USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.00163 USER MOD Single : A 7 THR OG1 : rot 110:sc= -0.0896 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 141:sc= -2.02! (180deg=-3.61!) USER MOD Single : A 13 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.17) USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= 0.0109 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0409 K(o=-0.041,f=-1.7!) USER MOD Single : A 28 SER OG : rot -86:sc= 1.28 USER MOD Single : A 29 SER OG : rot -97:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= -0.14 (180deg=-0.601) USER MOD Single : A 33 GLN : amide:sc= 0.746 K(o=0.75,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0881 K(o=-0.088,f=-1.1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0.149 K(o=0.15,f=-4.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.5) USER MOD Single : A 63 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.062) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.052 -2.183 -16.291 1.00 0.00 N ATOM 2 CA GLY A 1 -6.010 -1.756 -15.336 1.00 0.00 C ATOM 3 C GLY A 1 -5.945 -0.252 -15.202 1.00 0.00 C ATOM 4 O GLY A 1 -5.119 0.398 -15.838 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.062 -3.221 -16.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.980 -1.846 -15.965 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.848 -1.783 -17.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.210 -2.198 -14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.041 -2.133 -15.664 1.00 0.00 H new ATOM 10 N SER A 2 -6.811 0.304 -14.380 1.00 0.00 N ATOM 11 CA SER A 2 -6.857 1.734 -14.177 1.00 0.00 C ATOM 12 C SER A 2 -6.330 2.115 -12.797 1.00 0.00 C ATOM 13 O SER A 2 -7.050 2.033 -11.793 1.00 0.00 O ATOM 14 CB SER A 2 -8.283 2.239 -14.370 1.00 0.00 C ATOM 15 OG SER A 2 -9.224 1.332 -13.803 1.00 0.00 O ATOM 0 H SER A 2 -7.498 -0.220 -13.838 1.00 0.00 H new ATOM 0 HA SER A 2 -6.211 2.208 -14.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.392 3.219 -13.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.488 2.365 -15.433 1.00 0.00 H new ATOM 0 HG SER A 2 -8.931 1.077 -12.903 1.00 0.00 H new ATOM 21 N ALA A 3 -5.074 2.505 -12.742 1.00 0.00 N ATOM 22 CA ALA A 3 -4.452 2.910 -11.500 1.00 0.00 C ATOM 23 C ALA A 3 -3.775 4.255 -11.677 1.00 0.00 C ATOM 24 O ALA A 3 -3.199 4.530 -12.731 1.00 0.00 O ATOM 25 CB ALA A 3 -3.448 1.862 -11.052 1.00 0.00 C ATOM 0 H ALA A 3 -4.458 2.550 -13.554 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.218 3.004 -10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.986 2.177 -10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.958 0.910 -10.902 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.679 1.745 -11.815 1.00 0.00 H new ATOM 31 N LEU A 4 -3.827 5.090 -10.652 1.00 0.00 N ATOM 32 CA LEU A 4 -3.234 6.423 -10.707 1.00 0.00 C ATOM 33 C LEU A 4 -1.866 6.388 -10.066 1.00 0.00 C ATOM 34 O LEU A 4 -1.209 7.414 -9.874 1.00 0.00 O ATOM 35 CB LEU A 4 -4.111 7.413 -9.955 1.00 0.00 C ATOM 36 CG LEU A 4 -4.077 7.340 -8.413 1.00 0.00 C ATOM 37 CD1 LEU A 4 -4.740 8.563 -7.818 1.00 0.00 C ATOM 38 CD2 LEU A 4 -4.765 6.082 -7.891 1.00 0.00 C ATOM 0 H LEU A 4 -4.277 4.869 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.150 6.734 -11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.820 8.420 -10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.142 7.269 -10.280 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.030 7.304 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.710 8.500 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.211 9.459 -8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.777 8.612 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.720 6.068 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.807 6.078 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.260 5.201 -8.287 1.00 0.00 H new ATOM 50 N ASP A 5 -1.462 5.201 -9.755 1.00 0.00 N ATOM 51 CA ASP A 5 -0.220 4.960 -9.086 1.00 0.00 C ATOM 52 C ASP A 5 0.351 3.615 -9.470 1.00 0.00 C ATOM 53 O ASP A 5 -0.351 2.759 -10.011 1.00 0.00 O ATOM 54 CB ASP A 5 -0.370 5.064 -7.558 1.00 0.00 C ATOM 55 CG ASP A 5 -1.419 4.134 -6.958 1.00 0.00 C ATOM 56 OD1 ASP A 5 -1.356 2.908 -7.194 1.00 0.00 O ATOM 57 OD2 ASP A 5 -2.294 4.628 -6.219 1.00 0.00 O ATOM 0 H ASP A 5 -1.993 4.355 -9.961 1.00 0.00 H new ATOM 0 HA ASP A 5 0.476 5.735 -9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.594 4.849 -7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.625 6.092 -7.300 1.00 0.00 H new ATOM 62 N PHE A 6 1.629 3.435 -9.206 1.00 0.00 N ATOM 63 CA PHE A 6 2.291 2.178 -9.480 1.00 0.00 C ATOM 64 C PHE A 6 2.460 1.402 -8.181 1.00 0.00 C ATOM 65 O PHE A 6 2.648 0.182 -8.181 1.00 0.00 O ATOM 66 CB PHE A 6 3.656 2.415 -10.160 1.00 0.00 C ATOM 67 CG PHE A 6 4.643 3.212 -9.337 1.00 0.00 C ATOM 68 CD1 PHE A 6 4.593 4.598 -9.314 1.00 0.00 C ATOM 69 CD2 PHE A 6 5.624 2.572 -8.593 1.00 0.00 C ATOM 70 CE1 PHE A 6 5.498 5.327 -8.566 1.00 0.00 C ATOM 71 CE2 PHE A 6 6.532 3.297 -7.845 1.00 0.00 C ATOM 72 CZ PHE A 6 6.468 4.677 -7.832 1.00 0.00 C ATOM 0 H PHE A 6 2.233 4.149 -8.799 1.00 0.00 H new ATOM 0 HA PHE A 6 1.678 1.594 -10.166 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.100 1.449 -10.399 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.491 2.932 -11.105 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.837 5.114 -9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.679 1.493 -8.599 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.446 6.406 -8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.291 2.785 -7.271 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.176 5.246 -7.248 1.00 0.00 H new ATOM 82 N THR A 7 2.398 2.129 -7.079 1.00 0.00 N ATOM 83 CA THR A 7 2.510 1.556 -5.763 1.00 0.00 C ATOM 84 C THR A 7 1.294 1.929 -4.914 1.00 0.00 C ATOM 85 O THR A 7 0.839 3.075 -4.935 1.00 0.00 O ATOM 86 CB THR A 7 3.810 2.007 -5.060 1.00 0.00 C ATOM 87 OG1 THR A 7 3.816 1.558 -3.695 1.00 0.00 O ATOM 88 CG2 THR A 7 3.958 3.519 -5.112 1.00 0.00 C ATOM 0 H THR A 7 2.267 3.141 -7.080 1.00 0.00 H new ATOM 0 HA THR A 7 2.547 0.472 -5.874 1.00 0.00 H new ATOM 0 HB THR A 7 4.654 1.561 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.487 0.852 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.881 3.812 -4.611 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.990 3.846 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.109 3.985 -4.611 1.00 0.00 H new ATOM 96 N SER A 8 0.781 0.962 -4.172 1.00 0.00 N ATOM 97 CA SER A 8 -0.394 1.157 -3.324 1.00 0.00 C ATOM 98 C SER A 8 -0.184 2.248 -2.258 1.00 0.00 C ATOM 99 O SER A 8 -1.145 2.760 -1.693 1.00 0.00 O ATOM 100 CB SER A 8 -0.767 -0.161 -2.648 1.00 0.00 C ATOM 101 OG SER A 8 -0.975 -1.184 -3.613 1.00 0.00 O ATOM 0 H SER A 8 1.164 0.017 -4.137 1.00 0.00 H new ATOM 0 HA SER A 8 -1.205 1.492 -3.971 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.025 -0.459 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.671 -0.027 -2.054 1.00 0.00 H new ATOM 0 HG SER A 8 -1.211 -2.019 -3.158 1.00 0.00 H new ATOM 107 N CYS A 9 1.061 2.601 -1.984 1.00 0.00 N ATOM 108 CA CYS A 9 1.333 3.589 -0.956 1.00 0.00 C ATOM 109 C CYS A 9 1.621 4.971 -1.519 1.00 0.00 C ATOM 110 O CYS A 9 2.005 5.870 -0.782 1.00 0.00 O ATOM 111 CB CYS A 9 2.452 3.130 -0.043 1.00 0.00 C ATOM 112 SG CYS A 9 1.948 1.816 1.108 1.00 0.00 S ATOM 0 H CYS A 9 1.886 2.225 -2.451 1.00 0.00 H new ATOM 0 HA CYS A 9 0.419 3.681 -0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.283 2.772 -0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.818 3.983 0.528 1.00 0.00 H new ATOM 117 N ALA A 10 1.415 5.149 -2.814 1.00 0.00 N ATOM 118 CA ALA A 10 1.627 6.457 -3.438 1.00 0.00 C ATOM 119 C ALA A 10 0.657 7.494 -2.873 1.00 0.00 C ATOM 120 O ALA A 10 0.995 8.682 -2.743 1.00 0.00 O ATOM 121 CB ALA A 10 1.479 6.360 -4.945 1.00 0.00 C ATOM 0 H ALA A 10 1.105 4.417 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 10 2.643 6.779 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.640 7.342 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.214 5.658 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.476 6.010 -5.190 1.00 0.00 H new ATOM 127 N ARG A 11 -0.531 7.030 -2.476 1.00 0.00 N ATOM 128 CA ARG A 11 -1.547 7.906 -1.926 1.00 0.00 C ATOM 129 C ARG A 11 -1.127 8.500 -0.584 1.00 0.00 C ATOM 130 O ARG A 11 -1.791 9.389 -0.072 1.00 0.00 O ATOM 131 CB ARG A 11 -2.941 7.244 -1.846 1.00 0.00 C ATOM 132 CG ARG A 11 -2.959 5.750 -1.570 1.00 0.00 C ATOM 133 CD ARG A 11 -3.121 4.943 -2.859 1.00 0.00 C ATOM 134 NE ARG A 11 -3.853 3.694 -2.623 1.00 0.00 N ATOM 135 CZ ARG A 11 -4.189 2.811 -3.577 1.00 0.00 C ATOM 136 NH1 ARG A 11 -3.788 2.984 -4.832 1.00 0.00 N ATOM 137 NH2 ARG A 11 -4.923 1.752 -3.266 1.00 0.00 N ATOM 0 H ARG A 11 -0.805 6.049 -2.529 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.642 8.730 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.513 7.744 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.461 7.425 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.034 5.460 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.776 5.515 -0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.650 5.542 -3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.139 4.717 -3.274 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.127 3.481 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.219 3.794 -5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.049 2.307 -5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.231 1.610 -2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.180 1.079 -3.989 1.00 0.00 H new ATOM 151 N MET A 12 -0.015 8.002 -0.011 1.00 0.00 N ATOM 152 CA MET A 12 0.512 8.549 1.255 1.00 0.00 C ATOM 153 C MET A 12 0.777 10.059 1.125 1.00 0.00 C ATOM 154 O MET A 12 0.922 10.756 2.125 1.00 0.00 O ATOM 155 CB MET A 12 1.824 7.857 1.682 1.00 0.00 C ATOM 156 CG MET A 12 3.032 8.273 0.848 1.00 0.00 C ATOM 157 SD MET A 12 4.617 7.981 1.670 1.00 0.00 S ATOM 158 CE MET A 12 4.589 6.208 1.870 1.00 0.00 C ATOM 0 H MET A 12 0.530 7.232 -0.398 1.00 0.00 H new ATOM 0 HA MET A 12 -0.247 8.363 2.015 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.021 8.084 2.730 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.696 6.777 1.608 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.016 7.728 -0.096 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.948 9.332 0.606 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.585 5.805 1.687 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.279 5.961 2.885 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.886 5.773 1.160 1.00 0.00 H new ATOM 168 N ASN A 13 0.829 10.558 -0.117 1.00 0.00 N ATOM 169 CA ASN A 13 1.112 11.968 -0.366 1.00 0.00 C ATOM 170 C ASN A 13 -0.136 12.683 -0.854 1.00 0.00 C ATOM 171 O ASN A 13 -0.053 13.747 -1.470 1.00 0.00 O ATOM 172 CB ASN A 13 2.223 12.135 -1.411 1.00 0.00 C ATOM 173 CG ASN A 13 3.526 11.488 -1.010 1.00 0.00 C ATOM 174 OD1 ASN A 13 4.309 12.060 -0.251 1.00 0.00 O ATOM 175 ND2 ASN A 13 3.788 10.311 -1.543 1.00 0.00 N ATOM 0 H ASN A 13 0.678 10.004 -0.960 1.00 0.00 H new ATOM 0 HA ASN A 13 1.442 12.406 0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.889 11.707 -2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.392 13.198 -1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.667 9.840 -1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.111 9.872 -2.167 1.00 0.00 H new ATOM 182 N ASP A 14 -1.288 12.119 -0.558 1.00 0.00 N ATOM 183 CA ASP A 14 -2.550 12.685 -1.017 1.00 0.00 C ATOM 184 C ASP A 14 -3.282 13.326 0.156 1.00 0.00 C ATOM 185 O ASP A 14 -4.485 13.569 0.103 1.00 0.00 O ATOM 186 CB ASP A 14 -3.425 11.594 -1.663 1.00 0.00 C ATOM 187 CG ASP A 14 -4.580 12.158 -2.472 1.00 0.00 C ATOM 188 OD1 ASP A 14 -4.335 12.672 -3.584 1.00 0.00 O ATOM 189 OD2 ASP A 14 -5.738 12.069 -2.019 1.00 0.00 O ATOM 0 H ASP A 14 -1.382 11.269 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.344 13.448 -1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.804 10.975 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.819 10.944 -0.882 1.00 0.00 H new ATOM 194 N GLY A 15 -2.539 13.627 1.203 1.00 0.00 N ATOM 195 CA GLY A 15 -3.132 14.204 2.379 1.00 0.00 C ATOM 196 C GLY A 15 -3.359 13.177 3.463 1.00 0.00 C ATOM 197 O GLY A 15 -3.029 11.995 3.288 1.00 0.00 O ATOM 0 H GLY A 15 -1.531 13.480 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.486 14.995 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.082 14.668 2.115 1.00 0.00 H new ATOM 201 N ALA A 16 -3.896 13.628 4.589 1.00 0.00 N ATOM 202 CA ALA A 16 -4.195 12.756 5.718 1.00 0.00 C ATOM 203 C ALA A 16 -5.065 11.562 5.316 1.00 0.00 C ATOM 204 O ALA A 16 -4.840 10.443 5.779 1.00 0.00 O ATOM 205 CB ALA A 16 -4.864 13.551 6.829 1.00 0.00 C ATOM 0 H ALA A 16 -4.136 14.607 4.746 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.249 12.354 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.083 12.890 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.197 14.347 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.792 13.986 6.457 1.00 0.00 H new ATOM 211 N LEU A 17 -6.041 11.798 4.445 1.00 0.00 N ATOM 212 CA LEU A 17 -6.933 10.734 4.000 1.00 0.00 C ATOM 213 C LEU A 17 -6.147 9.748 3.138 1.00 0.00 C ATOM 214 O LEU A 17 -6.292 8.530 3.273 1.00 0.00 O ATOM 215 CB LEU A 17 -8.116 11.324 3.206 1.00 0.00 C ATOM 216 CG LEU A 17 -9.472 10.599 3.334 1.00 0.00 C ATOM 217 CD1 LEU A 17 -9.394 9.169 2.825 1.00 0.00 C ATOM 218 CD2 LEU A 17 -9.963 10.629 4.774 1.00 0.00 C ATOM 0 H LEU A 17 -6.234 12.712 4.035 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.336 10.211 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.253 12.359 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.840 11.345 2.152 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.189 11.132 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.368 8.691 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.104 9.172 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.654 8.617 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.920 10.113 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.236 10.133 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.085 11.663 5.095 1.00 0.00 H new ATOM 230 N GLY A 18 -5.291 10.291 2.275 1.00 0.00 N ATOM 231 CA GLY A 18 -4.457 9.472 1.414 1.00 0.00 C ATOM 232 C GLY A 18 -3.581 8.536 2.207 1.00 0.00 C ATOM 233 O GLY A 18 -3.405 7.377 1.833 1.00 0.00 O ATOM 0 H GLY A 18 -5.160 11.296 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.089 8.894 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.833 10.115 0.794 1.00 0.00 H new ATOM 237 N ALA A 19 -3.019 9.046 3.300 1.00 0.00 N ATOM 238 CA ALA A 19 -2.177 8.254 4.184 1.00 0.00 C ATOM 239 C ALA A 19 -2.918 7.028 4.705 1.00 0.00 C ATOM 240 O ALA A 19 -2.352 5.935 4.784 1.00 0.00 O ATOM 241 CB ALA A 19 -1.673 9.106 5.335 1.00 0.00 C ATOM 0 H ALA A 19 -3.135 10.016 3.594 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.321 7.902 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.045 8.500 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.091 9.940 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.521 9.490 5.902 1.00 0.00 H new ATOM 247 N LYS A 20 -4.189 7.208 5.047 1.00 0.00 N ATOM 248 CA LYS A 20 -5.000 6.105 5.540 1.00 0.00 C ATOM 249 C LYS A 20 -5.304 5.126 4.425 1.00 0.00 C ATOM 250 O LYS A 20 -5.261 3.915 4.629 1.00 0.00 O ATOM 251 CB LYS A 20 -6.298 6.602 6.180 1.00 0.00 C ATOM 252 CG LYS A 20 -6.305 6.515 7.705 1.00 0.00 C ATOM 253 CD LYS A 20 -5.289 7.456 8.340 1.00 0.00 C ATOM 254 CE LYS A 20 -5.718 8.906 8.206 1.00 0.00 C ATOM 255 NZ LYS A 20 -4.736 9.836 8.810 1.00 0.00 N ATOM 0 H LYS A 20 -4.676 8.102 4.992 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.423 5.593 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.465 7.637 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.132 6.020 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.301 6.755 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.089 5.491 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.169 7.206 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.317 7.317 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.846 9.150 7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.688 9.042 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.199 10.394 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.951 9.292 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.367 10.475 8.077 1.00 0.00 H new ATOM 269 N VAL A 21 -5.613 5.652 3.245 1.00 0.00 N ATOM 270 CA VAL A 21 -5.866 4.810 2.080 1.00 0.00 C ATOM 271 C VAL A 21 -4.630 3.970 1.767 1.00 0.00 C ATOM 272 O VAL A 21 -4.721 2.761 1.536 1.00 0.00 O ATOM 273 CB VAL A 21 -6.226 5.668 0.836 1.00 0.00 C ATOM 274 CG1 VAL A 21 -6.469 4.786 -0.372 1.00 0.00 C ATOM 275 CG2 VAL A 21 -7.444 6.531 1.111 1.00 0.00 C ATOM 0 H VAL A 21 -5.694 6.653 3.069 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.709 4.160 2.313 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.381 6.322 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.720 5.407 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.569 4.211 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.294 4.104 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.678 7.123 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.294 5.894 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.237 7.197 1.949 1.00 0.00 H new ATOM 285 N ALA A 22 -3.483 4.627 1.766 1.00 0.00 N ATOM 286 CA ALA A 22 -2.208 3.981 1.511 1.00 0.00 C ATOM 287 C ALA A 22 -1.946 2.850 2.499 1.00 0.00 C ATOM 288 O ALA A 22 -1.670 1.717 2.097 1.00 0.00 O ATOM 289 CB ALA A 22 -1.084 5.003 1.574 1.00 0.00 C ATOM 0 H ALA A 22 -3.410 5.629 1.943 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.246 3.548 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.132 4.509 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.251 5.774 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.062 5.459 2.564 1.00 0.00 H new ATOM 295 N GLN A 23 -2.040 3.158 3.793 1.00 0.00 N ATOM 296 CA GLN A 23 -1.769 2.167 4.822 1.00 0.00 C ATOM 297 C GLN A 23 -2.746 0.998 4.724 1.00 0.00 C ATOM 298 O GLN A 23 -2.357 -0.154 4.876 1.00 0.00 O ATOM 299 CB GLN A 23 -1.792 2.788 6.230 1.00 0.00 C ATOM 300 CG GLN A 23 -3.178 2.975 6.822 1.00 0.00 C ATOM 301 CD GLN A 23 -3.142 3.592 8.200 1.00 0.00 C ATOM 302 OE1 GLN A 23 -3.191 4.810 8.349 1.00 0.00 O ATOM 303 NE2 GLN A 23 -3.050 2.760 9.214 1.00 0.00 N ATOM 0 H GLN A 23 -2.300 4.079 4.146 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.763 1.785 4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.209 2.156 6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.295 3.757 6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.770 3.607 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.681 2.009 6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.012 1.755 9.047 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.017 3.120 10.168 1.00 0.00 H new ATOM 312 N ALA A 24 -4.009 1.304 4.432 1.00 0.00 N ATOM 313 CA ALA A 24 -5.043 0.287 4.321 1.00 0.00 C ATOM 314 C ALA A 24 -4.731 -0.669 3.189 1.00 0.00 C ATOM 315 O ALA A 24 -4.774 -1.894 3.359 1.00 0.00 O ATOM 316 CB ALA A 24 -6.399 0.942 4.092 1.00 0.00 C ATOM 0 H ALA A 24 -4.338 2.255 4.268 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.073 -0.278 5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.166 0.172 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.632 1.599 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.371 1.525 3.171 1.00 0.00 H new ATOM 322 N ALA A 25 -4.404 -0.107 2.039 1.00 0.00 N ATOM 323 CA ALA A 25 -4.057 -0.889 0.868 1.00 0.00 C ATOM 324 C ALA A 25 -2.813 -1.729 1.126 1.00 0.00 C ATOM 325 O ALA A 25 -2.702 -2.863 0.649 1.00 0.00 O ATOM 326 CB ALA A 25 -3.841 0.021 -0.328 1.00 0.00 C ATOM 0 H ALA A 25 -4.372 0.902 1.892 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.885 -1.564 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.581 -0.579 -1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.755 0.579 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.031 0.718 -0.113 1.00 0.00 H new ATOM 332 N CYS A 26 -1.891 -1.181 1.898 1.00 0.00 N ATOM 333 CA CYS A 26 -0.642 -1.855 2.190 1.00 0.00 C ATOM 334 C CYS A 26 -0.858 -3.015 3.162 1.00 0.00 C ATOM 335 O CYS A 26 -0.456 -4.143 2.893 1.00 0.00 O ATOM 336 CB CYS A 26 0.374 -0.867 2.762 1.00 0.00 C ATOM 337 SG CYS A 26 2.070 -1.511 2.811 1.00 0.00 S ATOM 0 H CYS A 26 -1.987 -0.265 2.336 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.252 -2.262 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.358 0.044 2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.070 -0.591 3.772 1.00 0.00 H new ATOM 342 N ILE A 27 -1.518 -2.738 4.276 1.00 0.00 N ATOM 343 CA ILE A 27 -1.770 -3.756 5.287 1.00 0.00 C ATOM 344 C ILE A 27 -2.550 -4.925 4.709 1.00 0.00 C ATOM 345 O ILE A 27 -2.168 -6.082 4.905 1.00 0.00 O ATOM 346 CB ILE A 27 -2.528 -3.172 6.503 1.00 0.00 C ATOM 347 CG1 ILE A 27 -1.721 -2.037 7.143 1.00 0.00 C ATOM 348 CG2 ILE A 27 -2.815 -4.259 7.528 1.00 0.00 C ATOM 349 CD1 ILE A 27 -2.481 -1.259 8.196 1.00 0.00 C ATOM 0 H ILE A 27 -1.890 -1.816 4.504 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.798 -4.115 5.625 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.478 -2.769 6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.821 -2.454 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.397 -1.350 6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.348 -3.828 8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.427 -5.037 7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.876 -4.691 7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.842 -0.474 8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.367 -0.810 7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.782 -1.932 8.999 1.00 0.00 H new ATOM 361 N SER A 28 -3.616 -4.629 3.980 1.00 0.00 N ATOM 362 CA SER A 28 -4.426 -5.670 3.372 1.00 0.00 C ATOM 363 C SER A 28 -3.592 -6.548 2.445 1.00 0.00 C ATOM 364 O SER A 28 -3.597 -7.772 2.571 1.00 0.00 O ATOM 365 CB SER A 28 -5.610 -5.057 2.617 1.00 0.00 C ATOM 366 OG SER A 28 -5.181 -4.036 1.724 1.00 0.00 O ATOM 0 H SER A 28 -3.938 -3.679 3.796 1.00 0.00 H new ATOM 0 HA SER A 28 -4.814 -6.303 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.131 -5.835 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.324 -4.644 3.330 1.00 0.00 H new ATOM 0 HG SER A 28 -5.131 -3.182 2.203 1.00 0.00 H new ATOM 372 N SER A 29 -2.843 -5.918 1.543 1.00 0.00 N ATOM 373 CA SER A 29 -2.033 -6.652 0.589 1.00 0.00 C ATOM 374 C SER A 29 -0.973 -7.503 1.285 1.00 0.00 C ATOM 375 O SER A 29 -0.638 -8.597 0.821 1.00 0.00 O ATOM 376 CB SER A 29 -1.400 -5.708 -0.437 1.00 0.00 C ATOM 377 OG SER A 29 -0.742 -4.617 0.183 1.00 0.00 O ATOM 0 H SER A 29 -2.784 -4.903 1.457 1.00 0.00 H new ATOM 0 HA SER A 29 -2.695 -7.333 0.055 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.687 -6.262 -1.048 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.172 -5.332 -1.109 1.00 0.00 H new ATOM 0 HG SER A 29 -1.336 -3.837 0.188 1.00 0.00 H new ATOM 383 N CYS A 30 -0.452 -7.007 2.401 1.00 0.00 N ATOM 384 CA CYS A 30 0.534 -7.742 3.162 1.00 0.00 C ATOM 385 C CYS A 30 -0.094 -8.990 3.776 1.00 0.00 C ATOM 386 O CYS A 30 0.474 -10.075 3.723 1.00 0.00 O ATOM 387 CB CYS A 30 1.143 -6.851 4.239 1.00 0.00 C ATOM 388 SG CYS A 30 2.162 -5.486 3.584 1.00 0.00 S ATOM 0 H CYS A 30 -0.700 -6.099 2.794 1.00 0.00 H new ATOM 0 HA CYS A 30 1.333 -8.058 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.341 -6.433 4.847 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.756 -7.464 4.899 1.00 0.00 H new ATOM 393 N LYS A 31 -1.268 -8.820 4.357 1.00 0.00 N ATOM 394 CA LYS A 31 -2.016 -9.931 4.944 1.00 0.00 C ATOM 395 C LYS A 31 -2.239 -11.048 3.924 1.00 0.00 C ATOM 396 O LYS A 31 -2.032 -12.223 4.226 1.00 0.00 O ATOM 397 CB LYS A 31 -3.355 -9.424 5.463 1.00 0.00 C ATOM 398 CG LYS A 31 -3.239 -8.490 6.654 1.00 0.00 C ATOM 399 CD LYS A 31 -4.457 -7.600 6.768 1.00 0.00 C ATOM 400 CE LYS A 31 -4.660 -7.104 8.193 1.00 0.00 C ATOM 401 NZ LYS A 31 -4.930 -8.217 9.143 1.00 0.00 N ATOM 0 H LYS A 31 -1.733 -7.916 4.438 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.434 -10.342 5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.874 -8.906 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.972 -10.278 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.124 -9.073 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.344 -7.876 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.349 -6.747 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.341 -8.150 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.773 -6.560 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.492 -6.400 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.491 -7.862 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.459 -8.968 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.029 -8.600 9.494 1.00 0.00 H new ATOM 415 N PHE A 32 -2.638 -10.671 2.714 1.00 0.00 N ATOM 416 CA PHE A 32 -2.880 -11.625 1.639 1.00 0.00 C ATOM 417 C PHE A 32 -1.640 -12.462 1.303 1.00 0.00 C ATOM 418 O PHE A 32 -1.757 -13.608 0.881 1.00 0.00 O ATOM 419 CB PHE A 32 -3.374 -10.895 0.396 1.00 0.00 C ATOM 420 CG PHE A 32 -4.830 -10.528 0.449 1.00 0.00 C ATOM 421 CD1 PHE A 32 -5.805 -11.507 0.361 1.00 0.00 C ATOM 422 CD2 PHE A 32 -5.224 -9.210 0.589 1.00 0.00 C ATOM 423 CE1 PHE A 32 -7.144 -11.175 0.413 1.00 0.00 C ATOM 424 CE2 PHE A 32 -6.561 -8.872 0.643 1.00 0.00 C ATOM 425 CZ PHE A 32 -7.522 -9.856 0.554 1.00 0.00 C ATOM 0 H PHE A 32 -2.802 -9.699 2.452 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.646 -12.317 1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.785 -9.988 0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.198 -11.523 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.515 -12.541 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.475 -8.435 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.895 -11.948 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.854 -7.838 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.569 -9.595 0.595 1.00 0.00 H new ATOM 435 N GLN A 33 -0.461 -11.890 1.494 1.00 0.00 N ATOM 436 CA GLN A 33 0.781 -12.602 1.196 1.00 0.00 C ATOM 437 C GLN A 33 1.391 -13.205 2.464 1.00 0.00 C ATOM 438 O GLN A 33 2.569 -13.566 2.487 1.00 0.00 O ATOM 439 CB GLN A 33 1.775 -11.676 0.487 1.00 0.00 C ATOM 440 CG GLN A 33 2.131 -10.439 1.277 1.00 0.00 C ATOM 441 CD GLN A 33 2.854 -9.403 0.452 1.00 0.00 C ATOM 442 OE1 GLN A 33 4.082 -9.405 0.356 1.00 0.00 O ATOM 443 NE2 GLN A 33 2.098 -8.506 -0.139 1.00 0.00 N ATOM 0 H GLN A 33 -0.334 -10.943 1.851 1.00 0.00 H new ATOM 0 HA GLN A 33 0.547 -13.427 0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.687 -12.234 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.354 -11.374 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.221 -10.000 1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.756 -10.722 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.084 -8.543 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.525 -7.773 -0.705 1.00 0.00 H new ATOM 452 N ASN A 34 0.568 -13.304 3.512 1.00 0.00 N ATOM 453 CA ASN A 34 0.954 -13.908 4.800 1.00 0.00 C ATOM 454 C ASN A 34 2.004 -13.066 5.527 1.00 0.00 C ATOM 455 O ASN A 34 2.971 -13.588 6.088 1.00 0.00 O ATOM 456 CB ASN A 34 1.457 -15.354 4.620 1.00 0.00 C ATOM 457 CG ASN A 34 1.513 -16.120 5.936 1.00 0.00 C ATOM 458 OD1 ASN A 34 0.691 -15.902 6.831 1.00 0.00 O ATOM 459 ND2 ASN A 34 2.485 -17.010 6.066 1.00 0.00 N ATOM 0 H ASN A 34 -0.394 -12.966 3.495 1.00 0.00 H new ATOM 0 HA ASN A 34 0.056 -13.935 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.802 -15.879 3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.450 -15.337 4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.574 -17.545 6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.144 -17.160 5.302 1.00 0.00 H new ATOM 466 N CYS A 35 1.814 -11.769 5.515 1.00 0.00 N ATOM 467 CA CYS A 35 2.694 -10.874 6.226 1.00 0.00 C ATOM 468 C CYS A 35 1.982 -10.322 7.443 1.00 0.00 C ATOM 469 O CYS A 35 0.798 -9.981 7.372 1.00 0.00 O ATOM 470 CB CYS A 35 3.170 -9.744 5.321 1.00 0.00 C ATOM 471 SG CYS A 35 4.427 -10.241 4.102 1.00 0.00 S ATOM 0 H CYS A 35 1.053 -11.307 5.017 1.00 0.00 H new ATOM 0 HA CYS A 35 3.574 -11.430 6.550 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.311 -9.331 4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.577 -8.945 5.940 1.00 0.00 H new ATOM 476 N GLY A 36 2.700 -10.244 8.549 1.00 0.00 N ATOM 477 CA GLY A 36 2.114 -9.794 9.802 1.00 0.00 C ATOM 478 C GLY A 36 1.550 -8.390 9.740 1.00 0.00 C ATOM 479 O GLY A 36 0.432 -8.146 10.187 1.00 0.00 O ATOM 0 H GLY A 36 3.689 -10.486 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.320 -10.483 10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.872 -9.837 10.584 1.00 0.00 H new ATOM 483 N THR A 37 2.304 -7.470 9.173 1.00 0.00 N ATOM 484 CA THR A 37 1.866 -6.090 9.115 1.00 0.00 C ATOM 485 C THR A 37 2.513 -5.341 7.960 1.00 0.00 C ATOM 486 O THR A 37 3.685 -5.543 7.650 1.00 0.00 O ATOM 487 CB THR A 37 2.172 -5.355 10.447 1.00 0.00 C ATOM 488 OG1 THR A 37 1.810 -3.967 10.351 1.00 0.00 O ATOM 489 CG2 THR A 37 3.649 -5.476 10.803 1.00 0.00 C ATOM 0 H THR A 37 3.214 -7.650 8.750 1.00 0.00 H new ATOM 0 HA THR A 37 0.788 -6.106 8.953 1.00 0.00 H new ATOM 0 HB THR A 37 1.581 -5.824 11.233 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.008 -3.518 11.199 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.841 -4.954 11.740 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.912 -6.528 10.913 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.252 -5.033 10.010 1.00 0.00 H new ATOM 497 N GLY A 38 1.728 -4.508 7.307 1.00 0.00 N ATOM 498 CA GLY A 38 2.241 -3.698 6.235 1.00 0.00 C ATOM 499 C GLY A 38 2.291 -2.245 6.605 1.00 0.00 C ATOM 500 O GLY A 38 1.484 -1.776 7.412 1.00 0.00 O ATOM 0 H GLY A 38 0.736 -4.379 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.241 -4.039 5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.615 -3.826 5.352 1.00 0.00 H new ATOM 504 N HIS A 39 3.242 -1.527 6.052 1.00 0.00 N ATOM 505 CA HIS A 39 3.353 -0.112 6.303 1.00 0.00 C ATOM 506 C HIS A 39 3.941 0.587 5.100 1.00 0.00 C ATOM 507 O HIS A 39 4.769 0.029 4.385 1.00 0.00 O ATOM 508 CB HIS A 39 4.182 0.180 7.581 1.00 0.00 C ATOM 509 CG HIS A 39 5.677 0.022 7.444 1.00 0.00 C ATOM 510 ND1 HIS A 39 6.356 -1.121 7.797 1.00 0.00 N ATOM 511 CD2 HIS A 39 6.619 0.897 7.025 1.00 0.00 C ATOM 512 CE1 HIS A 39 7.649 -0.940 7.602 1.00 0.00 C ATOM 513 NE2 HIS A 39 7.834 0.278 7.135 1.00 0.00 N ATOM 0 H HIS A 39 3.951 -1.903 5.423 1.00 0.00 H new ATOM 0 HA HIS A 39 2.351 0.279 6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.971 1.200 7.903 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.837 -0.483 8.375 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.444 1.901 6.669 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.424 -1.667 7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.735 0.691 6.895 1.00 0.00 H new ATOM 522 N CYS A 40 3.523 1.798 4.879 1.00 0.00 N ATOM 523 CA CYS A 40 4.015 2.557 3.764 1.00 0.00 C ATOM 524 C CYS A 40 5.307 3.229 4.141 1.00 0.00 C ATOM 525 O CYS A 40 5.377 3.949 5.138 1.00 0.00 O ATOM 526 CB CYS A 40 2.985 3.575 3.317 1.00 0.00 C ATOM 527 SG CYS A 40 1.424 2.826 2.788 1.00 0.00 S ATOM 0 H CYS A 40 2.839 2.285 5.458 1.00 0.00 H new ATOM 0 HA CYS A 40 4.202 1.883 2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.789 4.267 4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.396 4.161 2.495 1.00 0.00 H new ATOM 532 N GLU A 41 6.334 2.983 3.364 1.00 0.00 N ATOM 533 CA GLU A 41 7.632 3.532 3.650 1.00 0.00 C ATOM 534 C GLU A 41 8.239 4.121 2.382 1.00 0.00 C ATOM 535 O GLU A 41 8.098 3.552 1.301 1.00 0.00 O ATOM 536 CB GLU A 41 8.521 2.423 4.219 1.00 0.00 C ATOM 537 CG GLU A 41 9.817 2.892 4.842 1.00 0.00 C ATOM 538 CD GLU A 41 10.552 1.762 5.526 1.00 0.00 C ATOM 539 OE1 GLU A 41 10.279 1.506 6.721 1.00 0.00 O ATOM 540 OE2 GLU A 41 11.392 1.110 4.876 1.00 0.00 O ATOM 0 H GLU A 41 6.293 2.403 2.526 1.00 0.00 H new ATOM 0 HA GLU A 41 7.547 4.333 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.953 1.874 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.754 1.720 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.454 3.327 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.608 3.680 5.565 1.00 0.00 H new ATOM 547 N ARG A 42 8.894 5.259 2.503 1.00 0.00 N ATOM 548 CA ARG A 42 9.505 5.888 1.354 1.00 0.00 C ATOM 549 C ARG A 42 10.918 5.416 1.189 1.00 0.00 C ATOM 550 O ARG A 42 11.736 5.515 2.107 1.00 0.00 O ATOM 551 CB ARG A 42 9.473 7.413 1.441 1.00 0.00 C ATOM 552 CG ARG A 42 8.120 8.017 1.135 1.00 0.00 C ATOM 553 CD ARG A 42 8.198 9.531 1.023 1.00 0.00 C ATOM 554 NE ARG A 42 8.674 9.969 -0.293 1.00 0.00 N ATOM 555 CZ ARG A 42 9.113 11.209 -0.561 1.00 0.00 C ATOM 556 NH1 ARG A 42 9.205 12.113 0.407 1.00 0.00 N ATOM 557 NH2 ARG A 42 9.450 11.537 -1.799 1.00 0.00 N ATOM 0 H ARG A 42 9.015 5.763 3.381 1.00 0.00 H new ATOM 0 HA ARG A 42 8.919 5.597 0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.777 7.716 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.208 7.822 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.737 7.601 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.413 7.745 1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.213 9.958 1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.865 9.916 1.794 1.00 0.00 H new ATOM 0 HE ARG A 42 8.671 9.288 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.941 11.867 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.539 13.053 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.376 10.848 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.784 12.479 -2.004 1.00 0.00 H new ATOM 571 N ARG A 43 11.196 4.904 0.025 1.00 0.00 N ATOM 572 CA ARG A 43 12.508 4.402 -0.303 1.00 0.00 C ATOM 573 C ARG A 43 12.949 5.007 -1.607 1.00 0.00 C ATOM 574 O ARG A 43 12.286 4.835 -2.630 1.00 0.00 O ATOM 575 CB ARG A 43 12.502 2.871 -0.365 1.00 0.00 C ATOM 576 CG ARG A 43 12.061 2.239 0.945 1.00 0.00 C ATOM 577 CD ARG A 43 12.315 0.750 0.984 1.00 0.00 C ATOM 578 NE ARG A 43 12.000 0.200 2.305 1.00 0.00 N ATOM 579 CZ ARG A 43 12.044 -1.092 2.629 1.00 0.00 C ATOM 580 NH1 ARG A 43 12.392 -2.002 1.730 1.00 0.00 N ATOM 581 NH2 ARG A 43 11.734 -1.461 3.862 1.00 0.00 N ATOM 0 H ARG A 43 10.517 4.820 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 43 13.217 4.686 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.836 2.545 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.501 2.517 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.589 2.716 1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.998 2.427 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.710 0.254 0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.358 0.549 0.741 1.00 0.00 H new ATOM 0 HE ARG A 43 11.725 0.858 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.629 -1.716 0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.423 -2.988 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.465 -0.759 4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.764 -2.447 4.122 1.00 0.00 H new ATOM 595 N GLY A 44 14.049 5.732 -1.567 1.00 0.00 N ATOM 596 CA GLY A 44 14.506 6.454 -2.734 1.00 0.00 C ATOM 597 C GLY A 44 13.460 7.448 -3.209 1.00 0.00 C ATOM 598 O GLY A 44 13.211 7.573 -4.406 1.00 0.00 O ATOM 0 H GLY A 44 14.640 5.836 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.432 6.980 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.733 5.750 -3.535 1.00 0.00 H new ATOM 602 N GLY A 45 12.834 8.151 -2.257 1.00 0.00 N ATOM 603 CA GLY A 45 11.773 9.095 -2.586 1.00 0.00 C ATOM 604 C GLY A 45 10.487 8.425 -3.034 1.00 0.00 C ATOM 605 O GLY A 45 9.464 9.084 -3.207 1.00 0.00 O ATOM 0 H GLY A 45 13.046 8.081 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.566 9.716 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.121 9.761 -3.376 1.00 0.00 H new ATOM 609 N ARG A 46 10.531 7.127 -3.203 1.00 0.00 N ATOM 610 CA ARG A 46 9.381 6.386 -3.669 1.00 0.00 C ATOM 611 C ARG A 46 8.574 5.812 -2.521 1.00 0.00 C ATOM 612 O ARG A 46 9.066 4.976 -1.759 1.00 0.00 O ATOM 613 CB ARG A 46 9.793 5.293 -4.641 1.00 0.00 C ATOM 614 CG ARG A 46 10.278 5.831 -5.970 1.00 0.00 C ATOM 615 CD ARG A 46 10.581 4.707 -6.943 1.00 0.00 C ATOM 616 NE ARG A 46 10.685 5.187 -8.322 1.00 0.00 N ATOM 617 CZ ARG A 46 10.347 4.459 -9.395 1.00 0.00 C ATOM 618 NH1 ARG A 46 9.916 3.209 -9.244 1.00 0.00 N ATOM 619 NH2 ARG A 46 10.444 4.979 -10.613 1.00 0.00 N ATOM 0 H ARG A 46 11.357 6.556 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 46 8.738 7.090 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.582 4.692 -4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.946 4.629 -4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.521 6.489 -6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.174 6.433 -5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.514 4.222 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.797 3.952 -6.880 1.00 0.00 H new ATOM 0 HE ARG A 46 11.036 6.132 -8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.843 2.804 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.659 2.656 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.777 5.936 -10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.186 4.422 -11.427 1.00 0.00 H new ATOM 633 N PRO A 47 7.328 6.272 -2.366 1.00 0.00 N ATOM 634 CA PRO A 47 6.425 5.767 -1.341 1.00 0.00 C ATOM 635 C PRO A 47 5.989 4.347 -1.655 1.00 0.00 C ATOM 636 O PRO A 47 5.089 4.128 -2.446 1.00 0.00 O ATOM 637 CB PRO A 47 5.240 6.724 -1.414 1.00 0.00 C ATOM 638 CG PRO A 47 5.261 7.257 -2.799 1.00 0.00 C ATOM 639 CD PRO A 47 6.704 7.327 -3.186 1.00 0.00 C ATOM 0 HA PRO A 47 6.883 5.727 -0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.303 6.208 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.334 7.525 -0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.705 6.608 -3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.795 8.241 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.844 7.144 -4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.130 8.307 -2.973 1.00 0.00 H new ATOM 647 N THR A 48 6.626 3.399 -1.029 1.00 0.00 N ATOM 648 CA THR A 48 6.394 2.012 -1.335 1.00 0.00 C ATOM 649 C THR A 48 5.681 1.307 -0.187 1.00 0.00 C ATOM 650 O THR A 48 5.779 1.725 0.971 1.00 0.00 O ATOM 651 CB THR A 48 7.742 1.314 -1.608 1.00 0.00 C ATOM 652 OG1 THR A 48 8.570 2.177 -2.406 1.00 0.00 O ATOM 653 CG2 THR A 48 7.545 -0.006 -2.340 1.00 0.00 C ATOM 0 H THR A 48 7.317 3.561 -0.296 1.00 0.00 H new ATOM 0 HA THR A 48 5.758 1.957 -2.219 1.00 0.00 H new ATOM 0 HB THR A 48 8.219 1.107 -0.650 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.428 1.737 -2.580 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.514 -0.472 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.928 -0.670 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.051 0.177 -3.294 1.00 0.00 H new ATOM 661 N CYS A 49 4.954 0.259 -0.509 1.00 0.00 N ATOM 662 CA CYS A 49 4.298 -0.542 0.494 1.00 0.00 C ATOM 663 C CYS A 49 5.227 -1.643 0.913 1.00 0.00 C ATOM 664 O CYS A 49 5.511 -2.552 0.137 1.00 0.00 O ATOM 665 CB CYS A 49 3.003 -1.146 -0.057 1.00 0.00 C ATOM 666 SG CYS A 49 2.261 -2.423 1.011 1.00 0.00 S ATOM 0 H CYS A 49 4.803 -0.058 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 49 4.047 0.088 1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.277 -0.347 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.205 -1.580 -1.036 1.00 0.00 H new ATOM 671 N VAL A 50 5.733 -1.551 2.118 1.00 0.00 N ATOM 672 CA VAL A 50 6.651 -2.541 2.594 1.00 0.00 C ATOM 673 C VAL A 50 6.047 -3.333 3.746 1.00 0.00 C ATOM 674 O VAL A 50 5.528 -2.763 4.720 1.00 0.00 O ATOM 675 CB VAL A 50 8.025 -1.927 2.986 1.00 0.00 C ATOM 676 CG1 VAL A 50 8.599 -1.126 1.825 1.00 0.00 C ATOM 677 CG2 VAL A 50 7.908 -1.053 4.210 1.00 0.00 C ATOM 0 H VAL A 50 5.523 -0.803 2.779 1.00 0.00 H new ATOM 0 HA VAL A 50 6.839 -3.230 1.771 1.00 0.00 H new ATOM 0 HB VAL A 50 8.701 -2.749 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.561 -0.703 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.735 -1.780 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.912 -0.321 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.886 -0.640 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.210 -0.240 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.543 -1.647 5.048 1.00 0.00 H new ATOM 687 N CYS A 51 6.077 -4.636 3.623 1.00 0.00 N ATOM 688 CA CYS A 51 5.525 -5.496 4.638 1.00 0.00 C ATOM 689 C CYS A 51 6.596 -5.907 5.623 1.00 0.00 C ATOM 690 O CYS A 51 7.786 -5.889 5.313 1.00 0.00 O ATOM 691 CB CYS A 51 4.898 -6.742 4.015 1.00 0.00 C ATOM 692 SG CYS A 51 3.716 -6.411 2.667 1.00 0.00 S ATOM 0 H CYS A 51 6.480 -5.126 2.825 1.00 0.00 H new ATOM 0 HA CYS A 51 4.750 -4.938 5.163 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.695 -7.380 3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.388 -7.304 4.797 1.00 0.00 H new ATOM 697 N SER A 52 6.174 -6.249 6.807 1.00 0.00 N ATOM 698 CA SER A 52 7.059 -6.704 7.834 1.00 0.00 C ATOM 699 C SER A 52 6.419 -7.882 8.541 1.00 0.00 C ATOM 700 O SER A 52 5.199 -8.095 8.412 1.00 0.00 O ATOM 701 CB SER A 52 7.354 -5.564 8.805 1.00 0.00 C ATOM 702 OG SER A 52 7.902 -4.449 8.106 1.00 0.00 O ATOM 0 H SER A 52 5.194 -6.218 7.087 1.00 0.00 H new ATOM 0 HA SER A 52 8.007 -7.026 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.439 -5.267 9.317 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.053 -5.901 9.571 1.00 0.00 H new ATOM 0 HG SER A 52 8.085 -3.724 8.739 1.00 0.00 H new ATOM 708 N ARG A 53 7.226 -8.653 9.272 1.00 0.00 N ATOM 709 CA ARG A 53 6.750 -9.847 9.955 1.00 0.00 C ATOM 710 C ARG A 53 6.189 -10.837 8.928 1.00 0.00 C ATOM 711 O ARG A 53 5.137 -11.433 9.120 1.00 0.00 O ATOM 712 CB ARG A 53 5.682 -9.483 11.004 1.00 0.00 C ATOM 713 CG ARG A 53 6.091 -8.350 11.951 1.00 0.00 C ATOM 714 CD ARG A 53 7.474 -8.575 12.548 1.00 0.00 C ATOM 715 NE ARG A 53 7.605 -9.899 13.143 1.00 0.00 N ATOM 716 CZ ARG A 53 8.355 -10.177 14.213 1.00 0.00 C ATOM 717 NH1 ARG A 53 9.061 -9.217 14.799 1.00 0.00 N ATOM 718 NH2 ARG A 53 8.403 -11.415 14.693 1.00 0.00 N ATOM 0 H ARG A 53 8.220 -8.465 9.404 1.00 0.00 H new ATOM 0 HA ARG A 53 7.584 -10.315 10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.765 -9.197 10.488 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.452 -10.370 11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.079 -7.404 11.410 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.359 -8.267 12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.228 -8.451 11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.669 -7.816 13.306 1.00 0.00 H new ATOM 0 HE ARG A 53 7.088 -10.666 12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.031 -8.266 14.432 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.633 -9.431 15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.866 -12.157 14.244 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.977 -11.623 15.510 1.00 0.00 H new ATOM 732 N CYS A 54 6.923 -10.999 7.844 1.00 0.00 N ATOM 733 CA CYS A 54 6.509 -11.870 6.751 1.00 0.00 C ATOM 734 C CYS A 54 7.055 -13.272 6.937 1.00 0.00 C ATOM 735 O CYS A 54 7.979 -13.490 7.728 1.00 0.00 O ATOM 736 CB CYS A 54 6.957 -11.301 5.406 1.00 0.00 C ATOM 737 SG CYS A 54 6.183 -9.708 4.979 1.00 0.00 S ATOM 0 H CYS A 54 7.819 -10.535 7.692 1.00 0.00 H new ATOM 0 HA CYS A 54 5.420 -11.923 6.760 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.040 -11.175 5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.730 -12.025 4.623 1.00 0.00 H new ATOM 742 N GLY A 55 6.485 -14.225 6.214 1.00 0.00 N ATOM 743 CA GLY A 55 6.924 -15.594 6.316 1.00 0.00 C ATOM 744 C GLY A 55 6.601 -16.178 7.661 1.00 0.00 C ATOM 745 O GLY A 55 7.455 -16.789 8.304 1.00 0.00 O ATOM 0 H GLY A 55 5.722 -14.069 5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.448 -16.189 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.999 -15.646 6.145 1.00 0.00 H new ATOM 749 N ASN A 56 5.366 -15.990 8.087 1.00 0.00 N ATOM 750 CA ASN A 56 4.931 -16.462 9.385 1.00 0.00 C ATOM 751 C ASN A 56 4.160 -17.761 9.228 1.00 0.00 C ATOM 752 O ASN A 56 2.936 -17.757 9.111 1.00 0.00 O ATOM 753 CB ASN A 56 4.064 -15.409 10.089 1.00 0.00 C ATOM 754 CG ASN A 56 3.833 -15.727 11.559 1.00 0.00 C ATOM 755 OD1 ASN A 56 2.905 -16.450 11.917 1.00 0.00 O ATOM 756 ND2 ASN A 56 4.665 -15.169 12.420 1.00 0.00 N ATOM 0 H ASN A 56 4.644 -15.511 7.549 1.00 0.00 H new ATOM 0 HA ASN A 56 5.812 -16.641 10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.543 -14.434 10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.102 -15.338 9.581 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.549 -15.332 13.420 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.423 -14.575 12.085 1.00 0.00 H new ATOM 763 N GLY A 57 4.877 -18.859 9.150 1.00 0.00 N ATOM 764 CA GLY A 57 4.237 -20.145 9.026 1.00 0.00 C ATOM 765 C GLY A 57 5.134 -21.263 9.493 1.00 0.00 C ATOM 766 O GLY A 57 6.347 -21.071 9.640 1.00 0.00 O ATOM 0 H GLY A 57 5.896 -18.886 9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.316 -20.150 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.957 -20.313 7.986 1.00 0.00 H new ATOM 770 N GLY A 58 4.552 -22.420 9.722 1.00 0.00 N ATOM 771 CA GLY A 58 5.312 -23.557 10.190 1.00 0.00 C ATOM 772 C GLY A 58 4.703 -24.147 11.437 1.00 0.00 C ATOM 773 O GLY A 58 4.240 -23.409 12.314 1.00 0.00 O ATOM 0 H GLY A 58 3.556 -22.598 9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.353 -24.316 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.339 -23.252 10.393 1.00 0.00 H new ATOM 777 N GLY A 59 4.706 -25.467 11.538 1.00 0.00 N ATOM 778 CA GLY A 59 4.091 -26.132 12.674 1.00 0.00 C ATOM 779 C GLY A 59 2.579 -26.154 12.567 1.00 0.00 C ATOM 780 O GLY A 59 1.967 -27.222 12.486 1.00 0.00 O ATOM 0 H GLY A 59 5.125 -26.095 10.852 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.465 -27.154 12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.382 -25.624 13.593 1.00 0.00 H new ATOM 784 N GLU A 60 1.989 -24.970 12.537 1.00 0.00 N ATOM 785 CA GLU A 60 0.549 -24.778 12.439 1.00 0.00 C ATOM 786 C GLU A 60 0.307 -23.422 11.806 1.00 0.00 C ATOM 787 O GLU A 60 1.237 -22.616 11.701 1.00 0.00 O ATOM 788 CB GLU A 60 -0.126 -24.812 13.821 1.00 0.00 C ATOM 789 CG GLU A 60 0.021 -26.120 14.570 1.00 0.00 C ATOM 790 CD GLU A 60 -0.656 -26.086 15.916 1.00 0.00 C ATOM 791 OE1 GLU A 60 -0.190 -25.336 16.802 1.00 0.00 O ATOM 792 OE2 GLU A 60 -1.652 -26.807 16.104 1.00 0.00 O ATOM 0 H GLU A 60 2.510 -24.094 12.581 1.00 0.00 H new ATOM 0 HA GLU A 60 0.124 -25.585 11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.290 -24.011 14.432 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.188 -24.599 13.696 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.402 -26.928 13.973 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.080 -26.343 14.703 1.00 0.00 H new ATOM 799 N TRP A 61 -0.914 -23.152 11.408 1.00 0.00 N ATOM 800 CA TRP A 61 -1.219 -21.894 10.754 1.00 0.00 C ATOM 801 C TRP A 61 -1.475 -20.791 11.781 1.00 0.00 C ATOM 802 O TRP A 61 -2.143 -21.015 12.787 1.00 0.00 O ATOM 803 CB TRP A 61 -2.434 -22.045 9.844 1.00 0.00 C ATOM 804 CG TRP A 61 -2.320 -23.172 8.863 1.00 0.00 C ATOM 805 CD1 TRP A 61 -1.613 -23.179 7.695 1.00 0.00 C ATOM 806 CD2 TRP A 61 -2.943 -24.456 8.963 1.00 0.00 C ATOM 807 NE1 TRP A 61 -1.754 -24.392 7.067 1.00 0.00 N ATOM 808 CE2 TRP A 61 -2.566 -25.193 7.827 1.00 0.00 C ATOM 809 CE3 TRP A 61 -3.781 -25.055 9.909 1.00 0.00 C ATOM 810 CZ2 TRP A 61 -3.000 -26.498 7.608 1.00 0.00 C ATOM 811 CZ3 TRP A 61 -4.209 -26.348 9.689 1.00 0.00 C ATOM 812 CH2 TRP A 61 -3.818 -27.057 8.550 1.00 0.00 C ATOM 0 H TRP A 61 -1.710 -23.779 11.523 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.355 -21.613 10.151 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -3.320 -22.200 10.460 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.585 -21.114 9.297 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -1.029 -22.352 7.320 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.325 -24.654 6.180 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.087 -24.516 10.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.702 -27.048 6.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.858 -26.821 10.411 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.170 -28.069 8.411 1.00 0.00 H new ATOM 823 N PRO A 62 -0.938 -19.581 11.537 1.00 0.00 N ATOM 824 CA PRO A 62 -1.125 -18.432 12.437 1.00 0.00 C ATOM 825 C PRO A 62 -2.586 -17.982 12.491 1.00 0.00 C ATOM 826 O PRO A 62 -3.130 -17.714 13.563 1.00 0.00 O ATOM 827 CB PRO A 62 -0.252 -17.335 11.808 1.00 0.00 C ATOM 828 CG PRO A 62 -0.085 -17.743 10.383 1.00 0.00 C ATOM 829 CD PRO A 62 -0.083 -19.244 10.381 1.00 0.00 C ATOM 0 HA PRO A 62 -0.854 -18.669 13.466 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.729 -16.358 11.885 1.00 0.00 H new ATOM 0 HB3 PRO A 62 0.711 -17.260 12.312 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.896 -17.353 9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.845 -17.351 9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.485 -19.647 9.451 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.924 -19.646 10.493 1.00 0.00 H new ATOM 837 N ASN A 63 -3.214 -17.924 11.329 1.00 0.00 N ATOM 838 CA ASN A 63 -4.609 -17.504 11.211 1.00 0.00 C ATOM 839 C ASN A 63 -5.289 -18.270 10.089 1.00 0.00 C ATOM 840 O ASN A 63 -6.407 -17.945 9.687 1.00 0.00 O ATOM 841 CB ASN A 63 -4.680 -16.008 10.899 1.00 0.00 C ATOM 842 CG ASN A 63 -4.001 -15.668 9.578 1.00 0.00 C ATOM 843 OD1 ASN A 63 -2.824 -15.322 9.544 1.00 0.00 O ATOM 844 ND2 ASN A 63 -4.729 -15.806 8.487 1.00 0.00 N ATOM 0 H ASN A 63 -2.777 -18.165 10.440 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.114 -17.708 12.155 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.723 -15.694 10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.207 -15.447 11.705 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.317 -15.623 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.704 -16.096 8.558 1.00 0.00 H new ATOM 851 N LEU A 64 -4.597 -19.287 9.599 1.00 0.00 N ATOM 852 CA LEU A 64 -5.065 -20.105 8.478 1.00 0.00 C ATOM 853 C LEU A 64 -5.226 -19.274 7.205 1.00 0.00 C ATOM 854 O LEU A 64 -6.323 -18.838 6.870 1.00 0.00 O ATOM 855 CB LEU A 64 -6.374 -20.846 8.809 1.00 0.00 C ATOM 856 CG LEU A 64 -6.288 -21.856 9.949 1.00 0.00 C ATOM 857 CD1 LEU A 64 -6.551 -21.201 11.300 1.00 0.00 C ATOM 858 CD2 LEU A 64 -7.230 -23.025 9.712 1.00 0.00 C ATOM 0 H LEU A 64 -3.690 -19.574 9.966 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.296 -20.856 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.136 -20.107 9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.714 -21.365 7.913 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.269 -22.243 9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.481 -21.951 12.088 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.811 -20.420 11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.549 -20.763 11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.149 -23.731 10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.255 -22.659 9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.962 -23.525 8.781 1.00 0.00 H new ATOM 870 N PRO A 65 -4.113 -19.020 6.498 1.00 0.00 N ATOM 871 CA PRO A 65 -4.116 -18.277 5.254 1.00 0.00 C ATOM 872 C PRO A 65 -4.141 -19.222 4.054 1.00 0.00 C ATOM 873 O PRO A 65 -3.686 -18.880 2.957 1.00 0.00 O ATOM 874 CB PRO A 65 -2.778 -17.545 5.325 1.00 0.00 C ATOM 875 CG PRO A 65 -1.865 -18.479 6.074 1.00 0.00 C ATOM 876 CD PRO A 65 -2.748 -19.431 6.865 1.00 0.00 C ATOM 0 HA PRO A 65 -4.980 -17.624 5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.392 -17.330 4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.877 -16.590 5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.227 -19.030 5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.206 -17.922 6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.557 -20.471 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.576 -19.340 7.938 1.00 0.00 H new ATOM 884 N SER A 66 -4.677 -20.405 4.278 1.00 0.00 N ATOM 885 CA SER A 66 -4.741 -21.440 3.276 1.00 0.00 C ATOM 886 C SER A 66 -5.794 -22.468 3.677 1.00 0.00 C ATOM 887 O SER A 66 -6.461 -22.306 4.705 1.00 0.00 O ATOM 888 CB SER A 66 -3.366 -22.101 3.133 1.00 0.00 C ATOM 889 OG SER A 66 -2.799 -22.366 4.410 1.00 0.00 O ATOM 0 H SER A 66 -5.084 -20.674 5.174 1.00 0.00 H new ATOM 0 HA SER A 66 -5.021 -21.009 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.461 -23.031 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.702 -21.451 2.563 1.00 0.00 H new ATOM 0 HG SER A 66 -1.922 -22.789 4.297 1.00 0.00 H new ATOM 895 N ARG A 67 -5.943 -23.510 2.881 1.00 0.00 N ATOM 896 CA ARG A 67 -6.892 -24.556 3.169 1.00 0.00 C ATOM 897 C ARG A 67 -6.457 -25.838 2.470 1.00 0.00 C ATOM 898 O ARG A 67 -5.550 -25.813 1.633 1.00 0.00 O ATOM 899 CB ARG A 67 -8.306 -24.130 2.738 1.00 0.00 C ATOM 900 CG ARG A 67 -8.507 -24.007 1.234 1.00 0.00 C ATOM 901 CD ARG A 67 -9.238 -25.217 0.690 1.00 0.00 C ATOM 902 NE ARG A 67 -10.577 -25.345 1.285 1.00 0.00 N ATOM 903 CZ ARG A 67 -11.276 -26.483 1.371 1.00 0.00 C ATOM 904 NH1 ARG A 67 -10.770 -27.622 0.917 1.00 0.00 N ATOM 905 NH2 ARG A 67 -12.481 -26.478 1.934 1.00 0.00 N ATOM 0 H ARG A 67 -5.410 -23.650 2.022 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.920 -24.740 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.022 -24.853 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.538 -23.171 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.074 -23.103 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.540 -23.908 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.326 -25.135 -0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.659 -26.117 0.896 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.007 -24.500 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.840 -27.636 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.311 -28.484 0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.870 -25.608 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.016 -27.344 2.001 1.00 0.00 H new ATOM 919 N GLY A 68 -7.074 -26.944 2.817 1.00 0.00 N ATOM 920 CA GLY A 68 -6.721 -28.196 2.193 1.00 0.00 C ATOM 921 C GLY A 68 -7.915 -28.869 1.578 1.00 0.00 C ATOM 922 O GLY A 68 -8.237 -28.569 0.411 1.00 0.00 O ATOM 923 OXT GLY A 68 -8.550 -29.694 2.261 1.00 0.00 O ATOM 0 H GLY A 68 -7.813 -27.002 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.968 -28.020 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.272 -28.858 2.934 1.00 0.00 H new TER 927 GLY A 68