758 34.657 28.701 1.00 0.00 C ATOM 58 OH TYR A 4 30.038 34.605 28.262 1.00 0.00 O ATOM 0 H TYR A 4 22.625 34.130 31.081 1.00 0.00 H new ATOM 0 HA TYR A 4 23.472 35.026 28.472 1.00 0.00 H new ATOM 0 HB2 TYR A 4 24.487 35.834 30.516 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.685 34.209 31.143 1.00 0.00 H new ATOM 0 HD1 TYR A 4 25.890 36.501 28.423 1.00 0.00 H new ATOM 0 HD2 TYR A 4 26.666 33.025 30.849 1.00 0.00 H new ATOM 0 HE1 TYR A 4 28.216 36.399 27.536 1.00 0.00 H new ATOM 0 HE2 TYR A 4 28.984 32.914 29.959 1.00 0.00 H new ATOM 0 HH TYR A 4 30.343 33.674 28.252 1.00 0.00 H new ATOM 68 N LEU A 5 24.819 33.130 27.454 1.00 0.00 N ATOM 69 CA LEU A 5 25.461 32.004 26.760 1.00 0.00 C ATOM 70 C LEU A 5 26.545 31.335 27.644 1.00 0.00 C ATOM 71 O LEU A 5 27.741 31.575 27.485 1.00 0.00 O ATOM 72 CB LEU A 5 26.005 32.509 25.408 1.00 0.00 C ATOM 73 CG LEU A 5 26.575 31.391 24.511 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.460 30.562 23.866 1.00 0.00 C ATOM 75 CD2 LEU A 5 27.443 31.975 23.397 1.00 0.00 C ATOM 0 H LEU A 5 25.038 34.033 27.033 1.00 0.00 H new ATOM 0 HA LEU A 5 24.731 31.219 26.564 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.205 33.019 24.872 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.785 33.247 25.593 1.00 0.00 H new ATOM 0 HG LEU A 5 27.175 30.749 25.156 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.900 29.784 23.241 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.852 30.102 24.645 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.834 31.209 23.252 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.833 31.167 22.778 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.843 32.646 22.782 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.273 32.530 23.835 1.00 0.00 H new ATOM 87 N VAL A 6 26.092 30.512 28.594 1.00 0.00 N ATOM 88 CA VAL A 6 26.886 29.866 29.654 1.00 0.00 C ATOM 89 C VAL A 6 28.100 29.088 29.124 1.00 0.00 C ATOM 90 O VAL A 6 28.085 28.583 28.004 1.00 0.00 O ATOM 91 CB VAL A 6 25.956 28.980 30.518 1.00 0.00 C ATOM 92 CG1 VAL A 6 25.522 27.693 29.806 1.00 0.00 C ATOM 93 CG2 VAL A 6 26.575 28.597 31.867 1.00 0.00 C ATOM 0 H VAL A 6 25.105 30.262 28.651 1.00 0.00 H new ATOM 0 HA VAL A 6 27.315 30.652 30.275 1.00 0.00 H new ATOM 0 HB VAL A 6 25.081 29.607 30.691 1.00 0.00 H new ATOM 0 HG11 VAL A 6 24.872 27.115 30.463 1.00 0.00 H new ATOM 0 HG12 VAL A 6 24.983 27.946 28.893 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.402 27.101 29.555 1.00 0.00 H new ATOM 0 HG21 VAL A 6 25.874 27.976 32.426 1.00 0.00 H new ATOM 0 HG22 VAL A 6 27.498 28.042 31.699 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.793 29.500 32.437 1.00 0.00 H new ATOM 103 N ASP A 7 29.156 28.966 29.930 1.00 0.00 N ATOM 104 CA ASP A 7 30.312 28.107 29.654 1.00 0.00 C ATOM 105 C ASP A 7 30.979 27.645 30.960 1.00 0.00 C ATOM 106 O ASP A 7 30.961 28.346 31.973 1.00 0.00 O ATOM 107 CB ASP A 7 31.299 28.853 28.739 1.00 0.00 C ATOM 108 CG ASP A 7 32.350 27.969 28.051 1.00 0.00 C ATOM 109 OD1 ASP A 7 32.436 26.756 28.335 1.00 0.00 O ATOM 110 OD2 ASP A 7 33.082 28.477 27.170 1.00 0.00 O1- ATOM 0 H ASP A 7 29.234 29.472 30.812 1.00 0.00 H new ATOM 0 HA ASP A 7 29.977 27.208 29.137 1.00 0.00 H new ATOM 0 HB2 ASP A 7 30.731 29.379 27.971 1.00 0.00 H new ATOM 0 HB3 ASP A 7 31.815 29.611 29.329 1.00 0.00 H new ATOM 115 N TYR A 8 31.593 26.467 30.927 1.00 0.00 N ATOM 116 CA TYR A 8 32.455 25.937 31.995 1.00 0.00 C ATOM 117 C TYR A 8 33.921 26.371 31.830 1.00 0.00 C ATOM 118 O TYR A 8 34.666 26.412 32.809 1.00 0.00 O ATOM 119 CB TYR A 8 32.372 24.400 32.002 1.00 0.00 C ATOM 120 CG TYR A 8 32.836 23.728 30.723 1.00 0.00 C ATOM 121 CD1 TYR A 8 31.941 23.593 29.646 1.00 0.00 C ATOM 122 CD2 TYR A 8 34.160 23.264 30.596 1.00 0.00 C ATOM 123 CE1 TYR A 8 32.378 23.049 28.426 1.00 0.00 C ATOM 124 CE2 TYR A 8 34.595 22.701 29.381 1.00 0.00 C ATOM 125 CZ TYR A 8 33.709 22.610 28.286 1.00 0.00 C ATOM 126 OH TYR A 8 34.122 22.072 27.112 1.00 0.00 O ATOM 0 H TYR A 8 31.506 25.830 30.135 1.00 0.00 H new ATOM 0 HA TYR A 8 32.097 26.343 32.941 1.00 0.00 H new ATOM 0 HB2 TYR A 8 32.970 24.022 32.831 1.00 0.00 H new ATOM 0 HB3 TYR A 8 31.340 24.108 32.195 1.00 0.00 H new ATOM 0 HD1 TYR A 8 30.914 23.909 29.757 1.00 0.00 H new ATOM 0 HD2 TYR A 8 34.841 23.340 31.431 1.00 0.00 H new ATOM 0 HE1 TYR A 8 31.693 22.968 27.595 1.00 0.00 H new ATOM 0 HE2 TYR A 8 35.608 22.338 29.287 1.00 0.00 H new ATOM 0 HH TYR A 8 35.067 21.822 27.181 1.00 0.00 H new ATOM 136 N HIS A 9 34.359 26.664 30.601 1.00 0.00 N ATOM 137 CA HIS A 9 35.775 26.874 30.279 1.00 0.00 C ATOM 138 C HIS A 9 36.355 28.190 30.814 1.00 0.00 C ATOM 139 O HIS A 9 37.522 28.225 31.220 1.00 0.00 O ATOM 140 CB HIS A 9 35.932 26.796 28.760 1.00 0.00 C ATOM 141 CG HIS A 9 37.367 26.865 28.320 1.00 0.00 C ATOM 142 ND1 HIS A 9 38.268 25.801 28.381 1.00 0.00 N ATOM 143 CD2 HIS A 9 38.011 27.976 27.869 1.00 0.00 C ATOM 144 CE1 HIS A 9 39.444 26.307 27.968 1.00 0.00 C ATOM 145 NE2 HIS A 9 39.315 27.605 27.650 1.00 0.00 N ATOM 0 H HIS A 9 33.738 26.763 29.798 1.00 0.00 H new ATOM 0 HA HIS A 9 36.346 26.092 30.780 1.00 0.00 H new ATOM 0 HB2 HIS A 9 35.491 25.866 28.401 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.376 27.612 28.299 1.00 0.00 H new ATOM 0 HD2 HIS A 9 37.582 28.955 27.714 1.00 0.00 H new ATOM 0 HE1 HIS A 9 40.365 25.747 27.901 1.00 0.00 H new ATOM 0 HE2 HIS A 9 40.059 28.212 27.305 1.00 0.00 H new ATOM 153 N THR A 10 35.556 29.261 30.828 1.00 0.00 N ATOM 154 CA THR A 10 35.973 30.599 31.274 1.00 0.00 C ATOM 155 C THR A 10 34.811 31.448 31.796 1.00 0.00 C ATOM 156 O THR A 10 33.659 31.292 31.382 1.00 0.00 O ATOM 157 CB THR A 10 36.730 31.358 30.165 1.00 0.00 C ATOM 158 OG1 THR A 10 37.159 32.614 30.648 1.00 0.00 O ATOM 159 CG2 THR A 10 35.882 31.638 28.922 1.00 0.00 C ATOM 0 H THR A 10 34.583 29.224 30.525 1.00 0.00 H new ATOM 0 HA THR A 10 36.651 30.431 32.111 1.00 0.00 H new ATOM 0 HB THR A 10 37.560 30.708 29.886 1.00 0.00 H new ATOM 0 HG1 THR A 10 37.640 33.090 29.939 1.00 0.00 H new ATOM 0 HG21 THR A 10 36.481 32.174 28.186 1.00 0.00 H new ATOM 0 HG22 THR A 10 35.541 30.695 28.495 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.020 32.244 29.199 1.00 0.00 H new ATOM 167 N GLY A 11 35.130 32.378 32.699 1.00 0.00 N ATOM 168 CA GLY A 11 34.218 33.425 33.166 1.00 0.00 C ATOM 169 C GLY A 11 34.134 34.668 32.264 1.00 0.00 C ATOM 170 O GLY A 11 33.363 35.573 32.583 1.00 0.00 O ATOM 0 H GLY A 11 36.051 32.425 33.136 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.220 32.998 33.264 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.530 33.739 34.162 1.00 0.00 H new ATOM 174 N CYS A 12 34.927 34.772 31.188 1.00 0.00 N ATOM 175 CA CYS A 12 34.912 35.941 30.298 1.00 0.00 C ATOM 176 C CYS A 12 33.711 35.954 29.328 1.00 0.00 C ATOM 177 O CYS A 12 33.269 34.901 28.854 1.00 0.00 O ATOM 178 CB CYS A 12 36.243 36.061 29.540 1.00 0.00 C ATOM 179 SG CYS A 12 37.519 37.013 30.411 1.00 0.00 S ATOM 0 H CYS A 12 35.594 34.051 30.911 1.00 0.00 H new ATOM 0 HA CYS A 12 34.790 36.817 30.935 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.626 35.060 29.342 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.056 36.528 28.573 1.00 0.00 H new ATOM 184 N LYS A 13 33.200 37.153 29.015 1.00 0.00 N ATOM 185 CA LYS A 13 31.997 37.407 28.197 1.00 0.00 C ATOM 186 C LYS A 13 32.147 37.068 26.697 1.00 0.00 C ATOM 187 O LYS A 13 33.011 37.610 26.009 1.00 0.00 O ATOM 188 CB LYS A 13 31.540 38.867 28.430 1.00 0.00 C ATOM 189 CG LYS A 13 32.533 39.939 27.929 1.00 0.00 C ATOM 190 CD LYS A 13 32.373 41.305 28.613 1.00 0.00 C ATOM 191 CE LYS A 13 31.052 42.001 28.265 1.00 0.00 C ATOM 192 NZ LYS A 13 30.936 43.315 28.939 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.633 38.018 29.340 1.00 0.00 H new ATOM 0 HA LYS A 13 31.224 36.715 28.531 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.582 39.018 27.933 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.373 39.016 29.497 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.550 39.581 28.089 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.404 40.065 26.854 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.434 41.173 29.693 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.203 41.949 28.324 1.00 0.00 H new ATOM 0 HE2 LYS A 13 30.985 42.138 27.186 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.216 41.365 28.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.031 43.758 28.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.975 43.181 29.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 31.720 43.929 28.639 1.00 0.00 H new ATOM 206 N TYR A 14 31.254 36.224 26.169 1.00 0.00 N ATOM 207 CA TYR A 14 31.118 35.934 24.733 1.00 0.00 C ATOM 208 C TYR A 14 30.321 37.038 24.004 1.00 0.00 C ATOM 209 O TYR A 14 29.087 37.081 24.029 1.00 0.00 O ATOM 210 CB TYR A 14 30.525 34.529 24.522 1.00 0.00 C ATOM 211 CG TYR A 14 31.483 33.401 24.879 1.00 0.00 C ATOM 212 CD1 TYR A 14 31.238 32.559 25.983 1.00 0.00 C ATOM 213 CD2 TYR A 14 32.638 33.195 24.095 1.00 0.00 C ATOM 214 CE1 TYR A 14 32.168 31.558 26.333 1.00 0.00 C ATOM 215 CE2 TYR A 14 33.559 32.185 24.435 1.00 0.00 C ATOM 216 CZ TYR A 14 33.336 31.373 25.566 1.00 0.00 C ATOM 217 OH TYR A 14 34.253 30.438 25.920 1.00 0.00 O ATOM 0 H TYR A 14 30.586 35.708 26.742 1.00 0.00 H new ATOM 0 HA TYR A 14 32.111 35.935 24.283 1.00 0.00 H new ATOM 0 HB2 TYR A 14 29.622 34.431 25.124 1.00 0.00 H new ATOM 0 HB3 TYR A 14 30.226 34.423 23.479 1.00 0.00 H new ATOM 0 HD1 TYR A 14 30.335 32.681 26.563 1.00 0.00 H new ATOM 0 HD2 TYR A 14 32.817 33.815 23.229 1.00 0.00 H new ATOM 0 HE1 TYR A 14 31.984 30.930 27.193 1.00 0.00 H new ATOM 0 HE2 TYR A 14 34.439 32.032 23.828 1.00 0.00 H new ATOM 0 HH TYR A 14 33.925 29.935 26.694 1.00 0.00 H new ATOM 227 N THR A 15 31.053 37.948 23.358 1.00 0.00 N ATOM 228 CA THR A 15 30.549 39.083 22.564 1.00 0.00 C ATOM 229 C THR A 15 30.068 38.670 21.168 1.00 0.00 C ATOM 230 O THR A 15 30.486 37.637 20.633 1.00 0.00 O ATOM 231 CB THR A 15 31.625 40.178 22.436 1.00 0.00 C ATOM 232 OG1 THR A 15 32.883 39.637 22.084 1.00 0.00 O ATOM 233 CG2 THR A 15 31.821 40.917 23.758 1.00 0.00 C ATOM 0 H THR A 15 32.072 37.915 23.372 1.00 0.00 H new ATOM 0 HA THR A 15 29.686 39.473 23.104 1.00 0.00 H new ATOM 0 HB THR A 15 31.270 40.855 21.659 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.541 40.360 22.010 1.00 0.00 H new ATOM 0 HG21 THR A 15 32.586 41.684 23.636 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.883 41.385 24.056 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.134 40.211 24.527 1.00 0.00 H new ATOM 241 N CYS A 16 29.202 39.484 20.556 1.00 0.00 N ATOM 242 CA CYS A 16 28.680 39.265 19.204 1.00 0.00 C ATOM 243 C CYS A 16 28.227 40.574 18.504 1.00 0.00 C ATOM 244 O CYS A 16 28.917 41.599 18.570 1.00 0.00 O ATOM 245 CB CYS A 16 27.621 38.143 19.273 1.00 0.00 C ATOM 246 SG CYS A 16 26.207 38.311 20.408 1.00 0.00 S ATOM 0 H CYS A 16 28.838 40.329 20.995 1.00 0.00 H new ATOM 0 HA CYS A 16 29.476 38.924 18.543 1.00 0.00 H new ATOM 0 HB2 CYS A 16 27.219 38.011 18.268 1.00 0.00 H new ATOM 0 HB3 CYS A 16 28.140 37.220 19.532 1.00 0.00 H new ATOM 251 N ALA A 17 27.122 40.501 17.759 1.00 0.00 N ATOM 252 CA ALA A 17 26.526 41.536 16.917 1.00 0.00 C ATOM 253 C ALA A 17 25.937 42.733 17.701 1.00 0.00 C ATOM 254 O ALA A 17 25.975 42.782 18.934 1.00 0.00 O ATOM 255 CB ALA A 17 25.468 40.817 16.065 1.00 0.00 C ATOM 0 H ALA A 17 26.575 39.641 17.728 1.00 0.00 H new ATOM 0 HA ALA A 17 27.295 42.004 16.302 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.980 41.537 15.408 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.948 40.044 15.464 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.725 40.360 16.718 1.00 0.00 H new ATOM 261 N LYS A 18 25.393 43.716 16.973 1.00 0.00 N ATOM 262 CA LYS A 18 24.739 44.906 17.543 1.00 0.00 C ATOM 263 C LYS A 18 23.409 44.567 18.220 1.00 0.00 C ATOM 264 O LYS A 18 22.839 43.489 18.048 1.00 0.00 O ATOM 265 CB LYS A 18 24.589 46.006 16.474 1.00 0.00 C ATOM 266 CG LYS A 18 25.972 46.434 15.965 1.00 0.00 C ATOM 267 CD LYS A 18 25.929 47.632 15.010 1.00 0.00 C ATOM 268 CE LYS A 18 27.302 47.874 14.364 1.00 0.00 C ATOM 269 NZ LYS A 18 28.383 48.052 15.366 1.00 0.00 N1+ ATOM 0 H LYS A 18 25.394 43.709 15.953 1.00 0.00 H new ATOM 0 HA LYS A 18 25.384 45.296 18.331 1.00 0.00 H new ATOM 0 HB2 LYS A 18 23.985 45.639 15.645 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.065 46.864 16.894 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.603 46.682 16.818 1.00 0.00 H new ATOM 0 HG3 LYS A 18 26.440 45.591 15.457 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.184 47.456 14.234 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.617 48.524 15.554 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.548 47.033 13.716 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.250 48.759 13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 29.248 48.378 14.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.090 48.758 16.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 28.570 47.145 15.840 1.00 0.00 H new ATOM 283 N LEU A 19 22.913 45.503 19.024 1.00 0.00 N ATOM 284 CA LEU A 19 21.780 45.276 19.921 1.00 0.00 C ATOM 285 C LEU A 19 20.513 44.850 19.160 1.00 0.00 C ATOM 286 O LEU A 19 20.097 45.480 18.183 1.00 0.00 O ATOM 287 CB LEU A 19 21.552 46.520 20.799 1.00 0.00 C ATOM 288 CG LEU A 19 22.809 46.997 21.556 1.00 0.00 C ATOM 289 CD1 LEU A 19 22.460 48.206 22.412 1.00 0.00 C ATOM 290 CD2 LEU A 19 23.404 45.922 22.461 1.00 0.00 C ATOM 0 H LEU A 19 23.289 46.450 19.073 1.00 0.00 H new ATOM 0 HA LEU A 19 22.021 44.439 20.577 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.189 47.333 20.170 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.767 46.302 21.522 1.00 0.00 H new ATOM 0 HG LEU A 19 23.553 47.246 20.800 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.349 48.542 22.946 1.00 0.00 H new ATOM 0 HD12 LEU A 19 22.094 49.010 21.774 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.687 47.933 23.130 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.285 46.318 22.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.665 45.622 23.204 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.688 45.057 21.861 1.00 0.00 H new ATOM 302 N GLY A 20 19.891 43.766 19.622 1.00 0.00 N ATOM 303 CA GLY A 20 18.725 43.132 18.992 1.00 0.00 C ATOM 304 C GLY A 20 19.053 42.103 17.899 1.00 0.00 C ATOM 305 O GLY A 20 18.204 41.255 17.610 1.00 0.00 O ATOM 0 H GLY A 20 20.191 43.287 20.471 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.136 42.641 19.766 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.097 43.911 18.559 1.00 0.00 H new ATOM 309 N ASP A 21 20.265 42.102 17.335 1.00 0.00 N ATOM 310 CA ASP A 21 20.657 41.096 16.342 1.00 0.00 C ATOM 311 C ASP A 21 20.838 39.708 16.981 1.00 0.00 C ATOM 312 O ASP A 21 21.384 39.555 18.078 1.00 0.00 O ATOM 313 CB ASP A 21 21.873 41.528 15.508 1.00 0.00 C ATOM 314 CG ASP A 21 21.605 42.677 14.524 1.00 0.00 C ATOM 315 OD1 ASP A 21 20.511 43.290 14.529 1.00 0.00 O ATOM 316 OD2 ASP A 21 22.483 42.916 13.659 1.00 0.00 O1- ATOM 0 H ASP A 21 20.991 42.786 17.549 1.00 0.00 H new ATOM 0 HA ASP A 21 19.831 41.013 15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.672 41.828 16.186 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.236 40.666 14.948 1.00 0.00 H new ATOM 321 N ASN A 22 20.374 38.686 16.267 1.00 0.00 N ATOM 322 CA ASN A 22 20.166 37.319 16.747 1.00 0.00 C ATOM 323 C ASN A 22 20.709 36.212 15.829 1.00 0.00 C ATOM 324 O ASN A 22 20.963 35.111 16.314 1.00 0.00 O ATOM 325 CB ASN A 22 18.653 37.145 17.000 1.00 0.00 C ATOM 326 CG ASN A 22 17.758 37.653 15.880 1.00 0.00 C ATOM 327 OD1 ASN A 22 17.379 36.927 14.971 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.384 38.911 15.904 1.00 0.00 N ATOM 0 H ASN A 22 20.119 38.793 15.285 1.00 0.00 H new ATOM 0 HA ASN A 22 20.748 37.198 17.661 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.445 36.087 17.161 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.390 37.666 17.921 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.781 39.278 15.168 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.696 39.522 16.659 1.00 0.00 H new ATOM 335 N ASP A 23 20.913 36.478 14.535 1.00 0.00 N ATOM 336 CA ASP A 23 21.241 35.438 13.544 1.00 0.00 C ATOM 337 C ASP A 23 22.492 34.599 13.892 1.00 0.00 C ATOM 338 O ASP A 23 22.461 33.377 13.728 1.00 0.00 O ATOM 339 CB ASP A 23 21.368 36.078 12.152 1.00 0.00 C ATOM 340 CG ASP A 23 20.055 36.693 11.659 1.00 0.00 C ATOM 341 OD1 ASP A 23 19.992 37.932 11.468 1.00 0.00 O ATOM 342 OD2 ASP A 23 19.077 35.943 11.422 1.00 0.00 O1- ATOM 0 H ASP A 23 20.856 37.417 14.142 1.00 0.00 H new ATOM 0 HA ASP A 23 20.417 34.725 13.554 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.137 36.850 12.181 1.00 0.00 H new ATOM 0 HB3 ASP A 23 21.701 35.323 11.439 1.00 0.00 H new ATOM 347 N TYR A 24 23.552 35.225 14.425 1.00 0.00 N ATOM 348 CA TYR A 24 24.746 34.549 14.966 1.00 0.00 C ATOM 349 C TYR A 24 24.503 33.920 16.348 1.00 0.00 C ATOM 350 O TYR A 24 24.842 32.755 16.570 1.00 0.00 O ATOM 351 CB TYR A 24 25.921 35.549 15.010 1.00 0.00 C ATOM 352 CG TYR A 24 27.179 35.084 15.736 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.286 35.232 17.135 1.00 0.00 C ATOM 354 CD2 TYR A 24 28.263 34.547 15.014 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.459 34.833 17.808 1.00 0.00 C ATOM 356 CE2 TYR A 24 29.439 34.150 15.681 1.00 0.00 C ATOM 357 CZ TYR A 24 29.542 34.298 17.080 1.00 0.00 C ATOM 358 OH TYR A 24 30.692 33.948 17.718 1.00 0.00 O ATOM 0 H TYR A 24 23.606 36.241 14.495 1.00 0.00 H new ATOM 0 HA TYR A 24 24.991 33.721 14.301 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.192 35.803 13.985 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.572 36.466 15.484 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.464 35.654 17.694 1.00 0.00 H new ATOM 0 HD2 TYR A 24 28.192 34.439 13.942 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.528 34.937 18.881 1.00 0.00 H new ATOM 0 HE2 TYR A 24 30.262 33.732 15.121 1.00 0.00 H new ATOM 0 HH TYR A 24 31.334 33.596 17.066 1.00 0.00 H new ATOM 368 N CYS A 25 23.923 34.674 17.291 1.00 0.00 N ATOM 369 CA CYS A 25 23.762 34.235 18.683 1.00 0.00 C ATOM 370 C CYS A 25 22.852 32.998 18.818 1.00 0.00 C ATOM 371 O CYS A 25 23.138 32.114 19.628 1.00 0.00 O ATOM 372 CB CYS A 25 23.277 35.429 19.520 1.00 0.00 C ATOM 373 SG CYS A 25 22.767 35.089 21.232 1.00 0.00 S ATOM 0 H CYS A 25 23.552 35.607 17.110 1.00 0.00 H new ATOM 0 HA CYS A 25 24.727 33.903 19.066 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.076 36.170 19.546 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.435 35.886 19.001 1.00 0.00 H new ATOM 378 N VAL A 26 21.818 32.865 17.980 1.00 0.00 N ATOM 379 CA VAL A 26 20.954 31.672 17.939 1.00 0.00 C ATOM 380 C VAL A 26 21.752 30.396 17.674 1.00 0.00 C ATOM 381 O VAL A 26 21.533 29.403 18.370 1.00 0.00 O ATOM 382 CB VAL A 26 19.836 31.853 16.894 1.00 0.00 C ATOM 383 CG1 VAL A 26 19.091 30.558 16.544 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.802 32.834 17.442 1.00 0.00 C ATOM 0 H VAL A 26 21.553 33.584 17.306 1.00 0.00 H new ATOM 0 HA VAL A 26 20.497 31.562 18.922 1.00 0.00 H new ATOM 0 HB VAL A 26 20.326 32.210 15.988 1.00 0.00 H new ATOM 0 HG11 VAL A 26 18.321 30.770 15.803 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.795 29.832 16.138 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.627 30.151 17.442 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.006 32.970 16.710 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.381 32.440 18.367 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.280 33.793 17.640 1.00 0.00 H new ATOM 394 N ARG A 27 22.707 30.416 16.731 1.00 0.00 N ATOM 395 CA ARG A 27 23.499 29.239 16.341 1.00 0.00 C ATOM 396 C ARG A 27 24.365 28.703 17.478 1.00 0.00 C ATOM 397 O ARG A 27 24.495 27.490 17.619 1.00 0.00 O ATOM 398 CB ARG A 27 24.368 29.570 15.120 1.00 0.00 C ATOM 399 CG ARG A 27 23.520 29.939 13.894 1.00 0.00 C ATOM 400 CD ARG A 27 24.303 29.968 12.579 1.00 0.00 C ATOM 401 NE ARG A 27 25.428 30.917 12.634 1.00 0.00 N ATOM 402 CZ ARG A 27 25.501 32.138 12.143 1.00 0.00 C ATOM 403 NH1 ARG A 27 24.546 32.711 11.476 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 26.580 32.819 12.356 1.00 0.00 N ATOM 0 H ARG A 27 22.954 31.259 16.212 1.00 0.00 H new ATOM 0 HA ARG A 27 22.792 28.450 16.086 1.00 0.00 H new ATOM 0 HB2 ARG A 27 25.034 30.398 15.363 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.998 28.714 14.881 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.703 29.224 13.802 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.070 30.918 14.058 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.680 28.969 12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 27 23.634 30.244 11.764 1.00 0.00 H new ATOM 0 HE ARG A 27 26.263 30.585 13.117 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.673 32.212 11.305 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.669 33.660 11.123 1.00 0.00 H new ATOM 0 HH21 ARG A 27 27.345 32.408 12.891 1.00 0.00 H new ATOM 0 HH22 ARG A 27 26.666 33.767 11.989 1.00 0.00 H new ATOM 418 N GLU A 28 24.909 29.587 18.312 1.00 0.00 N ATOM 419 CA GLU A 28 25.587 29.197 19.554 1.00 0.00 C ATOM 420 C GLU A 28 24.592 28.740 20.635 1.00 0.00 C ATOM 421 O GLU A 28 24.817 27.713 21.278 1.00 0.00 O ATOM 422 CB GLU A 28 26.424 30.357 20.118 1.00 0.00 C ATOM 423 CG GLU A 28 27.511 30.923 19.190 1.00 0.00 C ATOM 424 CD GLU A 28 28.753 30.033 19.028 1.00 0.00 C ATOM 425 OE1 GLU A 28 29.772 30.553 18.514 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.738 28.815 19.343 1.00 0.00 O1- ATOM 0 H GLU A 28 24.894 30.594 18.149 1.00 0.00 H new ATOM 0 HA GLU A 28 26.239 28.362 19.296 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.748 31.168 20.388 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.901 30.020 21.038 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.075 31.095 18.206 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.825 31.894 19.573 1.00 0.00 H new ATOM 433 N CYS A 29 23.490 29.476 20.828 1.00 0.00 N ATOM 434 CA CYS A 29 22.518 29.267 21.907 1.00 0.00 C ATOM 435 C CYS A 29 21.842 27.887 21.815 1.00 0.00 C ATOM 436 O CYS A 29 21.768 27.160 22.810 1.00 0.00 O ATOM 437 CB CYS A 29 21.493 30.416 21.861 1.00 0.00 C ATOM 438 SG CYS A 29 20.230 30.380 23.165 1.00 0.00 S ATOM 0 H CYS A 29 23.244 30.256 20.219 1.00 0.00 H new ATOM 0 HA CYS A 29 23.033 29.276 22.868 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.030 31.363 21.924 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.993 30.397 20.893 1.00 0.00 H new ATOM 443 N ARG A 30 21.437 27.485 20.599 1.00 0.00 N ATOM 444 CA ARG A 30 20.812 26.183 20.294 1.00 0.00 C ATOM 445 C ARG A 30 21.744 24.969 20.435 1.00 0.00 C ATOM 446 O ARG A 30 21.276 23.830 20.473 1.00 0.00 O ATOM 447 CB ARG A 30 20.135 26.267 18.914 1.00 0.00 C ATOM 448 CG ARG A 30 21.119 26.222 17.732 1.00 0.00 C ATOM 449 CD ARG A 30 20.421 26.488 16.391 1.00 0.00 C ATOM 450 NE ARG A 30 19.575 25.344 16.026 1.00 0.00 N ATOM 451 CZ ARG A 30 18.601 25.286 15.144 1.00 0.00 C ATOM 452 NH1 ARG A 30 18.291 26.281 14.367 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 17.914 24.190 15.035 1.00 0.00 N ATOM 0 H ARG A 30 21.538 28.075 19.773 1.00 0.00 H new ATOM 0 HA ARG A 30 20.058 25.995 21.058 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.428 25.443 18.817 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.558 27.190 18.859 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.904 26.963 17.885 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.604 25.246 17.701 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.814 27.391 16.461 1.00 0.00 H new ATOM 0 HD3 ARG A 30 21.165 26.663 15.614 1.00 0.00 H new ATOM 0 HE ARG A 30 19.769 24.476 16.525 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.812 27.156 14.426 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.526 26.187 13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.133 23.390 15.629 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.155 24.129 14.356 1.00 0.00 H new ATOM 467 N LEU A 31 23.056 25.203 20.534 1.00 0.00 N ATOM 468 CA LEU A 31 24.060 24.181 20.856 1.00 0.00 C ATOM 469 C LEU A 31 24.443 24.188 22.348 1.00 0.00 C ATOM 470 O LEU A 31 24.722 23.129 22.914 1.00 0.00 O ATOM 471 CB LEU A 31 25.300 24.394 19.966 1.00 0.00 C ATOM 472 CG LEU A 31 25.042 24.208 18.456 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.280 24.637 17.673 1.00 0.00 C ATOM 474 CD2 LEU A 31 24.733 22.754 18.093 1.00 0.00 C ATOM 0 H LEU A 31 23.460 26.128 20.390 1.00 0.00 H new ATOM 0 HA LEU A 31 23.628 23.201 20.655 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.685 25.400 20.135 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.079 23.698 20.277 1.00 0.00 H new ATOM 0 HG LEU A 31 24.176 24.820 18.201 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.099 24.506 16.606 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.495 25.686 17.879 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.131 24.026 17.974 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.559 22.676 17.020 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.577 22.122 18.371 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.843 22.426 18.630 1.00 0.00 H new ATOM 486 N ARG A 32 24.446 25.359 23.001 1.00 0.00 N ATOM 487 CA ARG A 32 24.835 25.513 24.413 1.00 0.00 C ATOM 488 C ARG A 32 23.751 25.065 25.397 1.00 0.00 C ATOM 489 O ARG A 32 24.057 24.349 26.347 1.00 0.00 O ATOM 490 CB ARG A 32 25.243 26.975 24.669 1.00 0.00 C ATOM 491 CG ARG A 32 26.153 27.149 25.899 1.00 0.00 C ATOM 492 CD ARG A 32 27.530 26.482 25.737 1.00 0.00 C ATOM 493 NE ARG A 32 28.245 26.970 24.545 1.00 0.00 N ATOM 494 CZ ARG A 32 28.951 28.079 24.428 1.00 0.00 C ATOM 495 NH1 ARG A 32 29.172 28.901 25.411 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 29.436 28.399 23.270 1.00 0.00 N ATOM 0 H ARG A 32 24.175 26.238 22.559 1.00 0.00 H new ATOM 0 HA ARG A 32 25.682 24.851 24.592 1.00 0.00 H new ATOM 0 HB2 ARG A 32 25.757 27.361 23.788 1.00 0.00 H new ATOM 0 HB3 ARG A 32 24.344 27.577 24.803 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.293 28.213 26.091 1.00 0.00 H new ATOM 0 HG3 ARG A 32 25.655 26.730 26.773 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.132 26.675 26.625 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.403 25.402 25.666 1.00 0.00 H new ATOM 0 HE ARG A 32 28.188 26.382 23.713 1.00 0.00 H new ATOM 0 HH11 ARG A 32 28.791 28.704 26.336 1.00 0.00 H new ATOM 0 HH12 ARG A 32 29.727 29.743 25.257 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.270 27.797 22.464 1.00 0.00 H new ATOM 0 HH22 ARG A 32 29.984 29.253 23.165 1.00 0.00 H new ATOM 510 N TYR A 33 22.502 25.461 25.150 1.00 0.00 N ATOM 511 CA TYR A 33 21.332 25.000 25.903 1.00 0.00 C ATOM 512 C TYR A 33 20.699 23.785 25.211 1.00 0.00 C ATOM 513 O TYR A 33 21.100 22.656 25.493 1.00 0.00 O ATOM 514 CB TYR A 33 20.362 26.164 26.162 1.00 0.00 C ATOM 515 CG TYR A 33 20.883 27.175 27.169 1.00 0.00 C ATOM 516 CD1 TYR A 33 20.882 26.846 28.536 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.368 28.431 26.754 1.00 0.00 C ATOM 518 CE1 TYR A 33 21.324 27.781 29.492 1.00 0.00 C ATOM 519 CE2 TYR A 33 21.817 29.369 27.709 1.00 0.00 C ATOM 520 CZ TYR A 33 21.779 29.050 29.087 1.00 0.00 C ATOM 521 OH TYR A 33 22.164 29.958 30.026 1.00 0.00 O ATOM 0 H TYR A 33 22.270 26.122 24.409 1.00 0.00 H new ATOM 0 HA TYR A 33 21.636 24.653 26.890 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.159 26.673 25.220 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.413 25.763 26.519 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.541 25.872 28.854 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.396 28.677 25.703 1.00 0.00 H new ATOM 0 HE1 TYR A 33 21.314 27.523 30.541 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.190 30.330 27.388 1.00 0.00 H new ATOM 0 HH TYR A 33 22.561 30.737 29.584 1.00 0.00 H new ATOM 531 N TYR A 34 19.770 23.986 24.272 1.00 0.00 N ATOM 532 CA TYR A 34 19.051 22.912 23.571 1.00 0.00 C ATOM 533 C TYR A 34 18.485 23.380 22.224 1.00 0.00 C ATOM 534 O TYR A 34 18.368 24.577 21.970 1.00 0.00 O ATOM 535 CB TYR A 34 17.945 22.348 24.479 1.00 0.00 C ATOM 536 CG TYR A 34 17.107 23.369 25.227 1.00 0.00 C ATOM 537 CD1 TYR A 34 17.266 23.530 26.618 1.00 0.00 C ATOM 538 CD2 TYR A 34 16.171 24.157 24.534 1.00 0.00 C ATOM 539 CE1 TYR A 34 16.487 24.475 27.314 1.00 0.00 C ATOM 540 CE2 TYR A 34 15.395 25.105 25.221 1.00 0.00 C ATOM 541 CZ TYR A 34 15.548 25.261 26.615 1.00 0.00 C ATOM 542 OH TYR A 34 14.781 26.156 27.285 1.00 0.00 O ATOM 0 H TYR A 34 19.489 24.919 23.970 1.00 0.00 H new ATOM 0 HA TYR A 34 19.763 22.117 23.346 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.278 21.738 23.869 1.00 0.00 H new ATOM 0 HB3 TYR A 34 18.407 21.683 25.209 1.00 0.00 H new ATOM 0 HD1 TYR A 34 17.986 22.928 27.151 1.00 0.00 H new ATOM 0 HD2 TYR A 34 16.048 24.033 23.468 1.00 0.00 H new ATOM 0 HE1 TYR A 34 16.609 24.597 28.380 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.683 25.713 24.683 1.00 0.00 H new ATOM 0 HH TYR A 34 14.188 26.615 26.654 1.00 0.00 H new ATOM 552 N GLN A 35 18.099 22.440 21.364 1.00 0.00 N ATOM 553 CA GLN A 35 17.754 22.681 19.960 1.00 0.00 C ATOM 554 C GLN A 35 16.590 23.661 19.722 1.00 0.00 C ATOM 555 O GLN A 35 16.607 24.375 18.715 1.00 0.00 O ATOM 556 CB GLN A 35 17.559 21.324 19.258 1.00 0.00 C ATOM 557 CG GLN A 35 16.402 20.438 19.770 1.00 0.00 C ATOM 558 CD GLN A 35 16.424 18.986 19.269 1.00 0.00 C ATOM 559 OE1 GLN A 35 15.564 18.179 19.612 1.00 0.00 O ATOM 560 NE2 GLN A 35 17.357 18.559 18.443 1.00 0.00 N ATOM 0 H GLN A 35 18.014 21.459 21.631 1.00 0.00 H new ATOM 0 HA GLN A 35 18.593 23.211 19.509 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.401 21.510 18.196 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.486 20.758 19.348 1.00 0.00 H new ATOM 0 HG2 GLN A 35 16.425 20.431 20.860 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.457 20.894 19.474 1.00 0.00 H new ATOM 0 HE21 GLN A 35 18.092 19.194 18.131 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.345 17.593 18.115 1.00 0.00 H new ATOM 569 N SER A 36 15.598 23.755 20.618 1.00 0.00 N ATOM 570 CA SER A 36 14.526 24.764 20.538 1.00 0.00 C ATOM 571 C SER A 36 14.897 26.147 21.105 1.00 0.00 C ATOM 572 O SER A 36 14.042 27.035 21.131 1.00 0.00 O ATOM 573 CB SER A 36 13.246 24.241 21.194 1.00 0.00 C ATOM 574 OG SER A 36 13.395 24.119 22.596 1.00 0.00 O ATOM 0 H SER A 36 15.514 23.133 21.422 1.00 0.00 H new ATOM 0 HA SER A 36 14.361 24.924 19.473 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.420 24.917 20.972 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.988 23.271 20.769 1.00 0.00 H new ATOM 0 HG SER A 36 14.335 24.251 22.838 1.00 0.00 H new ATOM 580 N ALA A 37 16.138 26.363 21.565 1.00 0.00 N ATOM 581 CA ALA A 37 16.539 27.646 22.151 1.00 0.00 C ATOM 582 C ALA A 37 16.652 28.789 21.114 1.00 0.00 C ATOM 583 O ALA A 37 16.931 28.552 19.935 1.00 0.00 O ATOM 584 CB ALA A 37 17.828 27.473 22.964 1.00 0.00 C ATOM 0 H ALA A 37 16.880 25.664 21.542 1.00 0.00 H new ATOM 0 HA ALA A 37 15.740 27.957 22.825 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.118 28.431 23.395 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.660 26.751 23.763 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.624 27.113 22.312 1.00 0.00 H new ATOM 590 N HIS A 38 16.479 30.032 21.580 1.00 0.00 N ATOM 591 CA HIS A 38 16.606 31.284 20.813 1.00 0.00 C ATOM 592 C HIS A 38 17.263 32.390 21.662 1.00 0.00 C ATOM 593 O HIS A 38 17.121 32.388 22.887 1.00 0.00 O ATOM 594 CB HIS A 38 15.214 31.716 20.320 1.00 0.00 C ATOM 595 CG HIS A 38 15.211 33.000 19.530 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.697 33.148 18.229 1.00 0.00 N ATOM 597 CD2 HIS A 38 14.796 34.218 19.986 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.598 34.459 17.946 1.00 0.00 C ATOM 599 NE2 HIS A 38 15.039 35.120 18.973 1.00 0.00 N ATOM 0 H HIS A 38 16.233 30.204 22.555 1.00 0.00 H new ATOM 0 HA HIS A 38 17.253 31.113 19.953 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.797 30.921 19.702 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.555 31.830 21.181 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.362 34.433 20.952 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.922 34.916 17.023 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.830 36.118 18.999 1.00 0.00 H new ATOM 607 N GLY A 39 17.960 33.352 21.047 1.00 0.00 N ATOM 608 CA GLY A 39 18.684 34.414 21.763 1.00 0.00 C ATOM 609 C GLY A 39 19.173 35.566 20.880 1.00 0.00 C ATOM 610 O GLY A 39 19.072 35.502 19.658 1.00 0.00 O ATOM 0 H GLY A 39 18.039 33.418 20.032 1.00 0.00 H new ATOM 0 HA2 GLY A 39 18.033 34.820 22.537 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.543 33.972 22.268 1.00 0.00 H new ATOM 614 N TYR A 40 19.705 36.626 21.496 1.00 0.00 N ATOM 615 CA TYR A 40 20.219 37.825 20.817 1.00 0.00 C ATOM 616 C TYR A 40 21.381 38.495 21.567 1.00 0.00 C ATOM 617 O TYR A 40 21.684 38.166 22.711 1.00 0.00 O ATOM 618 CB TYR A 40 19.078 38.822 20.561 1.00 0.00 C ATOM 619 CG TYR A 40 18.522 39.559 21.769 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.806 40.928 21.938 1.00 0.00 C ATOM 621 CD2 TYR A 40 17.664 38.908 22.677 1.00 0.00 C ATOM 622 CE1 TYR A 40 18.203 41.658 22.980 1.00 0.00 C ATOM 623 CE2 TYR A 40 17.083 39.626 23.742 1.00 0.00 C ATOM 624 CZ TYR A 40 17.337 41.006 23.884 1.00 0.00 C ATOM 625 OH TYR A 40 16.727 41.709 24.873 1.00 0.00 O ATOM 0 H TYR A 40 19.794 36.677 22.511 1.00 0.00 H new ATOM 0 HA TYR A 40 20.629 37.496 19.862 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.431 39.564 19.844 1.00 0.00 H new ATOM 0 HB3 TYR A 40 18.258 38.284 20.085 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.491 41.421 21.264 1.00 0.00 H new ATOM 0 HD2 TYR A 40 17.451 37.856 22.557 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.403 42.714 23.087 1.00 0.00 H new ATOM 0 HE2 TYR A 40 16.443 39.119 24.449 1.00 0.00 H new ATOM 0 HH TYR A 40 16.165 41.107 25.404 1.00 0.00 H new ATOM 635 N CYS A 41 22.048 39.441 20.908 1.00 0.00 N ATOM 636 CA CYS A 41 23.223 40.150 21.433 1.00 0.00 C ATOM 637 C CYS A 41 22.846 41.319 22.373 1.00 0.00 C ATOM 638 O CYS A 41 23.079 42.492 22.075 1.00 0.00 O ATOM 639 CB CYS A 41 24.124 40.544 20.254 1.00 0.00 C ATOM 640 SG CYS A 41 24.684 39.098 19.307 1.00 0.00 S ATOM 0 H CYS A 41 21.783 39.746 19.971 1.00 0.00 H new ATOM 0 HA CYS A 41 23.795 39.486 22.081 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.581 41.221 19.594 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.991 41.090 20.627 1.00 0.00 H new ATOM 645 N TYR A 42 22.226 41.001 23.512 1.00 0.00 N ATOM 646 CA TYR A 42 21.857 41.956 24.563 1.00 0.00 C ATOM 647 C TYR A 42 23.118 42.524 25.233 1.00 0.00 C ATOM 648 O TYR A 42 24.000 41.771 25.648 1.00 0.00 O ATOM 649 CB TYR A 42 20.936 41.253 25.572 1.00 0.00 C ATOM 650 CG TYR A 42 20.455 42.099 26.738 1.00 0.00 C ATOM 651 CD1 TYR A 42 19.787 43.320 26.518 1.00 0.00 C ATOM 652 CD2 TYR A 42 20.653 41.644 28.057 1.00 0.00 C ATOM 653 CE1 TYR A 42 19.347 44.099 27.609 1.00 0.00 C ATOM 654 CE2 TYR A 42 20.214 42.418 29.148 1.00 0.00 C ATOM 655 CZ TYR A 42 19.570 43.652 28.928 1.00 0.00 C ATOM 656 OH TYR A 42 19.196 44.406 29.992 1.00 0.00 O ATOM 0 H TYR A 42 21.958 40.043 23.736 1.00 0.00 H new ATOM 0 HA TYR A 42 21.317 42.800 24.133 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.064 40.878 25.037 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.462 40.386 25.971 1.00 0.00 H new ATOM 0 HD1 TYR A 42 19.611 43.661 25.509 1.00 0.00 H new ATOM 0 HD2 TYR A 42 21.143 40.698 28.232 1.00 0.00 H new ATOM 0 HE1 TYR A 42 18.840 45.036 27.434 1.00 0.00 H new ATOM 0 HE2 TYR A 42 20.371 42.065 30.156 1.00 0.00 H new ATOM 0 HH TYR A 42 19.428 43.939 30.822 1.00 0.00 H new ATOM 666 N ALA A 43 23.238 43.853 25.299 1.00 0.00 N ATOM 667 CA ALA A 43 24.472 44.546 25.700 1.00 0.00 C ATOM 668 C ALA A 43 25.731 44.055 24.930 1.00 0.00 C ATOM 669 O ALA A 43 26.818 43.943 25.499 1.00 0.00 O ATOM 670 CB ALA A 43 24.606 44.516 27.233 1.00 0.00 C ATOM 0 H ALA A 43 22.473 44.489 25.073 1.00 0.00 H new ATOM 0 HA ALA A 43 24.397 45.592 25.404 1.00 0.00 H new ATOM 0 HB1 ALA A 43 25.521 45.030 27.528 1.00 0.00 H new ATOM 0 HB2 ALA A 43 23.748 45.015 27.683 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.644 43.482 27.575 1.00 0.00 H new ATOM 676 N PHE A 44 25.576 43.738 23.636 1.00 0.00 N ATOM 677 CA PHE A 44 26.600 43.190 22.726 1.00 0.00 C ATOM 678 C PHE A 44 27.131 41.778 23.069 1.00 0.00 C ATOM 679 O PHE A 44 28.095 41.325 22.449 1.00 0.00 O ATOM 680 CB PHE A 44 27.741 44.199 22.486 1.00 0.00 C ATOM 681 CG PHE A 44 27.316 45.605 22.097 1.00 0.00 C ATOM 682 CD1 PHE A 44 27.268 46.627 23.067 1.00 0.00 C ATOM 683 CD2 PHE A 44 27.019 45.902 20.753 1.00 0.00 C ATOM 684 CE1 PHE A 44 26.918 47.937 22.695 1.00 0.00 C ATOM 685 CE2 PHE A 44 26.677 47.216 20.379 1.00 0.00 C ATOM 686 CZ PHE A 44 26.624 48.231 21.352 1.00 0.00 C ATOM 0 H PHE A 44 24.680 43.864 23.166 1.00 0.00 H new ATOM 0 HA PHE A 44 26.066 43.035 21.789 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.342 44.260 23.393 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.388 43.806 21.701 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.500 46.403 24.098 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.054 45.121 20.008 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.875 48.717 23.441 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.456 47.444 19.347 1.00 0.00 H new ATOM 0 HZ PHE A 44 26.357 49.238 21.067 1.00 0.00 H new ATOM 696 N ALA A 45 26.507 41.051 24.003 1.00 0.00 N ATOM 697 CA ALA A 45 26.885 39.682 24.378 1.00 0.00 C ATOM 698 C ALA A 45 25.700 38.708 24.280 1.00 0.00 C ATOM 699 O ALA A 45 24.556 39.073 24.555 1.00 0.00 O ATOM 700 CB ALA A 45 27.543 39.701 25.763 1.00 0.00 C ATOM 0 H ALA A 45 25.709 41.404 24.530 1.00 0.00 H new ATOM 0 HA ALA A 45 27.617 39.303 23.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.825 38.687 26.046 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.432 40.331 25.735 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.840 40.099 26.495 1.00 0.00 H new ATOM 706 N CYS A 46 25.961 37.467 23.860 1.00 0.00 N ATOM 707 CA CYS A 46 24.891 36.525 23.510 1.00 0.00 C ATOM 708 C CYS A 46 24.047 36.109 24.733 1.00 0.00 C ATOM 709 O CYS A 46 24.568 35.668 25.762 1.00 0.00 O ATOM 710 CB CYS A 46 25.477 35.349 22.721 1.00 0.00 C ATOM 711 SG CYS A 46 24.293 34.090 22.158 1.00 0.00 S ATOM 0 H CYS A 46 26.903 37.090 23.754 1.00 0.00 H new ATOM 0 HA CYS A 46 24.176 37.025 22.856 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.995 35.746 21.848 1.00 0.00 H new ATOM 0 HB3 CYS A 46 26.228 34.860 23.342 1.00 0.00 H new ATOM 716 N TRP A 47 22.730 36.271 24.599 1.00 0.00 N ATOM 717 CA TRP A 47 21.738 36.183 25.667 1.00 0.00 C ATOM 718 C TRP A 47 20.490 35.435 25.175 1.00 0.00 C ATOM 719 O TRP A 47 19.814 35.861 24.236 1.00 0.00 O ATOM 720 CB TRP A 47 21.427 37.619 26.097 1.00 0.00 C ATOM 721 CG TRP A 47 20.465 37.810 27.220 1.00 0.00 C ATOM 722 CD1 TRP A 47 19.172 38.173 27.077 1.00 0.00 C ATOM 723 CD2 TRP A 47 20.698 37.707 28.659 1.00 0.00 C ATOM 724 NE1 TRP A 47 18.595 38.329 28.320 1.00 0.00 N ATOM 725 CE2 TRP A 47 19.485 38.041 29.333 1.00 0.00 C ATOM 726 CE3 TRP A 47 21.819 37.406 29.464 1.00 0.00 C ATOM 727 CZ2 TRP A 47 19.383 38.061 30.731 1.00 0.00 C ATOM 728 CZ3 TRP A 47 21.719 37.399 30.870 1.00 0.00 C ATOM 729 CH2 TRP A 47 20.508 37.731 31.503 1.00 0.00 C ATOM 0 H TRP A 47 22.306 36.478 23.695 1.00 0.00 H new ATOM 0 HA TRP A 47 22.111 35.617 26.521 1.00 0.00 H new ATOM 0 HB2 TRP A 47 22.366 38.098 26.374 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.041 38.153 25.229 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.667 38.319 26.134 1.00 0.00 H new ATOM 0 HE1 TRP A 47 17.630 38.621 28.471 1.00 0.00 H new ATOM 0 HE3 TRP A 47 22.765 37.178 28.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 18.451 38.327 31.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 22.580 37.136 31.466 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.444 37.732 32.581 1.00 0.00 H new ATOM 740 N CYS A 48 20.225 34.287 25.782 1.00 0.00 N ATOM 741 CA CYS A 48 19.168 33.344 25.444 1.00 0.00 C ATOM 742 C CYS A 48 17.842 33.648 26.177 1.00 0.00 C ATOM 743 O CYS A 48 17.808 34.226 27.267 1.00 0.00 O ATOM 744 CB CYS A 48 19.688 31.939 25.749 1.00 0.00 C ATOM 745 SG CYS A 48 21.088 31.341 24.747 1.00 0.00 S ATOM 0 H CYS A 48 20.780 33.968 26.577 1.00 0.00 H new ATOM 0 HA CYS A 48 18.925 33.431 24.385 1.00 0.00 H new ATOM 0 HB2 CYS A 48 19.984 31.907 26.798 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.862 31.238 25.629 1.00 0.00 H new ATOM 750 N THR A 49 16.740 33.218 25.564 1.00 0.00 N ATOM 751 CA THR A 49 15.346 33.562 25.910 1.00 0.00 C ATOM 752 C THR A 49 14.489 32.321 26.177 1.00 0.00 C ATOM 753 O THR A 49 14.850 31.218 25.768 1.00 0.00 O ATOM 754 CB THR A 49 14.721 34.406 24.781 1.00 0.00 C ATOM 755 OG1 THR A 49 14.742 33.716 23.549 1.00 0.00 O ATOM 756 CG2 THR A 49 15.440 35.741 24.575 1.00 0.00 C ATOM 0 H THR A 49 16.790 32.584 24.767 1.00 0.00 H new ATOM 0 HA THR A 49 15.371 34.140 26.834 1.00 0.00 H new ATOM 0 HB THR A 49 13.695 34.594 25.098 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.637 33.349 23.395 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.958 36.293 23.768 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.393 36.325 25.494 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.483 35.557 24.316 1.00 0.00 H new ATOM 764 N HIS A 50 13.348 32.487 26.858 1.00 0.00 N ATOM 765 CA HIS A 50 12.328 31.450 27.135 1.00 0.00 C ATOM 766 C HIS A 50 12.842 30.177 27.852 1.00 0.00 C ATOM 767 O HIS A 50 12.218 29.114 27.768 1.00 0.00 O ATOM 768 CB HIS A 50 11.536 31.102 25.856 1.00 0.00 C ATOM 769 CG HIS A 50 11.140 32.264 24.974 1.00 0.00 C ATOM 770 ND1 HIS A 50 10.155 33.220 25.253 1.00 0.00 N ATOM 771 CD2 HIS A 50 11.662 32.519 23.740 1.00 0.00 C ATOM 772 CE1 HIS A 50 10.133 34.040 24.184 1.00 0.00 C ATOM 773 NE2 HIS A 50 11.019 33.635 23.259 1.00 0.00 N ATOM 0 H HIS A 50 13.092 33.392 27.254 1.00 0.00 H new ATOM 0 HA HIS A 50 11.658 31.907 27.863 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.133 30.410 25.262 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.630 30.571 26.149 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.432 31.953 23.237 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.492 34.903 24.085 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.186 34.079 22.356 1.00 0.00 H new ATOM 781 N LEU A 51 13.988 30.254 28.537 1.00 0.00 N ATOM 782 CA LEU A 51 14.713 29.117 29.113 1.00 0.00 C ATOM 783 C LEU A 51 14.094 28.535 30.395 1.00 0.00 C ATOM 784 O LEU A 51 13.307 29.185 31.092 1.00 0.00 O ATOM 785 CB LEU A 51 16.172 29.513 29.419 1.00 0.00 C ATOM 786 CG LEU A 51 17.047 29.944 28.232 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.434 30.262 28.786 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.183 28.845 27.175 1.00 0.00 C ATOM 0 H LEU A 51 14.454 31.144 28.712 1.00 0.00 H new ATOM 0 HA LEU A 51 14.655 28.339 28.352 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.156 30.330 30.141 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.657 28.667 29.906 1.00 0.00 H new ATOM 0 HG LEU A 51 16.582 30.803 27.748 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.088 30.573 27.972 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.358 31.066 29.518 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.847 29.374 29.264 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.811 29.201 26.358 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.638 27.962 27.624 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.197 28.588 26.789 1.00 0.00 H new ATOM 800 N TYR A 52 14.542 27.322 30.729 1.00 0.00 N ATOM 801 CA TYR A 52 14.310 26.647 32.005 1.00 0.00 C ATOM 802 C TYR A 52 14.959 27.342 33.218 1.00 0.00 C ATOM 803 O TYR A 52 15.847 28.186 33.100 1.00 0.00 O ATOM 804 CB TYR A 52 14.761 25.175 31.910 1.00 0.00 C ATOM 805 CG TYR A 52 16.170 24.810 31.455 1.00 0.00 C ATOM 806 CD1 TYR A 52 17.218 25.748 31.320 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.418 23.456 31.150 1.00 0.00 C ATOM 808 CE1 TYR A 52 18.487 25.330 30.876 1.00 0.00 C ATOM 809 CE2 TYR A 52 17.678 23.040 30.684 1.00 0.00 C ATOM 810 CZ TYR A 52 18.719 23.979 30.542 1.00 0.00 C ATOM 811 OH TYR A 52 19.933 23.594 30.075 1.00 0.00 O ATOM 0 H TYR A 52 15.101 26.760 30.087 1.00 0.00 H new ATOM 0 HA TYR A 52 13.236 26.698 32.186 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.621 24.734 32.897 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.068 24.672 31.235 1.00 0.00 H new ATOM 0 HD1 TYR A 52 17.045 26.787 31.558 1.00 0.00 H new ATOM 0 HD2 TYR A 52 15.630 22.729 31.276 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.289 26.049 30.790 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.847 22.003 30.435 1.00 0.00 H new ATOM 0 HH TYR A 52 19.924 22.631 29.895 1.00 0.00 H new ATOM 821 N GLU A 53 14.564 26.899 34.410 1.00 0.00 N ATOM 822 CA GLU A 53 15.116 27.283 35.713 1.00 0.00 C ATOM 823 C GLU A 53 16.642 27.086 35.841 1.00 0.00 C ATOM 824 O GLU A 53 17.293 27.793 36.619 1.00 0.00 O ATOM 825 CB GLU A 53 14.365 26.504 36.812 1.00 0.00 C ATOM 826 CG GLU A 53 14.468 24.962 36.779 1.00 0.00 C ATOM 827 CD GLU A 53 13.651 24.257 35.682 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.756 24.878 35.060 1.00 0.00 O ATOM 829 OE2 GLU A 53 13.892 23.051 35.434 1.00 0.00 O1- ATOM 0 H GLU A 53 13.806 26.223 34.500 1.00 0.00 H new ATOM 0 HA GLU A 53 14.966 28.357 35.825 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.731 26.847 37.780 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.310 26.774 36.757 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.516 24.690 36.656 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.150 24.575 37.747 1.00 0.00 H new ATOM 836 N GLN A 54 17.222 26.177 35.046 1.00 0.00 N ATOM 837 CA GLN A 54 18.658 25.851 35.040 1.00 0.00 C ATOM 838 C GLN A 54 19.553 26.897 34.329 1.00 0.00 C ATOM 839 O GLN A 54 20.766 26.688 34.223 1.00 0.00 O ATOM 840 CB GLN A 54 18.837 24.438 34.438 1.00 0.00 C ATOM 841 CG GLN A 54 18.447 23.294 35.395 1.00 0.00 C ATOM 842 CD GLN A 54 19.505 22.981 36.457 1.00 0.00 C ATOM 843 OE1 GLN A 54 20.448 23.727 36.691 1.00 0.00 O ATOM 844 NE2 GLN A 54 19.378 21.891 37.174 1.00 0.00 N ATOM 0 H GLN A 54 16.691 25.631 34.368 1.00 0.00 H new ATOM 0 HA GLN A 54 19.003 25.872 36.074 1.00 0.00 H new ATOM 0 HB2 GLN A 54 18.235 24.361 33.532 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.878 24.310 34.141 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.513 23.554 35.893 1.00 0.00 H new ATOM 0 HG3 GLN A 54 18.257 22.394 34.810 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.601 21.253 36.999 1.00 0.00 H new ATOM 0 HE22 GLN A 54 20.056 21.681 37.907 1.00 0.00 H new ATOM 853 N ALA A 55 18.989 28.009 33.839 1.00 0.00 N ATOM 854 CA ALA A 55 19.729 29.115 33.220 1.00 0.00 C ATOM 855 C ALA A 55 20.639 29.898 34.200 1.00 0.00 C ATOM 856 O ALA A 55 20.430 29.907 35.418 1.00 0.00 O ATOM 857 CB ALA A 55 18.726 30.042 32.526 1.00 0.00 C ATOM 0 H ALA A 55 17.982 28.167 33.863 1.00 0.00 H new ATOM 0 HA ALA A 55 20.419 28.684 32.494 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.259 30.871 32.060 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.183 29.484 31.763 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.021 30.431 33.261 1.00 0.00 H new ATOM 863 N VAL A 56 21.653 30.573 33.644 1.00 0.00 N ATOM 864 CA VAL A 56 22.747 31.263 34.359 1.00 0.00 C ATOM 865 C VAL A 56 22.989 32.654 33.748 1.00 0.00 C ATOM 866 O VAL A 56 22.765 32.843 32.553 1.00 0.00 O ATOM 867 CB VAL A 56 24.019 30.378 34.320 1.00 0.00 C ATOM 868 CG1 VAL A 56 25.266 31.036 34.925 1.00 0.00 C ATOM 869 CG2 VAL A 56 23.811 29.056 35.073 1.00 0.00 C ATOM 0 H VAL A 56 21.742 30.660 32.632 1.00 0.00 H new ATOM 0 HA VAL A 56 22.473 31.417 35.403 1.00 0.00 H new ATOM 0 HB VAL A 56 24.187 30.215 33.255 1.00 0.00 H new ATOM 0 HG11 VAL A 56 26.109 30.349 34.857 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.497 31.950 34.377 1.00 0.00 H new ATOM 0 HG13 VAL A 56 25.079 31.278 35.971 1.00 0.00 H new ATOM 0 HG21 VAL A 56 24.724 28.462 35.024 1.00 0.00 H new ATOM 0 HG22 VAL A 56 23.569 29.265 36.115 1.00 0.00 H new ATOM 0 HG23 VAL A 56 22.992 28.501 34.615 1.00 0.00 H new ATOM 879 N VAL A 57 23.446 33.634 34.535 1.00 0.00 N ATOM 880 CA VAL A 57 23.805 34.999 34.067 1.00 0.00 C ATOM 881 C VAL A 57 25.305 35.313 34.224 1.00 0.00 C ATOM 882 O VAL A 57 26.076 34.487 34.719 1.00 0.00 O ATOM 883 CB VAL A 57 22.905 36.088 34.696 1.00 0.00 C ATOM 884 CG1 VAL A 57 21.415 35.757 34.543 1.00 0.00 C ATOM 885 CG2 VAL A 57 23.211 36.377 36.169 1.00 0.00 C ATOM 0 H VAL A 57 23.583 33.509 35.538 1.00 0.00 H new ATOM 0 HA VAL A 57 23.609 35.012 32.995 1.00 0.00 H new ATOM 0 HB VAL A 57 23.139 36.992 34.134 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.818 36.547 34.998 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.167 35.679 33.485 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.200 34.810 35.037 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.537 37.151 36.535 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.072 35.468 36.755 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.242 36.717 36.266 1.00 0.00 H new ATOM 895 N TRP A 58 25.723 36.508 33.781 1.00 0.00 N ATOM 896 CA TRP A 58 27.112 37.005 33.750 1.00 0.00 C ATOM 897 C TRP A 58 27.857 36.861 35.112 1.00 0.00 C ATOM 898 O TRP A 58 27.200 36.738 36.152 1.00 0.00 O ATOM 899 CB TRP A 58 27.113 38.440 33.193 1.00 0.00 C ATOM 900 CG TRP A 58 26.013 38.857 32.258 1.00 0.00 C ATOM 901 CD1 TRP A 58 26.046 38.816 30.905 1.00 0.00 C ATOM 902 CD2 TRP A 58 24.717 39.437 32.605 1.00 0.00 C ATOM 903 NE1 TRP A 58 24.877 39.353 30.391 1.00 0.00 N ATOM 904 CE2 TRP A 58 24.037 39.780 31.399 1.00 0.00 C ATOM 905 CE3 TRP A 58 24.065 39.733 33.823 1.00 0.00 C ATOM 906 CZ2 TRP A 58 22.782 40.403 31.404 1.00 0.00 C ATOM 907 CZ3 TRP A 58 22.794 40.340 33.837 1.00 0.00 C ATOM 908 CH2 TRP A 58 22.154 40.678 32.632 1.00 0.00 C ATOM 0 H TRP A 58 25.065 37.195 33.413 1.00 0.00 H new ATOM 0 HA TRP A 58 27.694 36.372 33.080 1.00 0.00 H new ATOM 0 HB2 TRP A 58 27.100 39.123 34.042 1.00 0.00 H new ATOM 0 HB3 TRP A 58 28.060 38.592 32.676 1.00 0.00 H new ATOM 0 HD1 TRP A 58 26.861 38.424 30.315 1.00 0.00 H new ATOM 0 HE1 TRP A 58 24.665 39.424 29.396 1.00 0.00 H new ATOM 0 HE3 TRP A 58 24.549 39.490 34.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 22.302 40.669 30.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 22.308 40.547 34.779 1.00 0.00 H new ATOM 0 HH2 TRP A 58 21.182 41.148 32.649 1.00 0.00 H new ATOM 919 N PRO A 59 29.213 36.910 35.140 1.00 0.00 N ATOM 920 CA PRO A 59 30.004 36.428 36.280 1.00 0.00 C ATOM 921 C PRO A 59 29.507 35.107 36.891 1.00 0.00 C ATOM 922 O PRO A 59 28.875 35.046 37.946 1.00 0.00 O ATOM 923 CB PRO A 59 30.189 37.627 37.196 1.00 0.00 C ATOM 924 CG PRO A 59 30.537 38.678 36.137 1.00 0.00 C ATOM 925 CD PRO A 59 29.894 38.172 34.830 1.00 0.00 C ATOM 0 HA PRO A 59 30.994 36.083 35.981 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.287 37.874 37.755 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.986 37.482 37.925 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.147 39.658 36.413 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.616 38.784 36.028 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.187 38.905 34.441 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.652 38.021 34.062 1.00 0.00 H new ATOM 933 N LEU A 60 29.755 34.031 36.145 1.00 0.00 N ATOM 934 CA LEU A 60 29.230 32.683 36.351 1.00 0.00 C ATOM 935 C LEU A 60 29.740 32.062 37.667 1.00 0.00 C ATOM 936 O LEU A 60 30.907 32.258 38.012 1.00 0.00 O ATOM 937 CB LEU A 60 29.638 31.800 35.150 1.00 0.00 C ATOM 938 CG LEU A 60 28.935 32.123 33.813 1.00 0.00 C ATOM 939 CD1 LEU A 60 29.275 33.498 33.229 1.00 0.00 C ATOM 940 CD2 LEU A 60 29.327 31.084 32.765 1.00 0.00 C ATOM 0 H LEU A 60 30.366 34.081 35.330 1.00 0.00 H new ATOM 0 HA LEU A 60 28.144 32.742 36.425 1.00 0.00 H new ATOM 0 HB2 LEU A 60 30.714 31.891 35.005 1.00 0.00 H new ATOM 0 HB3 LEU A 60 29.437 30.759 35.403 1.00 0.00 H new ATOM 0 HG LEU A 60 27.870 32.114 34.043 1.00 0.00 H new ATOM 0 HD11 LEU A 60 28.737 33.638 32.292 1.00 0.00 H new ATOM 0 HD12 LEU A 60 28.983 34.275 33.935 1.00 0.00 H new ATOM 0 HD13 LEU A 60 30.347 33.560 33.044 1.00 0.00 H new ATOM 0 HD21 LEU A 60 28.830 31.313 31.822 1.00 0.00 H new ATOM 0 HD22 LEU A 60 30.407 31.103 32.620 1.00 0.00 H new ATOM 0 HD23 LEU A 60 29.024 30.093 33.104 1.00 0.00 H new ATOM 952 N PRO A 61 28.938 31.247 38.379 1.00 0.00 N ATOM 953 CA PRO A 61 29.406 30.536 39.574 1.00 0.00 C ATOM 954 C PRO A 61 30.503 29.501 39.256 1.00 0.00 C ATOM 955 O PRO A 61 31.277 29.132 40.138 1.00 0.00 O ATOM 956 CB PRO A 61 28.153 29.874 40.159 1.00 0.00 C ATOM 957 CG PRO A 61 27.256 29.658 38.940 1.00 0.00 C ATOM 958 CD PRO A 61 27.561 30.880 38.073 1.00 0.00 C ATOM 0 HA PRO A 61 29.875 31.220 40.281 1.00 0.00 H new ATOM 0 HB2 PRO A 61 28.391 28.932 40.653 1.00 0.00 H new ATOM 0 HB3 PRO A 61 27.673 30.511 40.902 1.00 0.00 H new ATOM 0 HG2 PRO A 61 27.492 28.727 38.424 1.00 0.00 H new ATOM 0 HG3 PRO A 61 26.203 29.611 39.216 1.00 0.00 H new ATOM 0 HD2 PRO A 61 27.444 30.648 37.014 1.00 0.00 H new ATOM 0 HD3 PRO A 61 26.878 31.700 38.297 1.00 0.00 H new ATOM 966 N ASN A 62 30.592 29.043 38.003 1.00 0.00 N ATOM 967 CA ASN A 62 31.568 28.052 37.554 1.00 0.00 C ATOM 968 C ASN A 62 33.027 28.555 37.610 1.00 0.00 C ATOM 969 O ASN A 62 33.869 27.837 38.152 1.00 0.00 O ATOM 970 CB ASN A 62 31.184 27.580 36.138 1.00 0.00 C ATOM 971 CG ASN A 62 29.847 26.858 36.091 1.00 0.00 C ATOM 972 OD1 ASN A 62 28.781 27.449 36.221 1.00 0.00 O ATOM 973 ND2 ASN A 62 29.861 25.560 35.901 1.00 0.00 N ATOM 0 H ASN A 62 29.972 29.360 37.258 1.00 0.00 H new ATOM 0 HA ASN A 62 31.534 27.212 38.247 1.00 0.00 H new ATOM 0 HB2 ASN A 62 31.148 28.442 35.472 1.00 0.00 H new ATOM 0 HB3 ASN A 62 31.962 26.917 35.759 1.00 0.00 H new ATOM 0 HD21 ASN A 62 28.984 25.041 35.861 1.00 0.00 H new ATOM 0 HD22 ASN A 62 30.749 25.070 35.793 1.00 0.00 H new ATOM 980 N LYS A 63 33.336 29.746 37.063 1.00 0.00 N ATOM 981 CA LYS A 63 34.714 30.270 36.911 1.00 0.00 C ATOM 982 C LYS A 63 34.761 31.804 36.764 1.00 0.00 C ATOM 983 O LYS A 63 33.821 32.413 36.249 1.00 0.00 O ATOM 984 CB LYS A 63 35.378 29.602 35.681 1.00 0.00 C ATOM 985 CG LYS A 63 36.806 29.070 35.908 1.00 0.00 C ATOM 986 CD LYS A 63 36.871 27.675 36.563 1.00 0.00 C ATOM 987 CE LYS A 63 36.884 27.702 38.096 1.00 0.00 C ATOM 988 NZ LYS A 63 36.800 26.335 38.661 1.00 0.00 N1+ ATOM 0 H LYS A 63 32.625 30.385 36.707 1.00 0.00 H new ATOM 0 HA LYS A 63 35.259 30.026 37.823 1.00 0.00 H new ATOM 0 HB2 LYS A 63 34.748 28.775 35.354 1.00 0.00 H new ATOM 0 HB3 LYS A 63 35.403 30.325 34.866 1.00 0.00 H new ATOM 0 HG2 LYS A 63 37.323 29.032 34.949 1.00 0.00 H new ATOM 0 HG3 LYS A 63 37.349 29.778 36.535 1.00 0.00 H new ATOM 0 HD2 LYS A 63 36.016 27.088 36.228 1.00 0.00 H new ATOM 0 HD3 LYS A 63 37.766 27.162 36.212 1.00 0.00 H new ATOM 0 HE2 LYS A 63 37.796 28.186 38.445 1.00 0.00 H new ATOM 0 HE3 LYS A 63 36.047 28.299 38.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 36.811 26.387 39.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 35.918 25.883 38.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 37.612 25.774 38.334 1.00 0.00 H new ATOM 1002 N ARG A 64 35.879 32.426 37.159 1.00 0.00 N ATOM 1003 CA ARG A 64 36.182 33.876 37.069 1.00 0.00 C ATOM 1004 C ARG A 64 37.218 34.192 35.971 1.00 0.00 C ATOM 1005 O ARG A 64 37.889 33.291 35.473 1.00 0.00 O ATOM 1006 CB ARG A 64 36.586 34.340 38.484 1.00 0.00 C ATOM 1007 CG ARG A 64 36.994 35.809 38.684 1.00 0.00 C ATOM 1008 CD ARG A 64 35.920 36.827 38.284 1.00 0.00 C ATOM 1009 NE ARG A 64 34.739 36.787 39.165 1.00 0.00 N ATOM 1010 CZ ARG A 64 33.844 37.752 39.268 1.00 0.00 C ATOM 1011 NH1 ARG A 64 33.828 38.769 38.456 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 32.951 37.718 40.208 1.00 0.00 N ATOM 0 H ARG A 64 36.650 31.905 37.577 1.00 0.00 H new ATOM 0 HA ARG A 64 35.307 34.442 36.750 1.00 0.00 H new ATOM 0 HB2 ARG A 64 35.750 34.134 39.152 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.418 33.717 38.813 1.00 0.00 H new ATOM 0 HG2 ARG A 64 37.250 35.962 39.732 1.00 0.00 H new ATOM 0 HG3 ARG A 64 37.896 36.005 38.104 1.00 0.00 H new ATOM 0 HD2 ARG A 64 36.349 37.829 38.305 1.00 0.00 H new ATOM 0 HD3 ARG A 64 35.608 36.635 37.257 1.00 0.00 H new ATOM 0 HE ARG A 64 34.603 35.953 39.737 1.00 0.00 H new ATOM 0 HH11 ARG A 64 34.522 38.838 37.711 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.122 39.497 38.564 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.938 36.943 40.872 1.00 0.00 H new ATOM 0 HH22 ARG A 64 32.261 38.466 40.284 1.00 0.00 H new ATOM 1026 N CYS A 65 37.310 35.454 35.540 1.00 0.00 N ATOM 1027 CA CYS A 65 38.192 35.925 34.462 1.00 0.00 C ATOM 1028 C CYS A 65 38.546 37.426 34.615 1.00 0.00 C ATOM 1029 O CYS A 65 37.749 38.187 35.180 1.00 0.00 O ATOM 1030 CB CYS A 65 37.471 35.638 33.136 1.00 0.00 C ATOM 1031 SG CYS A 65 38.479 35.703 31.638 1.00 0.00 S ATOM 0 H CYS A 65 36.752 36.205 35.946 1.00 0.00 H new ATOM 0 HA CYS A 65 39.147 35.401 34.497 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.020 34.648 33.201 1.00 0.00 H new ATOM 0 HB3 CYS A 65 36.656 36.353 33.030 1.00 0.00 H new ATOM 1036 N LYS A 66 39.704 37.879 34.100 1.00 0.00 N ATOM 1037 CA LYS A 66 40.100 39.311 34.085 1.00 0.00 C ATOM 1038 C LYS A 66 39.226 40.168 33.157 1.00 0.00 C ATOM 1039 O LYS A 66 38.544 39.669 32.265 1.00 0.00 O ATOM 1040 CB LYS A 66 41.590 39.487 33.709 1.00 0.00 C ATOM 1041 CG LYS A 66 42.550 39.400 34.908 1.00 0.00 C ATOM 1042 CD LYS A 66 43.197 38.023 35.043 1.00 0.00 C ATOM 1043 CE LYS A 66 44.152 38.010 36.237 1.00 0.00 C ATOM 1044 NZ LYS A 66 44.946 36.762 36.284 1.00 0.00 N1+ ATOM 0 H LYS A 66 40.399 37.263 33.679 1.00 0.00 H new ATOM 0 HA LYS A 66 39.944 39.666 35.104 1.00 0.00 H new ATOM 0 HB2 LYS A 66 41.864 38.723 32.981 1.00 0.00 H new ATOM 0 HB3 LYS A 66 41.720 40.453 33.221 1.00 0.00 H new ATOM 0 HG2 LYS A 66 43.329 40.155 34.800 1.00 0.00 H new ATOM 0 HG3 LYS A 66 42.005 39.633 35.823 1.00 0.00 H new ATOM 0 HD2 LYS A 66 42.428 37.262 35.173 1.00 0.00 H new ATOM 0 HD3 LYS A 66 43.739 37.775 34.130 1.00 0.00 H new ATOM 0 HE2 LYS A 66 44.823 38.867 36.177 1.00 0.00 H new ATOM 0 HE3 LYS A 66 43.583 38.115 37.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 45.583 36.787 37.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 44.306 35.946 36.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 45.508 36.675 35.413 1.00 0.00 H new HETATM 1058 N NH2 A 67 39.239 41.479 33.338 1.00 0.00 N TER 1061 NH2 A 67