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+ -135:sc= 0.0977 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 165:sc= 1.05 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00646 USER MOD Single : A 12 MET CE :methyl 141:sc= -2.4! (180deg=-2.98!) USER MOD Single : A 13 ASN : amide:sc= -0.441! X(o=-0.44!,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.444 K(o=-0.44,f=-2.1) USER MOD Single : A 28 SER OG : rot 88:sc= 1.24 USER MOD Single : A 29 SER OG : rot -34:sc= 1.23 USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0074 (180deg=-0.413) USER MOD Single : A 33 GLN : amide:sc= 0.0135 X(o=0.013,f=0) USER MOD Single : A 34 ASN : amide:sc= 0.0921 X(o=0.092,f=-0.052) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 39 HIS : no HD1:sc= 0.818 K(o=0.82,f=-3.1!) USER MOD Single : A 48 THR OG1 : rot 66:sc= 0.557 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.3 K(o=-0.3,f=-6!) USER MOD Single : A 63 ASN : amide:sc= 0.555 K(o=0.56,f=-4.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.885 2.226 -18.047 1.00 0.00 N ATOM 2 CA GLY A 1 1.485 2.103 -18.479 1.00 0.00 C ATOM 3 C GLY A 1 0.677 3.317 -18.113 1.00 0.00 C ATOM 4 O GLY A 1 1.233 4.342 -17.705 1.00 0.00 O ATOM 0 H1 GLY A 1 3.514 1.920 -18.817 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.089 3.217 -17.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.044 1.628 -17.211 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.450 1.955 -19.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.040 1.219 -18.022 1.00 0.00 H new ATOM 10 N SER A 2 -0.625 3.215 -18.252 1.00 0.00 N ATOM 11 CA SER A 2 -1.509 4.307 -17.923 1.00 0.00 C ATOM 12 C SER A 2 -2.068 4.126 -16.515 1.00 0.00 C ATOM 13 O SER A 2 -3.075 3.433 -16.316 1.00 0.00 O ATOM 14 CB SER A 2 -2.643 4.384 -18.943 1.00 0.00 C ATOM 15 OG SER A 2 -2.127 4.463 -20.267 1.00 0.00 O ATOM 0 H SER A 2 -1.098 2.378 -18.594 1.00 0.00 H new ATOM 0 HA SER A 2 -0.947 5.241 -17.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.283 3.507 -18.849 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.265 5.255 -18.737 1.00 0.00 H new ATOM 0 HG SER A 2 -2.869 4.510 -20.905 1.00 0.00 H new ATOM 21 N ALA A 3 -1.395 4.712 -15.537 1.00 0.00 N ATOM 22 CA ALA A 3 -1.811 4.602 -14.153 1.00 0.00 C ATOM 23 C ALA A 3 -1.255 5.751 -13.329 1.00 0.00 C ATOM 24 O ALA A 3 -0.112 6.166 -13.521 1.00 0.00 O ATOM 25 CB ALA A 3 -1.352 3.272 -13.572 1.00 0.00 C ATOM 0 H ALA A 3 -0.554 5.271 -15.681 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.899 4.649 -14.118 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.670 3.200 -12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.792 2.454 -14.143 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.265 3.208 -13.624 1.00 0.00 H new ATOM 31 N LEU A 4 -2.067 6.266 -12.425 1.00 0.00 N ATOM 32 CA LEU A 4 -1.642 7.348 -11.553 1.00 0.00 C ATOM 33 C LEU A 4 -0.869 6.808 -10.361 1.00 0.00 C ATOM 34 O LEU A 4 0.177 7.340 -9.989 1.00 0.00 O ATOM 35 CB LEU A 4 -2.832 8.209 -11.074 1.00 0.00 C ATOM 36 CG LEU A 4 -3.886 7.544 -10.167 1.00 0.00 C ATOM 37 CD1 LEU A 4 -4.642 8.605 -9.389 1.00 0.00 C ATOM 38 CD2 LEU A 4 -4.870 6.714 -10.982 1.00 0.00 C ATOM 0 H LEU A 4 -3.026 5.953 -12.274 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.985 7.991 -12.139 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.428 9.070 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.344 8.592 -11.957 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.365 6.881 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.385 8.128 -8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.944 9.171 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.141 9.280 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.601 6.258 -10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.383 7.357 -11.697 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.331 5.933 -11.518 1.00 0.00 H new ATOM 50 N ASP A 5 -1.380 5.763 -9.770 1.00 0.00 N ATOM 51 CA ASP A 5 -0.736 5.136 -8.639 1.00 0.00 C ATOM 52 C ASP A 5 0.061 3.935 -9.105 1.00 0.00 C ATOM 53 O ASP A 5 -0.486 3.031 -9.736 1.00 0.00 O ATOM 54 CB ASP A 5 -1.776 4.707 -7.607 1.00 0.00 C ATOM 55 CG ASP A 5 -2.486 5.873 -6.955 1.00 0.00 C ATOM 56 OD1 ASP A 5 -1.859 6.580 -6.143 1.00 0.00 O ATOM 57 OD2 ASP A 5 -3.676 6.082 -7.253 1.00 0.00 O ATOM 0 H ASP A 5 -2.253 5.319 -10.055 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.061 5.854 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.513 4.065 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.289 4.110 -6.836 1.00 0.00 H new ATOM 62 N PHE A 6 1.349 3.919 -8.809 1.00 0.00 N ATOM 63 CA PHE A 6 2.198 2.809 -9.219 1.00 0.00 C ATOM 64 C PHE A 6 2.448 1.875 -8.044 1.00 0.00 C ATOM 65 O PHE A 6 2.806 0.712 -8.217 1.00 0.00 O ATOM 66 CB PHE A 6 3.529 3.313 -9.815 1.00 0.00 C ATOM 67 CG PHE A 6 4.501 3.913 -8.823 1.00 0.00 C ATOM 68 CD1 PHE A 6 4.234 5.123 -8.197 1.00 0.00 C ATOM 69 CD2 PHE A 6 5.690 3.261 -8.527 1.00 0.00 C ATOM 70 CE1 PHE A 6 5.136 5.667 -7.295 1.00 0.00 C ATOM 71 CE2 PHE A 6 6.592 3.801 -7.631 1.00 0.00 C ATOM 72 CZ PHE A 6 6.316 5.002 -7.013 1.00 0.00 C ATOM 0 H PHE A 6 1.829 4.655 -8.291 1.00 0.00 H new ATOM 0 HA PHE A 6 1.679 2.253 -10.000 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.019 2.480 -10.320 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.306 4.060 -10.576 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.314 5.646 -8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.913 2.318 -9.004 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.918 6.609 -6.813 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.514 3.282 -7.414 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.020 5.423 -6.310 1.00 0.00 H new ATOM 82 N THR A 7 2.259 2.401 -6.853 1.00 0.00 N ATOM 83 CA THR A 7 2.418 1.636 -5.644 1.00 0.00 C ATOM 84 C THR A 7 1.140 1.678 -4.821 1.00 0.00 C ATOM 85 O THR A 7 0.315 2.584 -4.987 1.00 0.00 O ATOM 86 CB THR A 7 3.581 2.174 -4.798 1.00 0.00 C ATOM 87 OG1 THR A 7 3.537 3.605 -4.775 1.00 0.00 O ATOM 88 CG2 THR A 7 4.918 1.708 -5.343 1.00 0.00 C ATOM 0 H THR A 7 1.990 3.373 -6.700 1.00 0.00 H new ATOM 0 HA THR A 7 2.637 0.607 -5.929 1.00 0.00 H new ATOM 0 HB THR A 7 3.475 1.787 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.119 3.939 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.722 2.105 -4.723 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.956 0.619 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.038 2.065 -6.366 1.00 0.00 H new ATOM 96 N SER A 8 0.970 0.709 -3.940 1.00 0.00 N ATOM 97 CA SER A 8 -0.193 0.662 -3.069 1.00 0.00 C ATOM 98 C SER A 8 -0.214 1.871 -2.126 1.00 0.00 C ATOM 99 O SER A 8 -1.271 2.322 -1.690 1.00 0.00 O ATOM 100 CB SER A 8 -0.168 -0.631 -2.260 1.00 0.00 C ATOM 101 OG SER A 8 0.165 -1.730 -3.090 1.00 0.00 O ATOM 0 H SER A 8 1.626 -0.061 -3.808 1.00 0.00 H new ATOM 0 HA SER A 8 -1.094 0.692 -3.682 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.557 -0.546 -1.451 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.142 -0.798 -1.800 1.00 0.00 H new ATOM 0 HG SER A 8 0.178 -2.551 -2.556 1.00 0.00 H new ATOM 107 N CYS A 9 0.964 2.402 -1.838 1.00 0.00 N ATOM 108 CA CYS A 9 1.089 3.518 -0.923 1.00 0.00 C ATOM 109 C CYS A 9 1.358 4.834 -1.630 1.00 0.00 C ATOM 110 O CYS A 9 1.775 5.796 -1.002 1.00 0.00 O ATOM 111 CB CYS A 9 2.170 3.239 0.102 1.00 0.00 C ATOM 112 SG CYS A 9 1.701 1.989 1.326 1.00 0.00 S ATOM 0 H CYS A 9 1.848 2.075 -2.228 1.00 0.00 H new ATOM 0 HA CYS A 9 0.128 3.623 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.072 2.910 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.418 4.166 0.618 1.00 0.00 H new ATOM 117 N ALA A 10 1.111 4.886 -2.927 1.00 0.00 N ATOM 118 CA ALA A 10 1.304 6.123 -3.678 1.00 0.00 C ATOM 119 C ALA A 10 0.362 7.219 -3.162 1.00 0.00 C ATOM 120 O ALA A 10 0.708 8.411 -3.151 1.00 0.00 O ATOM 121 CB ALA A 10 1.095 5.883 -5.162 1.00 0.00 C ATOM 0 H ALA A 10 0.779 4.097 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 10 2.330 6.461 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.243 6.816 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.810 5.140 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.081 5.520 -5.333 1.00 0.00 H new ATOM 127 N ARG A 11 -0.816 6.799 -2.691 1.00 0.00 N ATOM 128 CA ARG A 11 -1.805 7.711 -2.136 1.00 0.00 C ATOM 129 C ARG A 11 -1.310 8.400 -0.871 1.00 0.00 C ATOM 130 O ARG A 11 -1.951 9.318 -0.384 1.00 0.00 O ATOM 131 CB ARG A 11 -3.171 7.036 -1.902 1.00 0.00 C ATOM 132 CG ARG A 11 -3.120 5.552 -1.572 1.00 0.00 C ATOM 133 CD ARG A 11 -3.385 4.700 -2.808 1.00 0.00 C ATOM 134 NE ARG A 11 -4.689 5.001 -3.412 1.00 0.00 N ATOM 135 CZ ARG A 11 -5.234 4.327 -4.433 1.00 0.00 C ATOM 136 NH1 ARG A 11 -4.603 3.290 -4.966 1.00 0.00 N ATOM 137 NH2 ARG A 11 -6.418 4.694 -4.915 1.00 0.00 N ATOM 0 H ARG A 11 -1.104 5.821 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.954 8.482 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.678 7.554 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.781 7.171 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.143 5.303 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.859 5.322 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.597 4.870 -3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.345 3.645 -2.537 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.219 5.782 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.696 3.001 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.024 2.781 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.911 5.489 -4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.833 4.181 -5.693 1.00 0.00 H new ATOM 151 N MET A 12 -0.165 7.953 -0.326 1.00 0.00 N ATOM 152 CA MET A 12 0.421 8.608 0.852 1.00 0.00 C ATOM 153 C MET A 12 0.687 10.099 0.561 1.00 0.00 C ATOM 154 O MET A 12 0.934 10.879 1.472 1.00 0.00 O ATOM 155 CB MET A 12 1.743 7.946 1.286 1.00 0.00 C ATOM 156 CG MET A 12 2.920 8.278 0.376 1.00 0.00 C ATOM 157 SD MET A 12 4.529 8.016 1.165 1.00 0.00 S ATOM 158 CE MET A 12 4.458 6.272 1.539 1.00 0.00 C ATOM 0 H MET A 12 0.364 7.154 -0.676 1.00 0.00 H new ATOM 0 HA MET A 12 -0.301 8.503 1.662 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.980 8.260 2.302 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.607 6.865 1.310 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.860 7.665 -0.523 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.843 9.318 0.059 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.434 5.821 1.360 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.181 6.135 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.715 5.793 0.901 1.00 0.00 H new ATOM 168 N ASN A 13 0.608 10.487 -0.721 1.00 0.00 N ATOM 169 CA ASN A 13 0.876 11.858 -1.136 1.00 0.00 C ATOM 170 C ASN A 13 -0.433 12.580 -1.412 1.00 0.00 C ATOM 171 O ASN A 13 -0.458 13.616 -2.079 1.00 0.00 O ATOM 172 CB ASN A 13 1.724 11.876 -2.415 1.00 0.00 C ATOM 173 CG ASN A 13 3.050 11.173 -2.262 1.00 0.00 C ATOM 174 OD1 ASN A 13 4.033 11.771 -1.850 1.00 0.00 O ATOM 175 ND2 ASN A 13 3.093 9.903 -2.616 1.00 0.00 N ATOM 0 H ASN A 13 0.359 9.861 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 13 1.418 12.358 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.162 11.405 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.901 12.910 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.969 9.385 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.250 9.439 -2.955 1.00 0.00 H new ATOM 182 N ASP A 14 -1.517 12.042 -0.885 1.00 0.00 N ATOM 183 CA ASP A 14 -2.843 12.600 -1.118 1.00 0.00 C ATOM 184 C ASP A 14 -3.388 13.168 0.188 1.00 0.00 C ATOM 185 O ASP A 14 -4.594 13.270 0.394 1.00 0.00 O ATOM 186 CB ASP A 14 -3.785 11.511 -1.683 1.00 0.00 C ATOM 187 CG ASP A 14 -5.065 12.074 -2.278 1.00 0.00 C ATOM 188 OD1 ASP A 14 -4.981 12.797 -3.292 1.00 0.00 O ATOM 189 OD2 ASP A 14 -6.160 11.767 -1.764 1.00 0.00 O ATOM 0 H ASP A 14 -1.508 11.214 -0.289 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.779 13.404 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.255 10.944 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.039 10.812 -0.887 1.00 0.00 H new ATOM 194 N GLY A 15 -2.477 13.559 1.063 1.00 0.00 N ATOM 195 CA GLY A 15 -2.861 14.099 2.344 1.00 0.00 C ATOM 196 C GLY A 15 -2.980 13.029 3.403 1.00 0.00 C ATOM 197 O GLY A 15 -2.634 11.863 3.160 1.00 0.00 O ATOM 0 H GLY A 15 -1.470 13.510 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.126 14.839 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.814 14.618 2.246 1.00 0.00 H new ATOM 201 N ALA A 16 -3.449 13.417 4.580 1.00 0.00 N ATOM 202 CA ALA A 16 -3.641 12.488 5.687 1.00 0.00 C ATOM 203 C ALA A 16 -4.647 11.402 5.324 1.00 0.00 C ATOM 204 O ALA A 16 -4.521 10.255 5.757 1.00 0.00 O ATOM 205 CB ALA A 16 -4.097 13.239 6.926 1.00 0.00 C ATOM 0 H ALA A 16 -3.707 14.380 4.795 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.687 12.005 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.237 12.536 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.342 13.975 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.039 13.746 6.718 1.00 0.00 H new ATOM 211 N LEU A 17 -5.639 11.766 4.519 1.00 0.00 N ATOM 212 CA LEU A 17 -6.642 10.814 4.075 1.00 0.00 C ATOM 213 C LEU A 17 -5.978 9.801 3.154 1.00 0.00 C ATOM 214 O LEU A 17 -6.215 8.600 3.258 1.00 0.00 O ATOM 215 CB LEU A 17 -7.786 11.538 3.349 1.00 0.00 C ATOM 216 CG LEU A 17 -9.197 10.940 3.517 1.00 0.00 C ATOM 217 CD1 LEU A 17 -9.285 9.544 2.922 1.00 0.00 C ATOM 218 CD2 LEU A 17 -9.599 10.921 4.988 1.00 0.00 C ATOM 0 H LEU A 17 -5.767 12.713 4.163 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.068 10.300 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.810 12.571 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.552 11.565 2.285 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.894 11.577 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.293 9.153 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.053 9.587 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.571 8.889 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.598 10.496 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.889 10.315 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.598 11.939 5.379 1.00 0.00 H new ATOM 230 N GLY A 18 -5.125 10.302 2.266 1.00 0.00 N ATOM 231 CA GLY A 18 -4.380 9.440 1.375 1.00 0.00 C ATOM 232 C GLY A 18 -3.514 8.471 2.139 1.00 0.00 C ATOM 233 O GLY A 18 -3.425 7.305 1.782 1.00 0.00 O ATOM 0 H GLY A 18 -4.938 11.298 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.072 8.888 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.757 10.046 0.717 1.00 0.00 H new ATOM 237 N ALA A 19 -2.864 8.966 3.189 1.00 0.00 N ATOM 238 CA ALA A 19 -2.036 8.131 4.054 1.00 0.00 C ATOM 239 C ALA A 19 -2.869 7.011 4.662 1.00 0.00 C ATOM 240 O ALA A 19 -2.404 5.881 4.811 1.00 0.00 O ATOM 241 CB ALA A 19 -1.393 8.969 5.147 1.00 0.00 C ATOM 0 H ALA A 19 -2.896 9.948 3.462 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.244 7.687 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.780 8.330 5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.768 9.739 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.170 9.440 5.749 1.00 0.00 H new ATOM 247 N LYS A 20 -4.113 7.336 4.984 1.00 0.00 N ATOM 248 CA LYS A 20 -5.032 6.382 5.567 1.00 0.00 C ATOM 249 C LYS A 20 -5.391 5.313 4.544 1.00 0.00 C ATOM 250 O LYS A 20 -5.395 4.117 4.855 1.00 0.00 O ATOM 251 CB LYS A 20 -6.298 7.096 6.036 1.00 0.00 C ATOM 252 CG LYS A 20 -6.751 6.707 7.431 1.00 0.00 C ATOM 253 CD LYS A 20 -5.749 7.146 8.491 1.00 0.00 C ATOM 254 CE LYS A 20 -5.590 8.660 8.516 1.00 0.00 C ATOM 255 NZ LYS A 20 -4.744 9.111 9.649 1.00 0.00 N ATOM 0 H LYS A 20 -4.508 8.266 4.847 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.552 5.908 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.126 8.172 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.103 6.884 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.721 7.159 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.885 5.626 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.078 6.797 9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.783 6.681 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.147 8.994 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.572 9.127 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.661 10.148 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.179 8.815 10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.798 8.687 9.566 1.00 0.00 H new ATOM 269 N VAL A 21 -5.691 5.751 3.326 1.00 0.00 N ATOM 270 CA VAL A 21 -6.000 4.838 2.233 1.00 0.00 C ATOM 271 C VAL A 21 -4.786 3.969 1.922 1.00 0.00 C ATOM 272 O VAL A 21 -4.900 2.750 1.744 1.00 0.00 O ATOM 273 CB VAL A 21 -6.409 5.606 0.947 1.00 0.00 C ATOM 274 CG1 VAL A 21 -6.798 4.637 -0.156 1.00 0.00 C ATOM 275 CG2 VAL A 21 -7.547 6.575 1.232 1.00 0.00 C ATOM 0 H VAL A 21 -5.727 6.738 3.071 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.838 4.218 2.551 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.547 6.183 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.081 5.196 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.952 3.990 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.641 4.029 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.815 7.101 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.412 6.023 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.230 7.297 1.985 1.00 0.00 H new ATOM 285 N ALA A 22 -3.632 4.614 1.863 1.00 0.00 N ATOM 286 CA ALA A 22 -2.372 3.954 1.576 1.00 0.00 C ATOM 287 C ALA A 22 -2.065 2.868 2.592 1.00 0.00 C ATOM 288 O ALA A 22 -1.799 1.728 2.221 1.00 0.00 O ATOM 289 CB ALA A 22 -1.246 4.976 1.544 1.00 0.00 C ATOM 0 H ALA A 22 -3.545 5.619 2.015 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.458 3.479 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.304 4.473 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.448 5.716 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.178 5.473 2.512 1.00 0.00 H new ATOM 295 N GLN A 23 -2.106 3.222 3.873 1.00 0.00 N ATOM 296 CA GLN A 23 -1.793 2.268 4.927 1.00 0.00 C ATOM 297 C GLN A 23 -2.760 1.091 4.898 1.00 0.00 C ATOM 298 O GLN A 23 -2.352 -0.052 5.052 1.00 0.00 O ATOM 299 CB GLN A 23 -1.776 2.937 6.311 1.00 0.00 C ATOM 300 CG GLN A 23 -3.144 3.214 6.904 1.00 0.00 C ATOM 301 CD GLN A 23 -3.064 3.887 8.257 1.00 0.00 C ATOM 302 OE1 GLN A 23 -3.041 5.113 8.358 1.00 0.00 O ATOM 303 NE2 GLN A 23 -3.022 3.093 9.306 1.00 0.00 N ATOM 0 H GLN A 23 -2.351 4.156 4.203 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.789 1.887 4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.220 2.300 6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.231 3.878 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.711 3.846 6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.691 2.276 7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.043 2.081 9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.968 3.490 10.244 1.00 0.00 H new ATOM 312 N ALA A 24 -4.037 1.377 4.660 1.00 0.00 N ATOM 313 CA ALA A 24 -5.059 0.338 4.603 1.00 0.00 C ATOM 314 C ALA A 24 -4.780 -0.613 3.457 1.00 0.00 C ATOM 315 O ALA A 24 -4.846 -1.839 3.614 1.00 0.00 O ATOM 316 CB ALA A 24 -6.435 0.962 4.441 1.00 0.00 C ATOM 0 H ALA A 24 -4.388 2.322 4.503 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.036 -0.224 5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.189 0.176 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.640 1.617 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.465 1.542 3.519 1.00 0.00 H new ATOM 322 N ALA A 25 -4.462 -0.042 2.306 1.00 0.00 N ATOM 323 CA ALA A 25 -4.130 -0.818 1.128 1.00 0.00 C ATOM 324 C ALA A 25 -2.868 -1.627 1.367 1.00 0.00 C ATOM 325 O ALA A 25 -2.760 -2.774 0.936 1.00 0.00 O ATOM 326 CB ALA A 25 -3.945 0.096 -0.073 1.00 0.00 C ATOM 0 H ALA A 25 -4.428 0.968 2.165 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.952 -1.504 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.696 -0.501 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.868 0.645 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.138 0.801 0.127 1.00 0.00 H new ATOM 332 N CYS A 26 -1.931 -1.035 2.092 1.00 0.00 N ATOM 333 CA CYS A 26 -0.657 -1.663 2.363 1.00 0.00 C ATOM 334 C CYS A 26 -0.829 -2.846 3.298 1.00 0.00 C ATOM 335 O CYS A 26 -0.440 -3.966 2.969 1.00 0.00 O ATOM 336 CB CYS A 26 0.310 -0.650 2.973 1.00 0.00 C ATOM 337 SG CYS A 26 1.997 -1.280 3.180 1.00 0.00 S ATOM 0 H CYS A 26 -2.037 -0.109 2.506 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.246 -2.025 1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.339 0.237 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.072 -0.336 3.944 1.00 0.00 H new ATOM 342 N ILE A 27 -1.459 -2.604 4.442 1.00 0.00 N ATOM 343 CA ILE A 27 -1.668 -3.643 5.437 1.00 0.00 C ATOM 344 C ILE A 27 -2.372 -4.830 4.815 1.00 0.00 C ATOM 345 O ILE A 27 -1.916 -5.964 4.943 1.00 0.00 O ATOM 346 CB ILE A 27 -2.515 -3.124 6.626 1.00 0.00 C ATOM 347 CG1 ILE A 27 -1.838 -1.926 7.293 1.00 0.00 C ATOM 348 CG2 ILE A 27 -2.740 -4.232 7.643 1.00 0.00 C ATOM 349 CD1 ILE A 27 -2.746 -1.162 8.235 1.00 0.00 C ATOM 0 H ILE A 27 -1.835 -1.692 4.702 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.688 -3.943 5.807 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.482 -2.802 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.965 -2.274 7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.476 -1.247 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.337 -3.850 8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.266 -5.060 7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.778 -4.581 8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.198 -0.327 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.607 -0.783 7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.088 -1.826 9.029 1.00 0.00 H new ATOM 361 N SER A 28 -3.456 -4.562 4.110 1.00 0.00 N ATOM 362 CA SER A 28 -4.227 -5.610 3.481 1.00 0.00 C ATOM 363 C SER A 28 -3.384 -6.408 2.474 1.00 0.00 C ATOM 364 O SER A 28 -3.421 -7.643 2.474 1.00 0.00 O ATOM 365 CB SER A 28 -5.466 -5.031 2.817 1.00 0.00 C ATOM 366 OG SER A 28 -6.190 -4.206 3.725 1.00 0.00 O ATOM 0 H SER A 28 -3.821 -3.621 3.960 1.00 0.00 H new ATOM 0 HA SER A 28 -4.543 -6.305 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.176 -4.449 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.106 -5.840 2.464 1.00 0.00 H new ATOM 0 HG SER A 28 -5.838 -3.292 3.688 1.00 0.00 H new ATOM 372 N SER A 29 -2.613 -5.707 1.635 1.00 0.00 N ATOM 373 CA SER A 29 -1.770 -6.374 0.643 1.00 0.00 C ATOM 374 C SER A 29 -0.733 -7.260 1.326 1.00 0.00 C ATOM 375 O SER A 29 -0.374 -8.330 0.822 1.00 0.00 O ATOM 376 CB SER A 29 -1.091 -5.352 -0.286 1.00 0.00 C ATOM 377 OG SER A 29 -0.120 -4.567 0.394 1.00 0.00 O ATOM 0 H SER A 29 -2.557 -4.689 1.624 1.00 0.00 H new ATOM 0 HA SER A 29 -2.410 -7.008 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.615 -5.877 -1.114 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.848 -4.697 -0.717 1.00 0.00 H new ATOM 0 HG SER A 29 -0.410 -4.416 1.318 1.00 0.00 H new ATOM 383 N CYS A 30 -0.262 -6.813 2.480 1.00 0.00 N ATOM 384 CA CYS A 30 0.705 -7.556 3.243 1.00 0.00 C ATOM 385 C CYS A 30 0.089 -8.844 3.774 1.00 0.00 C ATOM 386 O CYS A 30 0.677 -9.914 3.671 1.00 0.00 O ATOM 387 CB CYS A 30 1.238 -6.689 4.374 1.00 0.00 C ATOM 388 SG CYS A 30 2.172 -5.246 3.790 1.00 0.00 S ATOM 0 H CYS A 30 -0.543 -5.929 2.904 1.00 0.00 H new ATOM 0 HA CYS A 30 1.539 -7.833 2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.403 -6.349 4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.879 -7.294 5.015 1.00 0.00 H new ATOM 393 N LYS A 31 -1.101 -8.734 4.328 1.00 0.00 N ATOM 394 CA LYS A 31 -1.823 -9.891 4.849 1.00 0.00 C ATOM 395 C LYS A 31 -2.006 -10.954 3.760 1.00 0.00 C ATOM 396 O LYS A 31 -1.845 -12.148 4.015 1.00 0.00 O ATOM 397 CB LYS A 31 -3.184 -9.447 5.374 1.00 0.00 C ATOM 398 CG LYS A 31 -3.106 -8.276 6.340 1.00 0.00 C ATOM 399 CD LYS A 31 -4.430 -7.540 6.428 1.00 0.00 C ATOM 400 CE LYS A 31 -5.308 -8.038 7.565 1.00 0.00 C ATOM 401 NZ LYS A 31 -5.725 -9.456 7.400 1.00 0.00 N ATOM 0 H LYS A 31 -1.598 -7.849 4.432 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.242 -10.329 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.818 -9.171 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.665 -10.288 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.822 -8.637 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.326 -7.587 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.240 -6.475 6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.966 -7.652 5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.769 -7.931 8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.196 -7.410 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.499 -9.669 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.050 -9.611 6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.918 -10.081 7.599 1.00 0.00 H new ATOM 415 N PHE A 32 -2.327 -10.505 2.547 1.00 0.00 N ATOM 416 CA PHE A 32 -2.513 -11.394 1.406 1.00 0.00 C ATOM 417 C PHE A 32 -1.256 -12.214 1.094 1.00 0.00 C ATOM 418 O PHE A 32 -1.349 -13.368 0.668 1.00 0.00 O ATOM 419 CB PHE A 32 -2.928 -10.589 0.174 1.00 0.00 C ATOM 420 CG PHE A 32 -4.347 -10.083 0.216 1.00 0.00 C ATOM 421 CD1 PHE A 32 -5.374 -10.888 0.685 1.00 0.00 C ATOM 422 CD2 PHE A 32 -4.651 -8.801 -0.210 1.00 0.00 C ATOM 423 CE1 PHE A 32 -6.672 -10.423 0.726 1.00 0.00 C ATOM 424 CE2 PHE A 32 -5.950 -8.332 -0.169 1.00 0.00 C ATOM 425 CZ PHE A 32 -6.960 -9.143 0.299 1.00 0.00 C ATOM 0 H PHE A 32 -2.465 -9.518 2.330 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.303 -12.096 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.254 -9.739 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.802 -11.211 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.155 -11.890 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.864 -8.160 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.463 -11.061 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.173 -7.330 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.976 -8.778 0.332 1.00 0.00 H new ATOM 435 N GLN A 33 -0.091 -11.630 1.320 1.00 0.00 N ATOM 436 CA GLN A 33 1.170 -12.311 1.038 1.00 0.00 C ATOM 437 C GLN A 33 1.738 -12.961 2.299 1.00 0.00 C ATOM 438 O GLN A 33 2.911 -13.326 2.349 1.00 0.00 O ATOM 439 CB GLN A 33 2.180 -11.336 0.421 1.00 0.00 C ATOM 440 CG GLN A 33 2.453 -10.116 1.272 1.00 0.00 C ATOM 441 CD GLN A 33 3.350 -9.113 0.591 1.00 0.00 C ATOM 442 OE1 GLN A 33 4.574 -9.173 0.707 1.00 0.00 O ATOM 443 NE2 GLN A 33 2.749 -8.179 -0.115 1.00 0.00 N ATOM 0 H GLN A 33 0.012 -10.688 1.697 1.00 0.00 H new ATOM 0 HA GLN A 33 0.974 -13.104 0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.118 -11.862 0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.810 -11.013 -0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.507 -9.637 1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.913 -10.429 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.731 -8.167 -0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.301 -7.467 -0.593 1.00 0.00 H new ATOM 452 N ASN A 34 0.878 -13.103 3.309 1.00 0.00 N ATOM 453 CA ASN A 34 1.228 -13.738 4.587 1.00 0.00 C ATOM 454 C ASN A 34 2.220 -12.884 5.369 1.00 0.00 C ATOM 455 O ASN A 34 3.267 -13.359 5.822 1.00 0.00 O ATOM 456 CB ASN A 34 1.778 -15.163 4.385 1.00 0.00 C ATOM 457 CG ASN A 34 1.691 -16.013 5.650 1.00 0.00 C ATOM 458 OD1 ASN A 34 0.711 -16.718 5.865 1.00 0.00 O ATOM 459 ND2 ASN A 34 2.703 -15.942 6.495 1.00 0.00 N ATOM 0 H ASN A 34 -0.088 -12.779 3.266 1.00 0.00 H new ATOM 0 HA ASN A 34 0.310 -13.818 5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.223 -15.652 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.817 -15.104 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.685 -16.484 7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.503 -15.345 6.284 1.00 0.00 H new ATOM 466 N CYS A 35 1.904 -11.622 5.494 1.00 0.00 N ATOM 467 CA CYS A 35 2.699 -10.715 6.277 1.00 0.00 C ATOM 468 C CYS A 35 1.885 -10.215 7.449 1.00 0.00 C ATOM 469 O CYS A 35 0.700 -9.892 7.303 1.00 0.00 O ATOM 470 CB CYS A 35 3.197 -9.553 5.430 1.00 0.00 C ATOM 471 SG CYS A 35 4.398 -10.026 4.142 1.00 0.00 S ATOM 0 H CYS A 35 1.088 -11.194 5.056 1.00 0.00 H new ATOM 0 HA CYS A 35 3.574 -11.246 6.651 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.342 -9.072 4.955 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.656 -8.812 6.084 1.00 0.00 H new ATOM 476 N GLY A 36 2.512 -10.176 8.604 1.00 0.00 N ATOM 477 CA GLY A 36 1.835 -9.769 9.820 1.00 0.00 C ATOM 478 C GLY A 36 1.315 -8.354 9.764 1.00 0.00 C ATOM 479 O GLY A 36 0.225 -8.069 10.251 1.00 0.00 O ATOM 0 H GLY A 36 3.494 -10.422 8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.004 -10.448 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.523 -9.864 10.660 1.00 0.00 H new ATOM 483 N THR A 37 2.079 -7.471 9.162 1.00 0.00 N ATOM 484 CA THR A 37 1.674 -6.093 9.078 1.00 0.00 C ATOM 485 C THR A 37 2.316 -5.394 7.887 1.00 0.00 C ATOM 486 O THR A 37 3.263 -5.908 7.278 1.00 0.00 O ATOM 487 CB THR A 37 2.011 -5.336 10.398 1.00 0.00 C ATOM 488 OG1 THR A 37 1.617 -3.957 10.311 1.00 0.00 O ATOM 489 CG2 THR A 37 3.498 -5.426 10.715 1.00 0.00 C ATOM 0 H THR A 37 2.977 -7.683 8.727 1.00 0.00 H new ATOM 0 HA THR A 37 0.594 -6.078 8.933 1.00 0.00 H new ATOM 0 HB THR A 37 1.452 -5.813 11.203 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.836 -3.501 11.150 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.706 -4.890 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.783 -6.472 10.830 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.071 -4.981 9.901 1.00 0.00 H new ATOM 497 N GLY A 38 1.780 -4.236 7.565 1.00 0.00 N ATOM 498 CA GLY A 38 2.281 -3.449 6.475 1.00 0.00 C ATOM 499 C GLY A 38 2.225 -1.976 6.780 1.00 0.00 C ATOM 500 O GLY A 38 1.338 -1.523 7.512 1.00 0.00 O ATOM 0 H GLY A 38 0.987 -3.821 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.310 -3.737 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.698 -3.657 5.578 1.00 0.00 H new ATOM 504 N HIS A 39 3.170 -1.228 6.251 1.00 0.00 N ATOM 505 CA HIS A 39 3.191 0.207 6.440 1.00 0.00 C ATOM 506 C HIS A 39 3.817 0.876 5.237 1.00 0.00 C ATOM 507 O HIS A 39 4.663 0.290 4.555 1.00 0.00 O ATOM 508 CB HIS A 39 3.925 0.611 7.744 1.00 0.00 C ATOM 509 CG HIS A 39 5.432 0.529 7.703 1.00 0.00 C ATOM 510 ND1 HIS A 39 6.146 -0.530 8.213 1.00 0.00 N ATOM 511 CD2 HIS A 39 6.356 1.415 7.250 1.00 0.00 C ATOM 512 CE1 HIS A 39 7.438 -0.292 8.084 1.00 0.00 C ATOM 513 NE2 HIS A 39 7.592 0.885 7.502 1.00 0.00 N ATOM 0 H HIS A 39 3.936 -1.592 5.685 1.00 0.00 H new ATOM 0 HA HIS A 39 2.160 0.547 6.540 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.642 1.633 7.996 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.567 -0.027 8.552 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.152 2.364 6.777 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.235 -0.948 8.401 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.484 1.325 7.278 1.00 0.00 H new ATOM 522 N CYS A 40 3.415 2.086 4.976 1.00 0.00 N ATOM 523 CA CYS A 40 3.929 2.804 3.846 1.00 0.00 C ATOM 524 C CYS A 40 5.241 3.459 4.191 1.00 0.00 C ATOM 525 O CYS A 40 5.334 4.237 5.138 1.00 0.00 O ATOM 526 CB CYS A 40 2.916 3.825 3.369 1.00 0.00 C ATOM 527 SG CYS A 40 1.306 3.092 2.980 1.00 0.00 S ATOM 0 H CYS A 40 2.730 2.598 5.533 1.00 0.00 H new ATOM 0 HA CYS A 40 4.110 2.100 3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.786 4.587 4.137 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.304 4.328 2.483 1.00 0.00 H new ATOM 532 N GLU A 41 6.252 3.136 3.429 1.00 0.00 N ATOM 533 CA GLU A 41 7.570 3.654 3.668 1.00 0.00 C ATOM 534 C GLU A 41 8.149 4.155 2.359 1.00 0.00 C ATOM 535 O GLU A 41 7.946 3.543 1.311 1.00 0.00 O ATOM 536 CB GLU A 41 8.456 2.543 4.239 1.00 0.00 C ATOM 537 CG GLU A 41 9.724 3.024 4.915 1.00 0.00 C ATOM 538 CD GLU A 41 9.453 3.685 6.245 1.00 0.00 C ATOM 539 OE1 GLU A 41 9.364 2.962 7.263 1.00 0.00 O ATOM 540 OE2 GLU A 41 9.327 4.922 6.283 1.00 0.00 O ATOM 0 H GLU A 41 6.184 2.508 2.628 1.00 0.00 H new ATOM 0 HA GLU A 41 7.524 4.476 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.874 1.967 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.727 1.863 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.396 2.179 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.237 3.729 4.260 1.00 0.00 H new ATOM 547 N ARG A 42 8.851 5.258 2.402 1.00 0.00 N ATOM 548 CA ARG A 42 9.459 5.786 1.211 1.00 0.00 C ATOM 549 C ARG A 42 10.831 5.221 1.045 1.00 0.00 C ATOM 550 O ARG A 42 11.666 5.305 1.947 1.00 0.00 O ATOM 551 CB ARG A 42 9.516 7.301 1.233 1.00 0.00 C ATOM 552 CG ARG A 42 8.178 7.958 1.030 1.00 0.00 C ATOM 553 CD ARG A 42 8.309 9.461 0.977 1.00 0.00 C ATOM 554 NE ARG A 42 8.962 9.911 -0.252 1.00 0.00 N ATOM 555 CZ ARG A 42 9.477 11.135 -0.420 1.00 0.00 C ATOM 556 NH1 ARG A 42 9.499 11.994 0.592 1.00 0.00 N ATOM 557 NH2 ARG A 42 9.968 11.492 -1.601 1.00 0.00 N ATOM 0 H ARG A 42 9.015 5.806 3.247 1.00 0.00 H new ATOM 0 HA ARG A 42 8.841 5.492 0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.930 7.627 2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.200 7.642 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.729 7.597 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.506 7.677 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.320 9.914 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.881 9.806 1.839 1.00 0.00 H new ATOM 0 HE ARG A 42 9.029 9.252 -1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.123 11.722 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.892 12.926 0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.953 10.834 -2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.360 12.425 -1.729 1.00 0.00 H new ATOM 571 N ARG A 43 11.051 4.612 -0.082 1.00 0.00 N ATOM 572 CA ARG A 43 12.329 4.012 -0.400 1.00 0.00 C ATOM 573 C ARG A 43 12.985 4.807 -1.504 1.00 0.00 C ATOM 574 O ARG A 43 12.588 4.707 -2.667 1.00 0.00 O ATOM 575 CB ARG A 43 12.138 2.553 -0.840 1.00 0.00 C ATOM 576 CG ARG A 43 11.426 1.665 0.186 1.00 0.00 C ATOM 577 CD ARG A 43 12.299 1.373 1.405 1.00 0.00 C ATOM 578 NE ARG A 43 12.577 2.571 2.204 1.00 0.00 N ATOM 579 CZ ARG A 43 13.735 2.808 2.823 1.00 0.00 C ATOM 580 NH1 ARG A 43 14.732 1.938 2.720 1.00 0.00 N ATOM 581 NH2 ARG A 43 13.892 3.920 3.535 1.00 0.00 N ATOM 0 H ARG A 43 10.350 4.513 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 43 12.965 4.022 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.569 2.539 -1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.115 2.122 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.506 2.153 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.140 0.725 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.804 0.631 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.241 0.935 1.075 1.00 0.00 H new ATOM 0 HE ARG A 43 11.837 3.268 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.613 1.089 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.617 2.119 3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.127 4.591 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.777 4.102 4.008 1.00 0.00 H new ATOM 595 N GLY A 44 13.967 5.613 -1.141 1.00 0.00 N ATOM 596 CA GLY A 44 14.613 6.469 -2.113 1.00 0.00 C ATOM 597 C GLY A 44 13.613 7.393 -2.777 1.00 0.00 C ATOM 598 O GLY A 44 13.554 7.486 -4.002 1.00 0.00 O ATOM 0 H GLY A 44 14.330 5.691 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.389 7.059 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.106 5.858 -2.869 1.00 0.00 H new ATOM 602 N GLY A 45 12.811 8.068 -1.959 1.00 0.00 N ATOM 603 CA GLY A 45 11.786 8.954 -2.473 1.00 0.00 C ATOM 604 C GLY A 45 10.516 8.241 -2.901 1.00 0.00 C ATOM 605 O GLY A 45 9.449 8.849 -2.938 1.00 0.00 O ATOM 0 H GLY A 45 12.855 8.015 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.538 9.690 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.188 9.503 -3.325 1.00 0.00 H new ATOM 609 N ARG A 46 10.617 6.957 -3.168 1.00 0.00 N ATOM 610 CA ARG A 46 9.489 6.201 -3.692 1.00 0.00 C ATOM 611 C ARG A 46 8.580 5.667 -2.603 1.00 0.00 C ATOM 612 O ARG A 46 8.969 4.797 -1.827 1.00 0.00 O ATOM 613 CB ARG A 46 9.959 5.063 -4.576 1.00 0.00 C ATOM 614 CG ARG A 46 10.595 5.523 -5.861 1.00 0.00 C ATOM 615 CD ARG A 46 10.839 4.351 -6.787 1.00 0.00 C ATOM 616 NE ARG A 46 11.264 4.775 -8.118 1.00 0.00 N ATOM 617 CZ ARG A 46 11.356 3.958 -9.167 1.00 0.00 C ATOM 618 NH1 ARG A 46 11.059 2.670 -9.041 1.00 0.00 N ATOM 619 NH2 ARG A 46 11.738 4.429 -10.344 1.00 0.00 N ATOM 0 H ARG A 46 11.467 6.410 -3.032 1.00 0.00 H new ATOM 0 HA ARG A 46 8.905 6.903 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.675 4.456 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.110 4.421 -4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.950 6.252 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.538 6.026 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.600 3.702 -6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.927 3.761 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 46 11.505 5.757 -8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.759 2.302 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.131 2.049 -9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.962 5.418 -10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.808 3.802 -11.146 1.00 0.00 H new ATOM 633 N PRO A 47 7.347 6.178 -2.535 1.00 0.00 N ATOM 634 CA PRO A 47 6.358 5.714 -1.573 1.00 0.00 C ATOM 635 C PRO A 47 5.960 4.276 -1.855 1.00 0.00 C ATOM 636 O PRO A 47 5.231 3.998 -2.802 1.00 0.00 O ATOM 637 CB PRO A 47 5.175 6.649 -1.800 1.00 0.00 C ATOM 638 CG PRO A 47 5.341 7.143 -3.191 1.00 0.00 C ATOM 639 CD PRO A 47 6.813 7.250 -3.400 1.00 0.00 C ATOM 0 HA PRO A 47 6.727 5.730 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.227 6.124 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.179 7.472 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.891 6.456 -3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.854 8.109 -3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.085 7.099 -4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.192 8.230 -3.110 1.00 0.00 H new ATOM 647 N THR A 48 6.439 3.372 -1.044 1.00 0.00 N ATOM 648 CA THR A 48 6.210 1.972 -1.271 1.00 0.00 C ATOM 649 C THR A 48 5.569 1.319 -0.050 1.00 0.00 C ATOM 650 O THR A 48 5.673 1.824 1.066 1.00 0.00 O ATOM 651 CB THR A 48 7.544 1.266 -1.599 1.00 0.00 C ATOM 652 OG1 THR A 48 8.303 2.082 -2.506 1.00 0.00 O ATOM 653 CG2 THR A 48 7.300 -0.091 -2.241 1.00 0.00 C ATOM 0 H THR A 48 6.994 3.583 -0.215 1.00 0.00 H new ATOM 0 HA THR A 48 5.528 1.871 -2.115 1.00 0.00 H new ATOM 0 HB THR A 48 8.093 1.119 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.571 2.910 -2.055 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.256 -0.566 -2.462 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.731 -0.720 -1.557 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.738 0.040 -3.166 1.00 0.00 H new ATOM 661 N CYS A 49 4.888 0.222 -0.273 1.00 0.00 N ATOM 662 CA CYS A 49 4.284 -0.529 0.798 1.00 0.00 C ATOM 663 C CYS A 49 5.252 -1.591 1.257 1.00 0.00 C ATOM 664 O CYS A 49 5.570 -2.515 0.507 1.00 0.00 O ATOM 665 CB CYS A 49 2.988 -1.187 0.325 1.00 0.00 C ATOM 666 SG CYS A 49 2.284 -2.376 1.505 1.00 0.00 S ATOM 0 H CYS A 49 4.737 -0.174 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 49 4.050 0.146 1.621 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.250 -0.410 0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.176 -1.697 -0.620 1.00 0.00 H new ATOM 671 N VAL A 50 5.756 -1.445 2.463 1.00 0.00 N ATOM 672 CA VAL A 50 6.694 -2.398 2.985 1.00 0.00 C ATOM 673 C VAL A 50 6.052 -3.217 4.096 1.00 0.00 C ATOM 674 O VAL A 50 5.466 -2.671 5.043 1.00 0.00 O ATOM 675 CB VAL A 50 8.012 -1.730 3.469 1.00 0.00 C ATOM 676 CG1 VAL A 50 8.644 -0.918 2.345 1.00 0.00 C ATOM 677 CG2 VAL A 50 7.773 -0.854 4.679 1.00 0.00 C ATOM 0 H VAL A 50 5.529 -0.676 3.094 1.00 0.00 H new ATOM 0 HA VAL A 50 6.968 -3.067 2.169 1.00 0.00 H new ATOM 0 HB VAL A 50 8.700 -2.524 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.565 -0.458 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.868 -1.574 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.951 -0.140 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.714 -0.402 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.060 -0.069 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.372 -1.459 5.493 1.00 0.00 H new ATOM 687 N CYS A 51 6.132 -4.513 3.965 1.00 0.00 N ATOM 688 CA CYS A 51 5.516 -5.404 4.918 1.00 0.00 C ATOM 689 C CYS A 51 6.523 -5.936 5.909 1.00 0.00 C ATOM 690 O CYS A 51 7.729 -5.963 5.639 1.00 0.00 O ATOM 691 CB CYS A 51 4.850 -6.564 4.196 1.00 0.00 C ATOM 692 SG CYS A 51 3.759 -6.058 2.835 1.00 0.00 S ATOM 0 H CYS A 51 6.621 -4.981 3.202 1.00 0.00 H new ATOM 0 HA CYS A 51 4.766 -4.834 5.466 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.622 -7.225 3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.271 -7.143 4.916 1.00 0.00 H new ATOM 697 N SER A 52 6.024 -6.359 7.048 1.00 0.00 N ATOM 698 CA SER A 52 6.842 -6.934 8.079 1.00 0.00 C ATOM 699 C SER A 52 6.150 -8.172 8.624 1.00 0.00 C ATOM 700 O SER A 52 4.936 -8.354 8.416 1.00 0.00 O ATOM 701 CB SER A 52 7.082 -5.922 9.200 1.00 0.00 C ATOM 702 OG SER A 52 8.098 -6.367 10.080 1.00 0.00 O ATOM 0 H SER A 52 5.032 -6.311 7.282 1.00 0.00 H new ATOM 0 HA SER A 52 7.810 -7.210 7.662 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.363 -4.960 8.772 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.158 -5.765 9.756 1.00 0.00 H new ATOM 0 HG SER A 52 8.233 -5.702 10.787 1.00 0.00 H new ATOM 708 N ARG A 53 6.911 -9.014 9.319 1.00 0.00 N ATOM 709 CA ARG A 53 6.395 -10.261 9.872 1.00 0.00 C ATOM 710 C ARG A 53 5.863 -11.154 8.767 1.00 0.00 C ATOM 711 O ARG A 53 4.771 -11.712 8.861 1.00 0.00 O ATOM 712 CB ARG A 53 5.322 -9.990 10.936 1.00 0.00 C ATOM 713 CG ARG A 53 5.849 -9.294 12.192 1.00 0.00 C ATOM 714 CD ARG A 53 6.825 -10.181 12.971 1.00 0.00 C ATOM 715 NE ARG A 53 8.090 -10.396 12.253 1.00 0.00 N ATOM 716 CZ ARG A 53 8.575 -11.597 11.909 1.00 0.00 C ATOM 717 NH1 ARG A 53 7.924 -12.708 12.241 1.00 0.00 N ATOM 718 NH2 ARG A 53 9.712 -11.680 11.235 1.00 0.00 N ATOM 0 H ARG A 53 7.899 -8.851 9.514 1.00 0.00 H new ATOM 0 HA ARG A 53 7.217 -10.784 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.536 -9.376 10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.864 -10.936 11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.347 -8.366 11.911 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.012 -9.024 12.835 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.034 -9.723 13.938 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.356 -11.145 13.169 1.00 0.00 H new ATOM 0 HE ARG A 53 8.637 -9.573 11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.049 -12.650 12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.300 -13.618 11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.216 -10.831 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.083 -12.593 10.972 1.00 0.00 H new ATOM 732 N CYS A 54 6.648 -11.279 7.727 1.00 0.00 N ATOM 733 CA CYS A 54 6.286 -12.089 6.583 1.00 0.00 C ATOM 734 C CYS A 54 6.837 -13.492 6.738 1.00 0.00 C ATOM 735 O CYS A 54 7.739 -13.725 7.548 1.00 0.00 O ATOM 736 CB CYS A 54 6.808 -11.446 5.303 1.00 0.00 C ATOM 737 SG CYS A 54 6.201 -9.751 5.029 1.00 0.00 S ATOM 0 H CYS A 54 7.557 -10.824 7.646 1.00 0.00 H new ATOM 0 HA CYS A 54 5.199 -12.152 6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.897 -11.431 5.334 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.522 -12.066 4.453 1.00 0.00 H new ATOM 742 N GLY A 55 6.316 -14.427 5.961 1.00 0.00 N ATOM 743 CA GLY A 55 6.779 -15.794 6.042 1.00 0.00 C ATOM 744 C GLY A 55 7.896 -16.059 5.059 1.00 0.00 C ATOM 745 O GLY A 55 7.993 -17.146 4.483 1.00 0.00 O ATOM 0 H GLY A 55 5.580 -14.263 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.126 -16.002 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.949 -16.473 5.844 1.00 0.00 H new ATOM 749 N ASN A 56 8.719 -15.054 4.855 1.00 0.00 N ATOM 750 CA ASN A 56 9.852 -15.134 3.954 1.00 0.00 C ATOM 751 C ASN A 56 11.110 -15.459 4.753 1.00 0.00 C ATOM 752 O ASN A 56 11.030 -16.065 5.818 1.00 0.00 O ATOM 753 CB ASN A 56 10.020 -13.799 3.191 1.00 0.00 C ATOM 754 CG ASN A 56 10.346 -12.614 4.100 1.00 0.00 C ATOM 755 OD1 ASN A 56 9.932 -12.566 5.258 1.00 0.00 O ATOM 756 ND2 ASN A 56 11.086 -11.654 3.576 1.00 0.00 N ATOM 0 H ASN A 56 8.621 -14.148 5.314 1.00 0.00 H new ATOM 0 HA ASN A 56 9.682 -15.924 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.814 -13.909 2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.102 -13.585 2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.333 -10.837 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.411 -11.729 2.612 1.00 0.00 H new ATOM 763 N GLY A 57 12.258 -15.062 4.245 1.00 0.00 N ATOM 764 CA GLY A 57 13.495 -15.290 4.951 1.00 0.00 C ATOM 765 C GLY A 57 14.364 -14.060 4.924 1.00 0.00 C ATOM 766 O GLY A 57 14.900 -13.701 3.873 1.00 0.00 O ATOM 0 H GLY A 57 12.357 -14.582 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.283 -15.568 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.028 -16.126 4.499 1.00 0.00 H new ATOM 770 N GLY A 58 14.493 -13.390 6.055 1.00 0.00 N ATOM 771 CA GLY A 58 15.293 -12.196 6.102 1.00 0.00 C ATOM 772 C GLY A 58 14.457 -10.966 6.384 1.00 0.00 C ATOM 773 O GLY A 58 13.503 -11.018 7.169 1.00 0.00 O ATOM 0 H GLY A 58 14.057 -13.654 6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.056 -12.301 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.814 -12.071 5.153 1.00 0.00 H new ATOM 777 N GLY A 59 14.805 -9.871 5.743 1.00 0.00 N ATOM 778 CA GLY A 59 14.088 -8.628 5.943 1.00 0.00 C ATOM 779 C GLY A 59 14.947 -7.614 6.657 1.00 0.00 C ATOM 780 O GLY A 59 14.464 -6.843 7.482 1.00 0.00 O ATOM 0 H GLY A 59 15.578 -9.815 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.772 -8.228 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.184 -8.815 6.522 1.00 0.00 H new ATOM 784 N GLU A 60 16.230 -7.633 6.342 1.00 0.00 N ATOM 785 CA GLU A 60 17.195 -6.738 6.954 1.00 0.00 C ATOM 786 C GLU A 60 17.169 -5.362 6.301 1.00 0.00 C ATOM 787 O GLU A 60 16.408 -5.115 5.366 1.00 0.00 O ATOM 788 CB GLU A 60 18.595 -7.331 6.841 1.00 0.00 C ATOM 789 CG GLU A 60 18.752 -8.668 7.533 1.00 0.00 C ATOM 790 CD GLU A 60 20.018 -9.374 7.127 1.00 0.00 C ATOM 791 OE1 GLU A 60 19.997 -10.098 6.108 1.00 0.00 O ATOM 792 OE2 GLU A 60 21.044 -9.218 7.820 1.00 0.00 O ATOM 0 H GLU A 60 16.632 -8.270 5.654 1.00 0.00 H new ATOM 0 HA GLU A 60 16.927 -6.622 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.846 -7.447 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.312 -6.628 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.752 -8.518 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.895 -9.299 7.299 1.00 0.00 H new ATOM 799 N TRP A 61 18.027 -4.492 6.791 1.00 0.00 N ATOM 800 CA TRP A 61 18.122 -3.135 6.302 1.00 0.00 C ATOM 801 C TRP A 61 19.284 -3.007 5.322 1.00 0.00 C ATOM 802 O TRP A 61 20.447 -3.022 5.722 1.00 0.00 O ATOM 803 CB TRP A 61 18.279 -2.172 7.474 1.00 0.00 C ATOM 804 CG TRP A 61 17.140 -2.263 8.442 1.00 0.00 C ATOM 805 CD1 TRP A 61 15.971 -1.567 8.397 1.00 0.00 C ATOM 806 CD2 TRP A 61 17.053 -3.118 9.587 1.00 0.00 C ATOM 807 NE1 TRP A 61 15.163 -1.929 9.446 1.00 0.00 N ATOM 808 CE2 TRP A 61 15.804 -2.881 10.191 1.00 0.00 C ATOM 809 CE3 TRP A 61 17.911 -4.061 10.161 1.00 0.00 C ATOM 810 CZ2 TRP A 61 15.392 -3.551 11.337 1.00 0.00 C ATOM 811 CZ3 TRP A 61 17.502 -4.724 11.298 1.00 0.00 C ATOM 812 CH2 TRP A 61 16.253 -4.468 11.874 1.00 0.00 C ATOM 0 H TRP A 61 18.681 -4.709 7.543 1.00 0.00 H new ATOM 0 HA TRP A 61 17.206 -2.879 5.770 1.00 0.00 H new ATOM 0 HB2 TRP A 61 19.213 -2.386 7.994 1.00 0.00 H new ATOM 0 HB3 TRP A 61 18.351 -1.152 7.096 1.00 0.00 H new ATOM 0 HD1 TRP A 61 15.716 -0.835 7.644 1.00 0.00 H new ATOM 0 HE1 TRP A 61 14.236 -1.550 9.639 1.00 0.00 H new ATOM 0 HE3 TRP A 61 18.876 -4.266 9.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.429 -3.355 11.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 18.157 -5.453 11.752 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.962 -5.007 12.763 1.00 0.00 H new ATOM 823 N PRO A 62 18.984 -2.891 4.022 1.00 0.00 N ATOM 824 CA PRO A 62 20.010 -2.812 2.985 1.00 0.00 C ATOM 825 C PRO A 62 20.723 -1.455 2.950 1.00 0.00 C ATOM 826 O PRO A 62 21.939 -1.383 3.099 1.00 0.00 O ATOM 827 CB PRO A 62 19.229 -3.056 1.691 1.00 0.00 C ATOM 828 CG PRO A 62 17.832 -2.621 1.987 1.00 0.00 C ATOM 829 CD PRO A 62 17.616 -2.837 3.463 1.00 0.00 C ATOM 0 HA PRO A 62 20.811 -3.532 3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.651 -2.486 0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.261 -4.107 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 62 17.689 -1.573 1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 62 17.115 -3.197 1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.037 -2.026 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.070 -3.760 3.655 1.00 0.00 H new ATOM 837 N ASN A 63 19.960 -0.386 2.790 1.00 0.00 N ATOM 838 CA ASN A 63 20.536 0.956 2.688 1.00 0.00 C ATOM 839 C ASN A 63 20.807 1.540 4.064 1.00 0.00 C ATOM 840 O ASN A 63 21.456 2.581 4.184 1.00 0.00 O ATOM 841 CB ASN A 63 19.582 1.885 1.921 1.00 0.00 C ATOM 842 CG ASN A 63 18.426 2.380 2.781 1.00 0.00 C ATOM 843 OD1 ASN A 63 17.428 1.690 2.956 1.00 0.00 O ATOM 844 ND2 ASN A 63 18.553 3.582 3.310 1.00 0.00 N ATOM 0 H ASN A 63 18.942 -0.415 2.727 1.00 0.00 H new ATOM 0 HA ASN A 63 21.480 0.874 2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 63 20.141 2.741 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.185 1.356 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 63 17.805 3.967 3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.399 4.126 3.142 1.00 0.00 H new ATOM 851 N LEU A 64 20.318 0.851 5.099 1.00 0.00 N ATOM 852 CA LEU A 64 20.440 1.311 6.484 1.00 0.00 C ATOM 853 C LEU A 64 19.699 2.636 6.664 1.00 0.00 C ATOM 854 O LEU A 64 20.306 3.713 6.640 1.00 0.00 O ATOM 855 CB LEU A 64 21.915 1.463 6.894 1.00 0.00 C ATOM 856 CG LEU A 64 22.800 0.236 6.673 1.00 0.00 C ATOM 857 CD1 LEU A 64 24.230 0.532 7.085 1.00 0.00 C ATOM 858 CD2 LEU A 64 22.261 -0.961 7.435 1.00 0.00 C ATOM 0 H LEU A 64 19.828 -0.038 5.000 1.00 0.00 H new ATOM 0 HA LEU A 64 19.989 0.559 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.342 2.299 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 64 21.953 1.728 7.951 1.00 0.00 H new ATOM 0 HG LEU A 64 22.790 -0.006 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.846 -0.352 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.616 1.359 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 64 24.256 0.802 8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 64 22.906 -1.822 7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 64 22.236 -0.733 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 64 21.253 -1.188 7.089 1.00 0.00 H new ATOM 870 N PRO A 65 18.370 2.576 6.819 1.00 0.00 N ATOM 871 CA PRO A 65 17.541 3.767 6.941 1.00 0.00 C ATOM 872 C PRO A 65 17.602 4.396 8.328 1.00 0.00 C ATOM 873 O PRO A 65 18.070 3.779 9.295 1.00 0.00 O ATOM 874 CB PRO A 65 16.136 3.244 6.653 1.00 0.00 C ATOM 875 CG PRO A 65 16.161 1.829 7.112 1.00 0.00 C ATOM 876 CD PRO A 65 17.570 1.337 6.897 1.00 0.00 C ATOM 0 HA PRO A 65 17.870 4.558 6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.381 3.821 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.897 3.312 5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 65 15.880 1.756 8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 65 15.449 1.225 6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 65 17.900 0.699 7.717 1.00 0.00 H new ATOM 0 HD3 PRO A 65 17.653 0.749 5.983 1.00 0.00 H new ATOM 884 N SER A 66 17.131 5.621 8.407 1.00 0.00 N ATOM 885 CA SER A 66 17.099 6.354 9.652 1.00 0.00 C ATOM 886 C SER A 66 15.810 6.009 10.409 1.00 0.00 C ATOM 887 O SER A 66 15.179 4.983 10.140 1.00 0.00 O ATOM 888 CB SER A 66 17.190 7.860 9.372 1.00 0.00 C ATOM 889 OG SER A 66 17.393 8.601 10.568 1.00 0.00 O ATOM 0 H SER A 66 16.759 6.137 7.609 1.00 0.00 H new ATOM 0 HA SER A 66 17.952 6.074 10.271 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.009 8.054 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 66 16.275 8.197 8.885 1.00 0.00 H new ATOM 0 HG SER A 66 17.448 9.556 10.356 1.00 0.00 H new ATOM 895 N ARG A 67 15.419 6.859 11.337 1.00 0.00 N ATOM 896 CA ARG A 67 14.207 6.631 12.100 1.00 0.00 C ATOM 897 C ARG A 67 13.055 7.358 11.456 1.00 0.00 C ATOM 898 O ARG A 67 12.127 6.740 10.937 1.00 0.00 O ATOM 899 CB ARG A 67 14.364 7.061 13.562 1.00 0.00 C ATOM 900 CG ARG A 67 15.173 6.090 14.402 1.00 0.00 C ATOM 901 CD ARG A 67 16.660 6.186 14.106 1.00 0.00 C ATOM 902 NE ARG A 67 17.235 7.423 14.629 1.00 0.00 N ATOM 903 CZ ARG A 67 18.325 8.017 14.153 1.00 0.00 C ATOM 904 NH1 ARG A 67 18.963 7.513 13.100 1.00 0.00 N ATOM 905 NH2 ARG A 67 18.778 9.111 14.736 1.00 0.00 N ATOM 0 H ARG A 67 15.921 7.713 11.581 1.00 0.00 H new ATOM 0 HA ARG A 67 14.005 5.560 12.099 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.842 8.040 13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.375 7.174 14.006 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.000 6.293 15.459 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.830 5.073 14.212 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.175 5.331 14.545 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.821 6.136 13.029 1.00 0.00 H new ATOM 0 HE ARG A 67 16.765 7.864 15.419 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.617 6.665 12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.799 7.975 12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.292 9.495 15.546 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.614 9.572 14.376 1.00 0.00 H new ATOM 919 N GLY A 68 13.131 8.669 11.469 1.00 0.00 N ATOM 920 CA GLY A 68 12.110 9.466 10.865 1.00 0.00 C ATOM 921 C GLY A 68 11.185 10.059 11.890 1.00 0.00 C ATOM 922 O GLY A 68 11.621 10.244 13.042 1.00 0.00 O ATOM 923 OXT GLY A 68 10.024 10.352 11.553 1.00 0.00 O ATOM 0 H GLY A 68 13.893 9.198 11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.569 10.266 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.536 8.855 10.168 1.00 0.00 H new TER 927 GLY A 68