USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 587 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 Set 1.1: A 2 MET CE :methyl -131:sc= 0 (180deg=-0.848) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.907 K(o=-0.91,f=-12!) USER MOD Set 2.1: A 37 THR OG1 : rot -57:sc= 1.34 USER MOD Set 2.2: A 40 THR OG1 : rot 77:sc= 2.83 USER MOD Set 2.3: A 41 ASN : amide:sc= -1.82! C(o=2.4!,f=-1.5!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.04 K(o=-11,f=-22!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -5.19! C(o=-11!,f=-13!) USER MOD Set 3.3: A 33 HIS : no HD1:sc= -4.65! C(o=-11!,f=-15!) USER MOD Set 4.1: A 16 THR OG1 : rot 14:sc= 0.00633 USER MOD Set 4.2: A 18 THR OG1 : rot -57:sc= 2.25 USER MOD Set 4.3: A 20 THR OG1 : rot 81:sc= 0.986 USER MOD Set 4.4: A 67 ASN : amide:sc= -0.142 K(o=3.1,f=-6.8!) USER MOD Single : A 1 CYS N :NH3+ -147:sc= 1.04 (180deg=0.183) USER MOD Single : A 5 ASN : amide:sc=-0.00262 K(o=-0.0026,f=-0.75) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0802) USER MOD Single : A 9 TYR OH : rot -130:sc= -1.26! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 28 GLN : amide:sc= -1.04 K(o=-1,f=-8!) USER MOD Single : A 34 SER OG : rot -52:sc= 0.0126 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.15) USER MOD Single : A 49 ASN : amide:sc= 0.778 K(o=0.78,f=-4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.74 K(o=-0.74,f=-12!) USER MOD Single : A 64 TYR OH : rot 30:sc= -0.338 USER MOD Single : A 65 THR OG1 : rot -95:sc= 0.136 USER MOD Single : A 66 THR OG1 : rot -71:sc= 0.412 USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= 1.02 (180deg=0.127) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -127:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 4.732 30.090 2.376 1.00 0.00 N ATOM 51 CA CYS A 1 5.743 30.307 3.386 1.00 0.00 C ATOM 52 C CYS A 1 5.150 30.146 4.789 1.00 0.00 C ATOM 53 O CYS A 1 3.937 30.252 4.980 1.00 0.00 O ATOM 54 CB CYS A 1 6.369 31.692 3.198 1.00 0.00 C ATOM 55 SG CYS A 1 5.303 32.911 2.354 1.00 0.00 S ATOM 0 H1 CYS A 1 5.167 29.657 1.537 1.00 0.00 H new ATOM 0 H2 CYS A 1 3.997 29.457 2.751 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.303 31.000 2.113 1.00 0.00 H new ATOM 0 HA CYS A 1 6.526 29.557 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.643 32.087 4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.292 31.583 2.629 1.00 0.00 H new ATOM 60 N MET A 2 6.012 29.884 5.769 1.00 0.00 N ATOM 61 CA MET A 2 5.565 29.643 7.152 1.00 0.00 C ATOM 62 C MET A 2 5.666 30.877 8.020 1.00 0.00 C ATOM 63 O MET A 2 6.478 31.753 7.789 1.00 0.00 O ATOM 64 CB MET A 2 6.383 28.539 7.823 1.00 0.00 C ATOM 65 CG MET A 2 7.884 28.770 7.737 1.00 0.00 C ATOM 66 SD MET A 2 8.806 27.836 8.964 1.00 0.00 S ATOM 67 CE MET A 2 10.479 28.355 8.597 1.00 0.00 C ATOM 0 H MET A 2 7.022 29.832 5.639 1.00 0.00 H new ATOM 0 HA MET A 2 4.520 29.345 7.066 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.092 28.466 8.871 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.142 27.583 7.358 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.232 28.495 6.741 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.091 29.832 7.865 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.122 27.479 8.516 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.492 28.902 7.655 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.843 29.000 9.396 1.00 0.00 H new ATOM 77 N PHE A 3 4.844 30.909 9.047 1.00 0.00 N ATOM 78 CA PHE A 3 4.844 31.991 10.001 1.00 0.00 C ATOM 79 C PHE A 3 5.386 31.453 11.310 1.00 0.00 C ATOM 80 O PHE A 3 4.720 30.663 11.977 1.00 0.00 O ATOM 81 CB PHE A 3 3.423 32.538 10.188 1.00 0.00 C ATOM 82 CG PHE A 3 2.794 33.064 8.921 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.266 32.194 7.980 1.00 0.00 C ATOM 84 CD2 PHE A 3 2.728 34.424 8.676 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.686 32.671 6.821 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.148 34.907 7.517 1.00 0.00 C ATOM 87 CZ PHE A 3 1.625 34.030 6.589 1.00 0.00 C ATOM 0 H PHE A 3 4.156 30.182 9.242 1.00 0.00 H new ATOM 0 HA PHE A 3 5.467 32.811 9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 3 2.791 31.748 10.594 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.447 33.338 10.928 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.309 31.129 8.155 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.134 35.117 9.398 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.280 31.981 6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.104 35.971 7.338 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.170 34.406 5.685 1.00 0.00 H new ATOM 97 N GLY A 4 6.616 31.813 11.640 1.00 0.00 N ATOM 98 CA GLY A 4 7.219 31.303 12.832 1.00 0.00 C ATOM 99 C GLY A 4 7.736 29.903 12.624 1.00 0.00 C ATOM 100 O GLY A 4 8.614 29.670 11.789 1.00 0.00 O ATOM 0 H GLY A 4 7.200 32.450 11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.038 31.955 13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.490 31.308 13.642 1.00 0.00 H new ATOM 104 N ASN A 5 7.125 28.972 13.333 1.00 0.00 N ATOM 105 CA ASN A 5 7.514 27.571 13.299 1.00 0.00 C ATOM 106 C ASN A 5 6.781 26.863 12.186 1.00 0.00 C ATOM 107 O ASN A 5 7.136 25.759 11.793 1.00 0.00 O ATOM 108 CB ASN A 5 7.166 26.882 14.619 1.00 0.00 C ATOM 109 CG ASN A 5 8.013 27.342 15.784 1.00 0.00 C ATOM 110 OD1 ASN A 5 9.151 27.778 15.622 1.00 0.00 O ATOM 111 ND2 ASN A 5 7.459 27.225 16.978 1.00 0.00 N ATOM 0 H ASN A 5 6.339 29.166 13.954 1.00 0.00 H new ATOM 0 HA ASN A 5 8.591 27.523 13.135 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.116 27.065 14.849 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.283 25.805 14.499 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.979 27.502 17.811 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.511 26.858 17.067 1.00 0.00 H new ATOM 118 N GLY A 6 5.737 27.492 11.695 1.00 0.00 N ATOM 119 CA GLY A 6 4.891 26.837 10.736 1.00 0.00 C ATOM 120 C GLY A 6 3.570 26.457 11.354 1.00 0.00 C ATOM 121 O GLY A 6 2.787 25.708 10.768 1.00 0.00 O ATOM 0 H GLY A 6 5.460 28.442 11.942 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.722 27.496 9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.389 25.945 10.355 1.00 0.00 H new ATOM 125 N LYS A 7 3.330 26.980 12.548 1.00 0.00 N ATOM 126 CA LYS A 7 2.073 26.773 13.243 1.00 0.00 C ATOM 127 C LYS A 7 0.931 27.390 12.437 1.00 0.00 C ATOM 128 O LYS A 7 -0.149 26.813 12.322 1.00 0.00 O ATOM 129 CB LYS A 7 2.157 27.396 14.634 1.00 0.00 C ATOM 130 CG LYS A 7 3.093 26.661 15.578 1.00 0.00 C ATOM 131 CD LYS A 7 3.235 27.386 16.909 1.00 0.00 C ATOM 132 CE LYS A 7 1.934 27.397 17.696 1.00 0.00 C ATOM 133 NZ LYS A 7 1.557 26.040 18.173 1.00 0.00 N ATOM 0 H LYS A 7 3.999 27.557 13.058 1.00 0.00 H new ATOM 0 HA LYS A 7 1.879 25.706 13.349 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.489 28.430 14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.159 27.420 15.072 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.717 25.653 15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.073 26.560 15.112 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.013 26.905 17.502 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.559 28.411 16.730 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.033 28.066 18.550 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.136 27.796 17.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.764 26.115 18.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.272 25.454 17.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.371 25.601 18.649 1.00 0.00 H new ATOM 147 N GLY A 8 1.197 28.567 11.876 1.00 0.00 N ATOM 148 CA GLY A 8 0.279 29.210 10.973 1.00 0.00 C ATOM 149 C GLY A 8 0.791 29.166 9.548 1.00 0.00 C ATOM 150 O GLY A 8 0.422 29.991 8.723 1.00 0.00 O ATOM 0 H GLY A 8 2.056 29.091 12.042 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.693 28.720 11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.131 30.246 11.277 1.00 0.00 H new ATOM 154 N TYR A 9 1.676 28.211 9.276 1.00 0.00 N ATOM 155 CA TYR A 9 2.135 27.937 7.922 1.00 0.00 C ATOM 156 C TYR A 9 0.980 27.397 7.092 1.00 0.00 C ATOM 157 O TYR A 9 0.516 26.289 7.328 1.00 0.00 O ATOM 158 CB TYR A 9 3.271 26.911 7.976 1.00 0.00 C ATOM 159 CG TYR A 9 3.682 26.329 6.643 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.659 27.080 5.476 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.079 25.006 6.558 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.007 26.522 4.265 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.440 24.445 5.353 1.00 0.00 C ATOM 164 CZ TYR A 9 4.397 25.205 4.208 1.00 0.00 C ATOM 165 OH TYR A 9 4.719 24.640 2.999 1.00 0.00 O ATOM 0 H TYR A 9 2.092 27.609 9.986 1.00 0.00 H new ATOM 0 HA TYR A 9 2.500 28.855 7.461 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.142 27.382 8.432 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.970 26.095 8.633 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.364 28.118 5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.106 24.402 7.453 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.973 27.117 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.755 23.413 5.308 1.00 0.00 H new ATOM 0 HH TYR A 9 4.237 23.793 2.895 1.00 0.00 H new ATOM 175 N ARG A 10 0.498 28.180 6.147 1.00 0.00 N ATOM 176 CA ARG A 10 -0.631 27.764 5.324 1.00 0.00 C ATOM 177 C ARG A 10 -0.203 27.710 3.856 1.00 0.00 C ATOM 178 O ARG A 10 -0.952 28.097 2.960 1.00 0.00 O ATOM 179 CB ARG A 10 -1.810 28.735 5.496 1.00 0.00 C ATOM 180 CG ARG A 10 -1.808 29.508 6.814 1.00 0.00 C ATOM 181 CD ARG A 10 -2.452 28.765 7.983 1.00 0.00 C ATOM 182 NE ARG A 10 -1.774 27.523 8.320 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.801 26.980 9.535 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.577 27.496 10.481 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.042 25.929 9.804 1.00 0.00 N ATOM 0 H ARG A 10 0.866 29.106 5.927 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.954 26.773 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.800 29.448 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.741 28.173 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.778 29.751 7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.331 30.453 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.460 29.415 8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.492 28.548 7.738 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.251 27.043 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.155 28.311 10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.595 27.077 11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.438 25.537 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.061 25.511 10.734 1.00 0.00 H new ATOM 199 N GLY A 11 1.017 27.235 3.632 1.00 0.00 N ATOM 200 CA GLY A 11 1.581 27.184 2.292 1.00 0.00 C ATOM 201 C GLY A 11 1.302 25.868 1.594 1.00 0.00 C ATOM 202 O GLY A 11 0.326 25.185 1.920 1.00 0.00 O ATOM 0 H GLY A 11 1.633 26.880 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.171 28.001 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.658 27.340 2.349 1.00 0.00 H new ATOM 206 N LYS A 12 2.178 25.478 0.670 1.00 0.00 N ATOM 207 CA LYS A 12 1.905 24.342 -0.193 1.00 0.00 C ATOM 208 C LYS A 12 3.192 23.633 -0.579 1.00 0.00 C ATOM 209 O LYS A 12 3.261 22.964 -1.611 1.00 0.00 O ATOM 210 CB LYS A 12 1.140 24.775 -1.455 1.00 0.00 C ATOM 211 CG LYS A 12 1.778 25.934 -2.210 1.00 0.00 C ATOM 212 CD LYS A 12 1.134 27.267 -1.853 1.00 0.00 C ATOM 213 CE LYS A 12 -0.313 27.331 -2.316 1.00 0.00 C ATOM 214 NZ LYS A 12 -0.945 28.643 -2.016 1.00 0.00 N ATOM 0 H LYS A 12 3.076 25.932 0.504 1.00 0.00 H new ATOM 0 HA LYS A 12 1.279 23.647 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.058 23.921 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.126 25.056 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.843 25.973 -1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.687 25.763 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.178 27.416 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.699 28.079 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.357 27.146 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.882 26.537 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.930 28.638 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.928 28.810 -0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.419 29.400 -2.498 1.00 0.00 H new ATOM 228 N ARG A 13 4.218 23.793 0.239 1.00 0.00 N ATOM 229 CA ARG A 13 5.419 23.005 0.083 1.00 0.00 C ATOM 230 C ARG A 13 5.087 21.572 0.469 1.00 0.00 C ATOM 231 O ARG A 13 4.386 21.346 1.450 1.00 0.00 O ATOM 232 CB ARG A 13 6.539 23.543 0.966 1.00 0.00 C ATOM 233 CG ARG A 13 6.954 24.976 0.663 1.00 0.00 C ATOM 234 CD ARG A 13 7.874 25.051 -0.542 1.00 0.00 C ATOM 235 NE ARG A 13 8.328 26.416 -0.806 1.00 0.00 N ATOM 236 CZ ARG A 13 9.599 26.744 -1.026 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.552 25.829 -0.914 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.926 27.990 -1.337 1.00 0.00 N ATOM 0 H ARG A 13 4.240 24.458 1.012 1.00 0.00 H new ATOM 0 HA ARG A 13 5.764 23.053 -0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.223 23.483 2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.410 22.896 0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.066 25.581 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.457 25.401 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.738 24.408 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.353 24.667 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 13 7.630 27.160 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.312 24.871 -0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.525 26.083 -1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.202 28.705 -1.409 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.902 28.235 -1.504 1.00 0.00 H new ATOM 252 N VAL A 14 5.573 20.620 -0.298 1.00 0.00 N ATOM 253 CA VAL A 14 5.152 19.228 -0.148 1.00 0.00 C ATOM 254 C VAL A 14 6.338 18.283 -0.262 1.00 0.00 C ATOM 255 O VAL A 14 6.235 17.178 -0.798 1.00 0.00 O ATOM 256 CB VAL A 14 4.103 18.864 -1.220 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.747 19.442 -0.861 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.538 19.385 -2.579 1.00 0.00 C ATOM 0 H VAL A 14 6.261 20.776 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 14 4.711 19.120 0.843 1.00 0.00 H new ATOM 0 HB VAL A 14 4.021 17.778 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.022 19.174 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.423 19.041 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.820 20.527 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.789 19.122 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.643 20.469 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.495 18.939 -2.851 1.00 0.00 H new ATOM 268 N THR A 15 7.471 18.737 0.227 1.00 0.00 N ATOM 269 CA THR A 15 8.709 18.032 0.100 1.00 0.00 C ATOM 270 C THR A 15 9.591 18.395 1.288 1.00 0.00 C ATOM 271 O THR A 15 9.642 19.562 1.696 1.00 0.00 O ATOM 272 CB THR A 15 9.381 18.441 -1.208 1.00 0.00 C ATOM 273 OG1 THR A 15 8.395 18.615 -2.237 1.00 0.00 O ATOM 274 CG2 THR A 15 10.345 17.389 -1.641 1.00 0.00 C ATOM 0 H THR A 15 7.550 19.621 0.730 1.00 0.00 H new ATOM 0 HA THR A 15 8.543 16.955 0.087 1.00 0.00 H new ATOM 0 HB THR A 15 9.910 19.379 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.836 18.879 -3.071 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.818 17.692 -2.575 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.108 17.257 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.814 16.449 -1.791 1.00 0.00 H new ATOM 282 N THR A 16 10.264 17.402 1.840 1.00 0.00 N ATOM 283 CA THR A 16 11.024 17.575 3.063 1.00 0.00 C ATOM 284 C THR A 16 12.321 18.336 2.823 1.00 0.00 C ATOM 285 O THR A 16 12.593 18.791 1.709 1.00 0.00 O ATOM 286 CB THR A 16 11.360 16.209 3.680 1.00 0.00 C ATOM 287 OG1 THR A 16 12.084 15.429 2.724 1.00 0.00 O ATOM 288 CG2 THR A 16 10.098 15.467 4.086 1.00 0.00 C ATOM 0 H THR A 16 10.299 16.458 1.455 1.00 0.00 H new ATOM 0 HA THR A 16 10.402 18.154 3.745 1.00 0.00 H new ATOM 0 HB THR A 16 11.964 16.370 4.573 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.390 16.007 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.366 14.504 4.520 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.550 16.056 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.471 15.308 3.209 1.00 0.00 H new ATOM 296 N VAL A 17 13.133 18.446 3.864 1.00 0.00 N ATOM 297 CA VAL A 17 14.435 19.079 3.757 1.00 0.00 C ATOM 298 C VAL A 17 15.371 18.242 2.903 1.00 0.00 C ATOM 299 O VAL A 17 16.381 18.727 2.394 1.00 0.00 O ATOM 300 CB VAL A 17 15.090 19.306 5.128 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.401 20.432 5.884 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.084 18.027 5.952 1.00 0.00 C ATOM 0 H VAL A 17 12.909 18.102 4.798 1.00 0.00 H new ATOM 0 HA VAL A 17 14.266 20.049 3.290 1.00 0.00 H new ATOM 0 HB VAL A 17 16.126 19.597 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.885 20.571 6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.472 21.354 5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.352 20.179 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.553 18.214 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.056 17.698 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.638 17.251 5.424 1.00 0.00 H new ATOM 312 N THR A 18 15.004 16.986 2.737 1.00 0.00 N ATOM 313 CA THR A 18 15.788 16.053 1.959 1.00 0.00 C ATOM 314 C THR A 18 15.285 16.050 0.531 1.00 0.00 C ATOM 315 O THR A 18 15.947 15.556 -0.384 1.00 0.00 O ATOM 316 CB THR A 18 15.651 14.631 2.525 1.00 0.00 C ATOM 317 OG1 THR A 18 14.317 14.153 2.293 1.00 0.00 O ATOM 318 CG2 THR A 18 15.934 14.618 4.018 1.00 0.00 C ATOM 0 H THR A 18 14.155 16.586 3.138 1.00 0.00 H new ATOM 0 HA THR A 18 16.833 16.359 1.999 1.00 0.00 H new ATOM 0 HB THR A 18 16.373 13.986 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.673 14.775 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.832 13.602 4.399 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.949 14.973 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.225 15.270 4.528 1.00 0.00 H new ATOM 326 N GLY A 19 14.102 16.622 0.354 1.00 0.00 N ATOM 327 CA GLY A 19 13.457 16.579 -0.927 1.00 0.00 C ATOM 328 C GLY A 19 12.638 15.319 -1.093 1.00 0.00 C ATOM 329 O GLY A 19 12.274 14.950 -2.210 1.00 0.00 O ATOM 0 H GLY A 19 13.583 17.114 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.812 17.451 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.208 16.633 -1.715 1.00 0.00 H new ATOM 333 N THR A 20 12.367 14.636 0.015 1.00 0.00 N ATOM 334 CA THR A 20 11.396 13.562 0.004 1.00 0.00 C ATOM 335 C THR A 20 9.989 14.145 0.003 1.00 0.00 C ATOM 336 O THR A 20 9.649 14.940 0.875 1.00 0.00 O ATOM 337 CB THR A 20 11.560 12.631 1.215 1.00 0.00 C ATOM 338 OG1 THR A 20 12.849 12.003 1.186 1.00 0.00 O ATOM 339 CG2 THR A 20 10.473 11.571 1.216 1.00 0.00 C ATOM 0 H THR A 20 12.804 14.809 0.920 1.00 0.00 H new ATOM 0 HA THR A 20 11.562 12.974 -0.898 1.00 0.00 H new ATOM 0 HB THR A 20 11.474 13.227 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.521 12.619 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.602 10.919 2.080 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.496 12.052 1.267 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.540 10.981 0.302 1.00 0.00 H new ATOM 347 N PRO A 21 9.168 13.807 -0.998 1.00 0.00 N ATOM 348 CA PRO A 21 7.765 14.222 -1.033 1.00 0.00 C ATOM 349 C PRO A 21 7.023 13.889 0.250 1.00 0.00 C ATOM 350 O PRO A 21 7.013 12.735 0.689 1.00 0.00 O ATOM 351 CB PRO A 21 7.196 13.388 -2.163 1.00 0.00 C ATOM 352 CG PRO A 21 8.338 13.205 -3.089 1.00 0.00 C ATOM 353 CD PRO A 21 9.538 13.027 -2.196 1.00 0.00 C ATOM 0 HA PRO A 21 7.668 15.300 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.819 12.431 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.364 13.894 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.191 12.336 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.458 14.068 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.714 11.978 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.448 13.405 -2.661 1.00 0.00 H new ATOM 361 N CYS A 22 6.416 14.893 0.853 1.00 0.00 N ATOM 362 CA CYS A 22 5.560 14.662 2.007 1.00 0.00 C ATOM 363 C CYS A 22 4.360 13.806 1.623 1.00 0.00 C ATOM 364 O CYS A 22 3.815 13.923 0.526 1.00 0.00 O ATOM 365 CB CYS A 22 5.091 15.982 2.608 1.00 0.00 C ATOM 366 SG CYS A 22 6.460 17.038 3.153 1.00 0.00 S ATOM 0 H CYS A 22 6.496 15.869 0.568 1.00 0.00 H new ATOM 0 HA CYS A 22 6.144 14.129 2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.496 16.520 1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.438 15.777 3.456 1.00 0.00 H new ATOM 371 N GLN A 23 3.998 12.926 2.532 1.00 0.00 N ATOM 372 CA GLN A 23 2.835 12.075 2.398 1.00 0.00 C ATOM 373 C GLN A 23 1.592 12.884 2.638 1.00 0.00 C ATOM 374 O GLN A 23 1.654 13.969 3.218 1.00 0.00 O ATOM 375 CB GLN A 23 2.883 10.992 3.457 1.00 0.00 C ATOM 376 CG GLN A 23 1.902 9.857 3.260 1.00 0.00 C ATOM 377 CD GLN A 23 2.046 8.841 4.357 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.881 7.966 4.266 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.186 8.903 5.359 1.00 0.00 N ATOM 0 H GLN A 23 4.513 12.779 3.400 1.00 0.00 H new ATOM 0 HA GLN A 23 2.827 11.642 1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.891 10.579 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.697 11.448 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.884 10.246 3.248 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.074 9.384 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.500 9.657 5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.209 8.197 6.095 1.00 0.00 H new ATOM 388 N ASP A 24 0.466 12.326 2.261 1.00 0.00 N ATOM 389 CA ASP A 24 -0.787 12.966 2.518 1.00 0.00 C ATOM 390 C ASP A 24 -1.077 12.759 3.978 1.00 0.00 C ATOM 391 O ASP A 24 -1.048 11.627 4.469 1.00 0.00 O ATOM 392 CB ASP A 24 -1.915 12.375 1.661 1.00 0.00 C ATOM 393 CG ASP A 24 -1.818 12.756 0.194 1.00 0.00 C ATOM 394 OD1 ASP A 24 -1.048 12.109 -0.542 1.00 0.00 O ATOM 395 OD2 ASP A 24 -2.529 13.694 -0.232 1.00 0.00 O ATOM 0 H ASP A 24 0.399 11.431 1.776 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.731 14.024 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.898 11.289 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.875 12.711 2.054 1.00 0.00 H new ATOM 400 N TRP A 25 -1.296 13.848 4.680 1.00 0.00 N ATOM 401 CA TRP A 25 -1.672 13.786 6.079 1.00 0.00 C ATOM 402 C TRP A 25 -2.901 12.909 6.209 1.00 0.00 C ATOM 403 O TRP A 25 -3.120 12.250 7.219 1.00 0.00 O ATOM 404 CB TRP A 25 -1.971 15.185 6.604 1.00 0.00 C ATOM 405 CG TRP A 25 -0.901 16.181 6.289 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.800 16.933 5.163 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.215 16.538 7.109 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.310 17.726 5.231 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.946 17.511 6.420 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.659 16.131 8.357 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.102 18.087 6.946 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.800 16.696 8.887 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.513 17.667 8.183 1.00 0.00 C ATOM 0 H TRP A 25 -1.220 14.793 4.305 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.853 13.368 6.664 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.914 15.530 6.180 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.106 15.138 7.685 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.494 16.908 4.336 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.616 18.377 4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.116 15.378 8.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.653 18.837 6.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.147 16.382 9.861 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.403 18.094 8.621 1.00 0.00 H new ATOM 424 N ALA A 26 -3.690 12.923 5.151 1.00 0.00 N ATOM 425 CA ALA A 26 -4.880 12.097 5.051 1.00 0.00 C ATOM 426 C ALA A 26 -4.574 10.626 4.726 1.00 0.00 C ATOM 427 O ALA A 26 -5.430 9.769 4.937 1.00 0.00 O ATOM 428 CB ALA A 26 -5.820 12.671 4.005 1.00 0.00 C ATOM 0 H ALA A 26 -3.523 13.510 4.333 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.352 12.109 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.711 12.047 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.108 13.683 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.317 12.696 3.038 1.00 0.00 H new ATOM 434 N ALA A 27 -3.374 10.306 4.220 1.00 0.00 N ATOM 435 CA ALA A 27 -3.105 8.957 3.778 1.00 0.00 C ATOM 436 C ALA A 27 -2.262 8.253 4.809 1.00 0.00 C ATOM 437 O ALA A 27 -1.505 8.887 5.515 1.00 0.00 O ATOM 438 CB ALA A 27 -2.404 8.965 2.428 1.00 0.00 C ATOM 0 H ALA A 27 -2.597 10.958 4.113 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.048 8.424 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.210 7.940 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.039 9.457 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.460 9.504 2.511 1.00 0.00 H new ATOM 444 N GLN A 28 -2.390 6.954 4.885 1.00 0.00 N ATOM 445 CA GLN A 28 -1.631 6.143 5.809 1.00 0.00 C ATOM 446 C GLN A 28 -0.555 5.485 4.995 1.00 0.00 C ATOM 447 O GLN A 28 -0.138 4.359 5.261 1.00 0.00 O ATOM 448 CB GLN A 28 -2.525 5.060 6.425 1.00 0.00 C ATOM 449 CG GLN A 28 -3.796 5.586 7.062 1.00 0.00 C ATOM 450 CD GLN A 28 -3.501 6.554 8.175 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.325 6.154 9.320 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.437 7.831 7.850 1.00 0.00 N ATOM 0 H GLN A 28 -3.032 6.420 4.300 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.224 6.749 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.792 4.342 5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.953 4.518 7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.406 6.078 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.381 4.752 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.590 8.120 6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.234 8.530 8.565 1.00 0.00 H new ATOM 461 N GLU A 29 -0.115 6.203 3.984 1.00 0.00 N ATOM 462 CA GLU A 29 0.493 5.557 2.864 1.00 0.00 C ATOM 463 C GLU A 29 1.647 6.327 2.255 1.00 0.00 C ATOM 464 O GLU A 29 1.458 7.416 1.717 1.00 0.00 O ATOM 465 CB GLU A 29 -0.595 5.344 1.827 1.00 0.00 C ATOM 466 CG GLU A 29 -1.585 4.253 2.188 1.00 0.00 C ATOM 467 CD GLU A 29 -2.624 4.033 1.111 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.246 3.864 -0.066 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.829 4.043 1.434 1.00 0.00 O ATOM 0 H GLU A 29 -0.170 7.220 3.923 1.00 0.00 H new ATOM 0 HA GLU A 29 0.928 4.619 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.136 6.279 1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.130 5.097 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.046 3.322 2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.084 4.514 3.121 1.00 0.00 H new ATOM 476 N PRO A 30 2.859 5.738 2.276 1.00 0.00 N ATOM 477 CA PRO A 30 3.100 4.400 2.827 1.00 0.00 C ATOM 478 C PRO A 30 3.445 4.412 4.319 1.00 0.00 C ATOM 479 O PRO A 30 4.206 3.574 4.800 1.00 0.00 O ATOM 480 CB PRO A 30 4.300 3.935 2.010 1.00 0.00 C ATOM 481 CG PRO A 30 5.082 5.181 1.756 1.00 0.00 C ATOM 482 CD PRO A 30 4.090 6.320 1.723 1.00 0.00 C ATOM 0 HA PRO A 30 2.219 3.761 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.891 3.199 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.988 3.465 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.824 5.338 2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.623 5.112 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.434 7.166 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.937 6.686 0.708 1.00 0.00 H new ATOM 490 N HIS A 31 2.901 5.377 5.039 1.00 0.00 N ATOM 491 CA HIS A 31 3.139 5.508 6.467 1.00 0.00 C ATOM 492 C HIS A 31 1.814 5.673 7.170 1.00 0.00 C ATOM 493 O HIS A 31 1.118 6.685 7.002 1.00 0.00 O ATOM 494 CB HIS A 31 4.062 6.695 6.772 1.00 0.00 C ATOM 495 CG HIS A 31 5.418 6.555 6.160 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.640 6.696 4.816 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.619 6.259 6.708 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.912 6.486 4.557 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.536 6.223 5.686 1.00 0.00 N ATOM 0 H HIS A 31 2.283 6.091 4.652 1.00 0.00 H new ATOM 0 HA HIS A 31 3.638 4.609 6.827 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.598 7.611 6.407 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.166 6.798 7.852 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.819 6.084 7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.369 6.523 3.579 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.532 6.026 5.785 1.00 0.00 H new ATOM 508 N ARG A 32 1.439 4.659 7.917 1.00 0.00 N ATOM 509 CA ARG A 32 0.162 4.656 8.583 1.00 0.00 C ATOM 510 C ARG A 32 0.205 5.603 9.780 1.00 0.00 C ATOM 511 O ARG A 32 1.031 5.461 10.680 1.00 0.00 O ATOM 512 CB ARG A 32 -0.245 3.215 8.978 1.00 0.00 C ATOM 513 CG ARG A 32 0.436 2.616 10.217 1.00 0.00 C ATOM 514 CD ARG A 32 1.961 2.704 10.190 1.00 0.00 C ATOM 515 NE ARG A 32 2.564 2.156 8.973 1.00 0.00 N ATOM 516 CZ ARG A 32 3.881 2.106 8.767 1.00 0.00 C ATOM 517 NH1 ARG A 32 4.722 2.470 9.733 1.00 0.00 N ATOM 518 NH2 ARG A 32 4.359 1.666 7.610 1.00 0.00 N ATOM 0 H ARG A 32 2.004 3.825 8.077 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.608 5.020 7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.322 3.200 9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.043 2.561 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.068 3.130 11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.144 1.570 10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.257 3.748 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.361 2.173 11.053 1.00 0.00 H new ATOM 0 HE ARG A 32 1.946 1.794 8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.359 2.788 10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.729 2.431 9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.719 1.365 6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.367 1.629 7.455 1.00 0.00 H new ATOM 532 N HIS A 33 -0.645 6.611 9.756 1.00 0.00 N ATOM 533 CA HIS A 33 -0.658 7.609 10.815 1.00 0.00 C ATOM 534 C HIS A 33 -2.057 8.207 10.962 1.00 0.00 C ATOM 535 O HIS A 33 -2.485 9.071 10.195 1.00 0.00 O ATOM 536 CB HIS A 33 0.380 8.712 10.547 1.00 0.00 C ATOM 537 CG HIS A 33 0.046 9.556 9.365 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.137 10.905 9.433 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.213 9.214 8.106 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.499 11.369 8.266 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.548 10.363 7.430 1.00 0.00 N ATOM 0 H HIS A 33 -1.334 6.763 9.019 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.389 7.118 11.751 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.461 9.348 11.429 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.357 8.253 10.394 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.168 8.218 7.691 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.719 12.400 8.033 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.794 10.422 6.442 1.00 0.00 H new ATOM 550 N SER A 34 -2.779 7.714 11.928 1.00 0.00 N ATOM 551 CA SER A 34 -4.090 8.253 12.249 1.00 0.00 C ATOM 552 C SER A 34 -3.932 9.494 13.136 1.00 0.00 C ATOM 553 O SER A 34 -4.778 9.793 13.983 1.00 0.00 O ATOM 554 CB SER A 34 -4.947 7.186 12.941 1.00 0.00 C ATOM 555 OG SER A 34 -6.326 7.494 12.847 1.00 0.00 O ATOM 0 H SER A 34 -2.488 6.934 12.517 1.00 0.00 H new ATOM 0 HA SER A 34 -4.597 8.546 11.330 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.758 6.213 12.487 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.660 7.110 13.990 1.00 0.00 H new ATOM 0 HG SER A 34 -6.479 8.409 13.164 1.00 0.00 H new ATOM 561 N ILE A 35 -2.836 10.214 12.912 1.00 0.00 N ATOM 562 CA ILE A 35 -2.482 11.385 13.675 1.00 0.00 C ATOM 563 C ILE A 35 -1.898 12.405 12.724 1.00 0.00 C ATOM 564 O ILE A 35 -1.311 12.033 11.700 1.00 0.00 O ATOM 565 CB ILE A 35 -1.458 11.075 14.790 1.00 0.00 C ATOM 566 CG1 ILE A 35 -0.228 10.385 14.195 1.00 0.00 C ATOM 567 CG2 ILE A 35 -2.087 10.222 15.883 1.00 0.00 C ATOM 568 CD1 ILE A 35 0.856 10.090 15.208 1.00 0.00 C ATOM 0 H ILE A 35 -2.163 9.987 12.179 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.380 11.763 14.163 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.143 12.014 15.245 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.538 9.451 13.726 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.185 11.015 13.408 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.346 10.017 16.656 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.931 10.756 16.321 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.435 9.282 15.456 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.694 9.601 14.712 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.195 11.022 15.660 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.461 9.434 15.983 1.00 0.00 H new ATOM 580 N PHE A 36 -2.046 13.671 13.066 1.00 0.00 N ATOM 581 CA PHE A 36 -1.671 14.759 12.197 1.00 0.00 C ATOM 582 C PHE A 36 -2.275 14.585 10.813 1.00 0.00 C ATOM 583 O PHE A 36 -1.602 14.687 9.791 1.00 0.00 O ATOM 584 CB PHE A 36 -0.156 14.914 12.150 1.00 0.00 C ATOM 585 CG PHE A 36 0.466 14.940 13.521 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.329 16.053 14.332 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.171 13.850 14.001 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.890 16.080 15.594 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.733 13.871 15.263 1.00 0.00 C ATOM 590 CZ PHE A 36 1.592 14.988 16.058 1.00 0.00 C ATOM 0 H PHE A 36 -2.433 13.970 13.961 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.077 15.684 12.606 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.272 14.092 11.576 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.095 15.835 11.624 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.223 16.910 13.974 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.283 12.972 13.382 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.779 16.956 16.216 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.281 13.014 15.626 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.031 15.008 17.044 1.00 0.00 H new ATOM 600 N THR A 37 -3.552 14.276 10.816 1.00 0.00 N ATOM 601 CA THR A 37 -4.355 14.250 9.616 1.00 0.00 C ATOM 602 C THR A 37 -5.151 15.548 9.522 1.00 0.00 C ATOM 603 O THR A 37 -5.178 16.332 10.475 1.00 0.00 O ATOM 604 CB THR A 37 -5.356 13.076 9.639 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.381 13.344 10.606 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.664 11.762 9.980 1.00 0.00 C ATOM 0 H THR A 37 -4.067 14.033 11.662 1.00 0.00 H new ATOM 0 HA THR A 37 -3.687 14.133 8.763 1.00 0.00 H new ATOM 0 HB THR A 37 -5.793 12.980 8.645 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.972 13.489 11.485 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.398 10.956 9.988 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.899 11.549 9.233 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.200 11.840 10.963 1.00 0.00 H new ATOM 614 N PRO A 38 -5.818 15.794 8.392 1.00 0.00 N ATOM 615 CA PRO A 38 -6.750 16.914 8.267 1.00 0.00 C ATOM 616 C PRO A 38 -7.893 16.829 9.275 1.00 0.00 C ATOM 617 O PRO A 38 -8.519 17.840 9.602 1.00 0.00 O ATOM 618 CB PRO A 38 -7.309 16.763 6.856 1.00 0.00 C ATOM 619 CG PRO A 38 -6.299 15.953 6.119 1.00 0.00 C ATOM 620 CD PRO A 38 -5.690 15.036 7.137 1.00 0.00 C ATOM 0 HA PRO A 38 -6.255 17.867 8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.279 16.266 6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.454 17.735 6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.765 15.387 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.541 16.592 5.665 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.217 14.083 7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.648 14.813 6.906 1.00 0.00 H new ATOM 628 N GLU A 39 -8.142 15.622 9.780 1.00 0.00 N ATOM 629 CA GLU A 39 -9.322 15.361 10.588 1.00 0.00 C ATOM 630 C GLU A 39 -8.984 15.314 12.072 1.00 0.00 C ATOM 631 O GLU A 39 -9.860 15.476 12.922 1.00 0.00 O ATOM 632 CB GLU A 39 -9.962 14.050 10.139 1.00 0.00 C ATOM 633 CG GLU A 39 -10.457 14.099 8.703 1.00 0.00 C ATOM 634 CD GLU A 39 -10.857 12.744 8.167 1.00 0.00 C ATOM 635 OE1 GLU A 39 -11.729 12.089 8.775 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.296 12.321 7.136 1.00 0.00 O ATOM 0 H GLU A 39 -7.539 14.811 9.641 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.029 16.178 10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.237 13.243 10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.797 13.814 10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.311 14.774 8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.675 14.517 8.069 1.00 0.00 H new ATOM 643 N THR A 40 -7.716 15.102 12.383 1.00 0.00 N ATOM 644 CA THR A 40 -7.278 15.075 13.764 1.00 0.00 C ATOM 645 C THR A 40 -6.714 16.427 14.161 1.00 0.00 C ATOM 646 O THR A 40 -6.600 16.747 15.346 1.00 0.00 O ATOM 647 CB THR A 40 -6.218 13.980 13.999 1.00 0.00 C ATOM 648 OG1 THR A 40 -5.151 14.132 13.058 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.827 12.590 13.866 1.00 0.00 C ATOM 0 H THR A 40 -6.976 14.947 11.699 1.00 0.00 H new ATOM 0 HA THR A 40 -8.146 14.846 14.382 1.00 0.00 H new ATOM 0 HB THR A 40 -5.832 14.089 15.013 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.575 14.876 13.334 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.057 11.838 14.037 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.622 12.469 14.602 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.238 12.467 12.864 1.00 0.00 H new ATOM 657 N ASN A 41 -6.373 17.230 13.158 1.00 0.00 N ATOM 658 CA ASN A 41 -5.770 18.533 13.401 1.00 0.00 C ATOM 659 C ASN A 41 -6.392 19.598 12.508 1.00 0.00 C ATOM 660 O ASN A 41 -5.716 20.197 11.679 1.00 0.00 O ATOM 661 CB ASN A 41 -4.264 18.467 13.155 1.00 0.00 C ATOM 662 CG ASN A 41 -3.575 17.505 14.089 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.526 16.301 13.840 1.00 0.00 O ATOM 664 ND2 ASN A 41 -3.024 18.033 15.161 1.00 0.00 N ATOM 0 H ASN A 41 -6.504 17.001 12.173 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.956 18.804 14.440 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.079 18.165 12.124 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.834 19.461 13.278 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.531 17.438 15.827 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.090 19.037 15.326 1.00 0.00 H new ATOM 671 N PRO A 42 -7.687 19.880 12.693 1.00 0.00 N ATOM 672 CA PRO A 42 -8.417 20.834 11.851 1.00 0.00 C ATOM 673 C PRO A 42 -8.083 22.290 12.181 1.00 0.00 C ATOM 674 O PRO A 42 -8.819 23.207 11.819 1.00 0.00 O ATOM 675 CB PRO A 42 -9.877 20.530 12.177 1.00 0.00 C ATOM 676 CG PRO A 42 -9.856 20.016 13.575 1.00 0.00 C ATOM 677 CD PRO A 42 -8.544 19.298 13.743 1.00 0.00 C ATOM 0 HA PRO A 42 -8.164 20.726 10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.495 21.424 12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.290 19.791 11.490 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.946 20.833 14.291 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.694 19.342 13.754 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.125 19.459 14.736 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.658 18.222 13.615 1.00 0.00 H new ATOM 685 N ARG A 43 -6.965 22.493 12.868 1.00 0.00 N ATOM 686 CA ARG A 43 -6.547 23.817 13.287 1.00 0.00 C ATOM 687 C ARG A 43 -5.317 24.284 12.513 1.00 0.00 C ATOM 688 O ARG A 43 -5.072 25.481 12.393 1.00 0.00 O ATOM 689 CB ARG A 43 -6.239 23.792 14.778 1.00 0.00 C ATOM 690 CG ARG A 43 -5.145 22.804 15.132 1.00 0.00 C ATOM 691 CD ARG A 43 -5.096 22.543 16.619 1.00 0.00 C ATOM 692 NE ARG A 43 -4.016 21.626 16.977 1.00 0.00 N ATOM 693 CZ ARG A 43 -4.199 20.483 17.638 1.00 0.00 C ATOM 694 NH1 ARG A 43 -5.417 20.127 18.032 1.00 0.00 N ATOM 695 NH2 ARG A 43 -3.162 19.702 17.914 1.00 0.00 N ATOM 0 H ARG A 43 -6.329 21.746 13.147 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.356 24.518 13.081 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.940 24.790 15.100 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.145 23.537 15.328 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.314 21.867 14.602 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.182 23.190 14.797 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.962 23.486 17.149 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.049 22.127 16.946 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.065 21.875 16.705 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.215 20.729 17.829 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.554 19.252 18.538 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.225 19.976 17.620 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.303 18.827 18.420 1.00 0.00 H new ATOM 709 N ALA A 44 -4.539 23.342 11.980 1.00 0.00 N ATOM 710 CA ALA A 44 -3.309 23.700 11.296 1.00 0.00 C ATOM 711 C ALA A 44 -3.503 23.645 9.791 1.00 0.00 C ATOM 712 O ALA A 44 -2.554 23.765 9.019 1.00 0.00 O ATOM 713 CB ALA A 44 -2.162 22.803 11.736 1.00 0.00 C ATOM 0 H ALA A 44 -4.739 22.342 12.010 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.050 24.724 11.567 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.252 23.091 11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.009 22.909 12.810 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.402 21.765 11.504 1.00 0.00 H new ATOM 719 N GLY A 45 -4.748 23.438 9.392 1.00 0.00 N ATOM 720 CA GLY A 45 -5.113 23.501 7.992 1.00 0.00 C ATOM 721 C GLY A 45 -4.421 22.449 7.160 1.00 0.00 C ATOM 722 O GLY A 45 -3.950 22.732 6.060 1.00 0.00 O ATOM 0 H GLY A 45 -5.522 23.225 10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.192 23.381 7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.866 24.488 7.601 1.00 0.00 H new ATOM 726 N LEU A 46 -4.360 21.237 7.686 1.00 0.00 N ATOM 727 CA LEU A 46 -3.701 20.147 6.996 1.00 0.00 C ATOM 728 C LEU A 46 -4.567 19.656 5.853 1.00 0.00 C ATOM 729 O LEU A 46 -5.639 19.100 6.074 1.00 0.00 O ATOM 730 CB LEU A 46 -3.397 18.985 7.951 1.00 0.00 C ATOM 731 CG LEU A 46 -2.447 19.317 9.109 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.184 19.970 10.253 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.733 18.075 9.599 1.00 0.00 C ATOM 0 H LEU A 46 -4.760 20.986 8.590 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.756 20.522 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.337 18.623 8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.967 18.166 7.374 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.706 20.020 8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.483 20.193 11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.646 20.895 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.956 19.295 10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.066 18.339 10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.466 17.347 9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.152 17.644 8.784 1.00 0.00 H new ATOM 745 N GLU A 47 -4.125 19.913 4.637 1.00 0.00 N ATOM 746 CA GLU A 47 -4.765 19.372 3.467 1.00 0.00 C ATOM 747 C GLU A 47 -3.734 18.695 2.584 1.00 0.00 C ATOM 748 O GLU A 47 -2.569 19.092 2.566 1.00 0.00 O ATOM 749 CB GLU A 47 -5.500 20.459 2.690 1.00 0.00 C ATOM 750 CG GLU A 47 -4.789 21.804 2.635 1.00 0.00 C ATOM 751 CD GLU A 47 -5.609 22.851 1.905 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.687 22.791 0.659 1.00 0.00 O ATOM 753 OE2 GLU A 47 -6.204 23.722 2.578 1.00 0.00 O ATOM 0 H GLU A 47 -3.315 20.501 4.439 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.502 18.635 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.662 20.109 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.483 20.603 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.583 22.147 3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.827 21.685 2.137 1.00 0.00 H new ATOM 760 N LYS A 48 -4.174 17.665 1.872 1.00 0.00 N ATOM 761 CA LYS A 48 -3.313 16.898 0.983 1.00 0.00 C ATOM 762 C LYS A 48 -2.023 16.466 1.670 1.00 0.00 C ATOM 763 O LYS A 48 -2.046 15.648 2.587 1.00 0.00 O ATOM 764 CB LYS A 48 -3.001 17.684 -0.291 1.00 0.00 C ATOM 765 CG LYS A 48 -4.140 17.715 -1.306 1.00 0.00 C ATOM 766 CD LYS A 48 -4.390 16.337 -1.916 1.00 0.00 C ATOM 767 CE LYS A 48 -5.199 15.438 -0.990 1.00 0.00 C ATOM 768 NZ LYS A 48 -5.032 14.000 -1.320 1.00 0.00 N ATOM 0 H LYS A 48 -5.140 17.338 1.895 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.860 15.995 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.745 18.708 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.120 17.251 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.050 18.069 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.903 18.426 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.918 16.451 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.435 15.861 -2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.892 15.611 0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.254 15.705 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.745 13.441 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.153 13.862 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.081 13.687 -1.039 1.00 0.00 H new ATOM 782 N ASN A 49 -0.909 17.042 1.244 1.00 0.00 N ATOM 783 CA ASN A 49 0.389 16.694 1.788 1.00 0.00 C ATOM 784 C ASN A 49 1.238 17.940 1.958 1.00 0.00 C ATOM 785 O ASN A 49 2.459 17.864 2.093 1.00 0.00 O ATOM 786 CB ASN A 49 1.099 15.678 0.889 1.00 0.00 C ATOM 787 CG ASN A 49 1.418 16.189 -0.502 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.682 16.995 -1.073 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.516 15.704 -1.062 1.00 0.00 N ATOM 0 H ASN A 49 -0.882 17.758 0.518 1.00 0.00 H new ATOM 0 HA ASN A 49 0.242 16.236 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.027 15.370 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.474 14.789 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.781 15.997 -2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.097 15.038 -0.553 1.00 0.00 H new ATOM 796 N TYR A 50 0.575 19.093 1.959 1.00 0.00 N ATOM 797 CA TYR A 50 1.268 20.365 2.137 1.00 0.00 C ATOM 798 C TYR A 50 1.824 20.435 3.552 1.00 0.00 C ATOM 799 O TYR A 50 1.078 20.258 4.510 1.00 0.00 O ATOM 800 CB TYR A 50 0.322 21.545 1.907 1.00 0.00 C ATOM 801 CG TYR A 50 -0.507 21.449 0.644 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.075 21.555 -0.612 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.879 21.260 0.714 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.689 21.475 -1.762 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.649 21.181 -0.426 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.052 21.289 -1.661 1.00 0.00 C ATOM 807 OH TYR A 50 -2.826 21.221 -2.795 1.00 0.00 O ATOM 0 H TYR A 50 -0.435 19.173 1.839 1.00 0.00 H new ATOM 0 HA TYR A 50 2.076 20.425 1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.349 21.628 2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.909 22.463 1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.142 21.702 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.353 21.173 1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.222 21.558 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.716 21.035 -0.350 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.764 21.086 -2.544 1.00 0.00 H new ATOM 817 N CYS A 51 3.121 20.700 3.670 1.00 0.00 N ATOM 818 CA CYS A 51 3.810 20.679 4.956 1.00 0.00 C ATOM 819 C CYS A 51 3.094 21.529 5.990 1.00 0.00 C ATOM 820 O CYS A 51 2.426 22.505 5.644 1.00 0.00 O ATOM 821 CB CYS A 51 5.233 21.187 4.786 1.00 0.00 C ATOM 822 SG CYS A 51 6.252 20.174 3.684 1.00 0.00 S ATOM 0 H CYS A 51 3.722 20.935 2.880 1.00 0.00 H new ATOM 0 HA CYS A 51 3.819 19.648 5.310 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.200 22.205 4.399 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.710 21.233 5.765 1.00 0.00 H new ATOM 827 N ARG A 52 3.258 21.173 7.254 1.00 0.00 N ATOM 828 CA ARG A 52 2.573 21.852 8.344 1.00 0.00 C ATOM 829 C ARG A 52 3.357 21.710 9.626 1.00 0.00 C ATOM 830 O ARG A 52 4.333 20.966 9.682 1.00 0.00 O ATOM 831 CB ARG A 52 1.160 21.288 8.546 1.00 0.00 C ATOM 832 CG ARG A 52 0.153 21.824 7.552 1.00 0.00 C ATOM 833 CD ARG A 52 0.272 23.333 7.452 1.00 0.00 C ATOM 834 NE ARG A 52 -0.832 23.941 6.732 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.875 24.097 5.402 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.152 23.719 4.649 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.942 24.636 4.822 1.00 0.00 N ATOM 0 H ARG A 52 3.866 20.410 7.553 1.00 0.00 H new ATOM 0 HA ARG A 52 2.494 22.907 8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.195 20.201 8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.824 21.523 9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.320 21.373 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.856 21.551 7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.321 23.756 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.208 23.586 6.953 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.629 24.272 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.978 23.308 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.114 23.840 3.637 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.735 24.934 5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.968 24.752 3.809 1.00 0.00 H new ATOM 851 N ASN A 53 2.952 22.434 10.652 1.00 0.00 N ATOM 852 CA ASN A 53 3.532 22.219 11.964 1.00 0.00 C ATOM 853 C ASN A 53 2.438 22.138 13.023 1.00 0.00 C ATOM 854 O ASN A 53 2.207 23.097 13.759 1.00 0.00 O ATOM 855 CB ASN A 53 4.537 23.319 12.322 1.00 0.00 C ATOM 856 CG ASN A 53 5.604 22.808 13.264 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.435 21.763 13.893 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.692 23.553 13.394 1.00 0.00 N ATOM 0 H ASN A 53 2.239 23.162 10.606 1.00 0.00 H new ATOM 0 HA ASN A 53 4.070 21.271 11.936 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.004 23.697 11.412 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.013 24.156 12.783 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.432 23.268 14.036 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.790 24.412 12.852 1.00 0.00 H new ATOM 865 N PRO A 54 1.739 20.987 13.106 1.00 0.00 N ATOM 866 CA PRO A 54 0.683 20.770 14.099 1.00 0.00 C ATOM 867 C PRO A 54 1.202 20.861 15.529 1.00 0.00 C ATOM 868 O PRO A 54 0.499 21.326 16.423 1.00 0.00 O ATOM 869 CB PRO A 54 0.175 19.355 13.813 1.00 0.00 C ATOM 870 CG PRO A 54 0.632 19.040 12.434 1.00 0.00 C ATOM 871 CD PRO A 54 1.908 19.813 12.233 1.00 0.00 C ATOM 0 HA PRO A 54 -0.092 21.532 14.020 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.577 18.641 14.532 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.911 19.306 13.887 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.801 17.970 12.314 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.119 19.329 11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.782 19.226 12.515 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.042 20.103 11.191 1.00 0.00 H new ATOM 879 N ASP A 55 2.442 20.438 15.733 1.00 0.00 N ATOM 880 CA ASP A 55 3.042 20.462 17.058 1.00 0.00 C ATOM 881 C ASP A 55 3.762 21.775 17.287 1.00 0.00 C ATOM 882 O ASP A 55 4.086 22.143 18.418 1.00 0.00 O ATOM 883 CB ASP A 55 4.027 19.305 17.243 1.00 0.00 C ATOM 884 CG ASP A 55 3.358 17.993 17.601 1.00 0.00 C ATOM 885 OD1 ASP A 55 2.125 17.974 17.794 1.00 0.00 O ATOM 886 OD2 ASP A 55 4.078 16.974 17.707 1.00 0.00 O ATOM 0 H ASP A 55 3.050 20.075 14.999 1.00 0.00 H new ATOM 0 HA ASP A 55 2.238 20.354 17.786 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.598 19.174 16.324 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.739 19.566 18.026 1.00 0.00 H new ATOM 891 N GLY A 56 3.999 22.475 16.184 1.00 0.00 N ATOM 892 CA GLY A 56 4.764 23.697 16.209 1.00 0.00 C ATOM 893 C GLY A 56 6.156 23.461 16.725 1.00 0.00 C ATOM 894 O GLY A 56 6.626 24.170 17.613 1.00 0.00 O ATOM 0 H GLY A 56 3.665 22.207 15.258 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.813 24.118 15.205 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.260 24.431 16.838 1.00 0.00 H new ATOM 898 N ASP A 57 6.794 22.437 16.163 1.00 0.00 N ATOM 899 CA ASP A 57 8.181 22.120 16.458 1.00 0.00 C ATOM 900 C ASP A 57 9.004 23.384 16.355 1.00 0.00 C ATOM 901 O ASP A 57 8.924 24.080 15.337 1.00 0.00 O ATOM 902 CB ASP A 57 8.727 21.109 15.446 1.00 0.00 C ATOM 903 CG ASP A 57 9.823 20.228 16.013 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.745 20.753 16.668 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.766 18.994 15.806 1.00 0.00 O ATOM 0 H ASP A 57 6.360 21.806 15.490 1.00 0.00 H new ATOM 0 HA ASP A 57 8.239 21.696 17.461 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.910 20.480 15.094 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.113 21.645 14.579 1.00 0.00 H new ATOM 910 N VAL A 58 9.793 23.672 17.382 1.00 0.00 N ATOM 911 CA VAL A 58 10.602 24.886 17.415 1.00 0.00 C ATOM 912 C VAL A 58 11.821 24.738 16.499 1.00 0.00 C ATOM 913 O VAL A 58 12.898 25.279 16.751 1.00 0.00 O ATOM 914 CB VAL A 58 11.052 25.225 18.855 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.563 26.655 18.944 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.913 25.000 19.839 1.00 0.00 C ATOM 0 H VAL A 58 9.891 23.080 18.207 1.00 0.00 H new ATOM 0 HA VAL A 58 9.985 25.709 17.055 1.00 0.00 H new ATOM 0 HB VAL A 58 11.872 24.557 19.119 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.873 26.868 19.967 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.413 26.780 18.274 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.769 27.344 18.655 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.249 25.244 20.847 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.071 25.639 19.573 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.602 23.956 19.803 1.00 0.00 H new ATOM 926 N GLY A 59 11.638 23.975 15.441 1.00 0.00 N ATOM 927 CA GLY A 59 12.653 23.817 14.445 1.00 0.00 C ATOM 928 C GLY A 59 12.118 24.163 13.078 1.00 0.00 C ATOM 929 O GLY A 59 12.886 24.351 12.135 1.00 0.00 O ATOM 0 H GLY A 59 10.781 23.453 15.257 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.503 24.457 14.681 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.017 22.789 14.449 1.00 0.00 H new ATOM 933 N GLY A 60 10.791 24.251 12.968 1.00 0.00 N ATOM 934 CA GLY A 60 10.186 24.571 11.697 1.00 0.00 C ATOM 935 C GLY A 60 9.163 23.531 11.319 1.00 0.00 C ATOM 936 O GLY A 60 8.960 22.572 12.065 1.00 0.00 O ATOM 0 H GLY A 60 10.134 24.106 13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.713 25.552 11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.955 24.629 10.927 1.00 0.00 H new ATOM 940 N PRO A 61 8.515 23.673 10.161 1.00 0.00 N ATOM 941 CA PRO A 61 7.432 22.792 9.764 1.00 0.00 C ATOM 942 C PRO A 61 7.947 21.450 9.290 1.00 0.00 C ATOM 943 O PRO A 61 9.116 21.306 8.913 1.00 0.00 O ATOM 944 CB PRO A 61 6.764 23.546 8.626 1.00 0.00 C ATOM 945 CG PRO A 61 7.870 24.315 8.012 1.00 0.00 C ATOM 946 CD PRO A 61 8.808 24.679 9.133 1.00 0.00 C ATOM 0 HA PRO A 61 6.756 22.566 10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.305 22.864 7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.975 24.203 8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.382 23.722 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.493 25.209 7.515 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.850 24.637 8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.626 25.690 9.497 1.00 0.00 H new ATOM 954 N TRP A 62 7.063 20.483 9.285 1.00 0.00 N ATOM 955 CA TRP A 62 7.421 19.122 9.003 1.00 0.00 C ATOM 956 C TRP A 62 6.289 18.454 8.258 1.00 0.00 C ATOM 957 O TRP A 62 5.318 19.104 7.861 1.00 0.00 O ATOM 958 CB TRP A 62 7.704 18.380 10.314 1.00 0.00 C ATOM 959 CG TRP A 62 6.544 18.401 11.260 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.140 19.449 12.018 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.639 17.334 11.543 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.032 19.101 12.753 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.710 17.808 12.483 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.526 16.029 11.093 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.680 17.022 12.980 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.503 15.246 11.585 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.592 15.744 12.521 1.00 0.00 C ATOM 0 H TRP A 62 6.071 20.622 9.478 1.00 0.00 H new ATOM 0 HA TRP A 62 8.319 19.098 8.386 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.965 17.346 10.091 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.570 18.829 10.800 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.619 20.417 12.041 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.532 19.714 13.397 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.225 15.633 10.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.976 17.409 13.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.404 14.227 11.240 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.804 15.103 12.887 1.00 0.00 H new ATOM 978 N CYS A 63 6.426 17.172 8.063 1.00 0.00 N ATOM 979 CA CYS A 63 5.417 16.380 7.412 1.00 0.00 C ATOM 980 C CYS A 63 5.747 14.921 7.611 1.00 0.00 C ATOM 981 O CYS A 63 6.731 14.592 8.263 1.00 0.00 O ATOM 982 CB CYS A 63 5.357 16.716 5.923 1.00 0.00 C ATOM 983 SG CYS A 63 6.872 16.310 4.995 1.00 0.00 S ATOM 0 H CYS A 63 7.248 16.642 8.353 1.00 0.00 H new ATOM 0 HA CYS A 63 4.441 16.598 7.845 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.518 16.182 5.476 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.152 17.781 5.812 1.00 0.00 H new ATOM 988 N TYR A 64 4.931 14.055 7.057 1.00 0.00 N ATOM 989 CA TYR A 64 5.254 12.648 7.008 1.00 0.00 C ATOM 990 C TYR A 64 5.772 12.379 5.626 1.00 0.00 C ATOM 991 O TYR A 64 5.328 13.018 4.687 1.00 0.00 O ATOM 992 CB TYR A 64 4.034 11.791 7.339 1.00 0.00 C ATOM 993 CG TYR A 64 3.739 11.761 8.821 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.537 11.019 9.678 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.677 12.467 9.365 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.289 10.976 11.033 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.422 12.433 10.724 1.00 0.00 C ATOM 998 CZ TYR A 64 3.231 11.685 11.553 1.00 0.00 C ATOM 999 OH TYR A 64 2.980 11.639 12.902 1.00 0.00 O ATOM 0 H TYR A 64 4.036 14.301 6.633 1.00 0.00 H new ATOM 0 HA TYR A 64 6.006 12.388 7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.166 12.178 6.806 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.200 10.774 6.983 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.371 10.463 9.275 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.040 13.052 8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.921 10.389 11.683 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.593 12.990 11.134 1.00 0.00 H new ATOM 0 HH TYR A 64 3.821 11.502 13.387 1.00 0.00 H new ATOM 1009 N THR A 65 6.723 11.487 5.476 1.00 0.00 N ATOM 1010 CA THR A 65 7.361 11.352 4.186 1.00 0.00 C ATOM 1011 C THR A 65 6.753 10.184 3.438 1.00 0.00 C ATOM 1012 O THR A 65 6.202 9.275 4.048 1.00 0.00 O ATOM 1013 CB THR A 65 8.881 11.135 4.319 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.154 9.760 4.607 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.465 12.011 5.417 1.00 0.00 C ATOM 0 H THR A 65 7.065 10.861 6.205 1.00 0.00 H new ATOM 0 HA THR A 65 7.199 12.279 3.637 1.00 0.00 H new ATOM 0 HB THR A 65 9.346 11.411 3.373 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.244 9.640 5.575 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.539 11.837 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.282 13.059 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.993 11.765 6.368 1.00 0.00 H new ATOM 1023 N THR A 66 6.807 10.226 2.122 1.00 0.00 N ATOM 1024 CA THR A 66 6.515 9.043 1.340 1.00 0.00 C ATOM 1025 C THR A 66 7.777 8.185 1.189 1.00 0.00 C ATOM 1026 O THR A 66 7.921 7.422 0.236 1.00 0.00 O ATOM 1027 CB THR A 66 5.951 9.411 -0.048 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.807 10.364 -0.696 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.548 9.983 0.072 1.00 0.00 C ATOM 0 H THR A 66 7.047 11.055 1.578 1.00 0.00 H new ATOM 0 HA THR A 66 5.754 8.470 1.869 1.00 0.00 H new ATOM 0 HB THR A 66 5.907 8.501 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.732 11.231 -0.245 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.172 10.235 -0.920 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.892 9.244 0.532 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.573 10.881 0.690 1.00 0.00 H new ATOM 1037 N ASN A 67 8.678 8.312 2.161 1.00 0.00 N ATOM 1038 CA ASN A 67 9.977 7.651 2.126 1.00 0.00 C ATOM 1039 C ASN A 67 10.019 6.501 3.130 1.00 0.00 C ATOM 1040 O ASN A 67 9.892 6.721 4.332 1.00 0.00 O ATOM 1041 CB ASN A 67 11.061 8.668 2.478 1.00 0.00 C ATOM 1042 CG ASN A 67 12.469 8.163 2.292 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.721 6.963 2.245 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.404 9.089 2.219 1.00 0.00 N ATOM 0 H ASN A 67 8.526 8.878 2.996 1.00 0.00 H new ATOM 0 HA ASN A 67 10.146 7.250 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.922 9.557 1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.932 8.975 3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.383 8.819 2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.149 10.076 2.262 1.00 0.00 H new ATOM 1051 N PRO A 68 10.222 5.261 2.660 1.00 0.00 N ATOM 1052 CA PRO A 68 10.262 4.074 3.528 1.00 0.00 C ATOM 1053 C PRO A 68 11.458 4.060 4.484 1.00 0.00 C ATOM 1054 O PRO A 68 11.647 3.111 5.247 1.00 0.00 O ATOM 1055 CB PRO A 68 10.345 2.898 2.545 1.00 0.00 C ATOM 1056 CG PRO A 68 9.975 3.468 1.215 1.00 0.00 C ATOM 1057 CD PRO A 68 10.407 4.903 1.247 1.00 0.00 C ATOM 0 HA PRO A 68 9.390 4.040 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.348 2.472 2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.664 2.097 2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.471 2.929 0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.902 3.387 1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.443 5.022 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.800 5.524 0.588 1.00 0.00 H new ATOM 1065 N ARG A 69 12.251 5.115 4.440 1.00 0.00 N ATOM 1066 CA ARG A 69 13.372 5.275 5.350 1.00 0.00 C ATOM 1067 C ARG A 69 12.926 5.870 6.679 1.00 0.00 C ATOM 1068 O ARG A 69 13.296 5.380 7.746 1.00 0.00 O ATOM 1069 CB ARG A 69 14.410 6.181 4.708 1.00 0.00 C ATOM 1070 CG ARG A 69 15.177 5.510 3.590 1.00 0.00 C ATOM 1071 CD ARG A 69 16.113 4.453 4.136 1.00 0.00 C ATOM 1072 NE ARG A 69 17.126 5.034 5.015 1.00 0.00 N ATOM 1073 CZ ARG A 69 18.109 4.334 5.572 1.00 0.00 C ATOM 1074 NH1 ARG A 69 18.127 3.010 5.460 1.00 0.00 N ATOM 1075 NH2 ARG A 69 19.056 4.954 6.262 1.00 0.00 N ATOM 0 H ARG A 69 12.138 5.882 3.777 1.00 0.00 H new ATOM 0 HA ARG A 69 13.800 4.292 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.915 7.070 4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.112 6.516 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.479 5.055 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.747 6.256 3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.539 3.706 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.601 3.936 3.310 1.00 0.00 H new ATOM 0 HE ARG A 69 17.076 6.033 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.387 2.531 4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.881 2.472 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.030 5.968 6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.810 4.417 6.689 1.00 0.00 H new ATOM 1089 N LYS A 70 12.120 6.917 6.613 1.00 0.00 N ATOM 1090 CA LYS A 70 11.694 7.616 7.814 1.00 0.00 C ATOM 1091 C LYS A 70 10.198 7.903 7.764 1.00 0.00 C ATOM 1092 O LYS A 70 9.615 8.034 6.692 1.00 0.00 O ATOM 1093 CB LYS A 70 12.491 8.918 8.002 1.00 0.00 C ATOM 1094 CG LYS A 70 12.253 9.978 6.932 1.00 0.00 C ATOM 1095 CD LYS A 70 13.185 9.822 5.742 1.00 0.00 C ATOM 1096 CE LYS A 70 14.646 10.029 6.125 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.883 11.341 6.786 1.00 0.00 N ATOM 0 H LYS A 70 11.749 7.300 5.744 1.00 0.00 H new ATOM 0 HA LYS A 70 11.892 6.972 8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.241 9.342 8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.554 8.676 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.220 9.919 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.389 10.967 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.061 8.828 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.908 10.539 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.960 9.227 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.266 9.959 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.824 11.698 6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.157 12.020 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.834 11.224 7.818 1.00 0.00 H new ATOM 1111 N LEU A 71 9.587 7.986 8.931 1.00 0.00 N ATOM 1112 CA LEU A 71 8.150 8.210 9.041 1.00 0.00 C ATOM 1113 C LEU A 71 7.819 9.662 8.760 1.00 0.00 C ATOM 1114 O LEU A 71 6.877 9.964 8.025 1.00 0.00 O ATOM 1115 CB LEU A 71 7.669 7.809 10.443 1.00 0.00 C ATOM 1116 CG LEU A 71 6.180 8.021 10.732 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.326 7.037 9.947 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.906 7.889 12.223 1.00 0.00 C ATOM 0 H LEU A 71 10.066 7.901 9.827 1.00 0.00 H new ATOM 0 HA LEU A 71 7.636 7.595 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.901 6.755 10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.244 8.373 11.177 1.00 0.00 H new ATOM 0 HG LEU A 71 5.913 9.029 10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.273 7.210 10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.498 7.177 8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.594 6.018 10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.844 8.042 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.195 6.893 12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.483 8.637 12.767 1.00 0.00 H new ATOM 1130 N TYR A 72 8.616 10.550 9.310 1.00 0.00 N ATOM 1131 CA TYR A 72 8.408 11.966 9.122 1.00 0.00 C ATOM 1132 C TYR A 72 9.747 12.674 9.031 1.00 0.00 C ATOM 1133 O TYR A 72 10.795 12.088 9.312 1.00 0.00 O ATOM 1134 CB TYR A 72 7.569 12.550 10.266 1.00 0.00 C ATOM 1135 CG TYR A 72 8.246 12.522 11.615 1.00 0.00 C ATOM 1136 CD1 TYR A 72 9.056 13.573 12.022 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.074 11.451 12.483 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.679 13.559 13.250 1.00 0.00 C ATOM 1139 CE2 TYR A 72 8.694 11.429 13.714 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.495 12.483 14.095 1.00 0.00 C ATOM 1141 OH TYR A 72 10.117 12.457 15.322 1.00 0.00 O ATOM 0 H TYR A 72 9.418 10.314 9.894 1.00 0.00 H new ATOM 0 HA TYR A 72 7.861 12.118 8.192 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.314 13.581 10.023 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.632 11.997 10.332 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.200 14.417 11.364 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.445 10.624 12.189 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.307 14.384 13.550 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.552 10.589 14.377 1.00 0.00 H new ATOM 0 HH TYR A 72 9.880 11.630 15.791 1.00 0.00 H new ATOM 1151 N ASP A 73 9.695 13.928 8.643 1.00 0.00 N ATOM 1152 CA ASP A 73 10.888 14.742 8.461 1.00 0.00 C ATOM 1153 C ASP A 73 10.478 16.203 8.463 1.00 0.00 C ATOM 1154 O ASP A 73 9.296 16.509 8.559 1.00 0.00 O ATOM 1155 CB ASP A 73 11.568 14.401 7.130 1.00 0.00 C ATOM 1156 CG ASP A 73 13.071 14.614 7.146 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.529 15.666 7.634 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.801 13.727 6.656 1.00 0.00 O ATOM 0 H ASP A 73 8.824 14.419 8.443 1.00 0.00 H new ATOM 0 HA ASP A 73 11.592 14.545 9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.359 13.361 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.131 15.012 6.341 1.00 0.00 H new ATOM 1163 N TYR A 74 11.438 17.091 8.342 1.00 0.00 N ATOM 1164 CA TYR A 74 11.153 18.518 8.307 1.00 0.00 C ATOM 1165 C TYR A 74 11.085 18.996 6.871 1.00 0.00 C ATOM 1166 O TYR A 74 11.651 18.368 5.985 1.00 0.00 O ATOM 1167 CB TYR A 74 12.225 19.302 9.061 1.00 0.00 C ATOM 1168 CG TYR A 74 12.198 19.079 10.560 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.861 18.001 11.128 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.503 19.942 11.407 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.838 17.785 12.492 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.477 19.732 12.773 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.145 18.652 13.310 1.00 0.00 C ATOM 1174 OH TYR A 74 12.122 18.436 14.671 1.00 0.00 O ATOM 0 H TYR A 74 12.427 16.855 8.266 1.00 0.00 H new ATOM 0 HA TYR A 74 10.192 18.689 8.792 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.206 19.021 8.678 1.00 0.00 H new ATOM 0 HB3 TYR A 74 12.096 20.365 8.858 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.405 17.318 10.492 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.977 20.788 10.989 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.361 16.940 12.916 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.936 20.410 13.416 1.00 0.00 H new ATOM 0 HH TYR A 74 11.194 18.425 14.985 1.00 0.00 H new ATOM 1184 N CYS A 75 10.385 20.095 6.642 1.00 0.00 N ATOM 1185 CA CYS A 75 10.272 20.658 5.304 1.00 0.00 C ATOM 1186 C CYS A 75 11.120 21.908 5.170 1.00 0.00 C ATOM 1187 O CYS A 75 11.604 22.452 6.162 1.00 0.00 O ATOM 1188 CB CYS A 75 8.822 20.993 4.976 1.00 0.00 C ATOM 1189 SG CYS A 75 7.733 19.548 4.911 1.00 0.00 S ATOM 0 H CYS A 75 9.886 20.616 7.364 1.00 0.00 H new ATOM 0 HA CYS A 75 10.632 19.907 4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.442 21.689 5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.786 21.506 4.015 1.00 0.00 H new ATOM 1194 N ASP A 76 11.271 22.369 3.943 1.00 0.00 N ATOM 1195 CA ASP A 76 12.082 23.540 3.656 1.00 0.00 C ATOM 1196 C ASP A 76 11.216 24.653 3.077 1.00 0.00 C ATOM 1197 O ASP A 76 11.276 24.953 1.886 1.00 0.00 O ATOM 1198 CB ASP A 76 13.213 23.176 2.686 1.00 0.00 C ATOM 1199 CG ASP A 76 14.164 24.331 2.430 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.943 24.676 3.344 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.152 24.885 1.310 1.00 0.00 O ATOM 0 H ASP A 76 10.839 21.947 3.121 1.00 0.00 H new ATOM 0 HA ASP A 76 12.526 23.897 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.774 22.333 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.782 22.849 1.739 1.00 0.00 H new ATOM 1206 N VAL A 77 10.372 25.232 3.917 1.00 0.00 N ATOM 1207 CA VAL A 77 9.557 26.360 3.504 1.00 0.00 C ATOM 1208 C VAL A 77 10.007 27.641 4.202 1.00 0.00 C ATOM 1209 O VAL A 77 10.137 27.691 5.423 1.00 0.00 O ATOM 1210 CB VAL A 77 8.055 26.103 3.752 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.785 25.696 5.179 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.224 27.313 3.378 1.00 0.00 C ATOM 0 H VAL A 77 10.235 24.940 4.885 1.00 0.00 H new ATOM 0 HA VAL A 77 9.696 26.484 2.430 1.00 0.00 H new ATOM 0 HB VAL A 77 7.762 25.273 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.717 25.524 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.331 24.780 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.112 26.489 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.171 27.102 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.534 28.168 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.368 27.541 2.322 1.00 0.00 H new ATOM 1222 N PRO A 78 10.272 28.679 3.400 1.00 0.00 N ATOM 1223 CA PRO A 78 10.745 29.988 3.873 1.00 0.00 C ATOM 1224 C PRO A 78 9.793 30.670 4.837 1.00 0.00 C ATOM 1225 O PRO A 78 8.604 30.351 4.915 1.00 0.00 O ATOM 1226 CB PRO A 78 10.848 30.815 2.583 1.00 0.00 C ATOM 1227 CG PRO A 78 10.003 30.089 1.589 1.00 0.00 C ATOM 1228 CD PRO A 78 10.139 28.647 1.938 1.00 0.00 C ATOM 0 HA PRO A 78 11.677 29.885 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.489 31.833 2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.881 30.889 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.963 30.411 1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.341 30.281 0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.269 28.071 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.010 28.196 1.462 1.00 0.00 H new ATOM 1236 N GLN A 79 10.344 31.615 5.574 1.00 0.00 N ATOM 1237 CA GLN A 79 9.591 32.375 6.540 1.00 0.00 C ATOM 1238 C GLN A 79 8.709 33.414 5.858 1.00 0.00 C ATOM 1239 O GLN A 79 9.195 34.367 5.252 1.00 0.00 O ATOM 1240 CB GLN A 79 10.536 33.048 7.530 1.00 0.00 C ATOM 1241 CG GLN A 79 9.812 33.812 8.604 1.00 0.00 C ATOM 1242 CD GLN A 79 8.911 32.916 9.418 1.00 0.00 C ATOM 1243 OE1 GLN A 79 7.842 33.339 9.829 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.333 31.665 9.640 1.00 0.00 N ATOM 0 H GLN A 79 11.329 31.874 5.516 1.00 0.00 H new ATOM 0 HA GLN A 79 8.941 31.687 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.168 32.290 7.993 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.196 33.727 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.538 34.292 9.261 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.220 34.606 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.235 31.359 9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.753 31.018 10.174 1.00 0.00 H new ATOM 1253 N CYS A 80 7.413 33.198 5.960 1.00 0.00 N ATOM 1254 CA CYS A 80 6.417 34.107 5.434 1.00 0.00 C ATOM 1255 C CYS A 80 6.306 35.317 6.348 1.00 0.00 C ATOM 1256 O CYS A 80 6.247 36.457 5.893 1.00 0.00 O ATOM 1257 CB CYS A 80 5.064 33.399 5.353 1.00 0.00 C ATOM 1258 SG CYS A 80 4.128 33.690 3.817 1.00 0.00 S ATOM 0 H CYS A 80 7.018 32.376 6.416 1.00 0.00 H new ATOM 0 HA CYS A 80 6.712 34.430 4.436 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.226 32.327 5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.454 33.718 6.198 1.00 0.00 H new ATOM 1263 N ALA A 81 6.296 35.048 7.651 1.00 0.00 N ATOM 1264 CA ALA A 81 6.174 36.103 8.650 1.00 0.00 C ATOM 1265 C ALA A 81 7.525 36.738 8.941 1.00 0.00 C ATOM 1266 O ALA A 81 8.018 36.691 10.070 1.00 0.00 O ATOM 1267 CB ALA A 81 5.558 35.564 9.931 1.00 0.00 C ATOM 0 H ALA A 81 6.371 34.108 8.039 1.00 0.00 H new ATOM 0 HA ALA A 81 5.515 36.871 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.477 36.368 10.662 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.566 35.165 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.189 34.771 10.333 1.00 0.00 H new