USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 39 GLN : amide:sc= -0.264! K(o=0.73!,f=-2.2) USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0.992 K(o=0.73,f=-8.3!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -3.62! K(o=-3.5!,f=-0.46) USER MOD Set 2.2: A 23 SER OG : rot 120:sc= 0.109 USER MOD Set 3.1: A 4 HIS : no HD1:sc= -2.7! K(o=-7.4!,f=-6.6) USER MOD Set 3.2: A 9 GLN : amide:sc= -4.72! C(o=-7.4!,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0711 (180deg=-0.0486) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -1.87 K(o=-1.9,f=0.86) USER MOD Single : A 16 ASN : amide:sc= 1.15 K(o=1.1,f=-0.11) USER MOD Single : A 18 HIS : no HD1:sc= -0.876 K(o=-0.88,f=0) USER MOD Single : A 30 MET CE :methyl -108:sc= -0.0514 (180deg=-2.39!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.905 X(o=-0.91,f=-0.54) USER MOD Single : A 42 GLN : amide:sc= -0.998 K(o=-1,f=-0.0065) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.0019 (180deg=-0.107) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.756 K(o=-0.76,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc=-0.00317 (180deg=-0.0778) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.399 -6.870 12.876 1.00 0.00 N ATOM 2 CA MET A 1 62.541 -6.822 11.936 1.00 0.00 C ATOM 3 C MET A 1 63.301 -5.521 12.113 1.00 0.00 C ATOM 4 O MET A 1 62.760 -4.549 12.640 1.00 0.00 O ATOM 5 CB MET A 1 62.059 -6.940 10.488 1.00 0.00 C ATOM 6 CG MET A 1 61.449 -8.288 10.148 1.00 0.00 C ATOM 7 SD MET A 1 60.914 -8.388 8.428 1.00 0.00 S ATOM 8 CE MET A 1 60.323 -10.078 8.357 1.00 0.00 C ATOM 0 H1 MET A 1 61.502 -7.691 13.506 1.00 0.00 H new ATOM 0 H2 MET A 1 61.380 -5.999 13.443 1.00 0.00 H new ATOM 0 H3 MET A 1 60.512 -6.954 12.340 1.00 0.00 H new ATOM 0 HA MET A 1 63.199 -7.663 12.154 1.00 0.00 H new ATOM 0 HB2 MET A 1 61.322 -6.160 10.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 62.900 -6.754 9.820 1.00 0.00 H new ATOM 0 HG2 MET A 1 62.178 -9.074 10.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 60.597 -8.473 10.802 1.00 0.00 H new ATOM 0 HE1 MET A 1 59.958 -10.294 7.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 61.138 -10.759 8.601 1.00 0.00 H new ATOM 0 HE3 MET A 1 59.513 -10.211 9.074 1.00 0.00 H new ATOM 18 N GLU A 2 64.551 -5.498 11.672 1.00 0.00 N ATOM 19 CA GLU A 2 65.381 -4.312 11.806 1.00 0.00 C ATOM 20 C GLU A 2 65.063 -3.279 10.728 1.00 0.00 C ATOM 21 O GLU A 2 65.844 -3.075 9.797 1.00 0.00 O ATOM 22 CB GLU A 2 66.866 -4.675 11.756 1.00 0.00 C ATOM 23 CG GLU A 2 67.339 -5.502 12.936 1.00 0.00 C ATOM 24 CD GLU A 2 68.841 -5.697 12.934 1.00 0.00 C ATOM 25 OE1 GLU A 2 69.563 -4.807 13.431 1.00 0.00 O ATOM 26 OE2 GLU A 2 69.311 -6.737 12.429 1.00 0.00 O ATOM 0 H GLU A 2 65.011 -6.287 11.219 1.00 0.00 H new ATOM 0 HA GLU A 2 65.157 -3.872 12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 2 67.064 -5.226 10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 2 67.452 -3.757 11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 2 67.039 -5.013 13.863 1.00 0.00 H new ATOM 0 HG3 GLU A 2 66.848 -6.475 12.915 1.00 0.00 H new ATOM 33 N LEU A 3 63.909 -2.642 10.848 1.00 0.00 N ATOM 34 CA LEU A 3 63.546 -1.552 9.956 1.00 0.00 C ATOM 35 C LEU A 3 64.217 -0.274 10.435 1.00 0.00 C ATOM 36 O LEU A 3 63.800 0.317 11.429 1.00 0.00 O ATOM 37 CB LEU A 3 62.023 -1.368 9.904 1.00 0.00 C ATOM 38 CG LEU A 3 61.230 -2.595 9.447 1.00 0.00 C ATOM 39 CD1 LEU A 3 59.739 -2.295 9.456 1.00 0.00 C ATOM 40 CD2 LEU A 3 61.673 -3.032 8.060 1.00 0.00 C ATOM 0 H LEU A 3 63.207 -2.861 11.555 1.00 0.00 H new ATOM 0 HA LEU A 3 63.886 -1.790 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 3 61.675 -1.080 10.896 1.00 0.00 H new ATOM 0 HB3 LEU A 3 61.797 -0.539 9.233 1.00 0.00 H new ATOM 0 HG LEU A 3 61.426 -3.410 10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 3 59.188 -3.177 9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 3 59.428 -2.027 10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 3 59.531 -1.466 8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 3 61.098 -3.905 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 3 61.506 -2.220 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 3 62.733 -3.284 8.079 1.00 0.00 H new ATOM 52 N HIS A 4 65.275 0.133 9.752 1.00 0.00 N ATOM 53 CA HIS A 4 66.064 1.273 10.192 1.00 0.00 C ATOM 54 C HIS A 4 65.776 2.507 9.355 1.00 0.00 C ATOM 55 O HIS A 4 65.260 2.415 8.243 1.00 0.00 O ATOM 56 CB HIS A 4 67.558 0.960 10.129 1.00 0.00 C ATOM 57 CG HIS A 4 67.986 -0.170 11.011 1.00 0.00 C ATOM 58 ND1 HIS A 4 68.750 -1.221 10.561 1.00 0.00 N ATOM 59 CD2 HIS A 4 67.780 -0.395 12.331 1.00 0.00 C ATOM 60 CE1 HIS A 4 68.999 -2.042 11.560 1.00 0.00 C ATOM 61 NE2 HIS A 4 68.423 -1.566 12.646 1.00 0.00 N ATOM 0 H HIS A 4 65.607 -0.307 8.894 1.00 0.00 H new ATOM 0 HA HIS A 4 65.780 1.476 11.225 1.00 0.00 H new ATOM 0 HB2 HIS A 4 67.825 0.723 9.099 1.00 0.00 H new ATOM 0 HB3 HIS A 4 68.117 1.854 10.406 1.00 0.00 H new ATOM 0 HD2 HIS A 4 67.216 0.229 13.008 1.00 0.00 H new ATOM 0 HE1 HIS A 4 69.578 -2.952 11.500 1.00 0.00 H new ATOM 0 HE2 HIS A 4 68.451 -1.998 13.570 1.00 0.00 H new ATOM 70 N CYS A 5 66.119 3.659 9.905 1.00 0.00 N ATOM 71 CA CYS A 5 65.944 4.925 9.215 1.00 0.00 C ATOM 72 C CYS A 5 67.241 5.345 8.536 1.00 0.00 C ATOM 73 O CYS A 5 68.306 5.296 9.148 1.00 0.00 O ATOM 74 CB CYS A 5 65.550 6.012 10.202 1.00 0.00 C ATOM 75 SG CYS A 5 64.357 5.503 11.462 1.00 0.00 S ATOM 0 H CYS A 5 66.524 3.743 10.837 1.00 0.00 H new ATOM 0 HA CYS A 5 65.160 4.794 8.469 1.00 0.00 H new ATOM 0 HB2 CYS A 5 66.450 6.373 10.700 1.00 0.00 H new ATOM 0 HB3 CYS A 5 65.133 6.852 9.647 1.00 0.00 H new ATOM 80 N PRO A 6 67.175 5.779 7.273 1.00 0.00 N ATOM 81 CA PRO A 6 68.353 6.265 6.551 1.00 0.00 C ATOM 82 C PRO A 6 68.912 7.560 7.148 1.00 0.00 C ATOM 83 O PRO A 6 70.120 7.799 7.113 1.00 0.00 O ATOM 84 CB PRO A 6 67.837 6.504 5.129 1.00 0.00 C ATOM 85 CG PRO A 6 66.361 6.653 5.267 1.00 0.00 C ATOM 86 CD PRO A 6 65.960 5.804 6.439 1.00 0.00 C ATOM 0 HA PRO A 6 69.177 5.554 6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 6 68.284 7.398 4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 6 68.089 5.670 4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 6 66.089 7.696 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 6 65.851 6.329 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 6 65.113 6.233 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 6 65.666 4.802 6.127 1.00 0.00 H new ATOM 94 N GLN A 7 68.034 8.390 7.708 1.00 0.00 N ATOM 95 CA GLN A 7 68.454 9.673 8.266 1.00 0.00 C ATOM 96 C GLN A 7 68.658 9.600 9.777 1.00 0.00 C ATOM 97 O GLN A 7 69.683 10.046 10.292 1.00 0.00 O ATOM 98 CB GLN A 7 67.436 10.768 7.939 1.00 0.00 C ATOM 99 CG GLN A 7 67.282 11.040 6.454 1.00 0.00 C ATOM 100 CD GLN A 7 66.338 12.192 6.174 1.00 0.00 C ATOM 101 OE1 GLN A 7 66.754 13.346 6.094 1.00 0.00 O ATOM 102 NE2 GLN A 7 65.059 11.889 6.026 1.00 0.00 N ATOM 0 H GLN A 7 67.035 8.199 7.787 1.00 0.00 H new ATOM 0 HA GLN A 7 69.411 9.919 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 7 66.467 10.484 8.349 1.00 0.00 H new ATOM 0 HB3 GLN A 7 67.735 11.690 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.259 11.261 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 7 66.912 10.142 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 7 64.753 10.919 6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 7 64.379 12.626 5.838 1.00 0.00 H new ATOM 111 N CYS A 8 67.684 9.049 10.485 1.00 0.00 N ATOM 112 CA CYS A 8 67.756 8.971 11.936 1.00 0.00 C ATOM 113 C CYS A 8 67.696 7.520 12.392 1.00 0.00 C ATOM 114 O CYS A 8 66.648 7.024 12.821 1.00 0.00 O ATOM 115 CB CYS A 8 66.634 9.792 12.575 1.00 0.00 C ATOM 116 SG CYS A 8 64.980 9.375 11.973 1.00 0.00 S ATOM 0 H CYS A 8 66.837 8.650 10.080 1.00 0.00 H new ATOM 0 HA CYS A 8 68.708 9.391 12.260 1.00 0.00 H new ATOM 0 HB2 CYS A 8 66.663 9.648 13.655 1.00 0.00 H new ATOM 0 HB3 CYS A 8 66.821 10.850 12.389 1.00 0.00 H new ATOM 121 N GLN A 9 68.827 6.844 12.234 1.00 0.00 N ATOM 122 CA GLN A 9 68.987 5.436 12.598 1.00 0.00 C ATOM 123 C GLN A 9 68.430 5.111 13.984 1.00 0.00 C ATOM 124 O GLN A 9 68.946 5.580 15.001 1.00 0.00 O ATOM 125 CB GLN A 9 70.470 5.062 12.533 1.00 0.00 C ATOM 126 CG GLN A 9 70.974 4.853 11.115 1.00 0.00 C ATOM 127 CD GLN A 9 70.493 3.542 10.529 1.00 0.00 C ATOM 128 OE1 GLN A 9 69.438 3.036 10.905 1.00 0.00 O ATOM 129 NE2 GLN A 9 71.249 2.991 9.596 1.00 0.00 N ATOM 0 H GLN A 9 69.672 7.261 11.844 1.00 0.00 H new ATOM 0 HA GLN A 9 68.412 4.848 11.883 1.00 0.00 H new ATOM 0 HB2 GLN A 9 71.057 5.848 13.008 1.00 0.00 H new ATOM 0 HB3 GLN A 9 70.633 4.150 13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 9 70.637 5.677 10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 9 72.064 4.874 11.111 1.00 0.00 H new ATOM 0 HE21 GLN A 9 72.118 3.443 9.311 1.00 0.00 H new ATOM 0 HE22 GLN A 9 70.963 2.114 9.160 1.00 0.00 H new ATOM 138 N HIS A 10 67.362 4.322 14.003 1.00 0.00 N ATOM 139 CA HIS A 10 66.802 3.790 15.240 1.00 0.00 C ATOM 140 C HIS A 10 65.826 2.667 14.903 1.00 0.00 C ATOM 141 O HIS A 10 66.173 1.494 14.993 1.00 0.00 O ATOM 142 CB HIS A 10 66.107 4.883 16.066 1.00 0.00 C ATOM 143 CG HIS A 10 65.789 4.468 17.477 1.00 0.00 C ATOM 144 ND1 HIS A 10 66.445 4.976 18.577 1.00 0.00 N ATOM 145 CD2 HIS A 10 64.869 3.602 17.963 1.00 0.00 C ATOM 146 CE1 HIS A 10 65.939 4.441 19.674 1.00 0.00 C ATOM 147 NE2 HIS A 10 64.982 3.606 19.329 1.00 0.00 N ATOM 0 H HIS A 10 66.861 4.033 13.163 1.00 0.00 H new ATOM 0 HA HIS A 10 67.616 3.399 15.851 1.00 0.00 H new ATOM 0 HB2 HIS A 10 66.745 5.766 16.092 1.00 0.00 H new ATOM 0 HB3 HIS A 10 65.183 5.172 15.565 1.00 0.00 H new ATOM 0 HD2 HIS A 10 64.173 3.015 17.381 1.00 0.00 H new ATOM 0 HE1 HIS A 10 66.257 4.653 20.684 1.00 0.00 H new ATOM 0 HE2 HIS A 10 64.417 3.052 19.973 1.00 0.00 H new ATOM 156 N VAL A 11 64.615 3.029 14.482 1.00 0.00 N ATOM 157 CA VAL A 11 63.622 2.033 14.091 1.00 0.00 C ATOM 158 C VAL A 11 62.409 2.688 13.427 1.00 0.00 C ATOM 159 O VAL A 11 62.004 3.800 13.788 1.00 0.00 O ATOM 160 CB VAL A 11 63.154 1.181 15.300 1.00 0.00 C ATOM 161 CG1 VAL A 11 62.323 2.004 16.272 1.00 0.00 C ATOM 162 CG2 VAL A 11 62.382 -0.044 14.834 1.00 0.00 C ATOM 0 H VAL A 11 64.301 3.996 14.404 1.00 0.00 H new ATOM 0 HA VAL A 11 64.108 1.374 13.371 1.00 0.00 H new ATOM 0 HB VAL A 11 64.045 0.843 15.829 1.00 0.00 H new ATOM 0 HG11 VAL A 11 62.012 1.376 17.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 62.919 2.836 16.646 1.00 0.00 H new ATOM 0 HG13 VAL A 11 61.442 2.391 15.760 1.00 0.00 H new ATOM 0 HG21 VAL A 11 62.065 -0.625 15.700 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.506 0.272 14.268 1.00 0.00 H new ATOM 0 HG23 VAL A 11 63.022 -0.658 14.200 1.00 0.00 H new ATOM 172 N LEU A 12 61.869 2.005 12.428 1.00 0.00 N ATOM 173 CA LEU A 12 60.624 2.402 11.782 1.00 0.00 C ATOM 174 C LEU A 12 59.486 1.485 12.227 1.00 0.00 C ATOM 175 O LEU A 12 59.673 0.274 12.361 1.00 0.00 O ATOM 176 CB LEU A 12 60.766 2.329 10.259 1.00 0.00 C ATOM 177 CG LEU A 12 61.742 3.330 9.641 1.00 0.00 C ATOM 178 CD1 LEU A 12 61.972 3.014 8.172 1.00 0.00 C ATOM 179 CD2 LEU A 12 61.209 4.745 9.796 1.00 0.00 C ATOM 0 H LEU A 12 62.283 1.157 12.041 1.00 0.00 H new ATOM 0 HA LEU A 12 60.399 3.428 12.072 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.085 1.322 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.784 2.482 9.812 1.00 0.00 H new ATOM 0 HG LEU A 12 62.695 3.252 10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 12 62.669 3.737 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.387 2.011 8.076 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.025 3.067 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 12 61.912 5.449 9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.246 4.828 9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 12 61.086 4.974 10.855 1.00 0.00 H new ATOM 191 N ASP A 13 58.313 2.057 12.455 1.00 0.00 N ATOM 192 CA ASP A 13 57.145 1.268 12.823 1.00 0.00 C ATOM 193 C ASP A 13 56.339 0.938 11.574 1.00 0.00 C ATOM 194 O ASP A 13 56.232 1.761 10.661 1.00 0.00 O ATOM 195 CB ASP A 13 56.282 2.024 13.836 1.00 0.00 C ATOM 196 CG ASP A 13 55.124 1.194 14.353 1.00 0.00 C ATOM 197 OD1 ASP A 13 55.377 0.124 14.945 1.00 0.00 O ATOM 198 OD2 ASP A 13 53.960 1.617 14.199 1.00 0.00 O ATOM 0 H ASP A 13 58.144 3.061 12.392 1.00 0.00 H new ATOM 0 HA ASP A 13 57.475 0.340 13.289 1.00 0.00 H new ATOM 0 HB2 ASP A 13 56.903 2.336 14.675 1.00 0.00 H new ATOM 0 HB3 ASP A 13 55.895 2.931 13.372 1.00 0.00 H new ATOM 203 N GLN A 14 55.793 -0.267 11.517 1.00 0.00 N ATOM 204 CA GLN A 14 55.093 -0.717 10.326 1.00 0.00 C ATOM 205 C GLN A 14 53.645 -1.089 10.637 1.00 0.00 C ATOM 206 O GLN A 14 53.372 -2.144 11.215 1.00 0.00 O ATOM 207 CB GLN A 14 55.819 -1.915 9.717 1.00 0.00 C ATOM 208 CG GLN A 14 55.378 -2.235 8.300 1.00 0.00 C ATOM 209 CD GLN A 14 56.135 -1.445 7.244 1.00 0.00 C ATOM 210 OE1 GLN A 14 56.300 -1.911 6.116 1.00 0.00 O ATOM 211 NE2 GLN A 14 56.614 -0.258 7.595 1.00 0.00 N ATOM 0 H GLN A 14 55.821 -0.947 12.277 1.00 0.00 H new ATOM 0 HA GLN A 14 55.083 0.105 9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 14 56.891 -1.720 9.720 1.00 0.00 H new ATOM 0 HB3 GLN A 14 55.653 -2.789 10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 14 55.516 -3.300 8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 14 54.312 -2.030 8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 14 56.458 0.096 8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 14 57.138 0.300 6.921 1.00 0.00 H new ATOM 220 N ASP A 15 52.730 -0.207 10.274 1.00 0.00 N ATOM 221 CA ASP A 15 51.300 -0.478 10.399 1.00 0.00 C ATOM 222 C ASP A 15 50.640 -0.431 9.026 1.00 0.00 C ATOM 223 O ASP A 15 49.708 -1.182 8.735 1.00 0.00 O ATOM 224 CB ASP A 15 50.638 0.537 11.338 1.00 0.00 C ATOM 225 CG ASP A 15 50.687 1.954 10.800 1.00 0.00 C ATOM 226 OD1 ASP A 15 51.799 2.480 10.603 1.00 0.00 O ATOM 227 OD2 ASP A 15 49.614 2.544 10.557 1.00 0.00 O ATOM 0 H ASP A 15 52.950 0.711 9.887 1.00 0.00 H new ATOM 0 HA ASP A 15 51.171 -1.474 10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 15 49.599 0.251 11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 15 51.133 0.504 12.308 1.00 0.00 H new ATOM 232 N ASN A 16 51.137 0.464 8.187 1.00 0.00 N ATOM 233 CA ASN A 16 50.682 0.585 6.809 1.00 0.00 C ATOM 234 C ASN A 16 51.889 0.640 5.892 1.00 0.00 C ATOM 235 O ASN A 16 53.001 0.324 6.312 1.00 0.00 O ATOM 236 CB ASN A 16 49.839 1.853 6.621 1.00 0.00 C ATOM 237 CG ASN A 16 48.407 1.697 7.096 1.00 0.00 C ATOM 238 OD1 ASN A 16 47.531 1.291 6.332 1.00 0.00 O ATOM 239 ND2 ASN A 16 48.155 2.011 8.355 1.00 0.00 N ATOM 0 H ASN A 16 51.868 1.128 8.442 1.00 0.00 H new ATOM 0 HA ASN A 16 50.063 -0.279 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 16 50.307 2.675 7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 16 49.837 2.126 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 16 47.208 1.920 8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 16 48.907 2.344 8.958 1.00 0.00 H new ATOM 246 N GLY A 17 51.681 1.071 4.654 1.00 0.00 N ATOM 247 CA GLY A 17 52.792 1.269 3.743 1.00 0.00 C ATOM 248 C GLY A 17 53.483 2.594 3.998 1.00 0.00 C ATOM 249 O GLY A 17 54.022 3.217 3.088 1.00 0.00 O ATOM 0 H GLY A 17 50.763 1.287 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 17 53.508 0.455 3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 17 52.432 1.236 2.715 1.00 0.00 H new ATOM 253 N HIS A 18 53.448 3.034 5.243 1.00 0.00 N ATOM 254 CA HIS A 18 54.075 4.276 5.651 1.00 0.00 C ATOM 255 C HIS A 18 54.896 4.019 6.904 1.00 0.00 C ATOM 256 O HIS A 18 54.361 3.584 7.922 1.00 0.00 O ATOM 257 CB HIS A 18 53.024 5.362 5.923 1.00 0.00 C ATOM 258 CG HIS A 18 52.124 5.655 4.757 1.00 0.00 C ATOM 259 ND1 HIS A 18 50.750 5.702 4.860 1.00 0.00 N ATOM 260 CD2 HIS A 18 52.410 5.927 3.462 1.00 0.00 C ATOM 261 CE1 HIS A 18 50.231 5.984 3.680 1.00 0.00 C ATOM 262 NE2 HIS A 18 51.216 6.126 2.815 1.00 0.00 N ATOM 0 H HIS A 18 52.982 2.537 6.002 1.00 0.00 H new ATOM 0 HA HIS A 18 54.719 4.632 4.847 1.00 0.00 H new ATOM 0 HB2 HIS A 18 52.412 5.055 6.771 1.00 0.00 H new ATOM 0 HB3 HIS A 18 53.534 6.280 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 18 53.394 5.978 3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 18 49.178 6.082 3.460 1.00 0.00 H new ATOM 0 HE2 HIS A 18 51.108 6.348 1.825 1.00 0.00 H new ATOM 271 N ALA A 19 56.187 4.280 6.827 1.00 0.00 N ATOM 272 CA ALA A 19 57.085 3.990 7.929 1.00 0.00 C ATOM 273 C ALA A 19 57.227 5.198 8.843 1.00 0.00 C ATOM 274 O ALA A 19 57.951 6.147 8.539 1.00 0.00 O ATOM 275 CB ALA A 19 58.444 3.563 7.400 1.00 0.00 C ATOM 0 H ALA A 19 56.638 4.693 6.011 1.00 0.00 H new ATOM 0 HA ALA A 19 56.662 3.171 8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.109 3.348 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.331 2.669 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 19 58.868 4.365 6.796 1.00 0.00 H new ATOM 281 N ARG A 20 56.510 5.170 9.950 1.00 0.00 N ATOM 282 CA ARG A 20 56.603 6.232 10.933 1.00 0.00 C ATOM 283 C ARG A 20 57.515 5.814 12.072 1.00 0.00 C ATOM 284 O ARG A 20 57.369 4.730 12.632 1.00 0.00 O ATOM 285 CB ARG A 20 55.220 6.607 11.463 1.00 0.00 C ATOM 286 CG ARG A 20 54.434 7.494 10.511 1.00 0.00 C ATOM 287 CD ARG A 20 53.064 7.843 11.067 1.00 0.00 C ATOM 288 NE ARG A 20 52.451 8.947 10.332 1.00 0.00 N ATOM 289 CZ ARG A 20 51.154 9.027 10.038 1.00 0.00 C ATOM 290 NH1 ARG A 20 50.329 8.040 10.359 1.00 0.00 N ATOM 291 NH2 ARG A 20 50.687 10.095 9.404 1.00 0.00 N ATOM 0 H ARG A 20 55.857 4.424 10.191 1.00 0.00 H new ATOM 0 HA ARG A 20 57.028 7.111 10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.652 5.696 11.654 1.00 0.00 H new ATOM 0 HB3 ARG A 20 55.331 7.119 12.419 1.00 0.00 H new ATOM 0 HG2 ARG A 20 54.994 8.410 10.322 1.00 0.00 H new ATOM 0 HG3 ARG A 20 54.319 6.987 9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 20 52.416 6.968 11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 20 53.155 8.112 12.119 1.00 0.00 H new ATOM 0 HE ARG A 20 53.057 9.707 10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 20 50.686 7.211 10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 20 49.337 8.109 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.320 10.851 9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 20 49.695 10.160 9.177 1.00 0.00 H new ATOM 305 N CYS A 21 58.472 6.665 12.392 1.00 0.00 N ATOM 306 CA CYS A 21 59.412 6.384 13.461 1.00 0.00 C ATOM 307 C CYS A 21 58.730 6.434 14.819 1.00 0.00 C ATOM 308 O CYS A 21 58.407 7.514 15.319 1.00 0.00 O ATOM 309 CB CYS A 21 60.553 7.392 13.436 1.00 0.00 C ATOM 310 SG CYS A 21 61.408 7.505 11.851 1.00 0.00 S ATOM 0 H CYS A 21 58.619 7.560 11.925 1.00 0.00 H new ATOM 0 HA CYS A 21 59.804 5.379 13.303 1.00 0.00 H new ATOM 0 HB2 CYS A 21 60.160 8.375 13.694 1.00 0.00 H new ATOM 0 HB3 CYS A 21 61.275 7.125 14.207 1.00 0.00 H new ATOM 315 N ARG A 22 58.526 5.271 15.420 1.00 0.00 N ATOM 316 CA ARG A 22 57.952 5.185 16.759 1.00 0.00 C ATOM 317 C ARG A 22 59.050 5.439 17.797 1.00 0.00 C ATOM 318 O ARG A 22 59.192 4.706 18.773 1.00 0.00 O ATOM 319 CB ARG A 22 57.310 3.804 16.961 1.00 0.00 C ATOM 320 CG ARG A 22 56.061 3.807 17.838 1.00 0.00 C ATOM 321 CD ARG A 22 56.382 4.077 19.297 1.00 0.00 C ATOM 322 NE ARG A 22 55.179 4.120 20.124 1.00 0.00 N ATOM 323 CZ ARG A 22 55.180 3.991 21.448 1.00 0.00 C ATOM 324 NH1 ARG A 22 56.313 3.774 22.104 1.00 0.00 N ATOM 325 NH2 ARG A 22 54.038 4.065 22.118 1.00 0.00 N ATOM 0 H ARG A 22 58.750 4.368 15.001 1.00 0.00 H new ATOM 0 HA ARG A 22 57.176 5.941 16.881 1.00 0.00 H new ATOM 0 HB2 ARG A 22 57.052 3.391 15.986 1.00 0.00 H new ATOM 0 HB3 ARG A 22 58.048 3.136 17.405 1.00 0.00 H new ATOM 0 HG2 ARG A 22 55.367 4.565 17.475 1.00 0.00 H new ATOM 0 HG3 ARG A 22 55.557 2.845 17.751 1.00 0.00 H new ATOM 0 HD2 ARG A 22 57.051 3.302 19.670 1.00 0.00 H new ATOM 0 HD3 ARG A 22 56.914 5.025 19.382 1.00 0.00 H new ATOM 0 HE ARG A 22 54.282 4.257 19.657 1.00 0.00 H new ATOM 0 HH11 ARG A 22 57.193 3.705 21.593 1.00 0.00 H new ATOM 0 HH12 ARG A 22 56.304 3.676 23.119 1.00 0.00 H new ATOM 0 HH21 ARG A 22 53.163 4.220 21.618 1.00 0.00 H new ATOM 0 HH22 ARG A 22 54.035 3.967 23.133 1.00 0.00 H new ATOM 339 N SER A 23 59.826 6.491 17.563 1.00 0.00 N ATOM 340 CA SER A 23 60.946 6.840 18.421 1.00 0.00 C ATOM 341 C SER A 23 61.576 8.160 17.983 1.00 0.00 C ATOM 342 O SER A 23 61.379 9.193 18.621 1.00 0.00 O ATOM 343 CB SER A 23 61.994 5.721 18.405 1.00 0.00 C ATOM 344 OG SER A 23 62.257 5.289 17.077 1.00 0.00 O ATOM 0 H SER A 23 59.695 7.124 16.774 1.00 0.00 H new ATOM 0 HA SER A 23 60.573 6.961 19.438 1.00 0.00 H new ATOM 0 HB2 SER A 23 62.916 6.075 18.866 1.00 0.00 H new ATOM 0 HB3 SER A 23 61.642 4.880 19.002 1.00 0.00 H new ATOM 0 HG SER A 23 63.204 5.430 16.869 1.00 0.00 H new ATOM 350 N CYS A 24 62.308 8.121 16.869 1.00 0.00 N ATOM 351 CA CYS A 24 63.051 9.284 16.388 1.00 0.00 C ATOM 352 C CYS A 24 62.134 10.403 15.868 1.00 0.00 C ATOM 353 O CYS A 24 62.556 11.553 15.766 1.00 0.00 O ATOM 354 CB CYS A 24 64.069 8.857 15.319 1.00 0.00 C ATOM 355 SG CYS A 24 63.726 7.256 14.526 1.00 0.00 S ATOM 0 H CYS A 24 62.402 7.292 16.281 1.00 0.00 H new ATOM 0 HA CYS A 24 63.586 9.702 17.241 1.00 0.00 H new ATOM 0 HB2 CYS A 24 64.108 9.626 14.548 1.00 0.00 H new ATOM 0 HB3 CYS A 24 65.057 8.814 15.777 1.00 0.00 H new ATOM 360 N GLY A 25 60.886 10.069 15.548 1.00 0.00 N ATOM 361 CA GLY A 25 59.918 11.090 15.163 1.00 0.00 C ATOM 362 C GLY A 25 60.059 11.557 13.723 1.00 0.00 C ATOM 363 O GLY A 25 59.753 12.704 13.401 1.00 0.00 O ATOM 0 H GLY A 25 60.526 9.115 15.547 1.00 0.00 H new ATOM 0 HA2 GLY A 25 58.912 10.698 15.311 1.00 0.00 H new ATOM 0 HA3 GLY A 25 60.026 11.948 15.826 1.00 0.00 H new ATOM 367 N GLU A 26 60.525 10.673 12.862 1.00 0.00 N ATOM 368 CA GLU A 26 60.661 10.966 11.441 1.00 0.00 C ATOM 369 C GLU A 26 59.529 10.297 10.660 1.00 0.00 C ATOM 370 O GLU A 26 58.988 9.274 11.097 1.00 0.00 O ATOM 371 CB GLU A 26 62.044 10.496 10.972 1.00 0.00 C ATOM 372 CG GLU A 26 62.097 9.889 9.577 1.00 0.00 C ATOM 373 CD GLU A 26 63.322 9.016 9.398 1.00 0.00 C ATOM 374 OE1 GLU A 26 63.484 8.047 10.193 1.00 0.00 O ATOM 375 OE2 GLU A 26 64.145 9.306 8.507 1.00 0.00 O ATOM 0 H GLU A 26 60.820 9.732 13.123 1.00 0.00 H new ATOM 0 HA GLU A 26 60.584 12.038 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 26 62.726 11.345 11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 26 62.418 9.759 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 26 61.198 9.297 9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 26 62.104 10.685 8.833 1.00 0.00 H new ATOM 382 N PHE A 27 59.154 10.884 9.532 1.00 0.00 N ATOM 383 CA PHE A 27 58.085 10.336 8.711 1.00 0.00 C ATOM 384 C PHE A 27 58.622 9.880 7.358 1.00 0.00 C ATOM 385 O PHE A 27 59.284 10.639 6.650 1.00 0.00 O ATOM 386 CB PHE A 27 56.954 11.364 8.528 1.00 0.00 C ATOM 387 CG PHE A 27 57.353 12.621 7.797 1.00 0.00 C ATOM 388 CD1 PHE A 27 58.073 13.616 8.438 1.00 0.00 C ATOM 389 CD2 PHE A 27 57.000 12.807 6.470 1.00 0.00 C ATOM 390 CE1 PHE A 27 58.433 14.773 7.769 1.00 0.00 C ATOM 391 CE2 PHE A 27 57.356 13.959 5.796 1.00 0.00 C ATOM 392 CZ PHE A 27 58.074 14.943 6.446 1.00 0.00 C ATOM 0 H PHE A 27 59.574 11.738 9.165 1.00 0.00 H new ATOM 0 HA PHE A 27 57.675 9.467 9.226 1.00 0.00 H new ATOM 0 HB2 PHE A 27 56.136 10.890 7.986 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.569 11.638 9.510 1.00 0.00 H new ATOM 0 HD1 PHE A 27 58.357 13.487 9.472 1.00 0.00 H new ATOM 0 HD2 PHE A 27 56.439 12.041 5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 27 58.994 15.541 8.280 1.00 0.00 H new ATOM 0 HE2 PHE A 27 57.073 14.090 4.762 1.00 0.00 H new ATOM 0 HZ PHE A 27 58.354 15.844 5.921 1.00 0.00 H new ATOM 402 N ILE A 28 58.362 8.625 7.028 1.00 0.00 N ATOM 403 CA ILE A 28 58.743 8.068 5.739 1.00 0.00 C ATOM 404 C ILE A 28 57.556 7.322 5.145 1.00 0.00 C ATOM 405 O ILE A 28 56.740 6.769 5.879 1.00 0.00 O ATOM 406 CB ILE A 28 59.935 7.085 5.866 1.00 0.00 C ATOM 407 CG1 ILE A 28 61.120 7.750 6.570 1.00 0.00 C ATOM 408 CG2 ILE A 28 60.358 6.578 4.495 1.00 0.00 C ATOM 409 CD1 ILE A 28 62.292 6.815 6.788 1.00 0.00 C ATOM 0 H ILE A 28 57.883 7.966 7.642 1.00 0.00 H new ATOM 0 HA ILE A 28 59.047 8.894 5.095 1.00 0.00 H new ATOM 0 HB ILE A 28 59.608 6.237 6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 28 61.451 8.604 5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 28 60.790 8.138 7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 28 61.196 5.889 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 28 59.522 6.061 4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 28 60.660 7.420 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 28 63.096 7.351 7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 28 61.976 5.973 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 28 62.648 6.447 5.826 1.00 0.00 H new ATOM 421 N GLU A 29 57.435 7.316 3.831 1.00 0.00 N ATOM 422 CA GLU A 29 56.401 6.530 3.188 1.00 0.00 C ATOM 423 C GLU A 29 57.026 5.463 2.305 1.00 0.00 C ATOM 424 O GLU A 29 58.118 5.645 1.764 1.00 0.00 O ATOM 425 CB GLU A 29 55.456 7.413 2.370 1.00 0.00 C ATOM 426 CG GLU A 29 56.123 8.151 1.226 1.00 0.00 C ATOM 427 CD GLU A 29 55.116 8.836 0.328 1.00 0.00 C ATOM 428 OE1 GLU A 29 54.624 9.922 0.697 1.00 0.00 O ATOM 429 OE2 GLU A 29 54.803 8.289 -0.750 1.00 0.00 O ATOM 0 H GLU A 29 58.034 7.841 3.194 1.00 0.00 H new ATOM 0 HA GLU A 29 55.813 6.046 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 29 54.655 6.792 1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 29 54.992 8.141 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 29 56.814 8.892 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 29 56.714 7.449 0.638 1.00 0.00 H new ATOM 436 N MET A 30 56.348 4.341 2.187 1.00 0.00 N ATOM 437 CA MET A 30 56.803 3.266 1.331 1.00 0.00 C ATOM 438 C MET A 30 55.886 3.189 0.124 1.00 0.00 C ATOM 439 O MET A 30 54.708 2.848 0.246 1.00 0.00 O ATOM 440 CB MET A 30 56.823 1.942 2.096 1.00 0.00 C ATOM 441 CG MET A 30 57.622 2.012 3.389 1.00 0.00 C ATOM 442 SD MET A 30 57.678 0.444 4.276 1.00 0.00 S ATOM 443 CE MET A 30 58.658 -0.546 3.150 1.00 0.00 C ATOM 0 H MET A 30 55.474 4.149 2.677 1.00 0.00 H new ATOM 0 HA MET A 30 57.822 3.462 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 30 55.799 1.646 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 30 57.245 1.166 1.457 1.00 0.00 H new ATOM 0 HG2 MET A 30 58.640 2.330 3.163 1.00 0.00 H new ATOM 0 HG3 MET A 30 57.187 2.773 4.037 1.00 0.00 H new ATOM 0 HE1 MET A 30 58.019 -1.282 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 30 59.109 0.099 2.396 1.00 0.00 H new ATOM 0 HE3 MET A 30 59.443 -1.059 3.705 1.00 0.00 H new ATOM 453 N LYS A 31 56.426 3.523 -1.033 1.00 0.00 N ATOM 454 CA LYS A 31 55.622 3.679 -2.232 1.00 0.00 C ATOM 455 C LYS A 31 55.193 2.320 -2.765 1.00 0.00 C ATOM 456 O LYS A 31 56.031 1.481 -3.100 1.00 0.00 O ATOM 457 CB LYS A 31 56.421 4.439 -3.290 1.00 0.00 C ATOM 458 CG LYS A 31 55.587 4.953 -4.450 1.00 0.00 C ATOM 459 CD LYS A 31 56.457 5.664 -5.473 1.00 0.00 C ATOM 460 CE LYS A 31 55.620 6.323 -6.557 1.00 0.00 C ATOM 461 NZ LYS A 31 56.464 7.004 -7.573 1.00 0.00 N ATOM 0 H LYS A 31 57.423 3.692 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 31 54.725 4.247 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 31 56.921 5.283 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.201 3.785 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 31 55.067 4.121 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 31 54.823 5.637 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 31 57.065 6.418 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.144 4.950 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 31 55.001 5.570 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 31 54.943 7.047 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 55.855 7.440 -8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 57.037 7.740 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 57.092 6.309 -8.025 1.00 0.00 H new ATOM 475 N ALA A 32 53.884 2.107 -2.825 1.00 0.00 N ATOM 476 CA ALA A 32 53.328 0.839 -3.276 1.00 0.00 C ATOM 477 C ALA A 32 53.344 0.748 -4.796 1.00 0.00 C ATOM 478 O ALA A 32 52.450 1.265 -5.476 1.00 0.00 O ATOM 479 CB ALA A 32 51.914 0.662 -2.743 1.00 0.00 C ATOM 0 H ALA A 32 53.184 2.802 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 32 53.950 0.034 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.511 -0.290 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.932 0.675 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.284 1.475 -3.105 1.00 0.00 H new ATOM 485 N LEU A 33 54.374 0.107 -5.322 1.00 0.00 N ATOM 486 CA LEU A 33 54.544 -0.028 -6.758 1.00 0.00 C ATOM 487 C LEU A 33 54.328 -1.468 -7.199 1.00 0.00 C ATOM 488 O LEU A 33 54.388 -2.398 -6.394 1.00 0.00 O ATOM 489 CB LEU A 33 55.950 0.417 -7.163 1.00 0.00 C ATOM 490 CG LEU A 33 56.313 1.852 -6.792 1.00 0.00 C ATOM 491 CD1 LEU A 33 57.737 2.165 -7.227 1.00 0.00 C ATOM 492 CD2 LEU A 33 55.332 2.827 -7.420 1.00 0.00 C ATOM 0 H LEU A 33 55.111 -0.332 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 33 53.802 0.604 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 33 56.673 -0.254 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.053 0.301 -8.242 1.00 0.00 H new ATOM 0 HG LEU A 33 56.253 1.959 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 33 57.983 3.192 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 33 58.427 1.483 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 33 57.822 2.044 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 33 55.605 3.846 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.360 2.724 -8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.325 2.612 -7.061 1.00 0.00 H new ATOM 504 N CYS A 34 54.062 -1.646 -8.481 1.00 0.00 N ATOM 505 CA CYS A 34 53.988 -2.975 -9.061 1.00 0.00 C ATOM 506 C CYS A 34 55.381 -3.403 -9.509 1.00 0.00 C ATOM 507 O CYS A 34 55.982 -2.756 -10.362 1.00 0.00 O ATOM 508 CB CYS A 34 53.019 -2.980 -10.241 1.00 0.00 C ATOM 509 SG CYS A 34 52.774 -4.605 -10.999 1.00 0.00 S ATOM 0 H CYS A 34 53.894 -0.886 -9.140 1.00 0.00 H new ATOM 0 HA CYS A 34 53.619 -3.680 -8.316 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.054 -2.600 -9.905 1.00 0.00 H new ATOM 0 HB3 CYS A 34 53.387 -2.290 -11.000 1.00 0.00 H new ATOM 514 N PRO A 35 55.895 -4.514 -8.960 1.00 0.00 N ATOM 515 CA PRO A 35 57.291 -4.943 -9.158 1.00 0.00 C ATOM 516 C PRO A 35 57.694 -5.114 -10.626 1.00 0.00 C ATOM 517 O PRO A 35 58.878 -5.062 -10.959 1.00 0.00 O ATOM 518 CB PRO A 35 57.367 -6.293 -8.430 1.00 0.00 C ATOM 519 CG PRO A 35 55.952 -6.714 -8.216 1.00 0.00 C ATOM 520 CD PRO A 35 55.157 -5.448 -8.095 1.00 0.00 C ATOM 0 HA PRO A 35 57.978 -4.186 -8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 35 57.909 -7.029 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 35 57.895 -6.198 -7.481 1.00 0.00 H new ATOM 0 HG2 PRO A 35 55.595 -7.320 -9.049 1.00 0.00 H new ATOM 0 HG3 PRO A 35 55.858 -7.321 -7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 35 54.129 -5.583 -8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 35 55.113 -5.095 -7.065 1.00 0.00 H new ATOM 528 N ASP A 36 56.716 -5.303 -11.500 1.00 0.00 N ATOM 529 CA ASP A 36 56.995 -5.562 -12.911 1.00 0.00 C ATOM 530 C ASP A 36 57.013 -4.285 -13.755 1.00 0.00 C ATOM 531 O ASP A 36 57.472 -4.304 -14.896 1.00 0.00 O ATOM 532 CB ASP A 36 55.977 -6.551 -13.490 1.00 0.00 C ATOM 533 CG ASP A 36 54.536 -6.130 -13.260 1.00 0.00 C ATOM 534 OD1 ASP A 36 54.202 -4.944 -13.455 1.00 0.00 O ATOM 535 OD2 ASP A 36 53.713 -6.978 -12.889 1.00 0.00 O ATOM 0 H ASP A 36 55.725 -5.283 -11.261 1.00 0.00 H new ATOM 0 HA ASP A 36 57.994 -5.996 -12.954 1.00 0.00 H new ATOM 0 HB2 ASP A 36 56.151 -6.657 -14.561 1.00 0.00 H new ATOM 0 HB3 ASP A 36 56.138 -7.532 -13.043 1.00 0.00 H new ATOM 540 N CYS A 37 56.516 -3.177 -13.217 1.00 0.00 N ATOM 541 CA CYS A 37 56.435 -1.944 -14.003 1.00 0.00 C ATOM 542 C CYS A 37 56.786 -0.695 -13.191 1.00 0.00 C ATOM 543 O CYS A 37 56.797 0.405 -13.732 1.00 0.00 O ATOM 544 CB CYS A 37 55.038 -1.804 -14.622 1.00 0.00 C ATOM 545 SG CYS A 37 53.668 -2.170 -13.488 1.00 0.00 S ATOM 0 H CYS A 37 56.169 -3.103 -12.261 1.00 0.00 H new ATOM 0 HA CYS A 37 57.181 -2.022 -14.794 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.921 -0.787 -14.996 1.00 0.00 H new ATOM 0 HB3 CYS A 37 54.968 -2.470 -15.482 1.00 0.00 H new ATOM 550 N HIS A 38 57.066 -0.881 -11.899 1.00 0.00 N ATOM 551 CA HIS A 38 57.402 0.204 -10.953 1.00 0.00 C ATOM 552 C HIS A 38 56.375 1.344 -10.950 1.00 0.00 C ATOM 553 O HIS A 38 56.632 2.412 -10.391 1.00 0.00 O ATOM 554 CB HIS A 38 58.834 0.753 -11.175 1.00 0.00 C ATOM 555 CG HIS A 38 59.030 1.642 -12.376 1.00 0.00 C ATOM 556 ND1 HIS A 38 59.783 1.271 -13.468 1.00 0.00 N ATOM 557 CD2 HIS A 38 58.599 2.903 -12.638 1.00 0.00 C ATOM 558 CE1 HIS A 38 59.804 2.258 -14.344 1.00 0.00 C ATOM 559 NE2 HIS A 38 59.095 3.260 -13.866 1.00 0.00 N ATOM 0 H HIS A 38 57.068 -1.804 -11.466 1.00 0.00 H new ATOM 0 HA HIS A 38 57.367 -0.255 -9.965 1.00 0.00 H new ATOM 0 HB2 HIS A 38 59.128 1.310 -10.286 1.00 0.00 H new ATOM 0 HB3 HIS A 38 59.515 -0.093 -11.261 1.00 0.00 H new ATOM 0 HD2 HIS A 38 57.979 3.513 -11.997 1.00 0.00 H new ATOM 0 HE1 HIS A 38 60.317 2.246 -15.294 1.00 0.00 H new ATOM 0 HE2 HIS A 38 58.940 4.154 -14.332 1.00 0.00 H new ATOM 568 N GLN A 39 55.214 1.121 -11.551 1.00 0.00 N ATOM 569 CA GLN A 39 54.169 2.130 -11.556 1.00 0.00 C ATOM 570 C GLN A 39 53.281 1.968 -10.333 1.00 0.00 C ATOM 571 O GLN A 39 53.087 0.846 -9.847 1.00 0.00 O ATOM 572 CB GLN A 39 53.335 2.048 -12.836 1.00 0.00 C ATOM 573 CG GLN A 39 54.136 2.317 -14.099 1.00 0.00 C ATOM 574 CD GLN A 39 53.267 2.418 -15.337 1.00 0.00 C ATOM 575 OE1 GLN A 39 53.691 2.061 -16.436 1.00 0.00 O ATOM 576 NE2 GLN A 39 52.055 2.925 -15.179 1.00 0.00 N ATOM 0 H GLN A 39 54.975 0.257 -12.037 1.00 0.00 H new ATOM 0 HA GLN A 39 54.640 3.112 -11.523 1.00 0.00 H new ATOM 0 HB2 GLN A 39 52.885 1.057 -12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 39 52.517 2.766 -12.774 1.00 0.00 H new ATOM 0 HG2 GLN A 39 54.696 3.244 -13.978 1.00 0.00 H new ATOM 0 HG3 GLN A 39 54.866 1.519 -14.237 1.00 0.00 H new ATOM 0 HE21 GLN A 39 51.738 3.210 -14.252 1.00 0.00 H new ATOM 0 HE22 GLN A 39 51.438 3.031 -15.984 1.00 0.00 H new ATOM 585 N PRO A 40 52.756 3.087 -9.808 1.00 0.00 N ATOM 586 CA PRO A 40 51.878 3.086 -8.636 1.00 0.00 C ATOM 587 C PRO A 40 50.625 2.250 -8.857 1.00 0.00 C ATOM 588 O PRO A 40 49.916 2.419 -9.852 1.00 0.00 O ATOM 589 CB PRO A 40 51.505 4.561 -8.450 1.00 0.00 C ATOM 590 CG PRO A 40 52.572 5.316 -9.160 1.00 0.00 C ATOM 591 CD PRO A 40 52.986 4.451 -10.314 1.00 0.00 C ATOM 0 HA PRO A 40 52.370 2.650 -7.767 1.00 0.00 H new ATOM 0 HB2 PRO A 40 50.522 4.776 -8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 40 51.467 4.829 -7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.203 6.281 -9.507 1.00 0.00 H new ATOM 0 HG3 PRO A 40 53.415 5.516 -8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.392 4.656 -11.205 1.00 0.00 H new ATOM 0 HD3 PRO A 40 54.030 4.610 -10.583 1.00 0.00 H new ATOM 599 N LEU A 41 50.376 1.333 -7.937 1.00 0.00 N ATOM 600 CA LEU A 41 49.189 0.500 -7.994 1.00 0.00 C ATOM 601 C LEU A 41 47.946 1.322 -7.697 1.00 0.00 C ATOM 602 O LEU A 41 47.925 2.112 -6.750 1.00 0.00 O ATOM 603 CB LEU A 41 49.305 -0.657 -7.003 1.00 0.00 C ATOM 604 CG LEU A 41 50.339 -1.719 -7.373 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.515 -2.712 -6.240 1.00 0.00 C ATOM 606 CD2 LEU A 41 49.922 -2.439 -8.645 1.00 0.00 C ATOM 0 H LEU A 41 50.984 1.147 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 41 49.103 0.092 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 41 49.556 -0.253 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.330 -1.136 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 41 51.294 -1.224 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.255 -3.460 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 41 50.853 -2.188 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.564 -3.203 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 41 50.668 -3.193 -8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 48.957 -2.921 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 41 49.842 -1.720 -9.461 1.00 0.00 H new ATOM 618 N GLN A 42 46.923 1.137 -8.519 1.00 0.00 N ATOM 619 CA GLN A 42 45.657 1.826 -8.342 1.00 0.00 C ATOM 620 C GLN A 42 44.990 1.356 -7.058 1.00 0.00 C ATOM 621 O GLN A 42 44.547 0.210 -6.962 1.00 0.00 O ATOM 622 CB GLN A 42 44.742 1.564 -9.546 1.00 0.00 C ATOM 623 CG GLN A 42 43.365 2.212 -9.442 1.00 0.00 C ATOM 624 CD GLN A 42 43.419 3.728 -9.435 1.00 0.00 C ATOM 625 OE1 GLN A 42 42.575 4.386 -8.829 1.00 0.00 O ATOM 626 NE2 GLN A 42 44.399 4.295 -10.120 1.00 0.00 N ATOM 0 H GLN A 42 46.948 0.509 -9.322 1.00 0.00 H new ATOM 0 HA GLN A 42 45.840 2.898 -8.272 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.235 1.928 -10.448 1.00 0.00 H new ATOM 0 HB3 GLN A 42 44.616 0.488 -9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 42 42.750 1.880 -10.279 1.00 0.00 H new ATOM 0 HG3 GLN A 42 42.876 1.868 -8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 42 45.080 3.715 -10.610 1.00 0.00 H new ATOM 0 HE22 GLN A 42 44.473 5.312 -10.158 1.00 0.00 H new ATOM 635 N VAL A 43 44.957 2.231 -6.065 1.00 0.00 N ATOM 636 CA VAL A 43 44.342 1.911 -4.791 1.00 0.00 C ATOM 637 C VAL A 43 42.827 1.940 -4.920 1.00 0.00 C ATOM 638 O VAL A 43 42.213 3.009 -4.961 1.00 0.00 O ATOM 639 CB VAL A 43 44.783 2.886 -3.678 1.00 0.00 C ATOM 640 CG1 VAL A 43 44.176 2.492 -2.339 1.00 0.00 C ATOM 641 CG2 VAL A 43 46.301 2.939 -3.585 1.00 0.00 C ATOM 0 H VAL A 43 45.351 3.170 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 43 44.671 0.910 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 43 44.419 3.881 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 43 44.502 3.194 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 43 43.089 2.513 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 43 44.502 1.487 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.593 3.631 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 43 46.687 1.945 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 43 46.712 3.279 -4.536 1.00 0.00 H new ATOM 651 N LEU A 44 42.233 0.763 -5.021 1.00 0.00 N ATOM 652 CA LEU A 44 40.791 0.647 -5.115 1.00 0.00 C ATOM 653 C LEU A 44 40.169 0.829 -3.740 1.00 0.00 C ATOM 654 O LEU A 44 39.974 -0.135 -2.998 1.00 0.00 O ATOM 655 CB LEU A 44 40.392 -0.706 -5.716 1.00 0.00 C ATOM 656 CG LEU A 44 40.974 -0.997 -7.102 1.00 0.00 C ATOM 657 CD1 LEU A 44 40.544 -2.373 -7.583 1.00 0.00 C ATOM 658 CD2 LEU A 44 40.548 0.069 -8.100 1.00 0.00 C ATOM 0 H LEU A 44 42.730 -0.127 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 44 40.418 1.429 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 44 40.706 -1.496 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.305 -0.752 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 44 42.061 -0.980 -7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 44 40.967 -2.562 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.900 -3.130 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 44 39.456 -2.415 -7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.973 -0.158 -9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 44 39.461 0.086 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 44 40.905 1.043 -7.766 1.00 0.00 H new ATOM 670 N LYS A 45 39.922 2.082 -3.391 1.00 0.00 N ATOM 671 CA LYS A 45 39.317 2.433 -2.116 1.00 0.00 C ATOM 672 C LYS A 45 37.803 2.475 -2.270 1.00 0.00 C ATOM 673 O LYS A 45 37.233 3.496 -2.653 1.00 0.00 O ATOM 674 CB LYS A 45 39.858 3.789 -1.647 1.00 0.00 C ATOM 675 CG LYS A 45 39.414 4.207 -0.254 1.00 0.00 C ATOM 676 CD LYS A 45 40.001 5.561 0.121 1.00 0.00 C ATOM 677 CE LYS A 45 39.585 5.992 1.518 1.00 0.00 C ATOM 678 NZ LYS A 45 40.121 5.090 2.572 1.00 0.00 N ATOM 0 H LYS A 45 40.135 2.884 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 45 39.569 1.684 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 45 40.947 3.758 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 45 39.545 4.554 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 45 38.326 4.254 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 45 39.727 3.457 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 45 41.088 5.513 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 45 39.677 6.310 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 45 39.934 7.008 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 45 38.497 6.013 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 39.942 5.505 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 39.652 4.164 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 41.145 4.969 2.437 1.00 0.00 H new ATOM 692 N ALA A 46 37.161 1.350 -1.996 1.00 0.00 N ATOM 693 CA ALA A 46 35.731 1.210 -2.234 1.00 0.00 C ATOM 694 C ALA A 46 34.932 1.320 -0.939 1.00 0.00 C ATOM 695 O ALA A 46 33.786 0.872 -0.881 1.00 0.00 O ATOM 696 CB ALA A 46 35.452 -0.122 -2.918 1.00 0.00 C ATOM 0 H ALA A 46 37.607 0.519 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 46 35.414 2.025 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.381 -0.223 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 46 35.982 -0.160 -3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 46 35.793 -0.937 -2.280 1.00 0.00 H new ATOM 702 N CYS A 47 35.541 1.928 0.081 1.00 0.00 N ATOM 703 CA CYS A 47 34.914 2.085 1.395 1.00 0.00 C ATOM 704 C CYS A 47 34.724 0.734 2.075 1.00 0.00 C ATOM 705 O CYS A 47 33.695 0.077 1.917 1.00 0.00 O ATOM 706 CB CYS A 47 33.576 2.826 1.289 1.00 0.00 C ATOM 707 SG CYS A 47 33.728 4.551 0.779 1.00 0.00 S ATOM 0 H CYS A 47 36.479 2.324 0.020 1.00 0.00 H new ATOM 0 HA CYS A 47 35.585 2.686 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 47 32.938 2.302 0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 47 33.074 2.787 2.255 1.00 0.00 H new ATOM 0 HG CYS A 47 32.547 5.091 0.716 1.00 0.00 H new ATOM 713 N GLY A 48 35.739 0.311 2.812 1.00 0.00 N ATOM 714 CA GLY A 48 35.685 -0.973 3.479 1.00 0.00 C ATOM 715 C GLY A 48 36.502 -2.013 2.747 1.00 0.00 C ATOM 716 O GLY A 48 36.965 -2.989 3.337 1.00 0.00 O ATOM 0 H GLY A 48 36.601 0.835 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 48 36.055 -0.870 4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 48 34.649 -1.305 3.548 1.00 0.00 H new ATOM 720 N ALA A 49 36.686 -1.787 1.456 1.00 0.00 N ATOM 721 CA ALA A 49 37.471 -2.678 0.623 1.00 0.00 C ATOM 722 C ALA A 49 38.640 -1.923 0.010 1.00 0.00 C ATOM 723 O ALA A 49 38.477 -0.786 -0.443 1.00 0.00 O ATOM 724 CB ALA A 49 36.604 -3.289 -0.466 1.00 0.00 C ATOM 0 H ALA A 49 36.297 -0.985 0.960 1.00 0.00 H new ATOM 0 HA ALA A 49 37.861 -3.485 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 49 37.209 -3.955 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 49 35.792 -3.855 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 49 36.189 -2.496 -1.088 1.00 0.00 H new ATOM 730 N VAL A 50 39.813 -2.539 0.026 1.00 0.00 N ATOM 731 CA VAL A 50 41.007 -1.934 -0.551 1.00 0.00 C ATOM 732 C VAL A 50 41.781 -2.962 -1.369 1.00 0.00 C ATOM 733 O VAL A 50 42.293 -3.944 -0.829 1.00 0.00 O ATOM 734 CB VAL A 50 41.941 -1.340 0.534 1.00 0.00 C ATOM 735 CG1 VAL A 50 43.205 -0.771 -0.094 1.00 0.00 C ATOM 736 CG2 VAL A 50 41.224 -0.267 1.338 1.00 0.00 C ATOM 0 H VAL A 50 39.965 -3.461 0.434 1.00 0.00 H new ATOM 0 HA VAL A 50 40.672 -1.121 -1.195 1.00 0.00 H new ATOM 0 HB VAL A 50 42.223 -2.147 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 50 43.845 -0.360 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 50 43.738 -1.563 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 50 42.938 0.017 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 50 41.900 0.135 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 50 40.906 0.535 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 50 40.351 -0.700 1.826 1.00 0.00 H new ATOM 746 N ASP A 51 41.842 -2.744 -2.673 1.00 0.00 N ATOM 747 CA ASP A 51 42.605 -3.618 -3.557 1.00 0.00 C ATOM 748 C ASP A 51 43.655 -2.818 -4.309 1.00 0.00 C ATOM 749 O ASP A 51 43.504 -1.611 -4.500 1.00 0.00 O ATOM 750 CB ASP A 51 41.694 -4.334 -4.561 1.00 0.00 C ATOM 751 CG ASP A 51 40.767 -5.345 -3.916 1.00 0.00 C ATOM 752 OD1 ASP A 51 41.262 -6.351 -3.363 1.00 0.00 O ATOM 753 OD2 ASP A 51 39.536 -5.149 -3.969 1.00 0.00 O ATOM 0 H ASP A 51 41.373 -1.971 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 51 43.092 -4.370 -2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.098 -3.592 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.311 -4.840 -5.304 1.00 0.00 H new ATOM 758 N TYR A 52 44.718 -3.486 -4.724 1.00 0.00 N ATOM 759 CA TYR A 52 45.769 -2.843 -5.499 1.00 0.00 C ATOM 760 C TYR A 52 45.704 -3.319 -6.945 1.00 0.00 C ATOM 761 O TYR A 52 45.999 -4.476 -7.235 1.00 0.00 O ATOM 762 CB TYR A 52 47.145 -3.153 -4.902 1.00 0.00 C ATOM 763 CG TYR A 52 47.341 -2.625 -3.497 1.00 0.00 C ATOM 764 CD1 TYR A 52 46.946 -3.365 -2.391 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.927 -1.384 -3.280 1.00 0.00 C ATOM 766 CE1 TYR A 52 47.132 -2.888 -1.108 1.00 0.00 C ATOM 767 CE2 TYR A 52 48.117 -0.899 -1.999 1.00 0.00 C ATOM 768 CZ TYR A 52 47.715 -1.653 -0.917 1.00 0.00 C ATOM 769 OH TYR A 52 47.903 -1.175 0.360 1.00 0.00 O ATOM 0 H TYR A 52 44.877 -4.476 -4.537 1.00 0.00 H new ATOM 0 HA TYR A 52 45.618 -1.764 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.292 -4.233 -4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 52 47.914 -2.730 -5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 52 46.485 -4.331 -2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 52 48.239 -0.789 -4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 52 46.822 -3.479 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 52 48.578 0.066 -1.847 1.00 0.00 H new ATOM 0 HH TYR A 52 48.327 -0.292 0.320 1.00 0.00 H new ATOM 779 N PHE A 53 45.301 -2.435 -7.842 1.00 0.00 N ATOM 780 CA PHE A 53 45.096 -2.807 -9.237 1.00 0.00 C ATOM 781 C PHE A 53 46.206 -2.258 -10.134 1.00 0.00 C ATOM 782 O PHE A 53 46.582 -1.092 -10.032 1.00 0.00 O ATOM 783 CB PHE A 53 43.732 -2.302 -9.712 1.00 0.00 C ATOM 784 CG PHE A 53 43.431 -2.635 -11.143 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.173 -3.939 -11.520 1.00 0.00 C ATOM 786 CD2 PHE A 53 43.412 -1.643 -12.110 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.901 -4.253 -12.833 1.00 0.00 C ATOM 788 CE2 PHE A 53 43.141 -1.950 -13.427 1.00 0.00 C ATOM 789 CZ PHE A 53 42.884 -3.257 -13.790 1.00 0.00 C ATOM 0 H PHE A 53 45.109 -1.455 -7.632 1.00 0.00 H new ATOM 0 HA PHE A 53 45.125 -3.894 -9.306 1.00 0.00 H new ATOM 0 HB2 PHE A 53 42.955 -2.729 -9.078 1.00 0.00 H new ATOM 0 HB3 PHE A 53 43.690 -1.220 -9.583 1.00 0.00 H new ATOM 0 HD1 PHE A 53 43.185 -4.722 -10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 53 43.611 -0.619 -11.830 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.701 -5.276 -13.114 1.00 0.00 H new ATOM 0 HE2 PHE A 53 43.130 -1.169 -14.173 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.670 -3.500 -14.820 1.00 0.00 H new ATOM 799 N CYS A 54 46.727 -3.103 -11.011 1.00 0.00 N ATOM 800 CA CYS A 54 47.739 -2.681 -11.965 1.00 0.00 C ATOM 801 C CYS A 54 47.178 -2.698 -13.379 1.00 0.00 C ATOM 802 O CYS A 54 47.027 -3.765 -13.985 1.00 0.00 O ATOM 803 CB CYS A 54 48.968 -3.592 -11.887 1.00 0.00 C ATOM 804 SG CYS A 54 50.256 -3.218 -13.110 1.00 0.00 S ATOM 0 H CYS A 54 46.465 -4.086 -11.081 1.00 0.00 H new ATOM 0 HA CYS A 54 48.037 -1.663 -11.713 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.399 -3.516 -10.889 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.648 -4.626 -12.018 1.00 0.00 H new ATOM 809 N GLN A 55 46.856 -1.520 -13.902 1.00 0.00 N ATOM 810 CA GLN A 55 46.396 -1.407 -15.275 1.00 0.00 C ATOM 811 C GLN A 55 47.580 -1.572 -16.218 1.00 0.00 C ATOM 812 O GLN A 55 48.319 -0.626 -16.482 1.00 0.00 O ATOM 813 CB GLN A 55 45.688 -0.073 -15.520 1.00 0.00 C ATOM 814 CG GLN A 55 45.062 0.031 -16.903 1.00 0.00 C ATOM 815 CD GLN A 55 44.275 1.312 -17.110 1.00 0.00 C ATOM 816 OE1 GLN A 55 43.300 1.335 -17.859 1.00 0.00 O ATOM 817 NE2 GLN A 55 44.692 2.387 -16.461 1.00 0.00 N ATOM 0 H GLN A 55 46.906 -0.636 -13.396 1.00 0.00 H new ATOM 0 HA GLN A 55 45.669 -2.196 -15.466 1.00 0.00 H new ATOM 0 HB2 GLN A 55 44.912 0.062 -14.766 1.00 0.00 H new ATOM 0 HB3 GLN A 55 46.403 0.739 -15.391 1.00 0.00 H new ATOM 0 HG2 GLN A 55 45.848 -0.030 -17.656 1.00 0.00 H new ATOM 0 HG3 GLN A 55 44.402 -0.822 -17.061 1.00 0.00 H new ATOM 0 HE21 GLN A 55 45.505 2.329 -15.848 1.00 0.00 H new ATOM 0 HE22 GLN A 55 44.200 3.273 -16.574 1.00 0.00 H new ATOM 826 N HIS A 56 47.759 -2.800 -16.675 1.00 0.00 N ATOM 827 CA HIS A 56 48.879 -3.195 -17.526 1.00 0.00 C ATOM 828 C HIS A 56 48.749 -4.679 -17.850 1.00 0.00 C ATOM 829 O HIS A 56 49.735 -5.351 -18.154 1.00 0.00 O ATOM 830 CB HIS A 56 50.230 -2.947 -16.827 1.00 0.00 C ATOM 831 CG HIS A 56 50.986 -1.746 -17.327 1.00 0.00 C ATOM 832 ND1 HIS A 56 51.189 -1.486 -18.664 1.00 0.00 N ATOM 833 CD2 HIS A 56 51.600 -0.735 -16.655 1.00 0.00 C ATOM 834 CE1 HIS A 56 51.889 -0.376 -18.796 1.00 0.00 C ATOM 835 NE2 HIS A 56 52.151 0.099 -17.595 1.00 0.00 N ATOM 0 H HIS A 56 47.121 -3.567 -16.464 1.00 0.00 H new ATOM 0 HA HIS A 56 48.852 -2.596 -18.436 1.00 0.00 H new ATOM 0 HB2 HIS A 56 50.054 -2.829 -15.758 1.00 0.00 H new ATOM 0 HB3 HIS A 56 50.856 -3.831 -16.952 1.00 0.00 H new ATOM 0 HD2 HIS A 56 51.645 -0.612 -15.583 1.00 0.00 H new ATOM 0 HE1 HIS A 56 52.196 0.069 -19.731 1.00 0.00 H new ATOM 0 HE2 HIS A 56 52.678 0.949 -17.396 1.00 0.00 H new ATOM 844 N GLY A 57 47.520 -5.185 -17.773 1.00 0.00 N ATOM 845 CA GLY A 57 47.283 -6.604 -17.962 1.00 0.00 C ATOM 846 C GLY A 57 47.875 -7.435 -16.841 1.00 0.00 C ATOM 847 O GLY A 57 48.256 -8.585 -17.045 1.00 0.00 O ATOM 0 H GLY A 57 46.683 -4.634 -17.582 1.00 0.00 H new ATOM 0 HA2 GLY A 57 46.210 -6.787 -18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 57 47.713 -6.920 -18.913 1.00 0.00 H new ATOM 851 N HIS A 58 47.966 -6.848 -15.651 1.00 0.00 N ATOM 852 CA HIS A 58 48.548 -7.543 -14.505 1.00 0.00 C ATOM 853 C HIS A 58 47.483 -7.849 -13.459 1.00 0.00 C ATOM 854 O HIS A 58 47.649 -8.747 -12.634 1.00 0.00 O ATOM 855 CB HIS A 58 49.689 -6.720 -13.890 1.00 0.00 C ATOM 856 CG HIS A 58 50.835 -6.500 -14.833 1.00 0.00 C ATOM 857 ND1 HIS A 58 51.683 -5.399 -14.774 1.00 0.00 N ATOM 858 CD2 HIS A 58 51.249 -7.233 -15.894 1.00 0.00 C ATOM 859 CE1 HIS A 58 52.556 -5.482 -15.777 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.312 -6.578 -16.458 1.00 0.00 N ATOM 0 H HIS A 58 47.647 -5.899 -15.455 1.00 0.00 H new ATOM 0 HA HIS A 58 48.961 -8.488 -14.858 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.300 -5.753 -13.570 1.00 0.00 H new ATOM 0 HB3 HIS A 58 50.054 -7.228 -12.997 1.00 0.00 H new ATOM 0 HD2 HIS A 58 50.820 -8.164 -16.234 1.00 0.00 H new ATOM 0 HE1 HIS A 58 53.335 -4.766 -15.994 1.00 0.00 H new ATOM 0 HE2 HIS A 58 52.832 -6.892 -17.277 1.00 0.00 H new ATOM 868 N GLY A 59 46.387 -7.100 -13.506 1.00 0.00 N ATOM 869 CA GLY A 59 45.277 -7.346 -12.609 1.00 0.00 C ATOM 870 C GLY A 59 45.527 -6.824 -11.211 1.00 0.00 C ATOM 871 O GLY A 59 46.237 -5.831 -11.027 1.00 0.00 O ATOM 0 H GLY A 59 46.249 -6.324 -14.153 1.00 0.00 H new ATOM 0 HA2 GLY A 59 44.379 -6.877 -13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 59 45.084 -8.418 -12.563 1.00 0.00 H new ATOM 875 N LEU A 60 44.943 -7.491 -10.229 1.00 0.00 N ATOM 876 CA LEU A 60 45.097 -7.096 -8.837 1.00 0.00 C ATOM 877 C LEU A 60 46.347 -7.723 -8.231 1.00 0.00 C ATOM 878 O LEU A 60 46.568 -8.933 -8.338 1.00 0.00 O ATOM 879 CB LEU A 60 43.865 -7.494 -8.013 1.00 0.00 C ATOM 880 CG LEU A 60 42.626 -6.600 -8.178 1.00 0.00 C ATOM 881 CD1 LEU A 60 42.025 -6.734 -9.566 1.00 0.00 C ATOM 882 CD2 LEU A 60 41.590 -6.940 -7.119 1.00 0.00 C ATOM 0 H LEU A 60 44.355 -8.312 -10.370 1.00 0.00 H new ATOM 0 HA LEU A 60 45.199 -6.011 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 60 43.590 -8.515 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 60 44.145 -7.503 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 60 42.940 -5.564 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 60 41.151 -6.088 -9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 42.764 -6.441 -10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.729 -7.769 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 60 40.717 -6.300 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 60 41.293 -7.984 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 60 42.016 -6.780 -6.129 1.00 0.00 H new ATOM 894 N ILE A 61 47.155 -6.895 -7.590 1.00 0.00 N ATOM 895 CA ILE A 61 48.390 -7.344 -6.969 1.00 0.00 C ATOM 896 C ILE A 61 48.205 -7.476 -5.460 1.00 0.00 C ATOM 897 O ILE A 61 47.759 -6.539 -4.799 1.00 0.00 O ATOM 898 CB ILE A 61 49.555 -6.369 -7.260 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.748 -6.196 -8.773 1.00 0.00 C ATOM 900 CG2 ILE A 61 50.845 -6.854 -6.611 1.00 0.00 C ATOM 901 CD1 ILE A 61 50.085 -7.481 -9.502 1.00 0.00 C ATOM 0 H ILE A 61 46.974 -5.897 -7.486 1.00 0.00 H new ATOM 0 HA ILE A 61 48.638 -8.316 -7.395 1.00 0.00 H new ATOM 0 HB ILE A 61 49.301 -5.400 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 61 48.837 -5.777 -9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.544 -5.472 -8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.649 -6.151 -6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 61 50.706 -6.922 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 61 51.104 -7.836 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.206 -7.275 -10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 61 51.013 -7.892 -9.105 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.279 -8.201 -9.361 1.00 0.00 H new ATOM 913 N SER A 62 48.525 -8.650 -4.928 1.00 0.00 N ATOM 914 CA SER A 62 48.444 -8.894 -3.495 1.00 0.00 C ATOM 915 C SER A 62 49.414 -7.976 -2.750 1.00 0.00 C ATOM 916 O SER A 62 50.526 -7.729 -3.221 1.00 0.00 O ATOM 917 CB SER A 62 48.760 -10.361 -3.206 1.00 0.00 C ATOM 918 OG SER A 62 47.961 -11.218 -4.009 1.00 0.00 O ATOM 0 H SER A 62 48.845 -9.451 -5.472 1.00 0.00 H new ATOM 0 HA SER A 62 47.434 -8.678 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 62 49.815 -10.555 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 62 48.584 -10.575 -2.152 1.00 0.00 H new ATOM 0 HG SER A 62 48.181 -12.152 -3.809 1.00 0.00 H new ATOM 924 N LYS A 63 49.001 -7.496 -1.581 1.00 0.00 N ATOM 925 CA LYS A 63 49.748 -6.471 -0.858 1.00 0.00 C ATOM 926 C LYS A 63 51.135 -6.966 -0.445 1.00 0.00 C ATOM 927 O LYS A 63 52.089 -6.190 -0.391 1.00 0.00 O ATOM 928 CB LYS A 63 48.969 -6.011 0.376 1.00 0.00 C ATOM 929 CG LYS A 63 49.551 -4.763 1.021 1.00 0.00 C ATOM 930 CD LYS A 63 48.817 -4.381 2.297 1.00 0.00 C ATOM 931 CE LYS A 63 49.008 -5.424 3.385 1.00 0.00 C ATOM 932 NZ LYS A 63 48.429 -4.985 4.680 1.00 0.00 N ATOM 0 H LYS A 63 48.149 -7.802 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 63 49.881 -5.627 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 63 47.934 -5.817 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 63 48.953 -6.817 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 63 50.604 -4.930 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 63 49.503 -3.935 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 63 49.179 -3.415 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 63 47.754 -4.265 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 63 48.541 -6.360 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 63 50.072 -5.625 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 48.580 -5.724 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 48.892 -4.106 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 47.409 -4.817 4.565 1.00 0.00 H new ATOM 946 N LYS A 64 51.250 -8.258 -0.170 1.00 0.00 N ATOM 947 CA LYS A 64 52.526 -8.830 0.244 1.00 0.00 C ATOM 948 C LYS A 64 53.461 -8.982 -0.960 1.00 0.00 C ATOM 949 O LYS A 64 54.665 -9.192 -0.808 1.00 0.00 O ATOM 950 CB LYS A 64 52.301 -10.180 0.938 1.00 0.00 C ATOM 951 CG LYS A 64 53.544 -10.749 1.610 1.00 0.00 C ATOM 952 CD LYS A 64 53.212 -11.997 2.416 1.00 0.00 C ATOM 953 CE LYS A 64 54.442 -12.581 3.102 1.00 0.00 C ATOM 954 NZ LYS A 64 55.454 -13.068 2.125 1.00 0.00 N ATOM 0 H LYS A 64 50.482 -8.927 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 64 53.000 -8.154 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 64 51.517 -10.065 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 64 51.938 -10.898 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 64 54.291 -10.989 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 64 53.983 -9.996 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 64 52.460 -11.754 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 64 52.774 -12.747 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 64 54.893 -11.823 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 64 54.138 -13.404 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 56.207 -13.577 2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 54.999 -13.710 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 55.864 -12.258 1.617 1.00 0.00 H new ATOM 968 N ARG A 65 52.899 -8.845 -2.154 1.00 0.00 N ATOM 969 CA ARG A 65 53.672 -8.968 -3.383 1.00 0.00 C ATOM 970 C ARG A 65 53.973 -7.590 -3.962 1.00 0.00 C ATOM 971 O ARG A 65 54.615 -7.469 -5.006 1.00 0.00 O ATOM 972 CB ARG A 65 52.911 -9.806 -4.416 1.00 0.00 C ATOM 973 CG ARG A 65 52.555 -11.201 -3.932 1.00 0.00 C ATOM 974 CD ARG A 65 51.831 -11.990 -5.009 1.00 0.00 C ATOM 975 NE ARG A 65 51.380 -13.292 -4.524 1.00 0.00 N ATOM 976 CZ ARG A 65 50.612 -14.125 -5.225 1.00 0.00 C ATOM 977 NH1 ARG A 65 50.238 -13.814 -6.462 1.00 0.00 N ATOM 978 NH2 ARG A 65 50.229 -15.279 -4.694 1.00 0.00 N ATOM 0 H ARG A 65 51.909 -8.648 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 65 54.611 -9.468 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 65 51.995 -9.282 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 65 53.515 -9.888 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 65 53.462 -11.729 -3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 65 51.926 -11.131 -3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 65 50.973 -11.418 -5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 65 52.494 -12.131 -5.863 1.00 0.00 H new ATOM 0 HE ARG A 65 51.671 -13.582 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 65 50.539 -12.933 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 65 49.650 -14.456 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 65 50.523 -15.528 -3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 65 49.641 -15.917 -5.230 1.00 0.00 H new ATOM 992 N VAL A 66 53.501 -6.554 -3.282 1.00 0.00 N ATOM 993 CA VAL A 66 53.704 -5.187 -3.733 1.00 0.00 C ATOM 994 C VAL A 66 55.145 -4.753 -3.487 1.00 0.00 C ATOM 995 O VAL A 66 55.737 -5.082 -2.457 1.00 0.00 O ATOM 996 CB VAL A 66 52.736 -4.211 -3.024 1.00 0.00 C ATOM 997 CG1 VAL A 66 52.997 -2.774 -3.446 1.00 0.00 C ATOM 998 CG2 VAL A 66 51.291 -4.592 -3.308 1.00 0.00 C ATOM 0 H VAL A 66 52.973 -6.637 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 66 53.498 -5.159 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 66 52.913 -4.285 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 66 52.301 -2.112 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 66 54.019 -2.499 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 66 52.858 -2.680 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 66 50.624 -3.894 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 66 51.109 -4.553 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 66 51.103 -5.602 -2.945 1.00 0.00 H new ATOM 1008 N GLU A 67 55.706 -4.031 -4.443 1.00 0.00 N ATOM 1009 CA GLU A 67 57.060 -3.528 -4.321 1.00 0.00 C ATOM 1010 C GLU A 67 57.045 -2.198 -3.581 1.00 0.00 C ATOM 1011 O GLU A 67 56.635 -1.175 -4.127 1.00 0.00 O ATOM 1012 CB GLU A 67 57.693 -3.373 -5.706 1.00 0.00 C ATOM 1013 CG GLU A 67 59.131 -2.885 -5.674 1.00 0.00 C ATOM 1014 CD GLU A 67 59.799 -2.976 -7.028 1.00 0.00 C ATOM 1015 OE1 GLU A 67 60.303 -4.066 -7.366 1.00 0.00 O ATOM 1016 OE2 GLU A 67 59.822 -1.966 -7.761 1.00 0.00 O ATOM 0 H GLU A 67 55.240 -3.780 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 67 57.660 -4.238 -3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 67 57.657 -4.333 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 67 57.095 -2.674 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.154 -1.851 -5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 67 59.696 -3.475 -4.952 1.00 0.00 H new ATOM 1023 N PHE A 68 57.456 -2.230 -2.325 1.00 0.00 N ATOM 1024 CA PHE A 68 57.495 -1.035 -1.505 1.00 0.00 C ATOM 1025 C PHE A 68 58.889 -0.432 -1.521 1.00 0.00 C ATOM 1026 O PHE A 68 59.833 -1.005 -0.970 1.00 0.00 O ATOM 1027 CB PHE A 68 57.079 -1.346 -0.066 1.00 0.00 C ATOM 1028 CG PHE A 68 55.634 -1.729 0.082 1.00 0.00 C ATOM 1029 CD1 PHE A 68 54.657 -0.754 0.199 1.00 0.00 C ATOM 1030 CD2 PHE A 68 55.254 -3.061 0.118 1.00 0.00 C ATOM 1031 CE1 PHE A 68 53.327 -1.100 0.347 1.00 0.00 C ATOM 1032 CE2 PHE A 68 53.926 -3.413 0.264 1.00 0.00 C ATOM 1033 CZ PHE A 68 52.962 -2.432 0.380 1.00 0.00 C ATOM 0 H PHE A 68 57.769 -3.077 -1.850 1.00 0.00 H new ATOM 0 HA PHE A 68 56.789 -0.316 -1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 68 57.700 -2.157 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 68 57.279 -0.473 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 68 54.938 0.289 0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 68 56.004 -3.833 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 68 52.575 -0.330 0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 68 53.642 -4.455 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 68 51.924 -2.705 0.496 1.00 0.00 H new ATOM 1043 N VAL A 69 59.020 0.705 -2.173 1.00 0.00 N ATOM 1044 CA VAL A 69 60.287 1.409 -2.225 1.00 0.00 C ATOM 1045 C VAL A 69 60.291 2.557 -1.226 1.00 0.00 C ATOM 1046 O VAL A 69 59.238 3.123 -0.913 1.00 0.00 O ATOM 1047 CB VAL A 69 60.596 1.935 -3.644 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.756 0.777 -4.620 1.00 0.00 C ATOM 1049 CG2 VAL A 69 59.507 2.889 -4.116 1.00 0.00 C ATOM 0 H VAL A 69 58.261 1.164 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 69 61.070 0.698 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 69 61.536 2.486 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.973 1.167 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 69 61.576 0.137 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.833 0.197 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.746 3.247 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.550 2.368 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 69 59.445 3.736 -3.433 1.00 0.00 H new ATOM 1059 N LEU A 70 61.466 2.887 -0.716 1.00 0.00 N ATOM 1060 CA LEU A 70 61.593 3.901 0.315 1.00 0.00 C ATOM 1061 C LEU A 70 61.596 5.291 -0.311 1.00 0.00 C ATOM 1062 O LEU A 70 62.571 5.691 -0.951 1.00 0.00 O ATOM 1063 CB LEU A 70 62.879 3.673 1.116 1.00 0.00 C ATOM 1064 CG LEU A 70 62.901 4.299 2.509 1.00 0.00 C ATOM 1065 CD1 LEU A 70 61.868 3.631 3.404 1.00 0.00 C ATOM 1066 CD2 LEU A 70 64.288 4.186 3.119 1.00 0.00 C ATOM 0 H LEU A 70 62.349 2.464 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 70 60.741 3.828 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 70 63.040 2.600 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 70 63.718 4.069 0.544 1.00 0.00 H new ATOM 0 HG LEU A 70 62.650 5.356 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 70 61.895 4.087 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 70 60.875 3.759 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 70 62.093 2.568 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 70 64.287 4.637 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 70 64.566 3.135 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 70 65.007 4.705 2.486 1.00 0.00 H new ATOM 1078 N ALA A 71 60.500 6.014 -0.139 1.00 0.00 N ATOM 1079 CA ALA A 71 60.361 7.338 -0.722 1.00 0.00 C ATOM 1080 C ALA A 71 60.808 8.408 0.264 1.00 0.00 C ATOM 1081 O ALA A 71 60.012 8.777 1.149 1.00 0.00 O ATOM 1082 CB ALA A 71 58.923 7.576 -1.156 1.00 0.00 C ATOM 1083 OXT ALA A 71 61.962 8.876 0.150 1.00 0.00 O ATOM 0 H ALA A 71 59.692 5.704 0.401 1.00 0.00 H new ATOM 0 HA ALA A 71 61.002 7.397 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 71 58.834 8.572 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 71 58.638 6.830 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 71 58.264 7.498 -0.291 1.00 0.00 H new TER 1089 ALA A 71 HETATM 1090 ZN ZN A 150 63.696 7.512 12.066 1.00 0.00 ZN HETATM 1091 ZN ZN A 200 52.457 -4.215 -13.129 1.00 0.00 ZN