USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 229 HIS HD1 : A 229 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 230 THR OG1 : rot -160:sc= 0.00993 USER MOD Set 1.2: A 233 GLN : amide:sc= -4.53! C(o=-4.5!,f=-4.6!) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN : amide:sc= -0.733! K(o=-0.73!,f=-0.11) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD Single : A 215 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 LYS NZ :NH3+ 162:sc= -0.0594 (180deg=-0.432) USER MOD Single : A 218 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.18) USER MOD Single : A 219 MET CE :methyl 173:sc= -0.376 (180deg=-0.469) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.00941 USER MOD Single : A 223 SER OG : rot 17:sc= 0.0392 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 236 THR OG1 : rot 80:sc= 0.413 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 SER OG : rot 180:sc= 0.0206 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 51.362 -1.693 14.457 1.00 0.00 N ATOM 2 CA PRO A 198 51.366 -1.101 13.112 1.00 0.00 C ATOM 3 C PRO A 198 51.871 0.361 13.083 1.00 0.00 C ATOM 4 O PRO A 198 52.243 0.882 12.021 1.00 0.00 O ATOM 5 CB PRO A 198 49.898 -1.173 12.684 1.00 0.00 C ATOM 6 CG PRO A 198 49.134 -1.245 13.955 1.00 0.00 C ATOM 7 CD PRO A 198 49.993 -2.002 14.915 1.00 0.00 C ATOM 0 HA PRO A 198 52.048 -1.633 12.449 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.613 -0.298 12.100 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.711 -2.047 12.060 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.913 -0.247 14.334 1.00 0.00 H new ATOM 0 HG3 PRO A 198 48.179 -1.748 13.807 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.830 -1.679 15.943 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.789 -3.072 14.881 1.00 0.00 H new ATOM 15 N GLU A 199 51.901 1.000 14.241 1.00 0.00 N ATOM 16 CA GLU A 199 52.360 2.380 14.357 1.00 0.00 C ATOM 17 C GLU A 199 53.863 2.460 14.131 1.00 0.00 C ATOM 18 O GLU A 199 54.343 3.187 13.253 1.00 0.00 O ATOM 19 CB GLU A 199 52.044 2.925 15.740 1.00 0.00 C ATOM 20 CG GLU A 199 50.575 2.955 16.098 1.00 0.00 C ATOM 21 CD GLU A 199 50.375 3.462 17.494 1.00 0.00 C ATOM 22 OE1 GLU A 199 50.661 4.647 17.750 1.00 0.00 O ATOM 23 OE2 GLU A 199 49.991 2.669 18.378 1.00 0.00 O ATOM 0 H GLU A 199 51.610 0.582 15.125 1.00 0.00 H new ATOM 0 HA GLU A 199 51.845 2.973 13.601 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.570 2.322 16.480 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.441 3.938 15.814 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.038 3.592 15.395 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.154 1.954 16.007 1.00 0.00 H new ATOM 30 N GLU A 200 54.600 1.686 14.907 1.00 0.00 N ATOM 31 CA GLU A 200 56.016 1.639 14.844 1.00 0.00 C ATOM 32 C GLU A 200 56.470 0.920 13.604 1.00 0.00 C ATOM 33 O GLU A 200 57.589 1.074 13.171 1.00 0.00 O ATOM 34 CB GLU A 200 56.501 0.964 16.067 1.00 0.00 C ATOM 35 CG GLU A 200 56.079 -0.486 16.197 1.00 0.00 C ATOM 36 CD GLU A 200 56.322 -1.052 17.551 1.00 0.00 C ATOM 37 OE1 GLU A 200 57.488 -1.289 17.914 1.00 0.00 O ATOM 38 OE2 GLU A 200 55.338 -1.275 18.279 1.00 0.00 O ATOM 0 H GLU A 200 54.202 1.064 15.610 1.00 0.00 H new ATOM 0 HA GLU A 200 56.428 2.647 14.792 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.590 1.015 16.087 1.00 0.00 H new ATOM 0 HB3 GLU A 200 56.140 1.513 16.937 1.00 0.00 H new ATOM 0 HG2 GLU A 200 55.018 -0.571 15.961 1.00 0.00 H new ATOM 0 HG3 GLU A 200 56.618 -1.081 15.460 1.00 0.00 H new ATOM 45 N LEU A 201 55.600 0.101 13.078 1.00 0.00 N ATOM 46 CA LEU A 201 55.804 -0.540 11.809 1.00 0.00 C ATOM 47 C LEU A 201 55.982 0.506 10.709 1.00 0.00 C ATOM 48 O LEU A 201 56.827 0.382 9.836 1.00 0.00 O ATOM 49 CB LEU A 201 54.625 -1.456 11.514 1.00 0.00 C ATOM 50 CG LEU A 201 54.424 -1.811 10.069 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.021 -3.246 9.934 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.349 -0.937 9.465 1.00 0.00 C ATOM 0 H LEU A 201 54.717 -0.143 13.526 1.00 0.00 H new ATOM 0 HA LEU A 201 56.713 -1.141 11.843 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.753 -2.378 12.081 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.717 -0.979 11.882 1.00 0.00 H new ATOM 0 HG LEU A 201 55.365 -1.651 9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.879 -3.487 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.801 -3.884 10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.089 -3.414 10.473 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.211 -1.202 8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.413 -1.087 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.647 0.109 9.538 1.00 0.00 H new ATOM 64 N ARG A 202 55.170 1.511 10.760 1.00 0.00 N ATOM 65 CA ARG A 202 55.247 2.599 9.866 1.00 0.00 C ATOM 66 C ARG A 202 56.529 3.383 10.104 1.00 0.00 C ATOM 67 O ARG A 202 57.142 3.878 9.160 1.00 0.00 O ATOM 68 CB ARG A 202 54.022 3.462 10.027 1.00 0.00 C ATOM 69 CG ARG A 202 54.064 4.675 9.180 1.00 0.00 C ATOM 70 CD ARG A 202 52.806 5.498 9.289 1.00 0.00 C ATOM 71 NE ARG A 202 52.903 6.718 8.491 1.00 0.00 N ATOM 72 CZ ARG A 202 51.940 7.630 8.338 1.00 0.00 C ATOM 73 NH1 ARG A 202 50.733 7.437 8.885 1.00 0.00 N ATOM 74 NH2 ARG A 202 52.184 8.728 7.623 1.00 0.00 N ATOM 0 H ARG A 202 54.419 1.592 11.445 1.00 0.00 H new ATOM 0 HA ARG A 202 55.275 2.237 8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.136 2.879 9.776 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.924 3.756 11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 202 54.920 5.286 9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.215 4.384 8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 202 51.952 4.908 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.626 5.756 10.333 1.00 0.00 H new ATOM 0 HE ARG A 202 53.785 6.888 8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.546 6.590 9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 202 50.001 8.137 8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 202 53.101 8.866 7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 202 51.454 9.430 7.501 1.00 0.00 H new ATOM 88 N SER A 203 56.940 3.479 11.355 1.00 0.00 N ATOM 89 CA SER A 203 58.201 4.120 11.668 1.00 0.00 C ATOM 90 C SER A 203 59.365 3.256 11.119 1.00 0.00 C ATOM 91 O SER A 203 60.386 3.771 10.654 1.00 0.00 O ATOM 92 CB SER A 203 58.305 4.289 13.180 1.00 0.00 C ATOM 93 OG SER A 203 57.117 4.910 13.683 1.00 0.00 O ATOM 0 H SER A 203 56.425 3.125 12.161 1.00 0.00 H new ATOM 0 HA SER A 203 58.258 5.104 11.202 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.447 3.318 13.654 1.00 0.00 H new ATOM 0 HB3 SER A 203 59.176 4.896 13.428 1.00 0.00 H new ATOM 0 HG SER A 203 57.189 5.014 14.655 1.00 0.00 H new ATOM 99 N LEU A 204 59.142 1.948 11.145 1.00 0.00 N ATOM 100 CA LEU A 204 60.070 0.935 10.698 1.00 0.00 C ATOM 101 C LEU A 204 60.406 1.122 9.215 1.00 0.00 C ATOM 102 O LEU A 204 61.550 1.379 8.880 1.00 0.00 O ATOM 103 CB LEU A 204 59.448 -0.470 10.983 1.00 0.00 C ATOM 104 CG LEU A 204 60.339 -1.712 10.804 1.00 0.00 C ATOM 105 CD1 LEU A 204 59.887 -2.813 11.718 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.279 -2.230 9.381 1.00 0.00 C ATOM 0 H LEU A 204 58.269 1.554 11.495 1.00 0.00 H new ATOM 0 HA LEU A 204 61.010 1.022 11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.081 -0.469 12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.580 -0.587 10.334 1.00 0.00 H new ATOM 0 HG LEU A 204 61.360 -1.414 11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.526 -3.685 11.581 1.00 0.00 H new ATOM 0 HD12 LEU A 204 59.950 -2.476 12.753 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.856 -3.079 11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 204 60.919 -3.107 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.252 -2.501 9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.623 -1.454 8.697 1.00 0.00 H new ATOM 118 N LEU A 205 59.388 1.083 8.355 1.00 0.00 N ATOM 119 CA LEU A 205 59.558 1.148 6.869 1.00 0.00 C ATOM 120 C LEU A 205 60.312 2.379 6.319 1.00 0.00 C ATOM 121 O LEU A 205 60.669 2.414 5.130 1.00 0.00 O ATOM 122 CB LEU A 205 58.225 0.944 6.125 1.00 0.00 C ATOM 123 CG LEU A 205 57.779 -0.509 5.865 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.799 -1.221 5.011 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.546 -1.281 7.147 1.00 0.00 C ATOM 0 H LEU A 205 58.415 1.006 8.650 1.00 0.00 H new ATOM 0 HA LEU A 205 60.222 0.309 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.440 1.441 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.293 1.454 5.164 1.00 0.00 H new ATOM 0 HG LEU A 205 56.826 -0.463 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.473 -2.246 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.901 -0.703 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.761 -1.229 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.234 -2.298 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.469 -1.312 7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.767 -0.790 7.731 1.00 0.00 H new ATOM 137 N THR A 206 60.553 3.354 7.151 1.00 0.00 N ATOM 138 CA THR A 206 61.289 4.511 6.775 1.00 0.00 C ATOM 139 C THR A 206 62.814 4.188 6.684 1.00 0.00 C ATOM 140 O THR A 206 63.540 4.771 5.874 1.00 0.00 O ATOM 141 CB THR A 206 61.037 5.605 7.827 1.00 0.00 C ATOM 142 OG1 THR A 206 59.612 5.740 8.027 1.00 0.00 O ATOM 143 CG2 THR A 206 61.591 6.930 7.371 1.00 0.00 C ATOM 0 H THR A 206 60.236 3.360 8.120 1.00 0.00 H new ATOM 0 HA THR A 206 60.963 4.853 5.793 1.00 0.00 H new ATOM 0 HB THR A 206 61.534 5.319 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.440 6.434 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.400 7.686 8.133 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.665 6.840 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.109 7.224 6.439 1.00 0.00 H new ATOM 151 N THR A 207 63.272 3.232 7.482 1.00 0.00 N ATOM 152 CA THR A 207 64.699 2.917 7.546 1.00 0.00 C ATOM 153 C THR A 207 64.970 1.387 7.668 1.00 0.00 C ATOM 154 O THR A 207 66.020 0.885 7.245 1.00 0.00 O ATOM 155 CB THR A 207 65.373 3.719 8.713 1.00 0.00 C ATOM 156 OG1 THR A 207 66.765 3.394 8.849 1.00 0.00 O ATOM 157 CG2 THR A 207 64.648 3.498 10.037 1.00 0.00 C ATOM 0 H THR A 207 62.684 2.663 8.091 1.00 0.00 H new ATOM 0 HA THR A 207 65.150 3.226 6.603 1.00 0.00 H new ATOM 0 HB THR A 207 65.296 4.774 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.152 3.914 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.143 4.069 10.823 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.613 3.829 9.945 1.00 0.00 H new ATOM 0 HG23 THR A 207 64.669 2.438 10.291 1.00 0.00 H new ATOM 165 N GLN A 208 64.013 0.673 8.197 1.00 0.00 N ATOM 166 CA GLN A 208 64.082 -0.754 8.409 1.00 0.00 C ATOM 167 C GLN A 208 63.376 -1.463 7.257 1.00 0.00 C ATOM 168 O GLN A 208 62.275 -1.090 6.890 1.00 0.00 O ATOM 169 CB GLN A 208 63.410 -1.076 9.746 1.00 0.00 C ATOM 170 CG GLN A 208 64.194 -0.632 10.972 1.00 0.00 C ATOM 171 CD GLN A 208 65.334 -1.567 11.304 1.00 0.00 C ATOM 172 OE1 GLN A 208 66.387 -1.145 11.788 1.00 0.00 O ATOM 173 NE2 GLN A 208 65.097 -2.839 11.159 1.00 0.00 N ATOM 0 H GLN A 208 63.130 1.081 8.505 1.00 0.00 H new ATOM 0 HA GLN A 208 65.117 -1.095 8.440 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.428 -0.603 9.768 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.246 -2.152 9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 208 64.588 0.370 10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.520 -0.569 11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 208 64.214 -3.150 10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 208 65.794 -3.524 11.450 1.00 0.00 H new ATOM 182 N CYS A 209 64.051 -2.472 6.715 1.00 0.00 N ATOM 183 CA CYS A 209 63.652 -3.272 5.541 1.00 0.00 C ATOM 184 C CYS A 209 62.166 -3.603 5.563 1.00 0.00 C ATOM 185 O CYS A 209 61.417 -3.084 4.759 1.00 0.00 O ATOM 186 CB CYS A 209 64.538 -4.543 5.497 1.00 0.00 C ATOM 187 SG CYS A 209 65.009 -5.154 3.844 1.00 0.00 S ATOM 0 H CYS A 209 64.945 -2.778 7.099 1.00 0.00 H new ATOM 0 HA CYS A 209 63.808 -2.695 4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.450 -4.342 6.058 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.012 -5.343 6.019 1.00 0.00 H new ATOM 192 N GLY A 210 61.766 -4.499 6.413 1.00 0.00 N ATOM 193 CA GLY A 210 60.383 -4.753 6.623 1.00 0.00 C ATOM 194 C GLY A 210 59.782 -5.678 5.617 1.00 0.00 C ATOM 195 O GLY A 210 58.668 -6.101 5.776 1.00 0.00 O ATOM 0 H GLY A 210 62.393 -5.072 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.248 -5.176 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 210 59.842 -3.807 6.602 1.00 0.00 H new ATOM 199 N VAL A 211 60.551 -6.046 4.606 1.00 0.00 N ATOM 200 CA VAL A 211 60.041 -6.899 3.546 1.00 0.00 C ATOM 201 C VAL A 211 59.763 -8.292 4.052 1.00 0.00 C ATOM 202 O VAL A 211 60.628 -8.908 4.671 1.00 0.00 O ATOM 203 CB VAL A 211 61.073 -6.904 2.434 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.444 -7.222 2.887 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.664 -7.623 1.169 1.00 0.00 C ATOM 0 H VAL A 211 61.527 -5.769 4.497 1.00 0.00 H new ATOM 0 HA VAL A 211 59.090 -6.517 3.173 1.00 0.00 H new ATOM 0 HB VAL A 211 61.109 -5.859 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.122 -7.206 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 211 62.766 -6.483 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.456 -8.213 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.473 -7.566 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.453 -8.668 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 211 59.771 -7.154 0.756 1.00 0.00 H new ATOM 215 N ILE A 212 58.571 -8.757 3.834 1.00 0.00 N ATOM 216 CA ILE A 212 58.185 -10.054 4.294 1.00 0.00 C ATOM 217 C ILE A 212 58.744 -11.071 3.356 1.00 0.00 C ATOM 218 O ILE A 212 58.261 -11.217 2.222 1.00 0.00 O ATOM 219 CB ILE A 212 56.643 -10.221 4.370 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.032 -9.116 5.232 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.281 -11.601 4.945 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.522 -9.087 5.199 1.00 0.00 C ATOM 0 H ILE A 212 57.841 -8.249 3.334 1.00 0.00 H new ATOM 0 HA ILE A 212 58.575 -10.187 5.303 1.00 0.00 H new ATOM 0 HB ILE A 212 56.237 -10.145 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.362 -9.247 6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.413 -8.152 4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.197 -11.703 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.691 -12.381 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.698 -11.698 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.160 -8.278 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.183 -8.925 4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.132 -10.037 5.564 1.00 0.00 H new ATOM 234 N SER A 213 59.792 -11.712 3.783 1.00 0.00 N ATOM 235 CA SER A 213 60.378 -12.756 3.029 1.00 0.00 C ATOM 236 C SER A 213 59.347 -13.887 2.960 1.00 0.00 C ATOM 237 O SER A 213 58.892 -14.414 3.989 1.00 0.00 O ATOM 238 CB SER A 213 61.713 -13.171 3.667 1.00 0.00 C ATOM 239 OG SER A 213 62.388 -14.169 2.923 1.00 0.00 O ATOM 0 H SER A 213 60.259 -11.517 4.669 1.00 0.00 H new ATOM 0 HA SER A 213 60.624 -12.451 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 213 62.355 -12.295 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 213 61.530 -13.538 4.677 1.00 0.00 H new ATOM 0 HG SER A 213 63.230 -14.396 3.369 1.00 0.00 H new ATOM 245 N GLU A 214 58.918 -14.158 1.754 1.00 0.00 N ATOM 246 CA GLU A 214 57.848 -15.079 1.458 1.00 0.00 C ATOM 247 C GLU A 214 58.057 -16.494 2.005 1.00 0.00 C ATOM 248 O GLU A 214 59.186 -16.909 2.356 1.00 0.00 O ATOM 249 CB GLU A 214 57.590 -15.087 -0.056 1.00 0.00 C ATOM 250 CG GLU A 214 58.834 -15.354 -0.894 1.00 0.00 C ATOM 251 CD GLU A 214 58.598 -15.161 -2.370 1.00 0.00 C ATOM 252 OE1 GLU A 214 58.712 -14.022 -2.849 1.00 0.00 O ATOM 253 OE2 GLU A 214 58.316 -16.152 -3.075 1.00 0.00 O ATOM 0 H GLU A 214 59.318 -13.728 0.920 1.00 0.00 H new ATOM 0 HA GLU A 214 56.965 -14.717 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 214 56.842 -15.846 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 214 57.167 -14.126 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 214 59.635 -14.690 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 214 59.174 -16.374 -0.716 1.00 0.00 H new ATOM 260 N HIS A 215 56.940 -17.195 2.119 1.00 0.00 N ATOM 261 CA HIS A 215 56.850 -18.596 2.514 1.00 0.00 C ATOM 262 C HIS A 215 56.935 -18.823 4.006 1.00 0.00 C ATOM 263 O HIS A 215 55.940 -19.191 4.622 1.00 0.00 O ATOM 264 CB HIS A 215 57.817 -19.522 1.744 1.00 0.00 C ATOM 265 CG HIS A 215 57.639 -19.461 0.259 1.00 0.00 C ATOM 266 ND1 HIS A 215 58.701 -19.216 -0.577 1.00 0.00 N ATOM 267 CD2 HIS A 215 56.517 -19.595 -0.476 1.00 0.00 C ATOM 268 CE1 HIS A 215 58.198 -19.200 -1.801 1.00 0.00 C ATOM 269 NE2 HIS A 215 56.882 -19.422 -1.787 1.00 0.00 N ATOM 0 H HIS A 215 56.026 -16.784 1.930 1.00 0.00 H new ATOM 0 HA HIS A 215 55.841 -18.882 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 215 58.843 -19.250 1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 215 57.670 -20.549 2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 215 55.524 -19.799 -0.105 1.00 0.00 H new ATOM 0 HE1 HIS A 215 58.778 -19.029 -2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 215 56.264 -19.457 -2.598 1.00 0.00 H new ATOM 277 N THR A 216 58.078 -18.585 4.603 1.00 0.00 N ATOM 278 CA THR A 216 58.249 -18.946 6.005 1.00 0.00 C ATOM 279 C THR A 216 58.807 -17.828 6.888 1.00 0.00 C ATOM 280 O THR A 216 59.065 -18.049 8.075 1.00 0.00 O ATOM 281 CB THR A 216 59.152 -20.189 6.130 1.00 0.00 C ATOM 282 OG1 THR A 216 60.295 -20.042 5.261 1.00 0.00 O ATOM 283 CG2 THR A 216 58.401 -21.469 5.780 1.00 0.00 C ATOM 0 H THR A 216 58.890 -18.154 4.161 1.00 0.00 H new ATOM 0 HA THR A 216 57.244 -19.154 6.371 1.00 0.00 H new ATOM 0 HB THR A 216 59.478 -20.267 7.167 1.00 0.00 H new ATOM 0 HG1 THR A 216 60.871 -20.831 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 216 59.071 -22.323 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 216 57.555 -21.591 6.456 1.00 0.00 H new ATOM 0 HG23 THR A 216 58.040 -21.410 4.753 1.00 0.00 H new ATOM 291 N LYS A 217 58.971 -16.639 6.357 1.00 0.00 N ATOM 292 CA LYS A 217 59.532 -15.595 7.100 1.00 0.00 C ATOM 293 C LYS A 217 58.487 -14.532 7.351 1.00 0.00 C ATOM 294 O LYS A 217 57.281 -14.727 7.137 1.00 0.00 O ATOM 295 CB LYS A 217 60.749 -14.988 6.366 1.00 0.00 C ATOM 296 CG LYS A 217 62.065 -15.769 6.414 1.00 0.00 C ATOM 297 CD LYS A 217 62.021 -17.094 5.676 1.00 0.00 C ATOM 298 CE LYS A 217 63.346 -17.827 5.795 1.00 0.00 C ATOM 299 NZ LYS A 217 63.699 -18.103 7.207 1.00 0.00 N ATOM 0 H LYS A 217 58.713 -16.394 5.401 1.00 0.00 H new ATOM 0 HA LYS A 217 59.878 -15.992 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 217 60.477 -14.852 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 217 60.931 -13.996 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 217 62.857 -15.153 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 217 62.329 -15.953 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 217 61.221 -17.714 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 217 61.790 -16.922 4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 217 63.292 -18.766 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 217 64.133 -17.231 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 64.424 -18.848 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 64.070 -17.237 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 62.852 -18.418 7.721 1.00 0.00 H new ATOM 313 N LYS A 218 58.957 -13.454 7.805 1.00 0.00 N ATOM 314 CA LYS A 218 58.186 -12.287 8.143 1.00 0.00 C ATOM 315 C LYS A 218 58.935 -11.051 7.676 1.00 0.00 C ATOM 316 O LYS A 218 59.808 -11.150 6.801 1.00 0.00 O ATOM 317 CB LYS A 218 57.955 -12.233 9.659 1.00 0.00 C ATOM 318 CG LYS A 218 56.972 -13.267 10.209 1.00 0.00 C ATOM 319 CD LYS A 218 55.501 -12.799 10.186 1.00 0.00 C ATOM 320 CE LYS A 218 54.886 -12.647 8.787 1.00 0.00 C ATOM 321 NZ LYS A 218 54.790 -13.931 8.052 1.00 0.00 N ATOM 0 H LYS A 218 59.955 -13.327 7.972 1.00 0.00 H new ATOM 0 HA LYS A 218 57.215 -12.329 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 218 58.914 -12.365 10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.593 -11.238 9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 218 57.061 -14.185 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 218 57.250 -13.511 11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 218 54.901 -13.510 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 218 55.433 -11.841 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 218 53.891 -12.213 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 218 55.487 -11.947 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 54.099 -13.838 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 55.720 -14.175 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 54.483 -14.682 8.703 1.00 0.00 H new ATOM 335 N MET A 219 58.580 -9.905 8.231 1.00 0.00 N ATOM 336 CA MET A 219 59.214 -8.632 7.911 1.00 0.00 C ATOM 337 C MET A 219 60.697 -8.684 8.158 1.00 0.00 C ATOM 338 O MET A 219 61.149 -9.152 9.208 1.00 0.00 O ATOM 339 CB MET A 219 58.610 -7.524 8.743 1.00 0.00 C ATOM 340 CG MET A 219 57.197 -7.267 8.446 1.00 0.00 C ATOM 341 SD MET A 219 56.452 -6.139 9.629 1.00 0.00 S ATOM 342 CE MET A 219 57.333 -4.639 9.219 1.00 0.00 C ATOM 0 H MET A 219 57.836 -9.828 8.924 1.00 0.00 H new ATOM 0 HA MET A 219 59.043 -8.434 6.853 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.710 -7.778 9.798 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.179 -6.608 8.581 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.108 -6.850 7.443 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.649 -8.209 8.450 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.907 -3.803 9.774 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.385 -4.751 9.482 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.245 -4.446 8.150 1.00 0.00 H new ATOM 352 N CYS A 220 61.445 -8.231 7.192 1.00 0.00 N ATOM 353 CA CYS A 220 62.871 -8.240 7.282 1.00 0.00 C ATOM 354 C CYS A 220 63.369 -7.180 8.254 1.00 0.00 C ATOM 355 O CYS A 220 63.054 -6.021 8.111 1.00 0.00 O ATOM 356 CB CYS A 220 63.439 -8.010 5.944 1.00 0.00 C ATOM 357 SG CYS A 220 65.172 -8.130 5.939 1.00 0.00 S ATOM 0 H CYS A 220 61.080 -7.846 6.321 1.00 0.00 H new ATOM 0 HA CYS A 220 63.193 -9.211 7.659 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.024 -8.736 5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.144 -7.022 5.590 1.00 0.00 H new ATOM 362 N THR A 221 64.212 -7.565 9.150 1.00 0.00 N ATOM 363 CA THR A 221 64.588 -6.707 10.260 1.00 0.00 C ATOM 364 C THR A 221 65.922 -5.945 10.103 1.00 0.00 C ATOM 365 O THR A 221 66.371 -5.271 11.034 1.00 0.00 O ATOM 366 CB THR A 221 64.548 -7.511 11.546 1.00 0.00 C ATOM 367 OG1 THR A 221 65.338 -8.714 11.379 1.00 0.00 O ATOM 368 CG2 THR A 221 63.109 -7.890 11.832 1.00 0.00 C ATOM 0 H THR A 221 64.668 -8.477 9.149 1.00 0.00 H new ATOM 0 HA THR A 221 63.849 -5.906 10.283 1.00 0.00 H new ATOM 0 HB THR A 221 64.951 -6.924 12.371 1.00 0.00 H new ATOM 0 HG1 THR A 221 65.317 -9.237 12.208 1.00 0.00 H new ATOM 0 HG21 THR A 221 63.062 -8.469 12.754 1.00 0.00 H new ATOM 0 HG22 THR A 221 62.509 -6.986 11.940 1.00 0.00 H new ATOM 0 HG23 THR A 221 62.719 -8.488 11.008 1.00 0.00 H new ATOM 376 N ARG A 222 66.568 -6.054 8.965 1.00 0.00 N ATOM 377 CA ARG A 222 67.734 -5.207 8.716 1.00 0.00 C ATOM 378 C ARG A 222 67.285 -3.883 8.121 1.00 0.00 C ATOM 379 O ARG A 222 66.088 -3.649 7.999 1.00 0.00 O ATOM 380 CB ARG A 222 68.733 -5.891 7.792 1.00 0.00 C ATOM 381 CG ARG A 222 69.331 -7.132 8.411 1.00 0.00 C ATOM 382 CD ARG A 222 70.443 -7.723 7.566 1.00 0.00 C ATOM 383 NE ARG A 222 70.956 -8.952 8.164 1.00 0.00 N ATOM 384 CZ ARG A 222 71.800 -9.807 7.589 1.00 0.00 C ATOM 385 NH1 ARG A 222 72.348 -9.542 6.410 1.00 0.00 N ATOM 386 NH2 ARG A 222 72.114 -10.922 8.220 1.00 0.00 N ATOM 0 H ARG A 222 66.324 -6.697 8.212 1.00 0.00 H new ATOM 0 HA ARG A 222 68.236 -5.027 9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.238 -6.156 6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.531 -5.192 7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 222 69.720 -6.890 9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 222 68.549 -7.878 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 222 70.071 -7.930 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 222 71.251 -6.999 7.464 1.00 0.00 H new ATOM 0 HE ARG A 222 70.639 -9.176 9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.125 -8.671 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 222 72.992 -10.209 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 222 71.712 -11.120 9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 222 72.759 -11.586 7.792 1.00 0.00 H new ATOM 400 N SER A 223 68.229 -3.042 7.745 1.00 0.00 N ATOM 401 CA SER A 223 67.956 -1.754 7.084 1.00 0.00 C ATOM 402 C SER A 223 67.218 -2.018 5.742 1.00 0.00 C ATOM 403 O SER A 223 67.136 -3.159 5.310 1.00 0.00 O ATOM 404 CB SER A 223 69.301 -1.033 6.839 1.00 0.00 C ATOM 405 OG SER A 223 69.123 0.318 6.435 1.00 0.00 O ATOM 0 H SER A 223 69.223 -3.224 7.886 1.00 0.00 H new ATOM 0 HA SER A 223 67.323 -1.124 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.897 -1.062 7.751 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.863 -1.568 6.073 1.00 0.00 H new ATOM 0 HG SER A 223 68.211 0.606 6.648 1.00 0.00 H new ATOM 411 N LEU A 224 66.650 -0.998 5.122 1.00 0.00 N ATOM 412 CA LEU A 224 65.919 -1.145 3.834 1.00 0.00 C ATOM 413 C LEU A 224 66.777 -1.855 2.807 1.00 0.00 C ATOM 414 O LEU A 224 66.466 -2.982 2.388 1.00 0.00 O ATOM 415 CB LEU A 224 65.574 0.219 3.280 1.00 0.00 C ATOM 416 CG LEU A 224 64.793 1.137 4.198 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.673 2.475 3.573 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.419 0.585 4.468 1.00 0.00 C ATOM 0 H LEU A 224 66.671 -0.042 5.478 1.00 0.00 H new ATOM 0 HA LEU A 224 65.016 -1.724 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.501 0.720 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.000 0.081 2.364 1.00 0.00 H new ATOM 0 HG LEU A 224 65.327 1.215 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.111 3.136 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.667 2.889 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.152 2.386 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 224 62.878 1.262 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 224 62.876 0.485 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.506 -0.393 4.942 1.00 0.00 H new ATOM 430 N ARG A 225 67.929 -1.268 2.549 1.00 0.00 N ATOM 431 CA ARG A 225 68.861 -1.679 1.515 1.00 0.00 C ATOM 432 C ARG A 225 69.739 -2.835 2.015 1.00 0.00 C ATOM 433 O ARG A 225 70.872 -3.031 1.589 1.00 0.00 O ATOM 434 CB ARG A 225 69.711 -0.478 1.172 1.00 0.00 C ATOM 435 CG ARG A 225 70.375 -0.622 -0.153 1.00 0.00 C ATOM 436 CD ARG A 225 71.131 0.604 -0.537 1.00 0.00 C ATOM 437 NE ARG A 225 72.223 0.903 0.395 1.00 0.00 N ATOM 438 CZ ARG A 225 73.178 1.817 0.199 1.00 0.00 C ATOM 439 NH1 ARG A 225 73.181 2.571 -0.897 1.00 0.00 N ATOM 440 NH2 ARG A 225 74.112 1.983 1.115 1.00 0.00 N ATOM 0 H ARG A 225 68.256 -0.458 3.076 1.00 0.00 H new ATOM 0 HA ARG A 225 68.326 -2.032 0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 225 69.089 0.417 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 225 70.468 -0.338 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 225 71.055 -1.473 -0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 225 69.624 -0.837 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.538 0.477 -1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 225 70.447 1.452 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 225 72.256 0.370 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 225 72.449 2.455 -1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 225 73.915 3.266 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 225 74.101 1.417 1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 225 74.846 2.678 0.975 1.00 0.00 H new ATOM 454 N CYS A 226 69.172 -3.591 2.910 1.00 0.00 N ATOM 455 CA CYS A 226 69.755 -4.736 3.518 1.00 0.00 C ATOM 456 C CYS A 226 70.446 -5.760 2.541 1.00 0.00 C ATOM 457 O CYS A 226 71.651 -5.986 2.659 1.00 0.00 O ATOM 458 CB CYS A 226 68.635 -5.309 4.345 1.00 0.00 C ATOM 459 SG CYS A 226 68.332 -7.028 4.336 1.00 0.00 S ATOM 0 H CYS A 226 68.229 -3.406 3.252 1.00 0.00 H new ATOM 0 HA CYS A 226 70.621 -4.463 4.122 1.00 0.00 H new ATOM 0 HB2 CYS A 226 68.815 -5.017 5.380 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.715 -4.816 4.030 1.00 0.00 H new ATOM 464 N PRO A 227 69.730 -6.392 1.586 1.00 0.00 N ATOM 465 CA PRO A 227 70.274 -7.457 0.755 1.00 0.00 C ATOM 466 C PRO A 227 70.110 -7.143 -0.771 1.00 0.00 C ATOM 467 O PRO A 227 70.727 -6.212 -1.297 1.00 0.00 O ATOM 468 CB PRO A 227 69.272 -8.530 1.187 1.00 0.00 C ATOM 469 CG PRO A 227 68.004 -7.734 1.381 1.00 0.00 C ATOM 470 CD PRO A 227 68.348 -6.280 1.268 1.00 0.00 C ATOM 0 HA PRO A 227 71.336 -7.673 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.153 -9.303 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.582 -9.029 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.263 -8.010 0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.566 -7.947 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.170 -5.875 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 227 67.797 -5.654 1.970 1.00 0.00 H new ATOM 478 N GLN A 228 69.228 -7.887 -1.435 1.00 0.00 N ATOM 479 CA GLN A 228 68.922 -7.699 -2.811 1.00 0.00 C ATOM 480 C GLN A 228 67.468 -7.225 -2.841 1.00 0.00 C ATOM 481 O GLN A 228 66.859 -7.057 -3.890 1.00 0.00 O ATOM 482 CB GLN A 228 69.116 -9.030 -3.571 1.00 0.00 C ATOM 483 CG GLN A 228 69.052 -8.927 -5.093 1.00 0.00 C ATOM 484 CD GLN A 228 69.296 -10.263 -5.786 1.00 0.00 C ATOM 485 OE1 GLN A 228 68.982 -11.337 -5.253 1.00 0.00 O ATOM 486 NE2 GLN A 228 69.832 -10.212 -6.976 1.00 0.00 N ATOM 0 H GLN A 228 68.706 -8.649 -1.002 1.00 0.00 H new ATOM 0 HA GLN A 228 69.571 -6.971 -3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.082 -9.451 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.353 -9.734 -3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.074 -8.544 -5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 228 69.793 -8.205 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 228 70.079 -9.311 -7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 228 70.004 -11.073 -7.495 1.00 0.00 H new ATOM 495 N HIS A 229 66.906 -7.064 -1.619 1.00 0.00 N ATOM 496 CA HIS A 229 65.615 -6.496 -1.426 1.00 0.00 C ATOM 497 C HIS A 229 65.667 -5.080 -1.982 1.00 0.00 C ATOM 498 O HIS A 229 66.482 -4.278 -1.548 1.00 0.00 O ATOM 499 CB HIS A 229 65.132 -6.494 0.085 1.00 0.00 C ATOM 500 CG HIS A 229 64.891 -7.890 0.785 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.219 -8.286 2.201 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.151 -8.888 0.275 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.603 -9.402 2.352 1.00 0.00 C ATOM 504 NE2 HIS A 229 63.976 -9.826 1.248 1.00 0.00 N ATOM 0 H HIS A 229 67.367 -7.338 -0.752 1.00 0.00 H new ATOM 0 HA HIS A 229 64.881 -7.110 -1.947 1.00 0.00 H new ATOM 0 HB2 HIS A 229 65.871 -5.949 0.672 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.202 -5.928 0.138 1.00 0.00 H new ATOM 0 HD2 HIS A 229 63.762 -8.938 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.592 -9.948 3.284 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.458 -10.699 1.152 1.00 0.00 H new ATOM 512 N THR A 230 64.820 -4.806 -2.924 1.00 0.00 N ATOM 513 CA THR A 230 64.862 -3.579 -3.690 1.00 0.00 C ATOM 514 C THR A 230 63.973 -2.500 -3.098 1.00 0.00 C ATOM 515 O THR A 230 63.232 -2.747 -2.135 1.00 0.00 O ATOM 516 CB THR A 230 64.372 -3.860 -5.123 1.00 0.00 C ATOM 517 OG1 THR A 230 63.017 -4.351 -5.065 1.00 0.00 O ATOM 518 CG2 THR A 230 65.224 -4.911 -5.784 1.00 0.00 C ATOM 0 H THR A 230 64.063 -5.433 -3.195 1.00 0.00 H new ATOM 0 HA THR A 230 65.893 -3.226 -3.678 1.00 0.00 H new ATOM 0 HB THR A 230 64.432 -2.935 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.804 -4.823 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 230 64.859 -5.093 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.257 -4.567 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.173 -5.835 -5.208 1.00 0.00 H new ATOM 526 N ASP A 231 64.020 -1.316 -3.702 1.00 0.00 N ATOM 527 CA ASP A 231 63.132 -0.201 -3.338 1.00 0.00 C ATOM 528 C ASP A 231 61.691 -0.555 -3.663 1.00 0.00 C ATOM 529 O ASP A 231 60.767 -0.068 -3.035 1.00 0.00 O ATOM 530 CB ASP A 231 63.508 1.098 -4.072 1.00 0.00 C ATOM 531 CG ASP A 231 63.418 1.006 -5.586 1.00 0.00 C ATOM 532 OD1 ASP A 231 64.416 0.594 -6.222 1.00 0.00 O ATOM 533 OD2 ASP A 231 62.360 1.342 -6.166 1.00 0.00 O ATOM 0 H ASP A 231 64.671 -1.096 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 231 63.247 -0.034 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 231 62.853 1.899 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 231 64.525 1.377 -3.796 1.00 0.00 H new ATOM 538 N GLU A 232 61.522 -1.471 -4.593 1.00 0.00 N ATOM 539 CA GLU A 232 60.218 -1.922 -5.016 1.00 0.00 C ATOM 540 C GLU A 232 59.710 -2.859 -3.978 1.00 0.00 C ATOM 541 O GLU A 232 58.532 -2.966 -3.718 1.00 0.00 O ATOM 542 CB GLU A 232 60.354 -2.623 -6.327 1.00 0.00 C ATOM 543 CG GLU A 232 60.882 -1.728 -7.409 1.00 0.00 C ATOM 544 CD GLU A 232 61.281 -2.491 -8.608 1.00 0.00 C ATOM 545 OE1 GLU A 232 62.430 -2.939 -8.660 1.00 0.00 O ATOM 546 OE2 GLU A 232 60.459 -2.681 -9.517 1.00 0.00 O ATOM 0 H GLU A 232 62.294 -1.926 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 232 59.526 -1.088 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 232 61.021 -3.477 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.382 -3.015 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 232 60.120 -0.998 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.739 -1.169 -7.032 1.00 0.00 H new ATOM 553 N GLN A 233 60.634 -3.510 -3.353 1.00 0.00 N ATOM 554 CA GLN A 233 60.359 -4.344 -2.253 1.00 0.00 C ATOM 555 C GLN A 233 59.976 -3.547 -1.034 1.00 0.00 C ATOM 556 O GLN A 233 59.155 -3.977 -0.216 1.00 0.00 O ATOM 557 CB GLN A 233 61.490 -5.310 -2.011 1.00 0.00 C ATOM 558 CG GLN A 233 61.380 -6.472 -2.938 1.00 0.00 C ATOM 559 CD GLN A 233 62.292 -7.589 -2.614 1.00 0.00 C ATOM 560 OE1 GLN A 233 61.963 -8.455 -1.807 1.00 0.00 O ATOM 561 NE2 GLN A 233 63.378 -7.651 -3.299 1.00 0.00 N ATOM 0 H GLN A 233 61.621 -3.469 -3.606 1.00 0.00 H new ATOM 0 HA GLN A 233 59.486 -4.951 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.446 -4.807 -2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.468 -5.656 -0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.354 -6.839 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.584 -6.134 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 233 63.609 -6.907 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 233 64.009 -8.444 -3.184 1.00 0.00 H new ATOM 570 N ARG A 234 60.557 -2.385 -0.921 1.00 0.00 N ATOM 571 CA ARG A 234 60.236 -1.453 0.149 1.00 0.00 C ATOM 572 C ARG A 234 58.890 -0.822 -0.133 1.00 0.00 C ATOM 573 O ARG A 234 58.198 -0.378 0.763 1.00 0.00 O ATOM 574 CB ARG A 234 61.327 -0.398 0.251 1.00 0.00 C ATOM 575 CG ARG A 234 62.689 -1.003 0.474 1.00 0.00 C ATOM 576 CD ARG A 234 62.800 -1.575 1.830 1.00 0.00 C ATOM 577 NE ARG A 234 63.207 -2.904 1.647 1.00 0.00 N ATOM 578 CZ ARG A 234 62.352 -3.843 1.523 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.188 -3.799 2.173 1.00 0.00 N ATOM 580 NH2 ARG A 234 62.657 -4.841 0.783 1.00 0.00 N ATOM 0 H ARG A 234 61.271 -2.047 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 234 60.182 -1.978 1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.341 0.196 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.096 0.283 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.871 -1.780 -0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.456 -0.242 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.523 -1.023 2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 234 61.846 -1.526 2.355 1.00 0.00 H new ATOM 0 HE ARG A 234 64.202 -3.124 1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 234 60.972 -3.007 2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.514 -4.557 2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 234 63.562 -4.870 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 234 61.995 -5.608 0.663 1.00 0.00 H new ATOM 594 N ARG A 235 58.526 -0.846 -1.387 1.00 0.00 N ATOM 595 CA ARG A 235 57.255 -0.325 -1.857 1.00 0.00 C ATOM 596 C ARG A 235 56.194 -1.341 -1.513 1.00 0.00 C ATOM 597 O ARG A 235 55.222 -1.050 -0.832 1.00 0.00 O ATOM 598 CB ARG A 235 57.296 -0.179 -3.381 1.00 0.00 C ATOM 599 CG ARG A 235 56.102 0.531 -3.995 1.00 0.00 C ATOM 600 CD ARG A 235 56.198 2.012 -3.738 1.00 0.00 C ATOM 601 NE ARG A 235 57.451 2.549 -4.282 1.00 0.00 N ATOM 602 CZ ARG A 235 58.273 3.378 -3.635 1.00 0.00 C ATOM 603 NH1 ARG A 235 57.930 3.856 -2.443 1.00 0.00 N ATOM 604 NH2 ARG A 235 59.422 3.733 -4.187 1.00 0.00 N ATOM 0 H ARG A 235 59.109 -1.233 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 235 57.049 0.643 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.201 0.364 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.375 -1.172 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 235 56.067 0.341 -5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.177 0.139 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.349 2.522 -4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.148 2.205 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 235 57.714 2.267 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 235 57.039 3.589 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 235 58.557 4.490 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 235 59.679 3.373 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 235 60.051 4.366 -3.693 1.00 0.00 H new ATOM 618 N THR A 236 56.476 -2.550 -1.938 1.00 0.00 N ATOM 619 CA THR A 236 55.648 -3.715 -1.839 1.00 0.00 C ATOM 620 C THR A 236 55.106 -3.948 -0.444 1.00 0.00 C ATOM 621 O THR A 236 53.915 -4.101 -0.255 1.00 0.00 O ATOM 622 CB THR A 236 56.491 -4.930 -2.341 1.00 0.00 C ATOM 623 OG1 THR A 236 56.484 -5.032 -3.777 1.00 0.00 O ATOM 624 CG2 THR A 236 56.178 -6.262 -1.658 1.00 0.00 C ATOM 0 H THR A 236 57.363 -2.754 -2.398 1.00 0.00 H new ATOM 0 HA THR A 236 54.761 -3.577 -2.458 1.00 0.00 H new ATOM 0 HB THR A 236 57.511 -4.707 -2.029 1.00 0.00 H new ATOM 0 HG1 THR A 236 57.121 -4.390 -4.154 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.814 -7.043 -2.075 1.00 0.00 H new ATOM 0 HG22 THR A 236 56.365 -6.175 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 236 55.132 -6.519 -1.824 1.00 0.00 H new ATOM 632 N VAL A 237 55.957 -3.925 0.516 1.00 0.00 N ATOM 633 CA VAL A 237 55.547 -4.265 1.829 1.00 0.00 C ATOM 634 C VAL A 237 54.876 -3.082 2.544 1.00 0.00 C ATOM 635 O VAL A 237 53.978 -3.258 3.350 1.00 0.00 O ATOM 636 CB VAL A 237 56.723 -4.847 2.612 1.00 0.00 C ATOM 637 CG1 VAL A 237 57.783 -3.817 2.933 1.00 0.00 C ATOM 638 CG2 VAL A 237 56.274 -5.625 3.812 1.00 0.00 C ATOM 0 H VAL A 237 56.941 -3.675 0.418 1.00 0.00 H new ATOM 0 HA VAL A 237 54.782 -5.039 1.766 1.00 0.00 H new ATOM 0 HB VAL A 237 57.210 -5.564 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 237 58.592 -4.289 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 237 58.176 -3.398 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 237 57.346 -3.020 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.144 -6.019 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 237 55.713 -4.972 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 237 55.638 -6.451 3.493 1.00 0.00 H new ATOM 648 N ARG A 238 55.284 -1.885 2.193 1.00 0.00 N ATOM 649 CA ARG A 238 54.789 -0.696 2.777 1.00 0.00 C ATOM 650 C ARG A 238 53.374 -0.419 2.252 1.00 0.00 C ATOM 651 O ARG A 238 52.489 -0.014 3.005 1.00 0.00 O ATOM 652 CB ARG A 238 55.739 0.381 2.354 1.00 0.00 C ATOM 653 CG ARG A 238 55.767 1.568 3.209 1.00 0.00 C ATOM 654 CD ARG A 238 56.831 2.517 2.718 1.00 0.00 C ATOM 655 NE ARG A 238 56.990 3.671 3.593 1.00 0.00 N ATOM 656 CZ ARG A 238 57.405 4.887 3.222 1.00 0.00 C ATOM 657 NH1 ARG A 238 57.650 5.157 1.942 1.00 0.00 N ATOM 658 NH2 ARG A 238 57.568 5.834 4.133 1.00 0.00 N ATOM 0 H ARG A 238 55.988 -1.725 1.473 1.00 0.00 H new ATOM 0 HA ARG A 238 54.724 -0.758 3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 238 56.744 -0.040 2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 238 55.482 0.690 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 238 54.794 2.059 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 238 55.969 1.281 4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.781 1.987 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.576 2.857 1.714 1.00 0.00 H new ATOM 0 HE ARG A 238 56.764 3.539 4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 238 57.522 4.434 1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 238 57.966 6.087 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 238 57.377 5.635 5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 238 57.884 6.762 3.853 1.00 0.00 H new ATOM 672 N VAL A 239 53.172 -0.691 0.966 1.00 0.00 N ATOM 673 CA VAL A 239 51.888 -0.502 0.305 1.00 0.00 C ATOM 674 C VAL A 239 50.887 -1.516 0.890 1.00 0.00 C ATOM 675 O VAL A 239 49.719 -1.212 1.158 1.00 0.00 O ATOM 676 CB VAL A 239 52.056 -0.676 -1.264 1.00 0.00 C ATOM 677 CG1 VAL A 239 52.059 -2.109 -1.738 1.00 0.00 C ATOM 678 CG2 VAL A 239 51.102 0.148 -2.063 1.00 0.00 C ATOM 0 H VAL A 239 53.901 -1.051 0.350 1.00 0.00 H new ATOM 0 HA VAL A 239 51.509 0.505 0.479 1.00 0.00 H new ATOM 0 HB VAL A 239 53.057 -0.288 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 239 52.178 -2.134 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 239 52.884 -2.645 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 239 51.117 -2.584 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 239 51.276 -0.022 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 239 50.079 -0.134 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 239 51.253 1.203 -1.835 1.00 0.00 H new ATOM 688 N TYR A 240 51.423 -2.681 1.147 1.00 0.00 N ATOM 689 CA TYR A 240 50.740 -3.818 1.720 1.00 0.00 C ATOM 690 C TYR A 240 50.328 -3.540 3.170 1.00 0.00 C ATOM 691 O TYR A 240 49.185 -3.766 3.559 1.00 0.00 O ATOM 692 CB TYR A 240 51.713 -5.004 1.635 1.00 0.00 C ATOM 693 CG TYR A 240 51.317 -6.288 2.303 1.00 0.00 C ATOM 694 CD1 TYR A 240 51.610 -6.502 3.638 1.00 0.00 C ATOM 695 CD2 TYR A 240 50.703 -7.303 1.594 1.00 0.00 C ATOM 696 CE1 TYR A 240 51.306 -7.678 4.251 1.00 0.00 C ATOM 697 CE2 TYR A 240 50.380 -8.495 2.202 1.00 0.00 C ATOM 698 CZ TYR A 240 50.685 -8.680 3.531 1.00 0.00 C ATOM 699 OH TYR A 240 50.387 -9.885 4.135 1.00 0.00 O ATOM 0 H TYR A 240 52.405 -2.875 0.951 1.00 0.00 H new ATOM 0 HA TYR A 240 49.820 -4.034 1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.889 -5.217 0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.665 -4.686 2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 240 52.090 -5.719 4.206 1.00 0.00 H new ATOM 0 HD2 TYR A 240 50.473 -7.159 0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 240 51.548 -7.827 5.293 1.00 0.00 H new ATOM 0 HE2 TYR A 240 49.892 -9.278 1.641 1.00 0.00 H new ATOM 0 HH TYR A 240 49.951 -10.477 3.487 1.00 0.00 H new ATOM 709 N PHE A 241 51.268 -3.095 3.960 1.00 0.00 N ATOM 710 CA PHE A 241 51.036 -2.822 5.358 1.00 0.00 C ATOM 711 C PHE A 241 50.321 -1.533 5.680 1.00 0.00 C ATOM 712 O PHE A 241 49.331 -1.542 6.415 1.00 0.00 O ATOM 713 CB PHE A 241 52.339 -2.791 6.125 1.00 0.00 C ATOM 714 CG PHE A 241 52.886 -4.094 6.573 1.00 0.00 C ATOM 715 CD1 PHE A 241 52.094 -4.997 7.267 1.00 0.00 C ATOM 716 CD2 PHE A 241 54.210 -4.398 6.355 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.618 -6.185 7.721 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.735 -5.579 6.818 1.00 0.00 C ATOM 719 CZ PHE A 241 53.942 -6.469 7.498 1.00 0.00 C ATOM 0 H PHE A 241 52.223 -2.910 3.653 1.00 0.00 H new ATOM 0 HA PHE A 241 50.381 -3.641 5.654 1.00 0.00 H new ATOM 0 HB2 PHE A 241 53.089 -2.305 5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 241 52.200 -2.161 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 241 51.056 -4.765 7.453 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.839 -3.704 5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.992 -6.889 8.249 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.776 -5.809 6.646 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.361 -7.396 7.859 1.00 0.00 H new ATOM 729 N LEU A 242 50.796 -0.441 5.168 1.00 0.00 N ATOM 730 CA LEU A 242 50.381 0.822 5.725 1.00 0.00 C ATOM 731 C LEU A 242 49.865 1.824 4.723 1.00 0.00 C ATOM 732 O LEU A 242 49.662 2.996 5.073 1.00 0.00 O ATOM 733 CB LEU A 242 51.552 1.385 6.542 1.00 0.00 C ATOM 734 CG LEU A 242 52.862 1.598 5.770 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.043 3.046 5.352 1.00 0.00 C ATOM 736 CD2 LEU A 242 54.054 1.066 6.546 1.00 0.00 C ATOM 0 H LEU A 242 51.452 -0.389 4.389 1.00 0.00 H new ATOM 0 HA LEU A 242 49.515 0.633 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 242 51.246 2.339 6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.748 0.709 7.374 1.00 0.00 H new ATOM 0 HG LEU A 242 52.798 1.018 4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 242 53.982 3.153 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.215 3.345 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.062 3.681 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.966 1.232 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 242 54.127 1.585 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.926 -0.002 6.722 1.00 0.00 H new ATOM 748 N GLY A 243 49.639 1.420 3.503 1.00 0.00 N ATOM 749 CA GLY A 243 49.085 2.392 2.604 1.00 0.00 C ATOM 750 C GLY A 243 49.242 2.080 1.151 1.00 0.00 C ATOM 751 O GLY A 243 50.354 2.081 0.634 1.00 0.00 O ATOM 0 H GLY A 243 49.815 0.489 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 243 48.023 2.501 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 243 49.552 3.356 2.804 1.00 0.00 H new ATOM 755 N PRO A 244 48.121 1.822 0.454 1.00 0.00 N ATOM 756 CA PRO A 244 48.095 1.613 -1.003 1.00 0.00 C ATOM 757 C PRO A 244 48.684 2.811 -1.807 1.00 0.00 C ATOM 758 O PRO A 244 48.986 2.688 -2.995 1.00 0.00 O ATOM 759 CB PRO A 244 46.600 1.466 -1.312 1.00 0.00 C ATOM 760 CG PRO A 244 45.996 0.983 -0.046 1.00 0.00 C ATOM 761 CD PRO A 244 46.776 1.636 1.054 1.00 0.00 C ATOM 0 HA PRO A 244 48.704 0.756 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 244 46.165 2.417 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 244 46.432 0.760 -2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 244 44.941 1.251 0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 244 46.054 -0.103 0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 244 46.333 2.586 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 244 46.816 1.010 1.945 1.00 0.00 H new ATOM 769 N SER A 245 48.837 3.942 -1.156 1.00 0.00 N ATOM 770 CA SER A 245 49.370 5.134 -1.770 1.00 0.00 C ATOM 771 C SER A 245 50.795 5.458 -1.265 1.00 0.00 C ATOM 772 O SER A 245 51.229 6.620 -1.310 1.00 0.00 O ATOM 773 CB SER A 245 48.421 6.278 -1.460 1.00 0.00 C ATOM 774 OG SER A 245 48.108 6.292 -0.072 1.00 0.00 O ATOM 0 H SER A 245 48.591 4.060 -0.173 1.00 0.00 H new ATOM 0 HA SER A 245 49.452 4.980 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 245 48.876 7.226 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 245 47.508 6.172 -2.046 1.00 0.00 H new ATOM 0 HG SER A 245 47.497 7.034 0.118 1.00 0.00 H new ATOM 780 N ALA A 246 51.527 4.443 -0.803 1.00 0.00 N ATOM 781 CA ALA A 246 52.889 4.657 -0.300 1.00 0.00 C ATOM 782 C ALA A 246 53.891 4.883 -1.443 1.00 0.00 C ATOM 783 O ALA A 246 54.638 3.972 -1.823 1.00 0.00 O ATOM 784 CB ALA A 246 53.335 3.517 0.613 1.00 0.00 C ATOM 0 H ALA A 246 51.207 3.475 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 246 52.869 5.568 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 246 54.348 3.709 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 246 52.660 3.448 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 246 53.316 2.578 0.059 1.00 0.00 H new ATOM 790 N VAL A 247 53.869 6.109 -1.972 1.00 0.00 N ATOM 791 CA VAL A 247 54.678 6.575 -3.092 1.00 0.00 C ATOM 792 C VAL A 247 54.259 5.904 -4.406 1.00 0.00 C ATOM 793 O VAL A 247 54.456 4.705 -4.624 1.00 0.00 O ATOM 794 CB VAL A 247 56.193 6.429 -2.850 1.00 0.00 C ATOM 795 CG1 VAL A 247 57.005 6.908 -4.056 1.00 0.00 C ATOM 796 CG2 VAL A 247 56.628 7.173 -1.593 1.00 0.00 C ATOM 0 H VAL A 247 53.254 6.837 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 247 54.483 7.644 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 247 56.391 5.367 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 247 58.069 6.790 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 247 56.738 6.317 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 247 56.787 7.959 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 247 57.702 7.050 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 247 56.395 8.233 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 247 56.099 6.769 -0.730 1.00 0.00 H new ATOM 806 N LEU A 248 53.680 6.682 -5.259 1.00 0.00 N ATOM 807 CA LEU A 248 53.192 6.225 -6.541 1.00 0.00 C ATOM 808 C LEU A 248 54.061 6.803 -7.649 1.00 0.00 C ATOM 809 O LEU A 248 54.924 7.650 -7.379 1.00 0.00 O ATOM 810 CB LEU A 248 51.722 6.651 -6.705 1.00 0.00 C ATOM 811 CG LEU A 248 50.729 6.078 -5.682 1.00 0.00 C ATOM 812 CD1 LEU A 248 49.326 6.531 -6.010 1.00 0.00 C ATOM 813 CD2 LEU A 248 50.799 4.555 -5.640 1.00 0.00 C ATOM 0 H LEU A 248 53.524 7.676 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 248 53.244 5.138 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 248 51.674 7.739 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 248 51.391 6.361 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 248 51.002 6.454 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 248 48.630 6.119 -5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 248 49.279 7.620 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 248 49.054 6.182 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 248 50.085 4.178 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 248 50.556 4.152 -6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 248 51.805 4.245 -5.359 1.00 0.00 H new ATOM 825 N PRO A 249 53.890 6.326 -8.895 1.00 0.00 N ATOM 826 CA PRO A 249 54.630 6.821 -10.060 1.00 0.00 C ATOM 827 C PRO A 249 54.170 8.231 -10.464 1.00 0.00 C ATOM 828 O PRO A 249 53.555 8.956 -9.665 1.00 0.00 O ATOM 829 CB PRO A 249 54.274 5.774 -11.153 1.00 0.00 C ATOM 830 CG PRO A 249 53.736 4.619 -10.374 1.00 0.00 C ATOM 831 CD PRO A 249 52.987 5.240 -9.283 1.00 0.00 C ATOM 0 HA PRO A 249 55.701 6.918 -9.882 1.00 0.00 H new ATOM 0 HB2 PRO A 249 53.536 6.163 -11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 249 55.150 5.490 -11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 249 53.094 3.988 -10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 249 54.538 3.985 -9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 249 52.016 5.611 -9.610 1.00 0.00 H new ATOM 0 HD3 PRO A 249 52.803 4.546 -8.463 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 65.988 -7.249 3.996 1.00 0.00 ZN