USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 379 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 49 TYR OH : rot -87:sc= -4.83! USER MOD Set 1.2: A 51 ASN : amide:sc= -2.3 K(o=-7.1,f=-8.1!) USER MOD Single : A 1 ALA N :NH3+ -162:sc= 1.03 (180deg=0.744) USER MOD Single : A 2 HIS : no HD1:sc= -4.45! C(o=-4.5!,f=-4.5!) USER MOD Single : A 3 MET CE :methyl -148:sc= -0.401 (180deg=-2.04!) USER MOD Single : A 6 THR OG1 : rot 130:sc= -2.3 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.062) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -25.8! C(o=-26!,f=-32!) USER MOD Single : A 35 ASN : amide:sc= -3.41 K(o=-3.4,f=-12!) USER MOD Single : A 36 MET CE :methyl 155:sc= -2.15 (180deg=-3.72!) USER MOD Single : A 43 HIS : no HD1:sc= -6.84! C(o=-6.8!,f=-5.1!) USER MOD Single : A 50 SER OG : rot 52:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.525 -0.811 0.598 1.00 0.00 N ATOM 2 CA ALA A 1 10.178 -2.211 0.240 1.00 0.00 C ATOM 3 C ALA A 1 9.443 -2.263 -1.095 1.00 0.00 C ATOM 4 O ALA A 1 8.290 -2.688 -1.169 1.00 0.00 O ATOM 5 CB ALA A 1 9.335 -2.844 1.338 1.00 0.00 C ATOM 0 H1 ALA A 1 11.269 -0.813 1.325 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.868 -0.311 -0.247 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.681 -0.328 0.967 1.00 0.00 H new ATOM 0 HA ALA A 1 11.103 -2.778 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.088 -3.869 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.896 -2.845 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.416 -2.272 1.467 1.00 0.00 H new ATOM 13 N HIS A 2 10.126 -1.831 -2.148 1.00 0.00 N ATOM 14 CA HIS A 2 9.555 -1.825 -3.488 1.00 0.00 C ATOM 15 C HIS A 2 9.417 -3.247 -4.018 1.00 0.00 C ATOM 16 O HIS A 2 10.269 -3.721 -4.770 1.00 0.00 O ATOM 17 CB HIS A 2 10.438 -1.005 -4.431 1.00 0.00 C ATOM 18 CG HIS A 2 9.676 -0.288 -5.503 1.00 0.00 C ATOM 19 ND1 HIS A 2 8.921 -0.939 -6.455 1.00 0.00 N ATOM 20 CD2 HIS A 2 9.562 1.034 -5.774 1.00 0.00 C ATOM 21 CE1 HIS A 2 8.375 -0.050 -7.266 1.00 0.00 C ATOM 22 NE2 HIS A 2 8.749 1.154 -6.874 1.00 0.00 N ATOM 0 H HIS A 2 11.082 -1.478 -2.098 1.00 0.00 H new ATOM 0 HA HIS A 2 8.565 -1.372 -3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 2 10.998 -0.275 -3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 2 11.168 -1.667 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 2 10.024 1.843 -5.227 1.00 0.00 H new ATOM 0 HE1 HIS A 2 7.733 -0.271 -8.106 1.00 0.00 H new ATOM 0 HE2 HIS A 2 8.478 2.032 -7.317 1.00 0.00 H new ATOM 31 N MET A 3 8.347 -3.928 -3.624 1.00 0.00 N ATOM 32 CA MET A 3 8.126 -5.303 -4.073 1.00 0.00 C ATOM 33 C MET A 3 6.731 -5.816 -3.709 1.00 0.00 C ATOM 34 O MET A 3 5.783 -5.645 -4.475 1.00 0.00 O ATOM 35 CB MET A 3 9.203 -6.226 -3.493 1.00 0.00 C ATOM 36 CG MET A 3 10.389 -6.440 -4.422 1.00 0.00 C ATOM 37 SD MET A 3 10.676 -8.181 -4.797 1.00 0.00 S ATOM 38 CE MET A 3 10.536 -8.907 -3.166 1.00 0.00 C ATOM 0 H MET A 3 7.626 -3.560 -3.003 1.00 0.00 H new ATOM 0 HA MET A 3 8.194 -5.306 -5.161 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.560 -5.807 -2.552 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.755 -7.192 -3.262 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.220 -5.896 -5.351 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.284 -6.019 -3.964 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.196 -9.771 -3.095 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.820 -8.171 -2.414 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.507 -9.222 -2.995 1.00 0.00 H new ATOM 48 N ASP A 4 6.613 -6.464 -2.547 1.00 0.00 N ATOM 49 CA ASP A 4 5.338 -7.018 -2.096 1.00 0.00 C ATOM 50 C ASP A 4 4.187 -6.038 -2.326 1.00 0.00 C ATOM 51 O ASP A 4 4.059 -5.037 -1.627 1.00 0.00 O ATOM 52 CB ASP A 4 5.426 -7.402 -0.615 1.00 0.00 C ATOM 53 CG ASP A 4 5.799 -8.859 -0.419 1.00 0.00 C ATOM 54 OD1 ASP A 4 6.349 -9.462 -1.364 1.00 0.00 O ATOM 55 OD2 ASP A 4 5.541 -9.395 0.678 1.00 0.00 O ATOM 0 H ASP A 4 7.388 -6.617 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 4 5.132 -7.912 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.165 -6.771 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.468 -7.207 -0.134 1.00 0.00 H new ATOM 60 N CYS A 5 3.354 -6.331 -3.319 1.00 0.00 N ATOM 61 CA CYS A 5 2.219 -5.473 -3.640 1.00 0.00 C ATOM 62 C CYS A 5 1.175 -6.230 -4.454 1.00 0.00 C ATOM 63 O CYS A 5 1.475 -7.256 -5.067 1.00 0.00 O ATOM 64 CB CYS A 5 2.688 -4.236 -4.411 1.00 0.00 C ATOM 65 SG CYS A 5 2.673 -2.697 -3.435 1.00 0.00 S ATOM 0 H CYS A 5 3.443 -7.154 -3.914 1.00 0.00 H new ATOM 0 HA CYS A 5 1.761 -5.156 -2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.700 -4.411 -4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.052 -4.104 -5.286 1.00 0.00 H new ATOM 70 N THR A 6 -0.051 -5.714 -4.462 1.00 0.00 N ATOM 71 CA THR A 6 -1.145 -6.329 -5.204 1.00 0.00 C ATOM 72 C THR A 6 -0.707 -6.739 -6.616 1.00 0.00 C ATOM 73 O THR A 6 -1.277 -7.668 -7.181 1.00 0.00 O ATOM 74 CB THR A 6 -2.320 -5.359 -5.294 1.00 0.00 C ATOM 75 OG1 THR A 6 -1.888 -4.083 -5.731 1.00 0.00 O ATOM 76 CG2 THR A 6 -3.040 -5.179 -3.978 1.00 0.00 C ATOM 0 H THR A 6 -0.312 -4.866 -3.959 1.00 0.00 H new ATOM 0 HA THR A 6 -1.448 -7.229 -4.668 1.00 0.00 H new ATOM 0 HB THR A 6 -3.010 -5.803 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.454 -3.782 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.865 -4.478 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.430 -6.140 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.346 -4.789 -3.234 1.00 0.00 H new ATOM 84 N GLU A 7 0.300 -6.039 -7.192 1.00 0.00 N ATOM 85 CA GLU A 7 0.786 -6.351 -8.541 1.00 0.00 C ATOM 86 C GLU A 7 0.871 -7.861 -8.770 1.00 0.00 C ATOM 87 O GLU A 7 1.939 -8.462 -8.653 1.00 0.00 O ATOM 88 CB GLU A 7 2.156 -5.707 -8.771 1.00 0.00 C ATOM 89 CG GLU A 7 2.129 -4.556 -9.765 1.00 0.00 C ATOM 90 CD GLU A 7 2.289 -3.204 -9.098 1.00 0.00 C ATOM 91 OE1 GLU A 7 3.132 -3.088 -8.185 1.00 0.00 O ATOM 92 OE2 GLU A 7 1.571 -2.260 -9.491 1.00 0.00 O ATOM 0 H GLU A 7 0.783 -5.262 -6.741 1.00 0.00 H new ATOM 0 HA GLU A 7 0.072 -5.943 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.542 -5.344 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.850 -6.468 -9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.926 -4.693 -10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.187 -4.577 -10.314 1.00 0.00 H new ATOM 99 N PHE A 8 -0.270 -8.457 -9.086 1.00 0.00 N ATOM 100 CA PHE A 8 -0.362 -9.890 -9.327 1.00 0.00 C ATOM 101 C PHE A 8 -1.633 -10.198 -10.116 1.00 0.00 C ATOM 102 O PHE A 8 -2.106 -9.358 -10.882 1.00 0.00 O ATOM 103 CB PHE A 8 -0.356 -10.640 -7.989 1.00 0.00 C ATOM 104 CG PHE A 8 0.526 -11.857 -7.984 1.00 0.00 C ATOM 105 CD1 PHE A 8 1.801 -11.804 -8.526 1.00 0.00 C ATOM 106 CD2 PHE A 8 0.083 -13.050 -7.436 1.00 0.00 C ATOM 107 CE1 PHE A 8 2.617 -12.920 -8.522 1.00 0.00 C ATOM 108 CE2 PHE A 8 0.895 -14.169 -7.429 1.00 0.00 C ATOM 109 CZ PHE A 8 2.163 -14.104 -7.972 1.00 0.00 C ATOM 0 H PHE A 8 -1.157 -7.962 -9.182 1.00 0.00 H new ATOM 0 HA PHE A 8 0.497 -10.219 -9.912 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.027 -9.960 -7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.375 -10.940 -7.746 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.161 -10.881 -8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.908 -13.106 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.608 -12.867 -8.948 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.538 -15.093 -6.999 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.799 -14.977 -7.967 1.00 0.00 H new ATOM 119 N ASN A 9 -2.198 -11.388 -9.925 1.00 0.00 N ATOM 120 CA ASN A 9 -3.421 -11.755 -10.624 1.00 0.00 C ATOM 121 C ASN A 9 -4.597 -10.936 -10.089 1.00 0.00 C ATOM 122 O ASN A 9 -5.234 -10.195 -10.838 1.00 0.00 O ATOM 123 CB ASN A 9 -3.699 -13.253 -10.476 1.00 0.00 C ATOM 124 CG ASN A 9 -3.457 -14.015 -11.763 1.00 0.00 C ATOM 125 OD1 ASN A 9 -4.255 -13.948 -12.698 1.00 0.00 O ATOM 126 ND2 ASN A 9 -2.350 -14.747 -11.819 1.00 0.00 N ATOM 0 H ASN A 9 -1.832 -12.105 -9.299 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.295 -11.536 -11.684 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.064 -13.662 -9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.732 -13.399 -10.159 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.134 -15.282 -12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.716 -14.774 -11.021 1.00 0.00 H new ATOM 133 N PRO A 10 -4.897 -11.047 -8.781 1.00 0.00 N ATOM 134 CA PRO A 10 -5.983 -10.312 -8.150 1.00 0.00 C ATOM 135 C PRO A 10 -5.509 -9.001 -7.526 1.00 0.00 C ATOM 136 O PRO A 10 -5.011 -8.987 -6.400 1.00 0.00 O ATOM 137 CB PRO A 10 -6.428 -11.285 -7.066 1.00 0.00 C ATOM 138 CG PRO A 10 -5.166 -11.960 -6.630 1.00 0.00 C ATOM 139 CD PRO A 10 -4.201 -11.896 -7.796 1.00 0.00 C ATOM 0 HA PRO A 10 -6.764 -10.020 -8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.907 -10.764 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.151 -12.004 -7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.746 -11.464 -5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.360 -12.995 -6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.245 -11.465 -7.501 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.993 -12.887 -8.198 1.00 0.00 H new ATOM 147 N LEU A 11 -5.664 -7.902 -8.259 1.00 0.00 N ATOM 148 CA LEU A 11 -5.245 -6.593 -7.762 1.00 0.00 C ATOM 149 C LEU A 11 -5.978 -6.248 -6.481 1.00 0.00 C ATOM 150 O LEU A 11 -6.884 -6.973 -6.083 1.00 0.00 O ATOM 151 CB LEU A 11 -5.483 -5.510 -8.819 1.00 0.00 C ATOM 152 CG LEU A 11 -4.609 -5.611 -10.073 1.00 0.00 C ATOM 153 CD1 LEU A 11 -3.157 -5.874 -9.700 1.00 0.00 C ATOM 154 CD2 LEU A 11 -5.128 -6.700 -11.000 1.00 0.00 C ATOM 0 H LEU A 11 -6.074 -7.890 -9.193 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.177 -6.638 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.529 -5.546 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.318 -4.535 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.658 -4.658 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.555 -5.942 -10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.787 -5.058 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.087 -6.811 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.494 -6.757 -11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.112 -7.658 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.150 -6.466 -11.300 1.00 0.00 H new ATOM 166 N CYS A 12 -5.558 -5.147 -5.838 1.00 0.00 N ATOM 167 CA CYS A 12 -6.138 -4.683 -4.573 1.00 0.00 C ATOM 168 C CYS A 12 -7.516 -5.268 -4.320 1.00 0.00 C ATOM 169 O CYS A 12 -8.518 -4.557 -4.238 1.00 0.00 O ATOM 170 CB CYS A 12 -6.204 -3.160 -4.534 1.00 0.00 C ATOM 171 SG CYS A 12 -7.260 -2.410 -5.818 1.00 0.00 S ATOM 0 H CYS A 12 -4.804 -4.553 -6.184 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.480 -5.035 -3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.570 -2.851 -3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.194 -2.763 -4.636 1.00 0.00 H new ATOM 176 N ARG A 13 -7.535 -6.580 -4.183 1.00 0.00 N ATOM 177 CA ARG A 13 -8.764 -7.313 -3.919 1.00 0.00 C ATOM 178 C ARG A 13 -8.842 -7.652 -2.440 1.00 0.00 C ATOM 179 O ARG A 13 -9.391 -8.680 -2.046 1.00 0.00 O ATOM 180 CB ARG A 13 -8.818 -8.591 -4.759 1.00 0.00 C ATOM 181 CG ARG A 13 -9.339 -8.370 -6.170 1.00 0.00 C ATOM 182 CD ARG A 13 -10.840 -8.595 -6.250 1.00 0.00 C ATOM 183 NE ARG A 13 -11.584 -7.625 -5.450 1.00 0.00 N ATOM 184 CZ ARG A 13 -11.841 -6.380 -5.845 1.00 0.00 C ATOM 185 NH1 ARG A 13 -11.414 -5.949 -7.026 1.00 0.00 N ATOM 186 NH2 ARG A 13 -12.528 -5.564 -5.056 1.00 0.00 N ATOM 0 H ARG A 13 -6.704 -7.168 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.616 -6.690 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.819 -9.023 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.453 -9.320 -4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.104 -7.355 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.831 -9.047 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.161 -8.529 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.074 -9.603 -5.907 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.927 -7.919 -4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.886 -6.573 -7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.614 -4.994 -7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.858 -5.891 -4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.726 -4.610 -5.357 1.00 0.00 H new ATOM 200 N CYS A 14 -8.264 -6.773 -1.632 1.00 0.00 N ATOM 201 CA CYS A 14 -8.230 -6.951 -0.194 1.00 0.00 C ATOM 202 C CYS A 14 -8.861 -5.752 0.506 1.00 0.00 C ATOM 203 O CYS A 14 -8.208 -4.733 0.731 1.00 0.00 O ATOM 204 CB CYS A 14 -6.783 -7.145 0.276 1.00 0.00 C ATOM 205 SG CYS A 14 -5.530 -7.110 -1.050 1.00 0.00 S ATOM 0 H CYS A 14 -7.808 -5.921 -1.958 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.805 -7.840 0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.545 -6.367 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.711 -8.099 0.798 1.00 0.00 H new ATOM 210 N ASN A 15 -10.139 -5.883 0.836 1.00 0.00 N ATOM 211 CA ASN A 15 -10.880 -4.816 1.499 1.00 0.00 C ATOM 212 C ASN A 15 -10.408 -4.626 2.925 1.00 0.00 C ATOM 213 O ASN A 15 -10.283 -3.497 3.389 1.00 0.00 O ATOM 214 CB ASN A 15 -12.371 -5.145 1.504 1.00 0.00 C ATOM 215 CG ASN A 15 -13.197 -4.110 0.768 1.00 0.00 C ATOM 216 OD1 ASN A 15 -14.112 -4.449 0.016 1.00 0.00 O ATOM 217 ND2 ASN A 15 -12.879 -2.838 0.979 1.00 0.00 N ATOM 0 H ASN A 15 -10.688 -6.723 0.654 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.704 -3.892 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.526 -6.122 1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.720 -5.218 2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.400 -2.097 0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.113 -2.602 1.610 1.00 0.00 H new ATOM 224 N LYS A 16 -10.183 -5.749 3.608 1.00 0.00 N ATOM 225 CA LYS A 16 -9.753 -5.782 5.014 1.00 0.00 C ATOM 226 C LYS A 16 -9.158 -4.466 5.491 1.00 0.00 C ATOM 227 O LYS A 16 -8.019 -4.413 5.954 1.00 0.00 O ATOM 228 CB LYS A 16 -8.746 -6.913 5.244 1.00 0.00 C ATOM 229 CG LYS A 16 -8.239 -6.993 6.681 1.00 0.00 C ATOM 230 CD LYS A 16 -8.412 -8.389 7.259 1.00 0.00 C ATOM 231 CE LYS A 16 -7.333 -8.706 8.282 1.00 0.00 C ATOM 232 NZ LYS A 16 -7.727 -9.828 9.177 1.00 0.00 N ATOM 0 H LYS A 16 -10.295 -6.676 3.198 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.654 -5.960 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.211 -7.862 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.897 -6.775 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.186 -6.714 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.778 -6.274 7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.393 -8.471 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.379 -9.124 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.408 -8.962 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.129 -7.819 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.964 -10.012 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.596 -9.575 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.897 -10.682 8.609 1.00 0.00 H new ATOM 246 N MET A 17 -9.948 -3.412 5.390 1.00 0.00 N ATOM 247 CA MET A 17 -9.513 -2.099 5.836 1.00 0.00 C ATOM 248 C MET A 17 -9.292 -2.120 7.335 1.00 0.00 C ATOM 249 O MET A 17 -10.161 -1.736 8.117 1.00 0.00 O ATOM 250 CB MET A 17 -10.530 -1.028 5.478 1.00 0.00 C ATOM 251 CG MET A 17 -11.973 -1.450 5.704 1.00 0.00 C ATOM 252 SD MET A 17 -13.111 -0.051 5.721 1.00 0.00 S ATOM 253 CE MET A 17 -14.528 -0.757 4.885 1.00 0.00 C ATOM 0 H MET A 17 -10.892 -3.438 5.004 1.00 0.00 H new ATOM 0 HA MET A 17 -8.579 -1.858 5.329 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.326 -0.135 6.069 1.00 0.00 H new ATOM 0 HB3 MET A 17 -10.401 -0.754 4.431 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.271 -2.146 4.920 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.047 -1.985 6.651 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.320 -0.011 4.817 1.00 0.00 H new ATOM 0 HE2 MET A 17 -14.239 -1.072 3.882 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.889 -1.619 5.446 1.00 0.00 H new ATOM 263 N LEU A 18 -8.124 -2.591 7.717 1.00 0.00 N ATOM 264 CA LEU A 18 -7.760 -2.697 9.120 1.00 0.00 C ATOM 265 C LEU A 18 -6.790 -1.602 9.520 1.00 0.00 C ATOM 266 O LEU A 18 -6.498 -0.690 8.747 1.00 0.00 O ATOM 267 CB LEU A 18 -7.163 -4.080 9.416 1.00 0.00 C ATOM 268 CG LEU A 18 -5.696 -4.266 9.018 1.00 0.00 C ATOM 269 CD1 LEU A 18 -4.847 -4.595 10.237 1.00 0.00 C ATOM 270 CD2 LEU A 18 -5.560 -5.355 7.964 1.00 0.00 C ATOM 0 H LEU A 18 -7.402 -2.910 7.071 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.666 -2.574 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.259 -4.276 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.759 -4.832 8.899 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.337 -3.329 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.808 -4.723 9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.916 -3.781 10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.208 -5.517 10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.510 -5.472 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.939 -6.296 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.133 -5.078 7.079 1.00 0.00 H new ATOM 282 N GLY A 19 -6.315 -1.700 10.744 1.00 0.00 N ATOM 283 CA GLY A 19 -5.393 -0.711 11.268 1.00 0.00 C ATOM 284 C GLY A 19 -3.945 -0.982 10.903 1.00 0.00 C ATOM 285 O GLY A 19 -3.113 -1.202 11.783 1.00 0.00 O ATOM 0 H GLY A 19 -6.550 -2.451 11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.676 0.273 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.486 -0.678 12.354 1.00 0.00 H new ATOM 289 N ASP A 20 -3.633 -0.954 9.609 1.00 0.00 N ATOM 290 CA ASP A 20 -2.275 -1.182 9.158 1.00 0.00 C ATOM 291 C ASP A 20 -1.475 0.110 9.224 1.00 0.00 C ATOM 292 O ASP A 20 -2.036 1.195 9.381 1.00 0.00 O ATOM 293 CB ASP A 20 -2.259 -1.710 7.727 1.00 0.00 C ATOM 294 CG ASP A 20 -3.524 -2.451 7.343 1.00 0.00 C ATOM 295 OD1 ASP A 20 -4.568 -1.789 7.162 1.00 0.00 O ATOM 296 OD2 ASP A 20 -3.472 -3.693 7.225 1.00 0.00 O ATOM 0 H ASP A 20 -4.304 -0.776 8.862 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.824 -1.926 9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.114 -0.875 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.405 -2.376 7.603 1.00 0.00 H new ATOM 301 N LEU A 21 -0.162 -0.012 9.125 1.00 0.00 N ATOM 302 CA LEU A 21 0.713 1.125 9.190 1.00 0.00 C ATOM 303 C LEU A 21 1.887 0.982 8.229 1.00 0.00 C ATOM 304 O LEU A 21 3.041 0.903 8.648 1.00 0.00 O ATOM 305 CB LEU A 21 1.220 1.255 10.614 1.00 0.00 C ATOM 306 CG LEU A 21 1.315 -0.055 11.403 1.00 0.00 C ATOM 307 CD1 LEU A 21 2.425 -0.935 10.852 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.540 0.231 12.880 1.00 0.00 C ATOM 0 H LEU A 21 0.317 -0.903 8.998 1.00 0.00 H new ATOM 0 HA LEU A 21 0.160 2.018 8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.207 1.716 10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.563 1.937 11.154 1.00 0.00 H new ATOM 0 HG LEU A 21 0.372 -0.591 11.295 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.475 -1.860 11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.220 -1.168 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.377 -0.409 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.605 -0.710 13.427 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.468 0.789 13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.708 0.819 13.268 1.00 0.00 H new ATOM 320 N ILE A 22 1.588 0.964 6.939 1.00 0.00 N ATOM 321 CA ILE A 22 2.625 0.847 5.926 1.00 0.00 C ATOM 322 C ILE A 22 3.292 2.199 5.700 1.00 0.00 C ATOM 323 O ILE A 22 2.658 3.246 5.831 1.00 0.00 O ATOM 324 CB ILE A 22 2.061 0.307 4.582 1.00 0.00 C ATOM 325 CG1 ILE A 22 2.965 0.671 3.411 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.663 0.824 4.324 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.740 2.066 2.868 1.00 0.00 C ATOM 0 H ILE A 22 0.639 1.029 6.570 1.00 0.00 H new ATOM 0 HA ILE A 22 3.362 0.131 6.291 1.00 0.00 H new ATOM 0 HB ILE A 22 2.023 -0.779 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.004 0.578 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.810 -0.050 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.298 0.428 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.002 0.504 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.680 1.913 4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.422 2.247 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.711 2.160 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.925 2.797 3.655 1.00 0.00 H new ATOM 339 N CYS A 23 4.571 2.168 5.345 1.00 0.00 N ATOM 340 CA CYS A 23 5.321 3.394 5.084 1.00 0.00 C ATOM 341 C CYS A 23 5.599 3.519 3.593 1.00 0.00 C ATOM 342 O CYS A 23 6.617 3.035 3.101 1.00 0.00 O ATOM 343 CB CYS A 23 6.628 3.388 5.875 1.00 0.00 C ATOM 344 SG CYS A 23 6.403 3.024 7.644 1.00 0.00 S ATOM 0 H CYS A 23 5.111 1.310 5.231 1.00 0.00 H new ATOM 0 HA CYS A 23 4.729 4.252 5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.302 2.648 5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.111 4.359 5.770 1.00 0.00 H new ATOM 349 N ALA A 24 4.667 4.140 2.872 1.00 0.00 N ATOM 350 CA ALA A 24 4.792 4.282 1.431 1.00 0.00 C ATOM 351 C ALA A 24 5.731 5.408 1.035 1.00 0.00 C ATOM 352 O ALA A 24 5.932 6.368 1.777 1.00 0.00 O ATOM 353 CB ALA A 24 3.426 4.486 0.802 1.00 0.00 C ATOM 0 H ALA A 24 3.820 4.551 3.265 1.00 0.00 H new ATOM 0 HA ALA A 24 5.229 3.357 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.535 4.591 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.792 3.627 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.969 5.387 1.210 1.00 0.00 H new ATOM 359 N VAL A 25 6.307 5.262 -0.151 1.00 0.00 N ATOM 360 CA VAL A 25 7.241 6.240 -0.688 1.00 0.00 C ATOM 361 C VAL A 25 7.315 6.163 -2.208 1.00 0.00 C ATOM 362 O VAL A 25 7.308 5.078 -2.803 1.00 0.00 O ATOM 363 CB VAL A 25 8.656 6.040 -0.110 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.600 7.126 -0.606 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.617 6.015 1.411 1.00 0.00 C ATOM 0 H VAL A 25 6.140 4.465 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 25 6.867 7.221 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 25 9.032 5.078 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.593 6.965 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.656 7.090 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.228 8.102 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.626 5.873 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.216 6.959 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.981 5.195 1.745 1.00 0.00 H new ATOM 375 N ILE A 26 7.407 7.339 -2.811 1.00 0.00 N ATOM 376 CA ILE A 26 7.519 7.488 -4.252 1.00 0.00 C ATOM 377 C ILE A 26 8.823 8.189 -4.564 1.00 0.00 C ATOM 378 O ILE A 26 9.605 8.487 -3.660 1.00 0.00 O ATOM 379 CB ILE A 26 6.350 8.284 -4.886 1.00 0.00 C ATOM 380 CG1 ILE A 26 5.619 9.130 -3.836 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.389 7.345 -5.608 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.648 8.354 -2.970 1.00 0.00 C ATOM 0 H ILE A 26 7.406 8.226 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 26 7.484 6.487 -4.683 1.00 0.00 H new ATOM 0 HB ILE A 26 6.768 8.970 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.359 9.607 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.076 9.927 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.576 7.923 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.923 6.814 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.981 6.625 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.177 9.030 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.883 7.899 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.185 7.574 -2.430 1.00 0.00 H new ATOM 394 N GLY A 27 9.051 8.441 -5.839 1.00 0.00 N ATOM 395 CA GLY A 27 10.268 9.109 -6.278 1.00 0.00 C ATOM 396 C GLY A 27 10.774 10.129 -5.275 1.00 0.00 C ATOM 397 O GLY A 27 11.982 10.311 -5.120 1.00 0.00 O ATOM 0 H GLY A 27 8.410 8.194 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.043 8.363 -6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.081 9.605 -7.231 1.00 0.00 H new ATOM 401 N ASP A 28 9.846 10.788 -4.582 1.00 0.00 N ATOM 402 CA ASP A 28 10.210 11.779 -3.585 1.00 0.00 C ATOM 403 C ASP A 28 9.035 12.118 -2.668 1.00 0.00 C ATOM 404 O ASP A 28 8.962 13.230 -2.145 1.00 0.00 O ATOM 405 CB ASP A 28 10.715 13.048 -4.270 1.00 0.00 C ATOM 406 CG ASP A 28 9.643 13.723 -5.103 1.00 0.00 C ATOM 407 OD1 ASP A 28 8.765 14.390 -4.513 1.00 0.00 O ATOM 408 OD2 ASP A 28 9.679 13.586 -6.343 1.00 0.00 O ATOM 0 H ASP A 28 8.842 10.650 -4.696 1.00 0.00 H new ATOM 0 HA ASP A 28 11.003 11.353 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.077 13.746 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.564 12.800 -4.907 1.00 0.00 H new ATOM 413 N ALA A 29 8.111 11.172 -2.467 1.00 0.00 N ATOM 414 CA ALA A 29 6.964 11.434 -1.602 1.00 0.00 C ATOM 415 C ALA A 29 6.680 10.257 -0.674 1.00 0.00 C ATOM 416 O ALA A 29 6.421 9.149 -1.128 1.00 0.00 O ATOM 417 CB ALA A 29 5.743 11.761 -2.443 1.00 0.00 C ATOM 0 H ALA A 29 8.135 10.241 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 29 7.203 12.292 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.892 11.955 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.944 12.645 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.514 10.918 -3.096 1.00 0.00 H new ATOM 423 N LYS A 30 6.728 10.503 0.630 1.00 0.00 N ATOM 424 CA LYS A 30 6.473 9.449 1.607 1.00 0.00 C ATOM 425 C LYS A 30 5.196 9.719 2.396 1.00 0.00 C ATOM 426 O LYS A 30 4.997 10.813 2.925 1.00 0.00 O ATOM 427 CB LYS A 30 7.660 9.309 2.560 1.00 0.00 C ATOM 428 CG LYS A 30 8.087 10.619 3.202 1.00 0.00 C ATOM 429 CD LYS A 30 8.947 10.380 4.433 1.00 0.00 C ATOM 430 CE LYS A 30 10.208 9.600 4.092 1.00 0.00 C ATOM 431 NZ LYS A 30 11.416 10.470 4.093 1.00 0.00 N ATOM 0 H LYS A 30 6.939 11.415 1.034 1.00 0.00 H new ATOM 0 HA LYS A 30 6.341 8.515 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.403 8.597 3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.505 8.890 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.642 11.216 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.204 11.195 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.220 11.337 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.371 9.833 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.341 8.793 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.095 9.137 3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.254 9.901 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.300 11.226 3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.539 10.892 5.036 1.00 0.00 H new ATOM 445 N GLU A 31 4.337 8.708 2.473 1.00 0.00 N ATOM 446 CA GLU A 31 3.076 8.816 3.199 1.00 0.00 C ATOM 447 C GLU A 31 2.604 7.439 3.653 1.00 0.00 C ATOM 448 O GLU A 31 2.807 6.446 2.954 1.00 0.00 O ATOM 449 CB GLU A 31 2.008 9.472 2.319 1.00 0.00 C ATOM 450 CG GLU A 31 1.654 8.658 1.084 1.00 0.00 C ATOM 451 CD GLU A 31 2.424 9.100 -0.146 1.00 0.00 C ATOM 452 OE1 GLU A 31 3.614 9.451 -0.008 1.00 0.00 O ATOM 453 OE2 GLU A 31 1.834 9.095 -1.248 1.00 0.00 O ATOM 0 H GLU A 31 4.493 7.798 2.038 1.00 0.00 H new ATOM 0 HA GLU A 31 3.238 9.439 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.107 9.629 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.360 10.456 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.858 7.605 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.585 8.745 0.890 1.00 0.00 H new ATOM 460 N GLU A 32 1.985 7.377 4.829 1.00 0.00 N ATOM 461 CA GLU A 32 1.502 6.108 5.362 1.00 0.00 C ATOM 462 C GLU A 32 0.061 5.848 4.985 1.00 0.00 C ATOM 463 O GLU A 32 -0.696 6.769 4.676 1.00 0.00 O ATOM 464 CB GLU A 32 1.592 6.078 6.883 1.00 0.00 C ATOM 465 CG GLU A 32 2.854 6.709 7.438 1.00 0.00 C ATOM 466 CD GLU A 32 2.566 7.901 8.330 1.00 0.00 C ATOM 467 OE1 GLU A 32 1.927 8.861 7.852 1.00 0.00 O ATOM 468 OE2 GLU A 32 2.980 7.875 9.509 1.00 0.00 O ATOM 0 H GLU A 32 1.807 8.184 5.427 1.00 0.00 H new ATOM 0 HA GLU A 32 2.140 5.339 4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.727 6.595 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.537 5.043 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.411 5.962 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.492 7.024 6.612 1.00 0.00 H new ATOM 475 N HIS A 33 -0.314 4.585 5.058 1.00 0.00 N ATOM 476 CA HIS A 33 -1.679 4.183 4.772 1.00 0.00 C ATOM 477 C HIS A 33 -1.991 2.814 5.367 1.00 0.00 C ATOM 478 O HIS A 33 -1.101 2.088 5.802 1.00 0.00 O ATOM 479 CB HIS A 33 -1.959 4.199 3.271 1.00 0.00 C ATOM 480 CG HIS A 33 -0.918 3.538 2.424 1.00 0.00 C ATOM 481 ND1 HIS A 33 -0.986 2.214 2.046 1.00 0.00 N ATOM 482 CD2 HIS A 33 0.193 4.038 1.835 1.00 0.00 C ATOM 483 CE1 HIS A 33 0.036 1.930 1.259 1.00 0.00 C ATOM 484 NE2 HIS A 33 0.765 3.018 1.113 1.00 0.00 N ATOM 0 H HIS A 33 0.308 3.818 5.313 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.338 4.911 5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.916 3.710 3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.064 5.235 2.948 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.712 1.556 2.330 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.561 5.050 1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.240 0.969 0.811 1.00 0.00 H new ATOM 493 N ARG A 34 -3.272 2.486 5.403 1.00 0.00 N ATOM 494 CA ARG A 34 -3.733 1.215 5.962 1.00 0.00 C ATOM 495 C ARG A 34 -3.949 0.158 4.880 1.00 0.00 C ATOM 496 O ARG A 34 -3.311 -0.895 4.892 1.00 0.00 O ATOM 497 CB ARG A 34 -5.043 1.413 6.717 1.00 0.00 C ATOM 498 CG ARG A 34 -4.866 1.756 8.186 1.00 0.00 C ATOM 499 CD ARG A 34 -4.534 3.224 8.380 1.00 0.00 C ATOM 500 NE ARG A 34 -3.131 3.510 8.091 1.00 0.00 N ATOM 501 CZ ARG A 34 -2.671 4.716 7.770 1.00 0.00 C ATOM 502 NH1 ARG A 34 -3.497 5.754 7.704 1.00 0.00 N ATOM 503 NH2 ARG A 34 -1.382 4.888 7.516 1.00 0.00 N ATOM 0 H ARG A 34 -4.020 3.083 5.050 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.953 0.866 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.611 2.209 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.638 0.503 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.779 1.514 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.071 1.143 8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.168 3.828 7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.759 3.514 9.406 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.465 2.739 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.490 5.629 7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.138 6.676 7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.742 4.095 7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.030 5.813 7.270 1.00 0.00 H new ATOM 517 N ASN A 35 -4.872 0.435 3.959 1.00 0.00 N ATOM 518 CA ASN A 35 -5.188 -0.507 2.890 1.00 0.00 C ATOM 519 C ASN A 35 -4.142 -0.448 1.785 1.00 0.00 C ATOM 520 O ASN A 35 -4.422 -0.054 0.648 1.00 0.00 O ATOM 521 CB ASN A 35 -6.579 -0.224 2.318 1.00 0.00 C ATOM 522 CG ASN A 35 -7.688 -0.826 3.163 1.00 0.00 C ATOM 523 OD1 ASN A 35 -8.337 -0.128 3.942 1.00 0.00 O ATOM 524 ND2 ASN A 35 -7.912 -2.130 3.016 1.00 0.00 N ATOM 0 H ASN A 35 -5.411 1.301 3.933 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.182 -1.511 3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.726 0.854 2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.640 -0.623 1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.644 -2.586 3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.351 -2.673 2.359 1.00 0.00 H new ATOM 531 N MET A 36 -2.930 -0.854 2.138 1.00 0.00 N ATOM 532 CA MET A 36 -1.815 -0.870 1.207 1.00 0.00 C ATOM 533 C MET A 36 -2.196 -1.566 -0.098 1.00 0.00 C ATOM 534 O MET A 36 -1.639 -1.269 -1.155 1.00 0.00 O ATOM 535 CB MET A 36 -0.626 -1.569 1.863 1.00 0.00 C ATOM 536 CG MET A 36 0.579 -1.728 0.949 1.00 0.00 C ATOM 537 SD MET A 36 1.178 -3.428 0.871 1.00 0.00 S ATOM 538 CE MET A 36 -0.192 -4.232 0.042 1.00 0.00 C ATOM 0 H MET A 36 -2.695 -1.180 3.075 1.00 0.00 H new ATOM 0 HA MET A 36 -1.544 0.157 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.327 -1.004 2.746 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.941 -2.554 2.207 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.315 -1.394 -0.054 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.383 -1.080 1.299 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.166 -5.126 -0.469 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.948 -4.512 0.776 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.629 -3.548 -0.686 1.00 0.00 H new ATOM 548 N CYS A 37 -3.155 -2.485 -0.021 1.00 0.00 N ATOM 549 CA CYS A 37 -3.613 -3.207 -1.203 1.00 0.00 C ATOM 550 C CYS A 37 -4.114 -2.232 -2.259 1.00 0.00 C ATOM 551 O CYS A 37 -3.551 -2.134 -3.350 1.00 0.00 O ATOM 552 CB CYS A 37 -4.721 -4.194 -0.829 1.00 0.00 C ATOM 553 SG CYS A 37 -4.114 -5.842 -0.342 1.00 0.00 S ATOM 0 H CYS A 37 -3.628 -2.746 0.844 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.772 -3.765 -1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.304 -3.776 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.397 -4.303 -1.677 1.00 0.00 H new ATOM 558 N ALA A 38 -5.171 -1.504 -1.920 1.00 0.00 N ATOM 559 CA ALA A 38 -5.749 -0.518 -2.829 1.00 0.00 C ATOM 560 C ALA A 38 -4.684 0.438 -3.340 1.00 0.00 C ATOM 561 O ALA A 38 -4.792 0.973 -4.442 1.00 0.00 O ATOM 562 CB ALA A 38 -6.864 0.253 -2.139 1.00 0.00 C ATOM 0 H ALA A 38 -5.647 -1.577 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.169 -1.050 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.283 0.983 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.645 -0.440 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.464 0.768 -1.266 1.00 0.00 H new ATOM 568 N LEU A 39 -3.652 0.645 -2.536 1.00 0.00 N ATOM 569 CA LEU A 39 -2.565 1.534 -2.916 1.00 0.00 C ATOM 570 C LEU A 39 -1.652 0.872 -3.933 1.00 0.00 C ATOM 571 O LEU A 39 -1.194 1.502 -4.875 1.00 0.00 O ATOM 572 CB LEU A 39 -1.762 1.931 -1.687 1.00 0.00 C ATOM 573 CG LEU A 39 -1.730 3.437 -1.408 1.00 0.00 C ATOM 574 CD1 LEU A 39 -2.487 3.769 -0.134 1.00 0.00 C ATOM 575 CD2 LEU A 39 -0.295 3.932 -1.326 1.00 0.00 C ATOM 0 H LEU A 39 -3.545 0.211 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.998 2.426 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.177 1.422 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.739 1.575 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.224 3.947 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.449 4.844 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.526 3.454 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.030 3.248 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.291 5.004 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.224 3.412 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.212 3.736 -2.271 1.00 0.00 H new ATOM 587 N CYS A 40 -1.393 -0.404 -3.745 1.00 0.00 N ATOM 588 CA CYS A 40 -0.536 -1.130 -4.663 1.00 0.00 C ATOM 589 C CYS A 40 -1.178 -1.180 -6.041 1.00 0.00 C ATOM 590 O CYS A 40 -0.491 -1.231 -7.061 1.00 0.00 O ATOM 591 CB CYS A 40 -0.276 -2.544 -4.147 1.00 0.00 C ATOM 592 SG CYS A 40 0.793 -2.618 -2.673 1.00 0.00 S ATOM 0 H CYS A 40 -1.759 -0.959 -2.971 1.00 0.00 H new ATOM 0 HA CYS A 40 0.419 -0.611 -4.736 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.231 -3.014 -3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.182 -3.131 -4.943 1.00 0.00 H new ATOM 597 N CYS A 41 -2.506 -1.179 -6.057 1.00 0.00 N ATOM 598 CA CYS A 41 -3.257 -1.237 -7.301 1.00 0.00 C ATOM 599 C CYS A 41 -3.579 0.151 -7.858 1.00 0.00 C ATOM 600 O CYS A 41 -3.580 0.359 -9.072 1.00 0.00 O ATOM 601 CB CYS A 41 -4.538 -2.037 -7.071 1.00 0.00 C ATOM 602 SG CYS A 41 -6.036 -1.060 -6.713 1.00 0.00 S ATOM 0 H CYS A 41 -3.085 -1.138 -5.218 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.636 -1.730 -8.049 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.727 -2.645 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.370 -2.725 -6.242 1.00 0.00 H new ATOM 607 N GLU A 42 -3.895 1.079 -6.967 1.00 0.00 N ATOM 608 CA GLU A 42 -4.275 2.440 -7.374 1.00 0.00 C ATOM 609 C GLU A 42 -3.089 3.406 -7.478 1.00 0.00 C ATOM 610 O GLU A 42 -3.121 4.344 -8.275 1.00 0.00 O ATOM 611 CB GLU A 42 -5.306 3.010 -6.399 1.00 0.00 C ATOM 612 CG GLU A 42 -6.629 2.262 -6.405 1.00 0.00 C ATOM 613 CD GLU A 42 -7.781 3.115 -5.911 1.00 0.00 C ATOM 614 OE1 GLU A 42 -7.576 3.893 -4.955 1.00 0.00 O ATOM 615 OE2 GLU A 42 -8.888 3.006 -6.479 1.00 0.00 O ATOM 0 H GLU A 42 -3.898 0.924 -5.959 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.698 2.349 -8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.891 2.989 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.488 4.056 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.844 1.918 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.544 1.374 -5.778 1.00 0.00 H new ATOM 622 N HIS A 43 -2.061 3.196 -6.668 1.00 0.00 N ATOM 623 CA HIS A 43 -0.893 4.075 -6.672 1.00 0.00 C ATOM 624 C HIS A 43 0.048 3.758 -7.832 1.00 0.00 C ATOM 625 O HIS A 43 -0.225 2.874 -8.644 1.00 0.00 O ATOM 626 CB HIS A 43 -0.167 3.995 -5.329 1.00 0.00 C ATOM 627 CG HIS A 43 -0.419 5.192 -4.465 1.00 0.00 C ATOM 628 ND1 HIS A 43 -1.655 5.474 -3.918 1.00 0.00 N ATOM 629 CD2 HIS A 43 0.404 6.184 -4.055 1.00 0.00 C ATOM 630 CE1 HIS A 43 -1.579 6.589 -3.214 1.00 0.00 C ATOM 631 NE2 HIS A 43 -0.341 7.039 -3.280 1.00 0.00 N ATOM 0 H HIS A 43 -2.009 2.427 -6.000 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.240 5.098 -6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.486 3.097 -4.801 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.904 3.898 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.453 6.285 -4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.392 7.053 -2.676 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.007 7.885 -2.829 1.00 0.00 H new ATOM 640 N PRO A 44 1.159 4.506 -7.938 1.00 0.00 N ATOM 641 CA PRO A 44 2.135 4.335 -9.023 1.00 0.00 C ATOM 642 C PRO A 44 2.683 2.917 -9.116 1.00 0.00 C ATOM 643 O PRO A 44 3.749 2.616 -8.579 1.00 0.00 O ATOM 644 CB PRO A 44 3.247 5.326 -8.664 1.00 0.00 C ATOM 645 CG PRO A 44 2.587 6.342 -7.795 1.00 0.00 C ATOM 646 CD PRO A 44 1.539 5.596 -7.021 1.00 0.00 C ATOM 0 HA PRO A 44 1.684 4.515 -9.999 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.065 4.830 -8.141 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.671 5.785 -9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.308 6.812 -7.126 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.141 7.137 -8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.930 5.212 -6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.688 6.233 -6.777 1.00 0.00 H new ATOM 654 N GLY A 45 1.949 2.050 -9.815 1.00 0.00 N ATOM 655 CA GLY A 45 2.372 0.668 -9.985 1.00 0.00 C ATOM 656 C GLY A 45 2.912 0.056 -8.707 1.00 0.00 C ATOM 657 O GLY A 45 3.924 -0.643 -8.725 1.00 0.00 O ATOM 0 H GLY A 45 1.065 2.282 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.528 0.075 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.139 0.620 -10.758 1.00 0.00 H new ATOM 661 N GLY A 46 2.239 0.326 -7.595 1.00 0.00 N ATOM 662 CA GLY A 46 2.678 -0.205 -6.320 1.00 0.00 C ATOM 663 C GLY A 46 4.048 0.311 -5.931 1.00 0.00 C ATOM 664 O GLY A 46 4.828 -0.408 -5.311 1.00 0.00 O ATOM 0 H GLY A 46 1.398 0.902 -7.554 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.957 0.064 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.701 -1.294 -6.369 1.00 0.00 H new ATOM 668 N PHE A 47 4.326 1.563 -6.310 1.00 0.00 N ATOM 669 CA PHE A 47 5.603 2.230 -6.027 1.00 0.00 C ATOM 670 C PHE A 47 6.379 1.569 -4.878 1.00 0.00 C ATOM 671 O PHE A 47 6.939 0.489 -5.060 1.00 0.00 O ATOM 672 CB PHE A 47 5.380 3.729 -5.763 1.00 0.00 C ATOM 673 CG PHE A 47 4.369 4.058 -4.689 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.170 3.366 -4.578 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.627 5.079 -3.789 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.258 3.688 -3.594 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.715 5.403 -2.806 1.00 0.00 C ATOM 678 CZ PHE A 47 2.532 4.707 -2.709 1.00 0.00 C ATOM 0 H PHE A 47 3.667 2.147 -6.825 1.00 0.00 H new ATOM 0 HA PHE A 47 6.225 2.120 -6.915 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.335 4.177 -5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.062 4.200 -6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.949 2.567 -5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.554 5.628 -3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.330 3.141 -3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.929 6.203 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.818 4.960 -1.939 1.00 0.00 H new ATOM 688 N GLU A 48 6.442 2.203 -3.706 1.00 0.00 N ATOM 689 CA GLU A 48 7.185 1.611 -2.598 1.00 0.00 C ATOM 690 C GLU A 48 6.485 1.806 -1.258 1.00 0.00 C ATOM 691 O GLU A 48 5.680 2.719 -1.079 1.00 0.00 O ATOM 692 CB GLU A 48 8.591 2.207 -2.530 1.00 0.00 C ATOM 693 CG GLU A 48 9.421 1.688 -1.366 1.00 0.00 C ATOM 694 CD GLU A 48 10.897 1.995 -1.521 1.00 0.00 C ATOM 695 OE1 GLU A 48 11.333 2.257 -2.662 1.00 0.00 O ATOM 696 OE2 GLU A 48 11.619 1.972 -0.502 1.00 0.00 O ATOM 0 H GLU A 48 6.001 3.100 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 48 7.241 0.539 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.113 1.990 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.513 3.291 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.057 2.131 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.285 0.610 -1.279 1.00 0.00 H new ATOM 703 N TYR A 49 6.837 0.938 -0.320 1.00 0.00 N ATOM 704 CA TYR A 49 6.301 0.975 1.032 1.00 0.00 C ATOM 705 C TYR A 49 7.225 0.256 1.974 1.00 0.00 C ATOM 706 O TYR A 49 8.191 -0.387 1.566 1.00 0.00 O ATOM 707 CB TYR A 49 4.912 0.359 1.118 1.00 0.00 C ATOM 708 CG TYR A 49 4.881 -1.138 0.965 1.00 0.00 C ATOM 709 CD1 TYR A 49 5.472 -1.762 -0.123 1.00 0.00 C ATOM 710 CD2 TYR A 49 4.251 -1.927 1.914 1.00 0.00 C ATOM 711 CE1 TYR A 49 5.437 -3.134 -0.254 1.00 0.00 C ATOM 712 CE2 TYR A 49 4.213 -3.292 1.791 1.00 0.00 C ATOM 713 CZ TYR A 49 4.805 -3.893 0.710 1.00 0.00 C ATOM 714 OH TYR A 49 4.768 -5.257 0.599 1.00 0.00 O ATOM 0 H TYR A 49 7.506 0.184 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 49 6.219 2.024 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.471 0.622 2.079 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.283 0.803 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.966 -1.166 -0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.781 -1.458 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.901 -3.611 -1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.719 -3.891 2.542 1.00 0.00 H new ATOM 0 HH TYR A 49 3.997 -5.520 0.054 1.00 0.00 H new ATOM 724 N SER A 50 6.909 0.371 3.236 1.00 0.00 N ATOM 725 CA SER A 50 7.692 -0.263 4.274 1.00 0.00 C ATOM 726 C SER A 50 6.783 -0.712 5.394 1.00 0.00 C ATOM 727 O SER A 50 6.492 0.049 6.317 1.00 0.00 O ATOM 728 CB SER A 50 8.751 0.698 4.802 1.00 0.00 C ATOM 729 OG SER A 50 8.939 1.791 3.920 1.00 0.00 O ATOM 0 H SER A 50 6.108 0.902 3.577 1.00 0.00 H new ATOM 0 HA SER A 50 8.198 -1.134 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.454 1.067 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.694 0.167 4.933 1.00 0.00 H new ATOM 0 HG SER A 50 8.072 2.201 3.718 1.00 0.00 H new ATOM 735 N ASN A 51 6.321 -1.948 5.301 1.00 0.00 N ATOM 736 CA ASN A 51 5.425 -2.485 6.309 1.00 0.00 C ATOM 737 C ASN A 51 5.977 -2.250 7.700 1.00 0.00 C ATOM 738 O ASN A 51 7.134 -2.548 7.994 1.00 0.00 O ATOM 739 CB ASN A 51 5.171 -3.969 6.109 1.00 0.00 C ATOM 740 CG ASN A 51 4.339 -4.268 4.880 1.00 0.00 C ATOM 741 OD1 ASN A 51 4.762 -5.014 3.997 1.00 0.00 O ATOM 742 ND2 ASN A 51 3.143 -3.689 4.821 1.00 0.00 N ATOM 0 H ASN A 51 6.550 -2.593 4.544 1.00 0.00 H new ATOM 0 HA ASN A 51 4.477 -1.959 6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.126 -4.488 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.665 -4.367 6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.534 -3.856 4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.834 -3.078 5.577 1.00 0.00 H new ATOM 749 N GLY A 52 5.127 -1.708 8.536 1.00 0.00 N ATOM 750 CA GLY A 52 5.504 -1.413 9.908 1.00 0.00 C ATOM 751 C GLY A 52 5.605 0.078 10.172 1.00 0.00 C ATOM 752 O GLY A 52 5.423 0.880 9.259 1.00 0.00 O ATOM 0 H GLY A 52 4.167 -1.460 8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.771 -1.850 10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.462 -1.884 10.128 1.00 0.00 H new ATOM 756 N PRO A 53 5.884 0.483 11.422 1.00 0.00 N ATOM 757 CA PRO A 53 5.995 1.898 11.788 1.00 0.00 C ATOM 758 C PRO A 53 7.335 2.512 11.386 1.00 0.00 C ATOM 759 O PRO A 53 8.390 2.074 11.842 1.00 0.00 O ATOM 760 CB PRO A 53 5.859 1.867 13.309 1.00 0.00 C ATOM 761 CG PRO A 53 6.417 0.544 13.708 1.00 0.00 C ATOM 762 CD PRO A 53 6.104 -0.405 12.579 1.00 0.00 C ATOM 0 HA PRO A 53 5.248 2.510 11.282 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.409 2.686 13.773 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.818 1.967 13.616 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.492 0.610 13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.971 0.199 14.641 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.926 -1.098 12.400 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.221 -1.006 12.795 1.00 0.00 H new ATOM 770 N CYS A 54 7.281 3.532 10.533 1.00 0.00 N ATOM 771 CA CYS A 54 8.490 4.212 10.075 1.00 0.00 C ATOM 772 C CYS A 54 8.198 5.662 9.682 1.00 0.00 C ATOM 773 O CYS A 54 9.037 6.543 9.870 1.00 0.00 O ATOM 774 CB CYS A 54 9.131 3.470 8.893 1.00 0.00 C ATOM 775 SG CYS A 54 8.131 2.114 8.192 1.00 0.00 S ATOM 0 H CYS A 54 6.415 3.905 10.145 1.00 0.00 H new ATOM 0 HA CYS A 54 9.193 4.213 10.908 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.341 4.191 8.103 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.089 3.064 9.216 1.00 0.00 H new ATOM 780 N GLU A 55 7.010 5.905 9.133 1.00 0.00 N ATOM 781 CA GLU A 55 6.618 7.246 8.716 1.00 0.00 C ATOM 782 C GLU A 55 5.831 7.949 9.817 1.00 0.00 C ATOM 783 O GLU A 55 5.660 7.348 10.897 1.00 0.00 O ATOM 784 CB GLU A 55 5.782 7.178 7.431 1.00 0.00 C ATOM 785 CG GLU A 55 6.556 7.562 6.179 1.00 0.00 C ATOM 786 CD GLU A 55 7.807 6.728 5.981 1.00 0.00 C ATOM 787 OE1 GLU A 55 8.597 6.605 6.940 1.00 0.00 O ATOM 788 OE2 GLU A 55 7.997 6.198 4.865 1.00 0.00 O ATOM 789 OXT GLU A 55 5.393 9.097 9.590 1.00 0.00 O ATOM 0 H GLU A 55 6.303 5.189 8.967 1.00 0.00 H new ATOM 0 HA GLU A 55 7.523 7.821 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.395 6.166 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.921 7.839 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.909 7.450 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.832 8.615 6.237 1.00 0.00 H new TER 796 GLU A 55