USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 1.27 (180deg=-0.357) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -130:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.788 K(o=-0.79,f=-4.9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0429 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.16) USER MOD Single : A 28 SER OG : rot -122:sc= 0.392 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0.777 (180deg=0.605) USER MOD Single : A 38 ASN : amide:sc=-0.00582 K(o=-0.0058,f=-0.93) USER MOD Single : A 40 ASN : amide:sc=-0.00972 X(o=-0.0097,f=-0.0019) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc=-0.00583 (180deg=-0.213) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=-0.2) USER MOD Single : A 62 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-2.9!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.452 -3.846 5.159 1.00 54.23 N ATOM 2 CA MET A 1 10.388 -4.393 3.788 1.00 63.14 C ATOM 3 C MET A 1 8.979 -4.291 3.213 1.00 23.01 C ATOM 4 O MET A 1 8.024 -4.834 3.771 1.00 74.00 O ATOM 5 CB MET A 1 10.868 -5.857 3.748 1.00 20.23 C ATOM 6 CG MET A 1 10.100 -6.814 4.654 1.00 41.11 C ATOM 7 SD MET A 1 10.494 -6.597 6.401 1.00 2.22 S ATOM 8 CE MET A 1 9.429 -7.832 7.139 1.00 4.31 C ATOM 0 H1 MET A 1 11.129 -3.057 5.187 1.00 54.23 H new ATOM 0 H2 MET A 1 9.511 -3.505 5.441 1.00 54.23 H new ATOM 0 H3 MET A 1 10.761 -4.591 5.816 1.00 54.23 H new ATOM 0 HA MET A 1 11.056 -3.791 3.172 1.00 63.14 H new ATOM 0 HB2 MET A 1 10.799 -6.218 2.722 1.00 20.23 H new ATOM 0 HB3 MET A 1 11.922 -5.885 4.025 1.00 20.23 H new ATOM 0 HG2 MET A 1 9.030 -6.665 4.507 1.00 41.11 H new ATOM 0 HG3 MET A 1 10.322 -7.840 4.361 1.00 41.11 H new ATOM 0 HE1 MET A 1 9.557 -7.823 8.221 1.00 4.31 H new ATOM 0 HE2 MET A 1 8.390 -7.610 6.894 1.00 4.31 H new ATOM 0 HE3 MET A 1 9.690 -8.817 6.751 1.00 4.31 H new ATOM 20 N ILE A 2 8.858 -3.575 2.107 1.00 72.34 N ATOM 21 CA ILE A 2 7.611 -3.504 1.360 1.00 63.25 C ATOM 22 C ILE A 2 7.895 -3.860 -0.094 1.00 71.35 C ATOM 23 O ILE A 2 8.955 -3.519 -0.618 1.00 41.51 O ATOM 24 CB ILE A 2 6.969 -2.098 1.439 1.00 31.11 C ATOM 25 CG1 ILE A 2 6.761 -1.691 2.904 1.00 3.24 C ATOM 26 CG2 ILE A 2 5.643 -2.074 0.688 1.00 34.32 C ATOM 27 CD1 ILE A 2 6.169 -0.306 3.080 1.00 24.45 C ATOM 0 H ILE A 2 9.618 -3.028 1.702 1.00 72.34 H new ATOM 0 HA ILE A 2 6.904 -4.208 1.799 1.00 63.25 H new ATOM 0 HB ILE A 2 7.643 -1.382 0.970 1.00 31.11 H new ATOM 0 HG12 ILE A 2 6.106 -2.419 3.383 1.00 3.24 H new ATOM 0 HG13 ILE A 2 7.719 -1.734 3.422 1.00 3.24 H new ATOM 0 HG21 ILE A 2 5.205 -1.078 0.754 1.00 34.32 H new ATOM 0 HG22 ILE A 2 5.813 -2.327 -0.358 1.00 34.32 H new ATOM 0 HG23 ILE A 2 4.961 -2.800 1.131 1.00 34.32 H new ATOM 0 HD11 ILE A 2 6.053 -0.092 4.143 1.00 24.45 H new ATOM 0 HD12 ILE A 2 6.833 0.433 2.632 1.00 24.45 H new ATOM 0 HD13 ILE A 2 5.195 -0.262 2.592 1.00 24.45 H new ATOM 39 N PHE A 3 6.974 -4.563 -0.731 1.00 31.24 N ATOM 40 CA PHE A 3 7.189 -5.040 -2.092 1.00 43.23 C ATOM 41 C PHE A 3 6.035 -4.642 -3.007 1.00 5.22 C ATOM 42 O PHE A 3 4.879 -4.592 -2.579 1.00 25.51 O ATOM 43 CB PHE A 3 7.372 -6.562 -2.096 1.00 61.43 C ATOM 44 CG PHE A 3 8.569 -7.013 -1.306 1.00 32.31 C ATOM 45 CD1 PHE A 3 9.829 -7.032 -1.882 1.00 43.20 C ATOM 46 CD2 PHE A 3 8.434 -7.407 0.016 1.00 24.23 C ATOM 47 CE1 PHE A 3 10.932 -7.437 -1.155 1.00 24.22 C ATOM 48 CE2 PHE A 3 9.533 -7.815 0.747 1.00 43.13 C ATOM 49 CZ PHE A 3 10.783 -7.827 0.162 1.00 2.51 C ATOM 0 H PHE A 3 6.071 -4.817 -0.331 1.00 31.24 H new ATOM 0 HA PHE A 3 8.096 -4.572 -2.475 1.00 43.23 H new ATOM 0 HB2 PHE A 3 6.477 -7.031 -1.688 1.00 61.43 H new ATOM 0 HB3 PHE A 3 7.472 -6.907 -3.125 1.00 61.43 H new ATOM 0 HD1 PHE A 3 9.950 -6.727 -2.911 1.00 43.20 H new ATOM 0 HD2 PHE A 3 7.459 -7.395 0.480 1.00 24.23 H new ATOM 0 HE1 PHE A 3 11.909 -7.449 -1.615 1.00 24.22 H new ATOM 0 HE2 PHE A 3 9.414 -8.124 1.775 1.00 43.13 H new ATOM 0 HZ PHE A 3 11.644 -8.141 0.733 1.00 2.51 H new ATOM 59 N PRO A 4 6.338 -4.351 -4.287 1.00 0.04 N ATOM 60 CA PRO A 4 5.330 -3.956 -5.280 1.00 62.55 C ATOM 61 C PRO A 4 4.266 -5.030 -5.484 1.00 43.01 C ATOM 62 O PRO A 4 4.563 -6.229 -5.460 1.00 35.23 O ATOM 63 CB PRO A 4 6.139 -3.756 -6.567 1.00 20.10 C ATOM 64 CG PRO A 4 7.545 -3.564 -6.114 1.00 64.23 C ATOM 65 CD PRO A 4 7.691 -4.388 -4.867 1.00 53.03 C ATOM 0 HA PRO A 4 4.785 -3.066 -4.966 1.00 62.55 H new ATOM 0 HB2 PRO A 4 6.051 -4.620 -7.226 1.00 20.10 H new ATOM 0 HB3 PRO A 4 5.783 -2.891 -7.126 1.00 20.10 H new ATOM 0 HG2 PRO A 4 8.250 -3.887 -6.880 1.00 64.23 H new ATOM 0 HG3 PRO A 4 7.751 -2.513 -5.914 1.00 64.23 H new ATOM 0 HD2 PRO A 4 8.007 -5.407 -5.091 1.00 53.03 H new ATOM 0 HD3 PRO A 4 8.433 -3.966 -4.189 1.00 53.03 H new ATOM 73 N GLY A 5 3.031 -4.598 -5.683 1.00 23.51 N ATOM 74 CA GLY A 5 1.935 -5.532 -5.853 1.00 44.04 C ATOM 75 C GLY A 5 1.229 -5.835 -4.546 1.00 62.22 C ATOM 76 O GLY A 5 0.356 -6.701 -4.485 1.00 23.02 O ATOM 0 H GLY A 5 2.766 -3.614 -5.730 1.00 23.51 H new ATOM 0 HA2 GLY A 5 1.218 -5.122 -6.564 1.00 44.04 H new ATOM 0 HA3 GLY A 5 2.314 -6.459 -6.282 1.00 44.04 H new ATOM 80 N ALA A 6 1.617 -5.131 -3.496 1.00 31.42 N ATOM 81 CA ALA A 6 0.985 -5.289 -2.196 1.00 53.01 C ATOM 82 C ALA A 6 0.224 -4.026 -1.822 1.00 43.43 C ATOM 83 O ALA A 6 0.510 -2.941 -2.340 1.00 45.34 O ATOM 84 CB ALA A 6 2.025 -5.623 -1.133 1.00 13.03 C ATOM 0 H ALA A 6 2.369 -4.442 -3.518 1.00 31.42 H new ATOM 0 HA ALA A 6 0.277 -6.116 -2.253 1.00 53.01 H new ATOM 0 HB1 ALA A 6 1.534 -5.738 -0.167 1.00 13.03 H new ATOM 0 HB2 ALA A 6 2.529 -6.553 -1.396 1.00 13.03 H new ATOM 0 HB3 ALA A 6 2.757 -4.818 -1.075 1.00 13.03 H new ATOM 90 N THR A 7 -0.746 -4.167 -0.934 1.00 4.13 N ATOM 91 CA THR A 7 -1.543 -3.037 -0.497 1.00 64.33 C ATOM 92 C THR A 7 -0.932 -2.404 0.750 1.00 32.13 C ATOM 93 O THR A 7 -0.594 -3.099 1.714 1.00 35.14 O ATOM 94 CB THR A 7 -2.988 -3.465 -0.188 1.00 3.13 C ATOM 95 OG1 THR A 7 -3.479 -4.319 -1.230 1.00 23.23 O ATOM 96 CG2 THR A 7 -3.899 -2.253 -0.056 1.00 24.25 C ATOM 0 H THR A 7 -1.000 -5.055 -0.502 1.00 4.13 H new ATOM 0 HA THR A 7 -1.555 -2.309 -1.308 1.00 64.33 H new ATOM 0 HB THR A 7 -2.986 -4.005 0.759 1.00 3.13 H new ATOM 0 HG1 THR A 7 -4.399 -4.589 -1.026 1.00 23.23 H new ATOM 0 HG21 THR A 7 -4.915 -2.583 0.162 1.00 24.25 H new ATOM 0 HG22 THR A 7 -3.542 -1.616 0.754 1.00 24.25 H new ATOM 0 HG23 THR A 7 -3.893 -1.690 -0.989 1.00 24.25 H new ATOM 104 N VAL A 8 -0.775 -1.094 0.718 1.00 15.30 N ATOM 105 CA VAL A 8 -0.262 -0.353 1.859 1.00 63.32 C ATOM 106 C VAL A 8 -1.247 0.729 2.266 1.00 53.32 C ATOM 107 O VAL A 8 -1.901 1.341 1.420 1.00 44.32 O ATOM 108 CB VAL A 8 1.114 0.290 1.578 1.00 52.33 C ATOM 109 CG1 VAL A 8 2.200 -0.772 1.527 1.00 54.12 C ATOM 110 CG2 VAL A 8 1.086 1.096 0.285 1.00 75.21 C ATOM 0 H VAL A 8 -0.997 -0.516 -0.092 1.00 15.30 H new ATOM 0 HA VAL A 8 -0.134 -1.071 2.669 1.00 63.32 H new ATOM 0 HB VAL A 8 1.341 0.974 2.395 1.00 52.33 H new ATOM 0 HG11 VAL A 8 3.162 -0.299 1.328 1.00 54.12 H new ATOM 0 HG12 VAL A 8 2.243 -1.294 2.483 1.00 54.12 H new ATOM 0 HG13 VAL A 8 1.975 -1.485 0.734 1.00 54.12 H new ATOM 0 HG21 VAL A 8 2.067 1.538 0.111 1.00 75.21 H new ATOM 0 HG22 VAL A 8 0.830 0.440 -0.547 1.00 75.21 H new ATOM 0 HG23 VAL A 8 0.341 1.887 0.366 1.00 75.21 H new ATOM 120 N ARG A 9 -1.362 0.947 3.561 1.00 50.04 N ATOM 121 CA ARG A 9 -2.284 1.936 4.089 1.00 50.20 C ATOM 122 C ARG A 9 -1.528 3.195 4.484 1.00 62.41 C ATOM 123 O ARG A 9 -0.557 3.140 5.245 1.00 72.14 O ATOM 124 CB ARG A 9 -3.052 1.352 5.279 1.00 51.20 C ATOM 125 CG ARG A 9 -4.016 2.318 5.949 1.00 64.41 C ATOM 126 CD ARG A 9 -5.056 1.575 6.778 1.00 25.12 C ATOM 127 NE ARG A 9 -4.452 0.583 7.669 1.00 31.40 N ATOM 128 CZ ARG A 9 -5.009 -0.597 7.956 1.00 14.13 C ATOM 129 NH1 ARG A 9 -6.196 -0.920 7.457 1.00 64.12 N ATOM 130 NH2 ARG A 9 -4.382 -1.456 8.749 1.00 1.32 N ATOM 0 H ARG A 9 -0.825 0.450 4.272 1.00 50.04 H new ATOM 0 HA ARG A 9 -3.007 2.205 3.319 1.00 50.20 H new ATOM 0 HB2 ARG A 9 -3.610 0.479 4.941 1.00 51.20 H new ATOM 0 HB3 ARG A 9 -2.334 1.003 6.021 1.00 51.20 H new ATOM 0 HG2 ARG A 9 -3.461 3.005 6.588 1.00 64.41 H new ATOM 0 HG3 ARG A 9 -4.515 2.921 5.191 1.00 64.41 H new ATOM 0 HD2 ARG A 9 -5.626 2.292 7.369 1.00 25.12 H new ATOM 0 HD3 ARG A 9 -5.762 1.079 6.112 1.00 25.12 H new ATOM 0 HE ARG A 9 -3.553 0.806 8.096 1.00 31.40 H new ATOM 0 HH11 ARG A 9 -6.689 -0.265 6.850 1.00 64.12 H new ATOM 0 HH12 ARG A 9 -6.615 -1.823 7.681 1.00 64.12 H new ATOM 0 HH21 ARG A 9 -3.472 -1.216 9.142 1.00 1.32 H new ATOM 0 HH22 ARG A 9 -4.810 -2.356 8.966 1.00 1.32 H new ATOM 144 N VAL A 10 -1.965 4.322 3.940 1.00 53.40 N ATOM 145 CA VAL A 10 -1.330 5.603 4.198 1.00 64.54 C ATOM 146 C VAL A 10 -1.430 5.957 5.675 1.00 44.02 C ATOM 147 O VAL A 10 -2.527 6.138 6.215 1.00 51.32 O ATOM 148 CB VAL A 10 -1.961 6.725 3.347 1.00 60.12 C ATOM 149 CG1 VAL A 10 -1.282 8.058 3.616 1.00 23.43 C ATOM 150 CG2 VAL A 10 -1.890 6.378 1.866 1.00 50.43 C ATOM 0 H VAL A 10 -2.766 4.373 3.311 1.00 53.40 H new ATOM 0 HA VAL A 10 -0.280 5.513 3.920 1.00 64.54 H new ATOM 0 HB VAL A 10 -3.010 6.816 3.631 1.00 60.12 H new ATOM 0 HG11 VAL A 10 -1.745 8.832 3.004 1.00 23.43 H new ATOM 0 HG12 VAL A 10 -1.390 8.315 4.670 1.00 23.43 H new ATOM 0 HG13 VAL A 10 -0.223 7.984 3.367 1.00 23.43 H new ATOM 0 HG21 VAL A 10 -2.340 7.181 1.282 1.00 50.43 H new ATOM 0 HG22 VAL A 10 -0.848 6.255 1.571 1.00 50.43 H new ATOM 0 HG23 VAL A 10 -2.431 5.450 1.683 1.00 50.43 H new ATOM 160 N THR A 11 -0.282 6.036 6.326 1.00 33.25 N ATOM 161 CA THR A 11 -0.232 6.282 7.753 1.00 13.43 C ATOM 162 C THR A 11 0.214 7.719 8.029 1.00 73.14 C ATOM 163 O THR A 11 0.495 8.090 9.168 1.00 71.44 O ATOM 164 CB THR A 11 0.713 5.271 8.437 1.00 42.54 C ATOM 165 OG1 THR A 11 0.485 3.963 7.883 1.00 44.21 O ATOM 166 CG2 THR A 11 0.480 5.217 9.940 1.00 45.40 C ATOM 0 H THR A 11 0.631 5.932 5.884 1.00 33.25 H new ATOM 0 HA THR A 11 -1.231 6.150 8.168 1.00 13.43 H new ATOM 0 HB THR A 11 1.739 5.593 8.260 1.00 42.54 H new ATOM 0 HG1 THR A 11 0.362 3.317 8.610 1.00 44.21 H new ATOM 0 HG21 THR A 11 1.163 4.495 10.388 1.00 45.40 H new ATOM 0 HG22 THR A 11 0.659 6.202 10.372 1.00 45.40 H new ATOM 0 HG23 THR A 11 -0.549 4.915 10.138 1.00 45.40 H new ATOM 174 N ASN A 12 0.259 8.528 6.972 1.00 22.24 N ATOM 175 CA ASN A 12 0.563 9.950 7.101 1.00 30.21 C ATOM 176 C ASN A 12 -0.443 10.615 8.032 1.00 71.41 C ATOM 177 O ASN A 12 -1.610 10.783 7.681 1.00 5.34 O ATOM 178 CB ASN A 12 0.544 10.638 5.737 1.00 3.55 C ATOM 179 CG ASN A 12 1.718 10.246 4.860 1.00 5.23 C ATOM 180 OD1 ASN A 12 1.649 9.281 4.100 1.00 40.42 O ATOM 181 ND2 ASN A 12 2.806 10.990 4.969 1.00 30.14 N ATOM 0 H ASN A 12 0.088 8.221 6.014 1.00 22.24 H new ATOM 0 HA ASN A 12 1.564 10.049 7.521 1.00 30.21 H new ATOM 0 HB2 ASN A 12 -0.385 10.390 5.224 1.00 3.55 H new ATOM 0 HB3 ASN A 12 0.550 11.718 5.881 1.00 3.55 H new ATOM 0 HD21 ASN A 12 3.631 10.772 4.410 1.00 30.14 H new ATOM 0 HD22 ASN A 12 2.820 11.782 5.612 1.00 30.14 H new ATOM 188 N VAL A 13 0.023 11.000 9.212 1.00 21.40 N ATOM 189 CA VAL A 13 -0.862 11.439 10.284 1.00 71.43 C ATOM 190 C VAL A 13 -1.504 12.796 9.983 1.00 75.12 C ATOM 191 O VAL A 13 -2.668 13.027 10.316 1.00 34.21 O ATOM 192 CB VAL A 13 -0.106 11.495 11.637 1.00 15.50 C ATOM 193 CG1 VAL A 13 1.033 12.508 11.598 1.00 63.15 C ATOM 194 CG2 VAL A 13 -1.060 11.801 12.783 1.00 72.40 C ATOM 0 H VAL A 13 1.014 11.017 9.453 1.00 21.40 H new ATOM 0 HA VAL A 13 -1.662 10.703 10.355 1.00 71.43 H new ATOM 0 HB VAL A 13 0.330 10.511 11.809 1.00 15.50 H new ATOM 0 HG11 VAL A 13 1.541 12.521 12.562 1.00 63.15 H new ATOM 0 HG12 VAL A 13 1.742 12.229 10.818 1.00 63.15 H new ATOM 0 HG13 VAL A 13 0.632 13.499 11.386 1.00 63.15 H new ATOM 0 HG21 VAL A 13 -0.504 11.835 13.720 1.00 72.40 H new ATOM 0 HG22 VAL A 13 -1.539 12.765 12.610 1.00 72.40 H new ATOM 0 HG23 VAL A 13 -1.821 11.023 12.840 1.00 72.40 H new ATOM 204 N ASP A 14 -0.763 13.675 9.329 1.00 3.30 N ATOM 205 CA ASP A 14 -1.226 15.041 9.107 1.00 33.31 C ATOM 206 C ASP A 14 -1.787 15.207 7.695 1.00 54.33 C ATOM 207 O ASP A 14 -2.304 16.264 7.330 1.00 5.43 O ATOM 208 CB ASP A 14 -0.079 16.027 9.359 1.00 63.45 C ATOM 209 CG ASP A 14 -0.508 17.475 9.237 1.00 2.23 C ATOM 210 OD1 ASP A 14 -1.431 17.895 9.973 1.00 1.21 O ATOM 211 OD2 ASP A 14 0.091 18.207 8.422 1.00 40.35 O ATOM 0 H ASP A 14 0.159 13.471 8.943 1.00 3.30 H new ATOM 0 HA ASP A 14 -2.033 15.254 9.809 1.00 33.31 H new ATOM 0 HB2 ASP A 14 0.327 15.857 10.356 1.00 63.45 H new ATOM 0 HB3 ASP A 14 0.725 15.831 8.649 1.00 63.45 H new ATOM 216 N ASP A 15 -1.717 14.144 6.908 1.00 21.42 N ATOM 217 CA ASP A 15 -2.186 14.197 5.530 1.00 31.21 C ATOM 218 C ASP A 15 -3.685 13.910 5.470 1.00 32.24 C ATOM 219 O ASP A 15 -4.278 13.430 6.441 1.00 42.21 O ATOM 220 CB ASP A 15 -1.413 13.206 4.654 1.00 14.20 C ATOM 221 CG ASP A 15 -1.647 13.432 3.173 1.00 72.54 C ATOM 222 OD1 ASP A 15 -0.911 14.241 2.566 1.00 15.22 O ATOM 223 OD2 ASP A 15 -2.578 12.824 2.615 1.00 55.01 O ATOM 0 H ASP A 15 -1.343 13.240 7.196 1.00 21.42 H new ATOM 0 HA ASP A 15 -2.008 15.201 5.144 1.00 31.21 H new ATOM 0 HB2 ASP A 15 -0.348 13.293 4.867 1.00 14.20 H new ATOM 0 HB3 ASP A 15 -1.709 12.190 4.914 1.00 14.20 H new ATOM 228 N THR A 16 -4.294 14.212 4.335 1.00 13.43 N ATOM 229 CA THR A 16 -5.723 14.042 4.162 1.00 4.35 C ATOM 230 C THR A 16 -6.054 12.608 3.750 1.00 62.33 C ATOM 231 O THR A 16 -7.130 12.093 4.061 1.00 12.43 O ATOM 232 CB THR A 16 -6.253 15.035 3.108 1.00 72.24 C ATOM 233 OG1 THR A 16 -5.796 16.359 3.421 1.00 2.15 O ATOM 234 CG2 THR A 16 -7.773 15.027 3.055 1.00 0.31 C ATOM 0 H THR A 16 -3.813 14.579 3.514 1.00 13.43 H new ATOM 0 HA THR A 16 -6.210 14.245 5.116 1.00 4.35 H new ATOM 0 HB THR A 16 -5.874 14.728 2.133 1.00 72.24 H new ATOM 0 HG1 THR A 16 -6.132 16.988 2.749 1.00 2.15 H new ATOM 0 HG21 THR A 16 -8.115 15.738 2.302 1.00 0.31 H new ATOM 0 HG22 THR A 16 -8.123 14.028 2.796 1.00 0.31 H new ATOM 0 HG23 THR A 16 -8.173 15.310 4.029 1.00 0.31 H new ATOM 242 N TYR A 17 -5.106 11.949 3.092 1.00 73.30 N ATOM 243 CA TYR A 17 -5.315 10.593 2.597 1.00 54.21 C ATOM 244 C TYR A 17 -4.953 9.559 3.656 1.00 1.11 C ATOM 245 O TYR A 17 -4.651 8.408 3.343 1.00 50.34 O ATOM 246 CB TYR A 17 -4.500 10.357 1.325 1.00 23.34 C ATOM 247 CG TYR A 17 -4.961 11.195 0.153 1.00 43.42 C ATOM 248 CD1 TYR A 17 -5.945 10.732 -0.712 1.00 63.10 C ATOM 249 CD2 TYR A 17 -4.415 12.447 -0.083 1.00 70.42 C ATOM 250 CE1 TYR A 17 -6.370 11.496 -1.781 1.00 34.45 C ATOM 251 CE2 TYR A 17 -4.836 13.218 -1.149 1.00 53.14 C ATOM 252 CZ TYR A 17 -5.812 12.737 -1.994 1.00 33.15 C ATOM 253 OH TYR A 17 -6.232 13.502 -3.058 1.00 41.44 O ATOM 0 H TYR A 17 -4.183 12.333 2.889 1.00 73.30 H new ATOM 0 HA TYR A 17 -6.374 10.481 2.362 1.00 54.21 H new ATOM 0 HB2 TYR A 17 -3.452 10.575 1.528 1.00 23.34 H new ATOM 0 HB3 TYR A 17 -4.560 9.303 1.054 1.00 23.34 H new ATOM 0 HD1 TYR A 17 -6.384 9.759 -0.546 1.00 63.10 H new ATOM 0 HD2 TYR A 17 -3.648 12.826 0.577 1.00 70.42 H new ATOM 0 HE1 TYR A 17 -7.135 11.123 -2.446 1.00 34.45 H new ATOM 0 HE2 TYR A 17 -4.402 14.192 -1.319 1.00 53.14 H new ATOM 0 HH TYR A 17 -5.740 14.349 -3.066 1.00 41.44 H new ATOM 263 N TYR A 18 -5.018 9.974 4.909 1.00 60.43 N ATOM 264 CA TYR A 18 -4.780 9.083 6.035 1.00 11.14 C ATOM 265 C TYR A 18 -5.836 7.979 6.061 1.00 72.54 C ATOM 266 O TYR A 18 -7.018 8.248 5.828 1.00 44.24 O ATOM 267 CB TYR A 18 -4.802 9.890 7.338 1.00 42.34 C ATOM 268 CG TYR A 18 -4.529 9.081 8.589 1.00 5.12 C ATOM 269 CD1 TYR A 18 -3.318 8.424 8.765 1.00 24.50 C ATOM 270 CD2 TYR A 18 -5.481 8.981 9.595 1.00 3.43 C ATOM 271 CE1 TYR A 18 -3.063 7.689 9.907 1.00 43.23 C ATOM 272 CE2 TYR A 18 -5.233 8.248 10.741 1.00 44.13 C ATOM 273 CZ TYR A 18 -4.022 7.603 10.890 1.00 54.03 C ATOM 274 OH TYR A 18 -3.773 6.874 12.031 1.00 15.34 O ATOM 0 H TYR A 18 -5.236 10.934 5.176 1.00 60.43 H new ATOM 0 HA TYR A 18 -3.801 8.614 5.930 1.00 11.14 H new ATOM 0 HB2 TYR A 18 -4.061 10.687 7.268 1.00 42.34 H new ATOM 0 HB3 TYR A 18 -5.776 10.368 7.437 1.00 42.34 H new ATOM 0 HD1 TYR A 18 -2.563 8.489 7.996 1.00 24.50 H new ATOM 0 HD2 TYR A 18 -6.430 9.484 9.481 1.00 3.43 H new ATOM 0 HE1 TYR A 18 -2.116 7.185 10.027 1.00 43.23 H new ATOM 0 HE2 TYR A 18 -5.983 8.181 11.515 1.00 44.13 H new ATOM 0 HH TYR A 18 -4.553 6.917 12.623 1.00 15.34 H new ATOM 284 N ARG A 19 -5.384 6.743 6.314 1.00 21.22 N ATOM 285 CA ARG A 19 -6.252 5.555 6.405 1.00 21.21 C ATOM 286 C ARG A 19 -6.581 4.972 5.031 1.00 42.43 C ATOM 287 O ARG A 19 -7.120 3.868 4.940 1.00 42.01 O ATOM 288 CB ARG A 19 -7.552 5.842 7.165 1.00 31.54 C ATOM 289 CG ARG A 19 -7.353 6.184 8.629 1.00 51.13 C ATOM 290 CD ARG A 19 -8.625 6.759 9.234 1.00 44.01 C ATOM 291 NE ARG A 19 -9.055 7.975 8.533 1.00 63.23 N ATOM 292 CZ ARG A 19 -9.731 8.973 9.106 1.00 23.14 C ATOM 293 NH1 ARG A 19 -10.105 8.890 10.377 1.00 51.35 N ATOM 294 NH2 ARG A 19 -10.049 10.053 8.403 1.00 21.22 N ATOM 0 H ARG A 19 -4.397 6.535 6.463 1.00 21.22 H new ATOM 0 HA ARG A 19 -5.679 4.817 6.966 1.00 21.21 H new ATOM 0 HB2 ARG A 19 -8.070 6.668 6.678 1.00 31.54 H new ATOM 0 HB3 ARG A 19 -8.202 4.970 7.092 1.00 31.54 H new ATOM 0 HG2 ARG A 19 -7.057 5.290 9.178 1.00 51.13 H new ATOM 0 HG3 ARG A 19 -6.541 6.904 8.731 1.00 51.13 H new ATOM 0 HD2 ARG A 19 -9.419 6.013 9.190 1.00 44.01 H new ATOM 0 HD3 ARG A 19 -8.458 6.985 10.287 1.00 44.01 H new ATOM 0 HE ARG A 19 -8.822 8.063 7.544 1.00 63.23 H new ATOM 0 HH11 ARG A 19 -9.876 8.059 10.923 1.00 51.35 H new ATOM 0 HH12 ARG A 19 -10.621 9.657 10.808 1.00 51.35 H new ATOM 0 HH21 ARG A 19 -9.777 10.122 7.422 1.00 21.22 H new ATOM 0 HH22 ARG A 19 -10.566 10.814 8.843 1.00 21.22 H new ATOM 308 N PHE A 20 -6.259 5.696 3.965 1.00 32.33 N ATOM 309 CA PHE A 20 -6.495 5.191 2.620 1.00 52.12 C ATOM 310 C PHE A 20 -5.499 4.093 2.284 1.00 23.20 C ATOM 311 O PHE A 20 -4.376 4.087 2.783 1.00 33.34 O ATOM 312 CB PHE A 20 -6.402 6.305 1.580 1.00 13.23 C ATOM 313 CG PHE A 20 -7.591 7.228 1.554 1.00 44.53 C ATOM 314 CD1 PHE A 20 -7.795 8.158 2.560 1.00 31.04 C ATOM 315 CD2 PHE A 20 -8.502 7.164 0.512 1.00 2.44 C ATOM 316 CE1 PHE A 20 -8.883 9.006 2.528 1.00 42.51 C ATOM 317 CE2 PHE A 20 -9.594 8.010 0.475 1.00 73.42 C ATOM 318 CZ PHE A 20 -9.784 8.933 1.484 1.00 71.45 C ATOM 0 H PHE A 20 -5.838 6.624 4.005 1.00 32.33 H new ATOM 0 HA PHE A 20 -7.506 4.783 2.595 1.00 52.12 H new ATOM 0 HB2 PHE A 20 -5.505 6.893 1.773 1.00 13.23 H new ATOM 0 HB3 PHE A 20 -6.283 5.857 0.594 1.00 13.23 H new ATOM 0 HD1 PHE A 20 -7.094 8.220 3.379 1.00 31.04 H new ATOM 0 HD2 PHE A 20 -8.357 6.445 -0.280 1.00 2.44 H new ATOM 0 HE1 PHE A 20 -9.030 9.726 3.319 1.00 42.51 H new ATOM 0 HE2 PHE A 20 -10.298 7.949 -0.342 1.00 73.42 H new ATOM 0 HZ PHE A 20 -10.636 9.597 1.457 1.00 71.45 H new ATOM 328 N GLU A 21 -5.914 3.172 1.437 1.00 40.31 N ATOM 329 CA GLU A 21 -5.082 2.039 1.060 1.00 61.03 C ATOM 330 C GLU A 21 -4.787 2.076 -0.434 1.00 63.23 C ATOM 331 O GLU A 21 -5.686 2.295 -1.249 1.00 2.54 O ATOM 332 CB GLU A 21 -5.774 0.728 1.443 1.00 53.41 C ATOM 333 CG GLU A 21 -5.974 0.571 2.944 1.00 54.02 C ATOM 334 CD GLU A 21 -6.895 -0.579 3.299 1.00 15.33 C ATOM 335 OE1 GLU A 21 -6.413 -1.719 3.434 1.00 73.44 O ATOM 336 OE2 GLU A 21 -8.112 -0.337 3.467 1.00 41.55 O ATOM 0 H GLU A 21 -6.831 3.184 0.991 1.00 40.31 H new ATOM 0 HA GLU A 21 -4.136 2.100 1.598 1.00 61.03 H new ATOM 0 HB2 GLU A 21 -6.743 0.678 0.947 1.00 53.41 H new ATOM 0 HB3 GLU A 21 -5.183 -0.109 1.072 1.00 53.41 H new ATOM 0 HG2 GLU A 21 -5.006 0.415 3.420 1.00 54.02 H new ATOM 0 HG3 GLU A 21 -6.383 1.496 3.350 1.00 54.02 H new ATOM 343 N GLY A 22 -3.528 1.876 -0.786 1.00 60.04 N ATOM 344 CA GLY A 22 -3.134 1.935 -2.178 1.00 73.23 C ATOM 345 C GLY A 22 -2.228 0.789 -2.572 1.00 1.45 C ATOM 346 O GLY A 22 -1.787 0.015 -1.718 1.00 70.32 O ATOM 0 H GLY A 22 -2.771 1.674 -0.133 1.00 60.04 H new ATOM 0 HA2 GLY A 22 -4.025 1.922 -2.806 1.00 73.23 H new ATOM 0 HA3 GLY A 22 -2.624 2.879 -2.368 1.00 73.23 H new ATOM 350 N LEU A 23 -1.939 0.688 -3.859 1.00 24.05 N ATOM 351 CA LEU A 23 -1.143 -0.413 -4.379 1.00 14.11 C ATOM 352 C LEU A 23 0.292 0.039 -4.628 1.00 42.13 C ATOM 353 O LEU A 23 0.522 1.028 -5.323 1.00 72.15 O ATOM 354 CB LEU A 23 -1.762 -0.932 -5.679 1.00 20.04 C ATOM 355 CG LEU A 23 -1.081 -2.159 -6.285 1.00 74.02 C ATOM 356 CD1 LEU A 23 -1.238 -3.361 -5.363 1.00 23.23 C ATOM 357 CD2 LEU A 23 -1.661 -2.456 -7.658 1.00 62.32 C ATOM 0 H LEU A 23 -2.245 1.357 -4.565 1.00 24.05 H new ATOM 0 HA LEU A 23 -1.131 -1.216 -3.642 1.00 14.11 H new ATOM 0 HB2 LEU A 23 -2.808 -1.173 -5.492 1.00 20.04 H new ATOM 0 HB3 LEU A 23 -1.747 -0.128 -6.415 1.00 20.04 H new ATOM 0 HG LEU A 23 -0.017 -1.951 -6.398 1.00 74.02 H new ATOM 0 HD11 LEU A 23 -0.748 -4.227 -5.808 1.00 23.23 H new ATOM 0 HD12 LEU A 23 -0.781 -3.141 -4.398 1.00 23.23 H new ATOM 0 HD13 LEU A 23 -2.297 -3.576 -5.222 1.00 23.23 H new ATOM 0 HD21 LEU A 23 -1.168 -3.332 -8.080 1.00 62.32 H new ATOM 0 HD22 LEU A 23 -2.730 -2.650 -7.567 1.00 62.32 H new ATOM 0 HD23 LEU A 23 -1.502 -1.600 -8.313 1.00 62.32 H new ATOM 369 N VAL A 24 1.249 -0.678 -4.052 1.00 45.02 N ATOM 370 CA VAL A 24 2.659 -0.379 -4.268 1.00 52.10 C ATOM 371 C VAL A 24 3.043 -0.680 -5.707 1.00 22.11 C ATOM 372 O VAL A 24 2.987 -1.829 -6.146 1.00 75.12 O ATOM 373 CB VAL A 24 3.579 -1.187 -3.327 1.00 42.13 C ATOM 374 CG1 VAL A 24 5.035 -0.783 -3.513 1.00 64.31 C ATOM 375 CG2 VAL A 24 3.160 -1.007 -1.879 1.00 5.31 C ATOM 0 H VAL A 24 1.075 -1.469 -3.433 1.00 45.02 H new ATOM 0 HA VAL A 24 2.795 0.681 -4.051 1.00 52.10 H new ATOM 0 HB VAL A 24 3.481 -2.241 -3.585 1.00 42.13 H new ATOM 0 HG11 VAL A 24 5.663 -1.366 -2.839 1.00 64.31 H new ATOM 0 HG12 VAL A 24 5.336 -0.971 -4.544 1.00 64.31 H new ATOM 0 HG13 VAL A 24 5.150 0.278 -3.289 1.00 64.31 H new ATOM 0 HG21 VAL A 24 3.822 -1.585 -1.234 1.00 5.31 H new ATOM 0 HG22 VAL A 24 3.222 0.048 -1.611 1.00 5.31 H new ATOM 0 HG23 VAL A 24 2.135 -1.354 -1.751 1.00 5.31 H new ATOM 385 N GLN A 25 3.407 0.359 -6.438 1.00 74.50 N ATOM 386 CA GLN A 25 3.817 0.207 -7.824 1.00 62.40 C ATOM 387 C GLN A 25 5.303 -0.091 -7.907 1.00 31.34 C ATOM 388 O GLN A 25 5.748 -0.872 -8.748 1.00 32.31 O ATOM 389 CB GLN A 25 3.491 1.472 -8.617 1.00 44.43 C ATOM 390 CG GLN A 25 2.006 1.678 -8.856 1.00 20.21 C ATOM 391 CD GLN A 25 1.411 0.648 -9.793 1.00 73.34 C ATOM 392 OE1 GLN A 25 1.389 0.838 -11.009 1.00 42.51 O ATOM 393 NE2 GLN A 25 0.932 -0.452 -9.237 1.00 40.43 N ATOM 0 H GLN A 25 3.427 1.319 -6.094 1.00 74.50 H new ATOM 0 HA GLN A 25 3.267 -0.629 -8.256 1.00 62.40 H new ATOM 0 HB2 GLN A 25 3.887 2.336 -8.084 1.00 44.43 H new ATOM 0 HB3 GLN A 25 4.002 1.429 -9.579 1.00 44.43 H new ATOM 0 HG2 GLN A 25 1.481 1.640 -7.902 1.00 20.21 H new ATOM 0 HG3 GLN A 25 1.844 2.674 -9.269 1.00 20.21 H new ATOM 0 HE21 GLN A 25 0.970 -0.570 -8.225 1.00 40.43 H new ATOM 0 HE22 GLN A 25 0.525 -1.183 -9.821 1.00 40.43 H new ATOM 402 N ARG A 26 6.062 0.518 -7.008 1.00 21.13 N ATOM 403 CA ARG A 26 7.498 0.382 -6.996 1.00 13.00 C ATOM 404 C ARG A 26 8.048 0.914 -5.686 1.00 24.20 C ATOM 405 O ARG A 26 7.473 1.820 -5.080 1.00 13.34 O ATOM 406 CB ARG A 26 8.130 1.130 -8.175 1.00 64.13 C ATOM 407 CG ARG A 26 7.882 2.628 -8.154 1.00 44.05 C ATOM 408 CD ARG A 26 8.546 3.317 -9.332 1.00 31.21 C ATOM 409 NE ARG A 26 8.041 2.821 -10.610 1.00 74.53 N ATOM 410 CZ ARG A 26 8.666 2.973 -11.772 1.00 24.50 C ATOM 411 NH1 ARG A 26 9.848 3.581 -11.823 1.00 43.14 N ATOM 412 NH2 ARG A 26 8.115 2.493 -12.881 1.00 72.23 N ATOM 0 H ARG A 26 5.693 1.118 -6.270 1.00 21.13 H new ATOM 0 HA ARG A 26 7.748 -0.675 -7.093 1.00 13.00 H new ATOM 0 HB2 ARG A 26 9.205 0.949 -8.174 1.00 64.13 H new ATOM 0 HB3 ARG A 26 7.739 0.719 -9.106 1.00 64.13 H new ATOM 0 HG2 ARG A 26 6.809 2.821 -8.175 1.00 44.05 H new ATOM 0 HG3 ARG A 26 8.263 3.048 -7.223 1.00 44.05 H new ATOM 0 HD2 ARG A 26 8.376 4.392 -9.267 1.00 31.21 H new ATOM 0 HD3 ARG A 26 9.624 3.162 -9.283 1.00 31.21 H new ATOM 0 HE ARG A 26 7.150 2.325 -10.610 1.00 74.53 H new ATOM 0 HH11 ARG A 26 10.278 3.933 -10.968 1.00 43.14 H new ATOM 0 HH12 ARG A 26 10.324 3.696 -12.718 1.00 43.14 H new ATOM 0 HH21 ARG A 26 7.217 2.011 -12.837 1.00 72.23 H new ATOM 0 HH22 ARG A 26 8.590 2.606 -13.777 1.00 72.23 H new ATOM 426 N VAL A 27 9.137 0.326 -5.255 1.00 31.51 N ATOM 427 CA VAL A 27 9.819 0.743 -4.041 1.00 33.10 C ATOM 428 C VAL A 27 11.092 1.504 -4.400 1.00 44.04 C ATOM 429 O VAL A 27 11.788 1.150 -5.350 1.00 42.14 O ATOM 430 CB VAL A 27 10.174 -0.469 -3.151 1.00 30.22 C ATOM 431 CG1 VAL A 27 10.803 -0.024 -1.837 1.00 24.02 C ATOM 432 CG2 VAL A 27 8.940 -1.321 -2.895 1.00 73.31 C ATOM 0 H VAL A 27 9.581 -0.458 -5.733 1.00 31.51 H new ATOM 0 HA VAL A 27 9.145 1.392 -3.481 1.00 33.10 H new ATOM 0 HB VAL A 27 10.909 -1.073 -3.683 1.00 30.22 H new ATOM 0 HG11 VAL A 27 11.041 -0.899 -1.233 1.00 24.02 H new ATOM 0 HG12 VAL A 27 11.716 0.535 -2.042 1.00 24.02 H new ATOM 0 HG13 VAL A 27 10.102 0.611 -1.295 1.00 24.02 H new ATOM 0 HG21 VAL A 27 9.208 -2.170 -2.267 1.00 73.31 H new ATOM 0 HG22 VAL A 27 8.182 -0.721 -2.391 1.00 73.31 H new ATOM 0 HG23 VAL A 27 8.544 -1.683 -3.844 1.00 73.31 H new ATOM 442 N SER A 28 11.382 2.549 -3.653 1.00 61.44 N ATOM 443 CA SER A 28 12.548 3.369 -3.914 1.00 23.25 C ATOM 444 C SER A 28 13.355 3.546 -2.631 1.00 72.42 C ATOM 445 O SER A 28 13.190 2.783 -1.678 1.00 14.42 O ATOM 446 CB SER A 28 12.116 4.727 -4.484 1.00 1.35 C ATOM 447 OG SER A 28 13.212 5.418 -5.068 1.00 62.23 O ATOM 0 H SER A 28 10.823 2.852 -2.856 1.00 61.44 H new ATOM 0 HA SER A 28 13.181 2.875 -4.651 1.00 23.25 H new ATOM 0 HB2 SER A 28 11.338 4.578 -5.232 1.00 1.35 H new ATOM 0 HB3 SER A 28 11.682 5.335 -3.690 1.00 1.35 H new ATOM 0 HG SER A 28 13.321 6.288 -4.630 1.00 62.23 H new ATOM 453 N ASP A 29 14.225 4.545 -2.622 1.00 75.13 N ATOM 454 CA ASP A 29 15.105 4.819 -1.491 1.00 71.32 C ATOM 455 C ASP A 29 14.309 5.399 -0.339 1.00 31.43 C ATOM 456 O ASP A 29 14.131 6.613 -0.233 1.00 10.55 O ATOM 457 CB ASP A 29 16.223 5.787 -1.887 1.00 42.25 C ATOM 458 CG ASP A 29 16.953 5.351 -3.138 1.00 75.13 C ATOM 459 OD1 ASP A 29 17.942 4.595 -3.030 1.00 41.52 O ATOM 460 OD2 ASP A 29 16.532 5.758 -4.242 1.00 75.23 O ATOM 0 H ASP A 29 14.342 5.192 -3.401 1.00 75.13 H new ATOM 0 HA ASP A 29 15.558 3.878 -1.179 1.00 71.32 H new ATOM 0 HB2 ASP A 29 15.801 6.779 -2.044 1.00 42.25 H new ATOM 0 HB3 ASP A 29 16.935 5.870 -1.066 1.00 42.25 H new ATOM 465 N GLY A 30 13.769 4.505 0.463 1.00 10.53 N ATOM 466 CA GLY A 30 13.018 4.895 1.645 1.00 4.55 C ATOM 467 C GLY A 30 11.623 5.366 1.296 1.00 73.01 C ATOM 468 O GLY A 30 10.874 5.833 2.158 1.00 42.11 O ATOM 0 H GLY A 30 13.835 3.497 0.319 1.00 10.53 H new ATOM 0 HA2 GLY A 30 12.955 4.050 2.331 1.00 4.55 H new ATOM 0 HA3 GLY A 30 13.550 5.690 2.167 1.00 4.55 H new ATOM 472 N LYS A 31 11.276 5.239 0.023 1.00 50.43 N ATOM 473 CA LYS A 31 10.008 5.691 -0.484 1.00 33.42 C ATOM 474 C LYS A 31 9.327 4.591 -1.281 1.00 43.33 C ATOM 475 O LYS A 31 9.958 3.596 -1.637 1.00 71.25 O ATOM 476 CB LYS A 31 10.242 6.903 -1.374 1.00 24.24 C ATOM 477 CG LYS A 31 10.691 8.146 -0.618 1.00 45.41 C ATOM 478 CD LYS A 31 10.917 9.322 -1.556 1.00 5.14 C ATOM 479 CE LYS A 31 12.046 9.047 -2.542 1.00 24.14 C ATOM 480 NZ LYS A 31 13.354 8.840 -1.864 1.00 32.21 N ATOM 0 H LYS A 31 11.877 4.815 -0.684 1.00 50.43 H new ATOM 0 HA LYS A 31 9.360 5.958 0.351 1.00 33.42 H new ATOM 0 HB2 LYS A 31 10.995 6.653 -2.122 1.00 24.24 H new ATOM 0 HB3 LYS A 31 9.322 7.130 -1.912 1.00 24.24 H new ATOM 0 HG2 LYS A 31 9.939 8.412 0.125 1.00 45.41 H new ATOM 0 HG3 LYS A 31 11.612 7.930 -0.076 1.00 45.41 H new ATOM 0 HD2 LYS A 31 9.998 9.532 -2.104 1.00 5.14 H new ATOM 0 HD3 LYS A 31 11.152 10.213 -0.973 1.00 5.14 H new ATOM 0 HE2 LYS A 31 11.802 8.164 -3.132 1.00 24.14 H new ATOM 0 HE3 LYS A 31 12.129 9.882 -3.238 1.00 24.14 H new ATOM 0 HZ1 LYS A 31 14.114 8.826 -2.573 1.00 32.21 H new ATOM 0 HZ2 LYS A 31 13.523 9.615 -1.191 1.00 32.21 H new ATOM 0 HZ3 LYS A 31 13.341 7.934 -1.353 1.00 32.21 H new ATOM 494 N ALA A 32 8.051 4.776 -1.559 1.00 12.35 N ATOM 495 CA ALA A 32 7.291 3.826 -2.354 1.00 22.24 C ATOM 496 C ALA A 32 6.204 4.545 -3.135 1.00 62.22 C ATOM 497 O ALA A 32 5.595 5.489 -2.632 1.00 15.04 O ATOM 498 CB ALA A 32 6.683 2.754 -1.463 1.00 4.45 C ATOM 0 H ALA A 32 7.513 5.583 -1.243 1.00 12.35 H new ATOM 0 HA ALA A 32 7.967 3.344 -3.060 1.00 22.24 H new ATOM 0 HB1 ALA A 32 6.117 2.051 -2.074 1.00 4.45 H new ATOM 0 HB2 ALA A 32 7.478 2.222 -0.940 1.00 4.45 H new ATOM 0 HB3 ALA A 32 6.018 3.220 -0.736 1.00 4.45 H new ATOM 504 N ALA A 33 5.967 4.112 -4.364 1.00 25.13 N ATOM 505 CA ALA A 33 4.959 4.736 -5.204 1.00 31.42 C ATOM 506 C ALA A 33 3.615 4.060 -4.991 1.00 50.25 C ATOM 507 O ALA A 33 3.416 2.913 -5.395 1.00 73.25 O ATOM 508 CB ALA A 33 5.366 4.672 -6.667 1.00 13.21 C ATOM 0 H ALA A 33 6.459 3.332 -4.800 1.00 25.13 H new ATOM 0 HA ALA A 33 4.871 5.786 -4.924 1.00 31.42 H new ATOM 0 HB1 ALA A 33 4.598 5.145 -7.279 1.00 13.21 H new ATOM 0 HB2 ALA A 33 6.312 5.195 -6.805 1.00 13.21 H new ATOM 0 HB3 ALA A 33 5.480 3.631 -6.968 1.00 13.21 H new ATOM 514 N VAL A 34 2.707 4.763 -4.335 1.00 10.11 N ATOM 515 CA VAL A 34 1.401 4.216 -4.015 1.00 21.30 C ATOM 516 C VAL A 34 0.378 4.625 -5.063 1.00 52.51 C ATOM 517 O VAL A 34 0.180 5.812 -5.319 1.00 12.11 O ATOM 518 CB VAL A 34 0.926 4.684 -2.624 1.00 74.11 C ATOM 519 CG1 VAL A 34 -0.433 4.096 -2.289 1.00 13.43 C ATOM 520 CG2 VAL A 34 1.943 4.309 -1.562 1.00 51.34 C ATOM 0 H VAL A 34 2.853 5.720 -4.012 1.00 10.11 H new ATOM 0 HA VAL A 34 1.494 3.130 -4.006 1.00 21.30 H new ATOM 0 HB VAL A 34 0.830 5.770 -2.646 1.00 74.11 H new ATOM 0 HG11 VAL A 34 -0.746 4.441 -1.303 1.00 13.43 H new ATOM 0 HG12 VAL A 34 -1.162 4.416 -3.034 1.00 13.43 H new ATOM 0 HG13 VAL A 34 -0.369 3.008 -2.289 1.00 13.43 H new ATOM 0 HG21 VAL A 34 1.592 4.647 -0.587 1.00 51.34 H new ATOM 0 HG22 VAL A 34 2.071 3.227 -1.547 1.00 51.34 H new ATOM 0 HG23 VAL A 34 2.898 4.784 -1.788 1.00 51.34 H new ATOM 530 N LEU A 35 -0.249 3.638 -5.679 1.00 4.24 N ATOM 531 CA LEU A 35 -1.279 3.890 -6.667 1.00 71.43 C ATOM 532 C LEU A 35 -2.656 3.808 -6.034 1.00 73.13 C ATOM 533 O LEU A 35 -3.039 2.778 -5.474 1.00 70.13 O ATOM 534 CB LEU A 35 -1.193 2.874 -7.804 1.00 41.33 C ATOM 535 CG LEU A 35 -2.105 3.150 -8.996 1.00 42.32 C ATOM 536 CD1 LEU A 35 -1.741 4.467 -9.667 1.00 2.21 C ATOM 537 CD2 LEU A 35 -2.044 2.002 -9.993 1.00 75.23 C ATOM 0 H LEU A 35 -0.060 2.650 -5.510 1.00 4.24 H new ATOM 0 HA LEU A 35 -1.122 4.893 -7.065 1.00 71.43 H new ATOM 0 HB2 LEU A 35 -0.163 2.835 -8.157 1.00 41.33 H new ATOM 0 HB3 LEU A 35 -1.431 1.887 -7.406 1.00 41.33 H new ATOM 0 HG LEU A 35 -3.128 3.232 -8.629 1.00 42.32 H new ATOM 0 HD11 LEU A 35 -2.406 4.640 -10.513 1.00 2.21 H new ATOM 0 HD12 LEU A 35 -1.846 5.282 -8.950 1.00 2.21 H new ATOM 0 HD13 LEU A 35 -0.710 4.424 -10.018 1.00 2.21 H new ATOM 0 HD21 LEU A 35 -2.701 2.217 -10.836 1.00 75.23 H new ATOM 0 HD22 LEU A 35 -1.021 1.885 -10.351 1.00 75.23 H new ATOM 0 HD23 LEU A 35 -2.366 1.081 -9.507 1.00 75.23 H new ATOM 549 N PHE A 36 -3.384 4.900 -6.106 1.00 11.30 N ATOM 550 CA PHE A 36 -4.775 4.907 -5.707 1.00 50.44 C ATOM 551 C PHE A 36 -5.636 4.648 -6.929 1.00 14.30 C ATOM 552 O PHE A 36 -5.331 5.129 -8.021 1.00 43.15 O ATOM 553 CB PHE A 36 -5.159 6.240 -5.067 1.00 50.22 C ATOM 554 CG PHE A 36 -4.372 6.567 -3.830 1.00 20.14 C ATOM 555 CD1 PHE A 36 -4.740 6.042 -2.602 1.00 20.24 C ATOM 556 CD2 PHE A 36 -3.265 7.399 -3.896 1.00 13.40 C ATOM 557 CE1 PHE A 36 -4.019 6.340 -1.462 1.00 73.12 C ATOM 558 CE2 PHE A 36 -2.540 7.702 -2.760 1.00 40.35 C ATOM 559 CZ PHE A 36 -2.917 7.173 -1.541 1.00 42.02 C ATOM 0 H PHE A 36 -3.035 5.799 -6.439 1.00 11.30 H new ATOM 0 HA PHE A 36 -4.935 4.125 -4.964 1.00 50.44 H new ATOM 0 HB2 PHE A 36 -5.018 7.037 -5.797 1.00 50.22 H new ATOM 0 HB3 PHE A 36 -6.220 6.220 -4.817 1.00 50.22 H new ATOM 0 HD1 PHE A 36 -5.600 5.392 -2.535 1.00 20.24 H new ATOM 0 HD2 PHE A 36 -2.966 7.815 -4.847 1.00 13.40 H new ATOM 0 HE1 PHE A 36 -4.315 5.923 -0.511 1.00 73.12 H new ATOM 0 HE2 PHE A 36 -1.680 8.352 -2.825 1.00 40.35 H new ATOM 0 HZ PHE A 36 -2.353 7.409 -0.651 1.00 42.02 H new ATOM 569 N GLU A 37 -6.696 3.885 -6.745 1.00 14.32 N ATOM 570 CA GLU A 37 -7.550 3.483 -7.848 1.00 20.32 C ATOM 571 C GLU A 37 -9.007 3.513 -7.416 1.00 32.21 C ATOM 572 O GLU A 37 -9.351 3.031 -6.334 1.00 14.25 O ATOM 573 CB GLU A 37 -7.148 2.081 -8.336 1.00 33.22 C ATOM 574 CG GLU A 37 -8.024 1.512 -9.449 1.00 24.11 C ATOM 575 CD GLU A 37 -9.158 0.647 -8.929 1.00 10.01 C ATOM 576 OE1 GLU A 37 -8.889 -0.497 -8.501 1.00 21.33 O ATOM 577 OE2 GLU A 37 -10.320 1.102 -8.943 1.00 2.11 O ATOM 0 H GLU A 37 -6.989 3.528 -5.835 1.00 14.32 H new ATOM 0 HA GLU A 37 -7.426 4.183 -8.675 1.00 20.32 H new ATOM 0 HB2 GLU A 37 -6.117 2.116 -8.687 1.00 33.22 H new ATOM 0 HB3 GLU A 37 -7.173 1.396 -7.488 1.00 33.22 H new ATOM 0 HG2 GLU A 37 -8.439 2.334 -10.032 1.00 24.11 H new ATOM 0 HG3 GLU A 37 -7.405 0.922 -10.125 1.00 24.11 H new ATOM 584 N ASN A 38 -9.848 4.104 -8.248 1.00 60.32 N ATOM 585 CA ASN A 38 -11.278 4.134 -7.992 1.00 2.32 C ATOM 586 C ASN A 38 -12.048 4.101 -9.309 1.00 71.21 C ATOM 587 O ASN A 38 -12.617 5.106 -9.741 1.00 51.05 O ATOM 588 CB ASN A 38 -11.654 5.378 -7.177 1.00 52.11 C ATOM 589 CG ASN A 38 -13.087 5.343 -6.684 1.00 52.31 C ATOM 590 OD1 ASN A 38 -13.646 4.275 -6.439 1.00 51.13 O ATOM 591 ND2 ASN A 38 -13.685 6.511 -6.520 1.00 3.01 N ATOM 0 H ASN A 38 -9.564 4.571 -9.109 1.00 60.32 H new ATOM 0 HA ASN A 38 -11.547 3.253 -7.410 1.00 2.32 H new ATOM 0 HB2 ASN A 38 -10.982 5.465 -6.323 1.00 52.11 H new ATOM 0 HB3 ASN A 38 -11.507 6.267 -7.790 1.00 52.11 H new ATOM 0 HD21 ASN A 38 -14.645 6.549 -6.179 1.00 3.01 H new ATOM 0 HD22 ASN A 38 -13.186 7.374 -6.735 1.00 3.01 H new ATOM 598 N GLY A 39 -12.015 2.948 -9.965 1.00 54.15 N ATOM 599 CA GLY A 39 -12.726 2.776 -11.220 1.00 3.24 C ATOM 600 C GLY A 39 -11.977 3.372 -12.396 1.00 51.14 C ATOM 601 O GLY A 39 -11.201 2.683 -13.064 1.00 23.10 O ATOM 0 H GLY A 39 -11.505 2.123 -9.649 1.00 54.15 H new ATOM 0 HA2 GLY A 39 -12.890 1.713 -11.398 1.00 3.24 H new ATOM 0 HA3 GLY A 39 -13.708 3.242 -11.145 1.00 3.24 H new ATOM 605 N ASN A 40 -12.215 4.650 -12.649 1.00 41.32 N ATOM 606 CA ASN A 40 -11.534 5.367 -13.723 1.00 44.15 C ATOM 607 C ASN A 40 -10.468 6.280 -13.140 1.00 30.31 C ATOM 608 O ASN A 40 -9.531 6.688 -13.823 1.00 2.32 O ATOM 609 CB ASN A 40 -12.543 6.192 -14.527 1.00 14.15 C ATOM 610 CG ASN A 40 -11.916 6.918 -15.708 1.00 51.11 C ATOM 611 OD1 ASN A 40 -11.826 6.374 -16.807 1.00 24.32 O ATOM 612 ND2 ASN A 40 -11.505 8.161 -15.500 1.00 31.21 N ATOM 0 H ASN A 40 -12.879 5.218 -12.122 1.00 41.32 H new ATOM 0 HA ASN A 40 -11.061 4.643 -14.386 1.00 44.15 H new ATOM 0 HB2 ASN A 40 -13.333 5.535 -14.890 1.00 14.15 H new ATOM 0 HB3 ASN A 40 -13.013 6.922 -13.868 1.00 14.15 H new ATOM 0 HD21 ASN A 40 -11.098 8.698 -16.266 1.00 31.21 H new ATOM 0 HD22 ASN A 40 -11.596 8.580 -14.574 1.00 31.21 H new ATOM 619 N TRP A 41 -10.628 6.592 -11.865 1.00 70.24 N ATOM 620 CA TRP A 41 -9.726 7.505 -11.181 1.00 42.03 C ATOM 621 C TRP A 41 -8.462 6.798 -10.727 1.00 13.43 C ATOM 622 O TRP A 41 -8.509 5.727 -10.119 1.00 55.15 O ATOM 623 CB TRP A 41 -10.440 8.157 -9.997 1.00 52.42 C ATOM 624 CG TRP A 41 -9.575 9.037 -9.151 1.00 34.10 C ATOM 625 CD1 TRP A 41 -9.165 10.303 -9.445 1.00 75.51 C ATOM 626 CD2 TRP A 41 -9.032 8.729 -7.862 1.00 3.03 C ATOM 627 NE1 TRP A 41 -8.397 10.800 -8.423 1.00 53.33 N ATOM 628 CE2 TRP A 41 -8.301 9.854 -7.440 1.00 33.30 C ATOM 629 CE3 TRP A 41 -9.088 7.613 -7.026 1.00 63.54 C ATOM 630 CZ2 TRP A 41 -7.637 9.896 -6.219 1.00 22.25 C ATOM 631 CZ3 TRP A 41 -8.431 7.656 -5.812 1.00 45.21 C ATOM 632 CH2 TRP A 41 -7.712 8.790 -5.419 1.00 5.21 C ATOM 0 H TRP A 41 -11.378 6.225 -11.280 1.00 70.24 H new ATOM 0 HA TRP A 41 -9.429 8.283 -11.885 1.00 42.03 H new ATOM 0 HB2 TRP A 41 -11.275 8.747 -10.374 1.00 52.42 H new ATOM 0 HB3 TRP A 41 -10.862 7.373 -9.368 1.00 52.42 H new ATOM 0 HD1 TRP A 41 -9.409 10.837 -10.351 1.00 75.51 H new ATOM 0 HE1 TRP A 41 -7.967 11.725 -8.400 1.00 53.33 H new ATOM 0 HE3 TRP A 41 -9.636 6.731 -7.323 1.00 63.54 H new ATOM 0 HZ2 TRP A 41 -7.082 10.771 -5.914 1.00 22.25 H new ATOM 0 HZ3 TRP A 41 -8.473 6.800 -5.155 1.00 45.21 H new ATOM 0 HH2 TRP A 41 -7.206 8.792 -4.465 1.00 5.21 H new ATOM 643 N ASP A 42 -7.347 7.428 -11.029 1.00 41.02 N ATOM 644 CA ASP A 42 -6.028 6.928 -10.655 1.00 60.44 C ATOM 645 C ASP A 42 -5.251 8.030 -9.963 1.00 1.42 C ATOM 646 O ASP A 42 -5.481 9.213 -10.218 1.00 15.13 O ATOM 647 CB ASP A 42 -5.229 6.459 -11.879 1.00 22.14 C ATOM 648 CG ASP A 42 -5.739 5.170 -12.492 1.00 72.54 C ATOM 649 OD1 ASP A 42 -6.708 5.220 -13.277 1.00 25.12 O ATOM 650 OD2 ASP A 42 -5.153 4.102 -12.212 1.00 34.11 O ATOM 0 H ASP A 42 -7.323 8.308 -11.544 1.00 41.02 H new ATOM 0 HA ASP A 42 -6.172 6.077 -9.990 1.00 60.44 H new ATOM 0 HB2 ASP A 42 -5.251 7.243 -12.636 1.00 22.14 H new ATOM 0 HB3 ASP A 42 -4.187 6.324 -11.590 1.00 22.14 H new ATOM 655 N LYS A 43 -4.331 7.648 -9.097 1.00 60.23 N ATOM 656 CA LYS A 43 -3.497 8.613 -8.400 1.00 15.13 C ATOM 657 C LYS A 43 -2.214 7.949 -7.918 1.00 62.42 C ATOM 658 O LYS A 43 -2.216 7.231 -6.922 1.00 32.04 O ATOM 659 CB LYS A 43 -4.256 9.220 -7.213 1.00 2.43 C ATOM 660 CG LYS A 43 -3.539 10.394 -6.566 1.00 23.11 C ATOM 661 CD LYS A 43 -4.313 10.937 -5.377 1.00 21.45 C ATOM 662 CE LYS A 43 -3.673 12.200 -4.821 1.00 53.52 C ATOM 663 NZ LYS A 43 -3.765 13.334 -5.777 1.00 25.33 N ATOM 0 H LYS A 43 -4.141 6.675 -8.858 1.00 60.23 H new ATOM 0 HA LYS A 43 -3.240 9.413 -9.094 1.00 15.13 H new ATOM 0 HB2 LYS A 43 -5.239 9.547 -7.551 1.00 2.43 H new ATOM 0 HB3 LYS A 43 -4.418 8.446 -6.463 1.00 2.43 H new ATOM 0 HG2 LYS A 43 -2.546 10.081 -6.242 1.00 23.11 H new ATOM 0 HG3 LYS A 43 -3.399 11.186 -7.302 1.00 23.11 H new ATOM 0 HD2 LYS A 43 -5.339 11.150 -5.677 1.00 21.45 H new ATOM 0 HD3 LYS A 43 -4.360 10.178 -4.596 1.00 21.45 H new ATOM 0 HE2 LYS A 43 -4.161 12.473 -3.886 1.00 53.52 H new ATOM 0 HE3 LYS A 43 -2.626 12.005 -4.589 1.00 53.52 H new ATOM 0 HZ1 LYS A 43 -3.539 14.222 -5.285 1.00 25.33 H new ATOM 0 HZ2 LYS A 43 -3.090 13.188 -6.555 1.00 25.33 H new ATOM 0 HZ3 LYS A 43 -4.730 13.387 -6.161 1.00 25.33 H new ATOM 677 N LEU A 44 -1.133 8.163 -8.646 1.00 62.45 N ATOM 678 CA LEU A 44 0.155 7.603 -8.269 1.00 72.41 C ATOM 679 C LEU A 44 0.961 8.620 -7.471 1.00 74.34 C ATOM 680 O LEU A 44 1.475 9.593 -8.025 1.00 63.44 O ATOM 681 CB LEU A 44 0.943 7.170 -9.508 1.00 15.15 C ATOM 682 CG LEU A 44 2.292 6.512 -9.215 1.00 40.33 C ATOM 683 CD1 LEU A 44 2.099 5.209 -8.458 1.00 41.52 C ATOM 684 CD2 LEU A 44 3.059 6.272 -10.506 1.00 35.23 C ATOM 0 H LEU A 44 -1.120 8.720 -9.501 1.00 62.45 H new ATOM 0 HA LEU A 44 -0.025 6.725 -7.648 1.00 72.41 H new ATOM 0 HB2 LEU A 44 0.333 6.474 -10.084 1.00 15.15 H new ATOM 0 HB3 LEU A 44 1.110 8.044 -10.138 1.00 15.15 H new ATOM 0 HG LEU A 44 2.875 7.188 -8.589 1.00 40.33 H new ATOM 0 HD11 LEU A 44 3.070 4.756 -8.259 1.00 41.52 H new ATOM 0 HD12 LEU A 44 1.592 5.408 -7.514 1.00 41.52 H new ATOM 0 HD13 LEU A 44 1.496 4.526 -9.057 1.00 41.52 H new ATOM 0 HD21 LEU A 44 4.016 5.803 -10.279 1.00 35.23 H new ATOM 0 HD22 LEU A 44 2.480 5.617 -11.157 1.00 35.23 H new ATOM 0 HD23 LEU A 44 3.231 7.223 -11.009 1.00 35.23 H new ATOM 696 N VAL A 45 1.064 8.394 -6.175 1.00 50.21 N ATOM 697 CA VAL A 45 1.779 9.308 -5.299 1.00 23.13 C ATOM 698 C VAL A 45 2.834 8.561 -4.497 1.00 15.31 C ATOM 699 O VAL A 45 2.539 7.558 -3.848 1.00 52.24 O ATOM 700 CB VAL A 45 0.828 10.040 -4.327 1.00 11.42 C ATOM 701 CG1 VAL A 45 1.596 11.026 -3.458 1.00 1.34 C ATOM 702 CG2 VAL A 45 -0.272 10.754 -5.092 1.00 31.04 C ATOM 0 H VAL A 45 0.661 7.584 -5.703 1.00 50.21 H new ATOM 0 HA VAL A 45 2.256 10.052 -5.937 1.00 23.13 H new ATOM 0 HB VAL A 45 0.370 9.295 -3.676 1.00 11.42 H new ATOM 0 HG11 VAL A 45 0.905 11.530 -2.782 1.00 1.34 H new ATOM 0 HG12 VAL A 45 2.347 10.491 -2.877 1.00 1.34 H new ATOM 0 HG13 VAL A 45 2.086 11.765 -4.092 1.00 1.34 H new ATOM 0 HG21 VAL A 45 -0.932 11.264 -4.390 1.00 31.04 H new ATOM 0 HG22 VAL A 45 0.171 11.484 -5.769 1.00 31.04 H new ATOM 0 HG23 VAL A 45 -0.846 10.027 -5.667 1.00 31.04 H new ATOM 712 N THR A 46 4.062 9.039 -4.566 1.00 12.24 N ATOM 713 CA THR A 46 5.147 8.452 -3.808 1.00 62.34 C ATOM 714 C THR A 46 5.075 8.894 -2.349 1.00 22.12 C ATOM 715 O THR A 46 4.913 10.080 -2.051 1.00 44.31 O ATOM 716 CB THR A 46 6.508 8.864 -4.386 1.00 21.34 C ATOM 717 OG1 THR A 46 6.437 8.907 -5.819 1.00 21.50 O ATOM 718 CG2 THR A 46 7.602 7.892 -3.965 1.00 2.34 C ATOM 0 H THR A 46 4.332 9.836 -5.142 1.00 12.24 H new ATOM 0 HA THR A 46 5.046 7.369 -3.871 1.00 62.34 H new ATOM 0 HB THR A 46 6.753 9.852 -3.997 1.00 21.34 H new ATOM 0 HG1 THR A 46 7.308 9.172 -6.182 1.00 21.50 H new ATOM 0 HG21 THR A 46 8.554 8.210 -4.390 1.00 2.34 H new ATOM 0 HG22 THR A 46 7.677 7.877 -2.878 1.00 2.34 H new ATOM 0 HG23 THR A 46 7.359 6.893 -4.326 1.00 2.34 H new ATOM 726 N PHE A 47 5.185 7.935 -1.455 1.00 13.00 N ATOM 727 CA PHE A 47 5.216 8.203 -0.026 1.00 12.14 C ATOM 728 C PHE A 47 6.476 7.594 0.568 1.00 41.03 C ATOM 729 O PHE A 47 7.315 7.075 -0.164 1.00 2.23 O ATOM 730 CB PHE A 47 3.980 7.626 0.674 1.00 2.03 C ATOM 731 CG PHE A 47 2.693 8.327 0.333 1.00 65.50 C ATOM 732 CD1 PHE A 47 2.373 9.538 0.924 1.00 22.25 C ATOM 733 CD2 PHE A 47 1.801 7.771 -0.570 1.00 65.50 C ATOM 734 CE1 PHE A 47 1.187 10.182 0.624 1.00 13.33 C ATOM 735 CE2 PHE A 47 0.614 8.411 -0.877 1.00 4.02 C ATOM 736 CZ PHE A 47 0.306 9.618 -0.279 1.00 10.14 C ATOM 0 H PHE A 47 5.256 6.946 -1.694 1.00 13.00 H new ATOM 0 HA PHE A 47 5.215 9.282 0.126 1.00 12.14 H new ATOM 0 HB2 PHE A 47 3.887 6.572 0.412 1.00 2.03 H new ATOM 0 HB3 PHE A 47 4.132 7.674 1.752 1.00 2.03 H new ATOM 0 HD1 PHE A 47 3.059 9.985 1.628 1.00 22.25 H new ATOM 0 HD2 PHE A 47 2.035 6.827 -1.039 1.00 65.50 H new ATOM 0 HE1 PHE A 47 0.949 11.125 1.095 1.00 13.33 H new ATOM 0 HE2 PHE A 47 -0.072 7.968 -1.584 1.00 4.02 H new ATOM 0 HZ PHE A 47 -0.621 10.119 -0.517 1.00 10.14 H new ATOM 746 N ARG A 48 6.611 7.649 1.882 1.00 45.54 N ATOM 747 CA ARG A 48 7.772 7.078 2.542 1.00 13.55 C ATOM 748 C ARG A 48 7.417 5.740 3.170 1.00 11.35 C ATOM 749 O ARG A 48 6.245 5.428 3.361 1.00 24.03 O ATOM 750 CB ARG A 48 8.302 8.039 3.601 1.00 2.12 C ATOM 751 CG ARG A 48 8.716 9.384 3.036 1.00 54.53 C ATOM 752 CD ARG A 48 9.145 10.337 4.137 1.00 41.51 C ATOM 753 NE ARG A 48 8.366 11.570 4.120 1.00 14.35 N ATOM 754 CZ ARG A 48 8.136 12.318 5.195 1.00 2.41 C ATOM 755 NH1 ARG A 48 8.633 11.965 6.377 1.00 51.52 N ATOM 756 NH2 ARG A 48 7.414 13.429 5.090 1.00 13.45 N ATOM 0 H ARG A 48 5.934 8.081 2.511 1.00 45.54 H new ATOM 0 HA ARG A 48 8.552 6.915 1.798 1.00 13.55 H new ATOM 0 HB2 ARG A 48 7.535 8.192 4.360 1.00 2.12 H new ATOM 0 HB3 ARG A 48 9.157 7.583 4.100 1.00 2.12 H new ATOM 0 HG2 ARG A 48 9.536 9.248 2.331 1.00 54.53 H new ATOM 0 HG3 ARG A 48 7.885 9.818 2.480 1.00 54.53 H new ATOM 0 HD2 ARG A 48 9.032 9.849 5.105 1.00 41.51 H new ATOM 0 HD3 ARG A 48 10.203 10.574 4.021 1.00 41.51 H new ATOM 0 HE ARG A 48 7.974 11.877 3.230 1.00 14.35 H new ATOM 0 HH11 ARG A 48 9.194 11.117 6.462 1.00 51.52 H new ATOM 0 HH12 ARG A 48 8.454 12.542 7.199 1.00 51.52 H new ATOM 0 HH21 ARG A 48 7.036 13.708 4.185 1.00 13.45 H new ATOM 0 HH22 ARG A 48 7.238 14.003 5.915 1.00 13.45 H new ATOM 770 N LEU A 49 8.433 4.966 3.515 1.00 10.34 N ATOM 771 CA LEU A 49 8.231 3.623 4.051 1.00 65.24 C ATOM 772 C LEU A 49 7.839 3.692 5.517 1.00 44.52 C ATOM 773 O LEU A 49 7.273 2.752 6.071 1.00 23.04 O ATOM 774 CB LEU A 49 9.495 2.773 3.880 1.00 21.14 C ATOM 775 CG LEU A 49 9.927 2.519 2.432 1.00 24.23 C ATOM 776 CD1 LEU A 49 11.194 1.677 2.394 1.00 51.41 C ATOM 777 CD2 LEU A 49 8.815 1.839 1.648 1.00 75.15 C ATOM 0 H LEU A 49 9.411 5.243 3.434 1.00 10.34 H new ATOM 0 HA LEU A 49 7.422 3.152 3.493 1.00 65.24 H new ATOM 0 HB2 LEU A 49 10.315 3.263 4.405 1.00 21.14 H new ATOM 0 HB3 LEU A 49 9.334 1.811 4.367 1.00 21.14 H new ATOM 0 HG LEU A 49 10.135 3.482 1.965 1.00 24.23 H new ATOM 0 HD11 LEU A 49 11.486 1.506 1.358 1.00 51.41 H new ATOM 0 HD12 LEU A 49 11.995 2.201 2.916 1.00 51.41 H new ATOM 0 HD13 LEU A 49 11.009 0.720 2.881 1.00 51.41 H new ATOM 0 HD21 LEU A 49 9.144 1.669 0.623 1.00 75.15 H new ATOM 0 HD22 LEU A 49 8.572 0.884 2.115 1.00 75.15 H new ATOM 0 HD23 LEU A 49 7.931 2.476 1.644 1.00 75.15 H new ATOM 789 N SER A 50 8.159 4.812 6.143 1.00 3.41 N ATOM 790 CA SER A 50 7.763 5.063 7.514 1.00 4.33 C ATOM 791 C SER A 50 6.391 5.725 7.550 1.00 32.35 C ATOM 792 O SER A 50 5.721 5.745 8.584 1.00 12.52 O ATOM 793 CB SER A 50 8.802 5.953 8.186 1.00 34.23 C ATOM 794 OG SER A 50 9.238 6.968 7.296 1.00 33.41 O ATOM 0 H SER A 50 8.697 5.567 5.717 1.00 3.41 H new ATOM 0 HA SER A 50 7.702 4.118 8.053 1.00 4.33 H new ATOM 0 HB2 SER A 50 8.377 6.405 9.082 1.00 34.23 H new ATOM 0 HB3 SER A 50 9.653 5.351 8.505 1.00 34.23 H new ATOM 0 HG SER A 50 9.903 7.532 7.743 1.00 33.41 H new ATOM 800 N GLU A 51 5.978 6.251 6.402 1.00 2.22 N ATOM 801 CA GLU A 51 4.679 6.911 6.288 1.00 30.31 C ATOM 802 C GLU A 51 3.622 5.922 5.807 1.00 44.51 C ATOM 803 O GLU A 51 2.437 6.246 5.717 1.00 3.11 O ATOM 804 CB GLU A 51 4.760 8.102 5.327 1.00 44.24 C ATOM 805 CG GLU A 51 5.759 9.171 5.751 1.00 42.13 C ATOM 806 CD GLU A 51 5.427 9.805 7.091 1.00 53.50 C ATOM 807 OE1 GLU A 51 4.697 10.819 7.111 1.00 23.11 O ATOM 808 OE2 GLU A 51 5.908 9.300 8.125 1.00 62.02 O ATOM 0 H GLU A 51 6.521 6.234 5.539 1.00 2.22 H new ATOM 0 HA GLU A 51 4.395 7.279 7.274 1.00 30.31 H new ATOM 0 HB2 GLU A 51 5.031 7.739 4.336 1.00 44.24 H new ATOM 0 HB3 GLU A 51 3.772 8.555 5.242 1.00 44.24 H new ATOM 0 HG2 GLU A 51 6.754 8.729 5.802 1.00 42.13 H new ATOM 0 HG3 GLU A 51 5.795 9.948 4.988 1.00 42.13 H new ATOM 815 N LEU A 52 4.062 4.712 5.503 1.00 41.23 N ATOM 816 CA LEU A 52 3.179 3.673 5.015 1.00 72.02 C ATOM 817 C LEU A 52 3.222 2.455 5.928 1.00 13.14 C ATOM 818 O LEU A 52 4.179 2.262 6.681 1.00 60.31 O ATOM 819 CB LEU A 52 3.588 3.261 3.602 1.00 21.32 C ATOM 820 CG LEU A 52 3.423 4.337 2.528 1.00 12.22 C ATOM 821 CD1 LEU A 52 4.013 3.860 1.212 1.00 22.32 C ATOM 822 CD2 LEU A 52 1.955 4.700 2.350 1.00 63.25 C ATOM 0 H LEU A 52 5.037 4.426 5.588 1.00 41.23 H new ATOM 0 HA LEU A 52 2.163 4.068 5.002 1.00 72.02 H new ATOM 0 HB2 LEU A 52 4.632 2.949 3.621 1.00 21.32 H new ATOM 0 HB3 LEU A 52 3.000 2.390 3.312 1.00 21.32 H new ATOM 0 HG LEU A 52 3.959 5.230 2.850 1.00 12.22 H new ATOM 0 HD11 LEU A 52 3.889 4.635 0.456 1.00 22.32 H new ATOM 0 HD12 LEU A 52 5.074 3.648 1.344 1.00 22.32 H new ATOM 0 HD13 LEU A 52 3.500 2.954 0.890 1.00 22.32 H new ATOM 0 HD21 LEU A 52 1.860 5.467 1.581 1.00 63.25 H new ATOM 0 HD22 LEU A 52 1.395 3.814 2.050 1.00 63.25 H new ATOM 0 HD23 LEU A 52 1.557 5.079 3.291 1.00 63.25 H new ATOM 834 N GLU A 53 2.184 1.643 5.859 1.00 31.12 N ATOM 835 CA GLU A 53 2.141 0.400 6.600 1.00 51.42 C ATOM 836 C GLU A 53 1.528 -0.689 5.729 1.00 43.32 C ATOM 837 O GLU A 53 0.424 -0.518 5.205 1.00 50.02 O ATOM 838 CB GLU A 53 1.330 0.572 7.886 1.00 24.12 C ATOM 839 CG GLU A 53 1.471 -0.588 8.856 1.00 40.14 C ATOM 840 CD GLU A 53 2.888 -0.741 9.378 1.00 41.11 C ATOM 841 OE1 GLU A 53 3.689 -1.458 8.743 1.00 13.14 O ATOM 842 OE2 GLU A 53 3.207 -0.141 10.426 1.00 62.22 O ATOM 0 H GLU A 53 1.355 1.825 5.293 1.00 31.12 H new ATOM 0 HA GLU A 53 3.156 0.112 6.873 1.00 51.42 H new ATOM 0 HB2 GLU A 53 1.644 1.490 8.383 1.00 24.12 H new ATOM 0 HB3 GLU A 53 0.278 0.693 7.628 1.00 24.12 H new ATOM 0 HG2 GLU A 53 0.792 -0.440 9.696 1.00 40.14 H new ATOM 0 HG3 GLU A 53 1.168 -1.510 8.360 1.00 40.14 H new ATOM 849 N ALA A 54 2.261 -1.782 5.544 1.00 1.40 N ATOM 850 CA ALA A 54 1.783 -2.905 4.747 1.00 62.53 C ATOM 851 C ALA A 54 0.533 -3.513 5.369 1.00 63.53 C ATOM 852 O ALA A 54 0.485 -3.764 6.575 1.00 45.44 O ATOM 853 CB ALA A 54 2.875 -3.958 4.605 1.00 34.15 C ATOM 0 H ALA A 54 3.193 -1.914 5.938 1.00 1.40 H new ATOM 0 HA ALA A 54 1.525 -2.536 3.754 1.00 62.53 H new ATOM 0 HB1 ALA A 54 2.503 -4.790 4.007 1.00 34.15 H new ATOM 0 HB2 ALA A 54 3.743 -3.518 4.114 1.00 34.15 H new ATOM 0 HB3 ALA A 54 3.162 -4.320 5.592 1.00 34.15 H new ATOM 859 N VAL A 55 -0.479 -3.731 4.548 1.00 4.41 N ATOM 860 CA VAL A 55 -1.742 -4.259 5.031 1.00 33.43 C ATOM 861 C VAL A 55 -1.861 -5.742 4.682 1.00 63.35 C ATOM 862 O VAL A 55 -0.890 -6.372 4.255 1.00 21.53 O ATOM 863 CB VAL A 55 -2.947 -3.485 4.438 1.00 13.34 C ATOM 864 CG1 VAL A 55 -4.161 -3.577 5.352 1.00 64.32 C ATOM 865 CG2 VAL A 55 -2.587 -2.032 4.190 1.00 33.24 C ATOM 0 H VAL A 55 -0.451 -3.551 3.544 1.00 4.41 H new ATOM 0 HA VAL A 55 -1.759 -4.136 6.114 1.00 33.43 H new ATOM 0 HB VAL A 55 -3.200 -3.948 3.484 1.00 13.34 H new ATOM 0 HG11 VAL A 55 -4.991 -3.025 4.911 1.00 64.32 H new ATOM 0 HG12 VAL A 55 -4.445 -4.622 5.476 1.00 64.32 H new ATOM 0 HG13 VAL A 55 -3.917 -3.150 6.325 1.00 64.32 H new ATOM 0 HG21 VAL A 55 -3.448 -1.510 3.774 1.00 33.24 H new ATOM 0 HG22 VAL A 55 -2.298 -1.563 5.131 1.00 33.24 H new ATOM 0 HG23 VAL A 55 -1.756 -1.978 3.487 1.00 33.24 H new ATOM 875 N LYS A 56 -3.049 -6.284 4.881 1.00 5.05 N ATOM 876 CA LYS A 56 -3.345 -7.679 4.610 1.00 20.24 C ATOM 877 C LYS A 56 -3.201 -8.015 3.127 1.00 53.21 C ATOM 878 O LYS A 56 -3.337 -7.146 2.261 1.00 44.11 O ATOM 879 CB LYS A 56 -4.785 -7.973 5.023 1.00 52.14 C ATOM 880 CG LYS A 56 -5.789 -7.132 4.244 1.00 41.14 C ATOM 881 CD LYS A 56 -7.216 -7.620 4.399 1.00 13.12 C ATOM 882 CE LYS A 56 -7.738 -7.419 5.807 1.00 13.00 C ATOM 883 NZ LYS A 56 -9.209 -7.599 5.863 1.00 2.01 N ATOM 0 H LYS A 56 -3.847 -5.760 5.241 1.00 5.05 H new ATOM 0 HA LYS A 56 -2.635 -8.283 5.175 1.00 20.24 H new ATOM 0 HB2 LYS A 56 -4.998 -9.030 4.864 1.00 52.14 H new ATOM 0 HB3 LYS A 56 -4.902 -7.781 6.089 1.00 52.14 H new ATOM 0 HG2 LYS A 56 -5.726 -6.097 4.580 1.00 41.14 H new ATOM 0 HG3 LYS A 56 -5.520 -7.141 3.188 1.00 41.14 H new ATOM 0 HD2 LYS A 56 -7.858 -7.090 3.696 1.00 13.12 H new ATOM 0 HD3 LYS A 56 -7.267 -8.678 4.142 1.00 13.12 H new ATOM 0 HE2 LYS A 56 -7.256 -8.127 6.481 1.00 13.00 H new ATOM 0 HE3 LYS A 56 -7.477 -6.420 6.155 1.00 13.00 H new ATOM 0 HZ1 LYS A 56 -9.539 -7.456 6.839 1.00 2.01 H new ATOM 0 HZ2 LYS A 56 -9.668 -6.907 5.237 1.00 2.01 H new ATOM 0 HZ3 LYS A 56 -9.453 -8.561 5.553 1.00 2.01 H new ATOM 897 N PRO A 57 -2.910 -9.288 2.823 1.00 41.04 N ATOM 898 CA PRO A 57 -3.074 -9.834 1.482 1.00 53.12 C ATOM 899 C PRO A 57 -4.550 -10.127 1.225 1.00 13.53 C ATOM 900 O PRO A 57 -5.346 -10.170 2.166 1.00 63.22 O ATOM 901 CB PRO A 57 -2.249 -11.137 1.505 1.00 65.11 C ATOM 902 CG PRO A 57 -1.555 -11.157 2.832 1.00 54.13 C ATOM 903 CD PRO A 57 -2.373 -10.293 3.745 1.00 60.33 C ATOM 0 HA PRO A 57 -2.746 -9.155 0.695 1.00 53.12 H new ATOM 0 HB2 PRO A 57 -2.892 -12.009 1.387 1.00 65.11 H new ATOM 0 HB3 PRO A 57 -1.529 -11.159 0.687 1.00 65.11 H new ATOM 0 HG2 PRO A 57 -1.484 -12.174 3.219 1.00 54.13 H new ATOM 0 HG3 PRO A 57 -0.537 -10.777 2.745 1.00 54.13 H new ATOM 0 HD2 PRO A 57 -3.165 -10.857 4.238 1.00 60.33 H new ATOM 0 HD3 PRO A 57 -1.766 -9.842 4.530 1.00 60.33 H new ATOM 911 N ILE A 58 -4.923 -10.317 -0.028 1.00 72.10 N ATOM 912 CA ILE A 58 -6.318 -10.572 -0.361 1.00 15.32 C ATOM 913 C ILE A 58 -6.671 -12.015 0.015 1.00 31.41 C ATOM 914 O ILE A 58 -5.776 -12.846 0.197 1.00 23.01 O ATOM 915 CB ILE A 58 -6.630 -10.293 -1.867 1.00 35.01 C ATOM 916 CG1 ILE A 58 -6.301 -8.839 -2.249 1.00 31.41 C ATOM 917 CG2 ILE A 58 -8.093 -10.566 -2.200 1.00 63.10 C ATOM 918 CD1 ILE A 58 -4.826 -8.538 -2.415 1.00 3.53 C ATOM 0 H ILE A 58 -4.289 -10.300 -0.827 1.00 72.10 H new ATOM 0 HA ILE A 58 -6.937 -9.882 0.213 1.00 15.32 H new ATOM 0 HB ILE A 58 -5.999 -10.972 -2.441 1.00 35.01 H new ATOM 0 HG12 ILE A 58 -6.812 -8.600 -3.181 1.00 31.41 H new ATOM 0 HG13 ILE A 58 -6.707 -8.178 -1.484 1.00 31.41 H new ATOM 0 HG21 ILE A 58 -8.270 -10.360 -3.256 1.00 63.10 H new ATOM 0 HG22 ILE A 58 -8.325 -11.610 -1.990 1.00 63.10 H new ATOM 0 HG23 ILE A 58 -8.730 -9.923 -1.593 1.00 63.10 H new ATOM 0 HD11 ILE A 58 -4.697 -7.490 -2.684 1.00 3.53 H new ATOM 0 HD12 ILE A 58 -4.306 -8.739 -1.478 1.00 3.53 H new ATOM 0 HD13 ILE A 58 -4.412 -9.168 -3.202 1.00 3.53 H new ATOM 930 N LEU A 59 -7.967 -12.289 0.129 1.00 21.23 N ATOM 931 CA LEU A 59 -8.486 -13.581 0.590 1.00 63.32 C ATOM 932 C LEU A 59 -8.164 -13.780 2.076 1.00 5.22 C ATOM 933 O LEU A 59 -7.749 -12.841 2.758 1.00 24.14 O ATOM 934 CB LEU A 59 -7.922 -14.734 -0.262 1.00 51.23 C ATOM 935 CG LEU A 59 -8.648 -16.080 -0.129 1.00 72.32 C ATOM 936 CD1 LEU A 59 -10.096 -15.958 -0.578 1.00 41.40 C ATOM 937 CD2 LEU A 59 -7.929 -17.159 -0.922 1.00 71.22 C ATOM 0 H LEU A 59 -8.698 -11.615 -0.098 1.00 21.23 H new ATOM 0 HA LEU A 59 -9.570 -13.584 0.471 1.00 63.32 H new ATOM 0 HB2 LEU A 59 -7.945 -14.432 -1.309 1.00 51.23 H new ATOM 0 HB3 LEU A 59 -6.875 -14.879 0.005 1.00 51.23 H new ATOM 0 HG LEU A 59 -8.641 -16.368 0.922 1.00 72.32 H new ATOM 0 HD11 LEU A 59 -10.591 -16.923 -0.475 1.00 41.40 H new ATOM 0 HD12 LEU A 59 -10.608 -15.220 0.040 1.00 41.40 H new ATOM 0 HD13 LEU A 59 -10.128 -15.643 -1.621 1.00 41.40 H new ATOM 0 HD21 LEU A 59 -8.460 -18.105 -0.814 1.00 71.22 H new ATOM 0 HD22 LEU A 59 -7.899 -16.878 -1.975 1.00 71.22 H new ATOM 0 HD23 LEU A 59 -6.912 -17.269 -0.547 1.00 71.22 H new ATOM 949 N GLU A 60 -8.389 -14.991 2.575 1.00 74.00 N ATOM 950 CA GLU A 60 -8.119 -15.327 3.967 1.00 32.15 C ATOM 951 C GLU A 60 -6.637 -15.142 4.291 1.00 61.34 C ATOM 952 O GLU A 60 -5.786 -15.863 3.766 1.00 32.34 O ATOM 953 CB GLU A 60 -8.540 -16.778 4.231 1.00 62.21 C ATOM 954 CG GLU A 60 -8.227 -17.279 5.633 1.00 14.31 C ATOM 955 CD GLU A 60 -8.617 -18.733 5.827 1.00 64.24 C ATOM 956 OE1 GLU A 60 -7.907 -19.620 5.312 1.00 65.31 O ATOM 957 OE2 GLU A 60 -9.638 -19.000 6.498 1.00 22.00 O ATOM 0 H GLU A 60 -8.763 -15.765 2.026 1.00 74.00 H new ATOM 0 HA GLU A 60 -8.692 -14.659 4.609 1.00 32.15 H new ATOM 0 HB2 GLU A 60 -9.612 -16.870 4.057 1.00 62.21 H new ATOM 0 HB3 GLU A 60 -8.043 -17.425 3.508 1.00 62.21 H new ATOM 0 HG2 GLU A 60 -7.161 -17.162 5.828 1.00 14.31 H new ATOM 0 HG3 GLU A 60 -8.754 -16.664 6.362 1.00 14.31 H new ATOM 964 N HIS A 61 -6.334 -14.176 5.150 1.00 25.54 N ATOM 965 CA HIS A 61 -4.953 -13.934 5.546 1.00 12.31 C ATOM 966 C HIS A 61 -4.549 -14.937 6.620 1.00 55.32 C ATOM 967 O HIS A 61 -5.178 -15.031 7.675 1.00 53.42 O ATOM 968 CB HIS A 61 -4.738 -12.479 6.019 1.00 44.15 C ATOM 969 CG HIS A 61 -5.419 -12.107 7.311 1.00 24.14 C ATOM 970 ND1 HIS A 61 -6.739 -11.718 7.387 1.00 2.23 N ATOM 971 CD2 HIS A 61 -4.943 -12.050 8.582 1.00 15.02 C ATOM 972 CE1 HIS A 61 -7.046 -11.441 8.642 1.00 45.34 C ATOM 973 NE2 HIS A 61 -5.975 -11.633 9.386 1.00 64.54 N ATOM 0 H HIS A 61 -7.018 -13.554 5.581 1.00 25.54 H new ATOM 0 HA HIS A 61 -4.312 -14.073 4.675 1.00 12.31 H new ATOM 0 HB2 HIS A 61 -3.668 -12.307 6.131 1.00 44.15 H new ATOM 0 HB3 HIS A 61 -5.089 -11.806 5.237 1.00 44.15 H new ATOM 0 HD2 HIS A 61 -3.939 -12.288 8.901 1.00 15.02 H new ATOM 0 HE1 HIS A 61 -8.011 -11.113 8.998 1.00 45.34 H new ATOM 0 HE2 HIS A 61 -5.922 -11.494 10.395 1.00 64.54 H new ATOM 982 N HIS A 62 -3.515 -15.707 6.333 1.00 73.54 N ATOM 983 CA HIS A 62 -3.102 -16.776 7.226 1.00 32.11 C ATOM 984 C HIS A 62 -2.061 -16.289 8.221 1.00 20.32 C ATOM 985 O HIS A 62 -1.142 -15.551 7.866 1.00 40.14 O ATOM 986 CB HIS A 62 -2.571 -17.962 6.418 1.00 52.42 C ATOM 987 CG HIS A 62 -3.628 -18.601 5.570 1.00 11.43 C ATOM 988 ND1 HIS A 62 -3.759 -18.367 4.222 1.00 41.03 N ATOM 989 CD2 HIS A 62 -4.629 -19.446 5.900 1.00 32.44 C ATOM 990 CE1 HIS A 62 -4.798 -19.036 3.761 1.00 11.12 C ATOM 991 NE2 HIS A 62 -5.351 -19.699 4.760 1.00 4.10 N ATOM 0 H HIS A 62 -2.947 -15.613 5.491 1.00 73.54 H new ATOM 0 HA HIS A 62 -3.973 -17.103 7.794 1.00 32.11 H new ATOM 0 HB2 HIS A 62 -1.753 -17.626 5.781 1.00 52.42 H new ATOM 0 HB3 HIS A 62 -2.159 -18.706 7.100 1.00 52.42 H new ATOM 0 HD2 HIS A 62 -4.826 -19.849 6.882 1.00 32.44 H new ATOM 0 HE1 HIS A 62 -5.140 -19.041 2.736 1.00 11.12 H new ATOM 0 HE2 HIS A 62 -6.175 -20.297 4.696 1.00 4.10 H new ATOM 1000 N HIS A 63 -2.234 -16.698 9.470 1.00 11.31 N ATOM 1001 CA HIS A 63 -1.341 -16.296 10.551 1.00 11.53 C ATOM 1002 C HIS A 63 0.040 -16.909 10.337 1.00 64.01 C ATOM 1003 O HIS A 63 0.158 -17.977 9.732 1.00 60.34 O ATOM 1004 CB HIS A 63 -1.932 -16.748 11.891 1.00 11.53 C ATOM 1005 CG HIS A 63 -1.459 -15.960 13.073 1.00 11.23 C ATOM 1006 ND1 HIS A 63 -2.008 -14.748 13.424 1.00 2.10 N ATOM 1007 CD2 HIS A 63 -0.506 -16.222 13.997 1.00 33.01 C ATOM 1008 CE1 HIS A 63 -1.414 -14.298 14.510 1.00 43.15 C ATOM 1009 NE2 HIS A 63 -0.500 -15.174 14.884 1.00 21.33 N ATOM 0 H HIS A 63 -2.992 -17.314 9.763 1.00 11.31 H new ATOM 0 HA HIS A 63 -1.237 -15.211 10.559 1.00 11.53 H new ATOM 0 HB2 HIS A 63 -3.019 -16.681 11.836 1.00 11.53 H new ATOM 0 HB3 HIS A 63 -1.685 -17.798 12.047 1.00 11.53 H new ATOM 0 HD2 HIS A 63 0.131 -17.093 14.031 1.00 33.01 H new ATOM 0 HE1 HIS A 63 -1.637 -13.368 15.011 1.00 43.15 H new ATOM 0 HE2 HIS A 63 0.110 -15.087 15.697 1.00 21.33 H new ATOM 1018 N HIS A 64 1.080 -16.231 10.822 1.00 50.12 N ATOM 1019 CA HIS A 64 2.453 -16.709 10.648 1.00 4.43 C ATOM 1020 C HIS A 64 2.637 -18.098 11.238 1.00 14.30 C ATOM 1021 O HIS A 64 2.007 -18.456 12.235 1.00 25.40 O ATOM 1022 CB HIS A 64 3.460 -15.736 11.264 1.00 43.52 C ATOM 1023 CG HIS A 64 3.805 -14.591 10.362 1.00 50.34 C ATOM 1024 ND1 HIS A 64 5.053 -14.424 9.810 1.00 21.30 N ATOM 1025 CD2 HIS A 64 3.053 -13.564 9.905 1.00 14.51 C ATOM 1026 CE1 HIS A 64 5.054 -13.346 9.052 1.00 52.44 C ATOM 1027 NE2 HIS A 64 3.852 -12.803 9.088 1.00 62.34 N ATOM 0 H HIS A 64 1.000 -15.354 11.336 1.00 50.12 H new ATOM 0 HA HIS A 64 2.640 -16.767 9.576 1.00 4.43 H new ATOM 0 HB2 HIS A 64 3.053 -15.345 12.197 1.00 43.52 H new ATOM 0 HB3 HIS A 64 4.371 -16.278 11.516 1.00 43.52 H new ATOM 0 HD2 HIS A 64 2.015 -13.377 10.139 1.00 14.51 H new ATOM 0 HE1 HIS A 64 5.899 -12.969 8.494 1.00 52.44 H new ATOM 0 HE2 HIS A 64 3.565 -11.959 8.592 1.00 62.34 H new ATOM 1036 N HIS A 65 3.498 -18.877 10.604 1.00 12.44 N ATOM 1037 CA HIS A 65 3.707 -20.264 10.985 1.00 1.33 C ATOM 1038 C HIS A 65 4.911 -20.401 11.909 1.00 34.34 C ATOM 1039 O HIS A 65 5.401 -19.413 12.459 1.00 24.02 O ATOM 1040 CB HIS A 65 3.895 -21.123 9.735 1.00 24.34 C ATOM 1041 CG HIS A 65 2.679 -21.174 8.860 1.00 60.43 C ATOM 1042 ND1 HIS A 65 2.451 -20.281 7.835 1.00 61.24 N ATOM 1043 CD2 HIS A 65 1.614 -22.008 8.872 1.00 73.11 C ATOM 1044 CE1 HIS A 65 1.299 -20.563 7.257 1.00 5.55 C ATOM 1045 NE2 HIS A 65 0.774 -21.608 7.865 1.00 15.55 N ATOM 0 H HIS A 65 4.068 -18.569 9.816 1.00 12.44 H new ATOM 0 HA HIS A 65 2.827 -20.610 11.527 1.00 1.33 H new ATOM 0 HB2 HIS A 65 4.733 -20.733 9.158 1.00 24.34 H new ATOM 0 HB3 HIS A 65 4.160 -22.137 10.036 1.00 24.34 H new ATOM 0 HD2 HIS A 65 1.455 -22.835 9.549 1.00 73.11 H new ATOM 0 HE1 HIS A 65 0.861 -20.029 6.427 1.00 5.55 H new ATOM 0 HE2 HIS A 65 -0.114 -22.048 7.625 1.00 15.55 H new ATOM 1054 N HIS A 66 5.370 -21.634 12.087 1.00 12.53 N ATOM 1055 CA HIS A 66 6.513 -21.909 12.943 1.00 35.15 C ATOM 1056 C HIS A 66 7.805 -21.767 12.153 1.00 52.14 C ATOM 1057 O HIS A 66 8.571 -20.823 12.428 1.00 36.83 O ATOM 1058 CB HIS A 66 6.422 -23.317 13.547 1.00 54.05 C ATOM 1059 CG HIS A 66 5.231 -23.526 14.434 1.00 33.54 C ATOM 1060 ND1 HIS A 66 5.250 -23.298 15.796 1.00 75.42 N ATOM 1061 CD2 HIS A 66 3.978 -23.949 14.146 1.00 45.41 C ATOM 1062 CE1 HIS A 66 4.061 -23.573 16.303 1.00 44.01 C ATOM 1063 NE2 HIS A 66 3.274 -23.969 15.324 1.00 54.41 N ATOM 1064 OXT HIS A 66 8.037 -22.586 11.239 1.00 36.83 O ATOM 0 H HIS A 66 4.965 -22.461 11.647 1.00 12.53 H new ATOM 0 HA HIS A 66 6.508 -21.185 13.758 1.00 35.15 H new ATOM 0 HB2 HIS A 66 6.392 -24.047 12.738 1.00 54.05 H new ATOM 0 HB3 HIS A 66 7.328 -23.514 14.120 1.00 54.05 H new ATOM 0 HD2 HIS A 66 3.602 -24.220 13.171 1.00 45.41 H new ATOM 0 HE1 HIS A 66 3.782 -23.488 17.343 1.00 44.01 H new ATOM 0 HE2 HIS A 66 2.298 -24.246 15.425 1.00 54.41 H new TER 1073 HIS A 66