USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= -0.199 K(o=-0.97,f=-1.8) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.769 K(o=-0.97,f=-2.4) USER MOD Set 2.1: A 17 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Set 2.2: A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -178:sc= 1.06 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 13 GLN : amide:sc= -0.0126 K(o=-0.013,f=-2.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.568 K(o=-0.57,f=-2.6) USER MOD Single : A 16 ASN : amide:sc= -0.0855 X(o=-0.085,f=-0.34) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -157:sc= 1.19 USER MOD Single : A 26 HIS : no HE2:sc= 1.03 K(o=1,f=-4.7!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.413 (180deg=-1.34) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -120:sc= 0.783 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 23:sc= 1.39 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 71 SER OG : rot 5:sc= 0.0167 USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 0.789 (180deg=0.398) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-4.7!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.012 (180deg=-0.403) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -0.418 (180deg=-0.418) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.09 (180deg=-0.09) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.01 (180deg=-0.595) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 2.688 -7.299 -19.238 1.00 10.00 N ATOM 2 CA ALA A 3 1.355 -6.671 -19.275 1.00 10.00 C ATOM 3 C ALA A 3 1.001 -6.276 -17.847 1.00 10.00 C ATOM 4 O ALA A 3 1.863 -6.428 -16.983 1.00 10.00 O ATOM 5 CB ALA A 3 1.339 -5.456 -20.209 1.00 10.00 C ATOM 0 HA ALA A 3 0.617 -7.370 -19.669 1.00 10.00 H new ATOM 0 HB1 ALA A 3 0.342 -5.015 -20.215 1.00 10.00 H new ATOM 0 HB2 ALA A 3 2.061 -4.718 -19.858 1.00 10.00 H new ATOM 0 HB3 ALA A 3 1.603 -5.770 -21.219 1.00 10.00 H new ATOM 13 N VAL A 4 -0.218 -5.794 -17.607 1.00 10.00 N ATOM 14 CA VAL A 4 -0.745 -5.562 -16.269 1.00 10.00 C ATOM 15 C VAL A 4 -1.602 -6.777 -15.916 1.00 10.00 C ATOM 16 O VAL A 4 -2.183 -7.396 -16.807 1.00 10.00 O ATOM 17 CB VAL A 4 -1.550 -4.248 -16.249 1.00 10.00 C ATOM 18 CG1 VAL A 4 -2.216 -4.000 -14.888 1.00 10.00 C ATOM 19 CG2 VAL A 4 -0.628 -3.063 -16.566 1.00 10.00 C ATOM 0 H VAL A 4 -0.874 -5.551 -18.349 1.00 10.00 H new ATOM 0 HA VAL A 4 0.047 -5.450 -15.528 1.00 10.00 H new ATOM 0 HB VAL A 4 -2.331 -4.340 -17.004 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -2.772 -3.063 -14.920 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -2.898 -4.819 -14.662 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -1.451 -3.941 -14.114 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -1.205 -2.138 -16.550 1.00 10.00 H new ATOM 0 HG22 VAL A 4 0.165 -3.009 -15.820 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -0.188 -3.199 -17.554 1.00 10.00 H new ATOM 29 N LYS A 5 -1.662 -7.134 -14.632 1.00 10.00 N ATOM 30 CA LYS A 5 -2.494 -8.210 -14.127 1.00 10.00 C ATOM 31 C LYS A 5 -3.086 -7.735 -12.805 1.00 10.00 C ATOM 32 O LYS A 5 -2.431 -7.011 -12.059 1.00 10.00 O ATOM 33 CB LYS A 5 -1.656 -9.489 -14.000 1.00 10.00 C ATOM 34 CG LYS A 5 -2.421 -10.650 -13.349 1.00 10.00 C ATOM 35 CD LYS A 5 -1.818 -11.984 -13.813 1.00 10.00 C ATOM 36 CE LYS A 5 -2.288 -13.170 -12.960 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.606 -13.218 -11.650 1.00 10.00 N ATOM 0 H LYS A 5 -1.119 -6.669 -13.904 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.314 -8.456 -14.802 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.319 -9.795 -14.990 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.764 -9.275 -13.411 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.366 -10.572 -12.263 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.476 -10.602 -13.619 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -2.090 -12.159 -14.854 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.731 -11.921 -13.774 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.365 -13.100 -12.805 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.103 -14.099 -13.499 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.954 -14.034 -11.107 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.580 -13.311 -11.796 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.803 -12.343 -11.124 1.00 10.00 H new ATOM 51 N TYR A 6 -4.343 -8.094 -12.559 1.00 10.00 N ATOM 52 CA TYR A 6 -5.107 -7.622 -11.421 1.00 10.00 C ATOM 53 C TYR A 6 -4.997 -8.608 -10.260 1.00 10.00 C ATOM 54 O TYR A 6 -4.602 -9.757 -10.466 1.00 10.00 O ATOM 55 CB TYR A 6 -6.560 -7.412 -11.846 1.00 10.00 C ATOM 56 CG TYR A 6 -6.758 -6.484 -13.031 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.616 -6.964 -14.347 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.066 -5.129 -12.818 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.669 -6.071 -15.432 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.161 -4.247 -13.906 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.914 -4.707 -15.208 1.00 10.00 C ATOM 62 OH TYR A 6 -6.891 -3.829 -16.250 1.00 10.00 O ATOM 0 H TYR A 6 -4.864 -8.733 -13.160 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.705 -6.670 -11.075 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.995 -8.382 -12.087 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.117 -7.015 -10.997 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.466 -8.019 -14.523 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.230 -4.765 -11.814 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.521 -6.435 -16.438 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.425 -3.213 -13.740 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.082 -2.926 -15.921 1.00 10.00 H new ATOM 72 N TYR A 7 -5.352 -8.158 -9.053 1.00 10.00 N ATOM 73 CA TYR A 7 -5.376 -8.979 -7.852 1.00 10.00 C ATOM 74 C TYR A 7 -6.703 -8.761 -7.130 1.00 10.00 C ATOM 75 O TYR A 7 -7.217 -7.641 -7.084 1.00 10.00 O ATOM 76 CB TYR A 7 -4.195 -8.622 -6.944 1.00 10.00 C ATOM 77 CG TYR A 7 -2.865 -8.517 -7.663 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.121 -9.669 -7.975 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.440 -7.264 -8.138 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.962 -9.566 -8.769 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.292 -7.166 -8.934 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.562 -8.315 -9.271 1.00 10.00 C ATOM 83 OH TYR A 7 0.516 -8.225 -10.101 1.00 10.00 O ATOM 0 H TYR A 7 -5.635 -7.192 -8.886 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.284 -10.031 -8.121 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.404 -7.672 -6.452 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.113 -9.376 -6.161 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.438 -10.633 -7.606 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -3.000 -6.375 -7.888 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.380 -10.448 -8.992 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.967 -6.200 -9.290 1.00 10.00 H new ATOM 0 HH TYR A 7 0.674 -7.286 -10.331 1.00 10.00 H new ATOM 93 N THR A 8 -7.271 -9.842 -6.602 1.00 10.00 N ATOM 94 CA THR A 8 -8.491 -9.848 -5.824 1.00 10.00 C ATOM 95 C THR A 8 -8.175 -9.423 -4.389 1.00 10.00 C ATOM 96 O THR A 8 -7.078 -9.676 -3.886 1.00 10.00 O ATOM 97 CB THR A 8 -9.049 -11.278 -5.875 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.957 -12.179 -5.800 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.776 -11.510 -7.202 1.00 10.00 C ATOM 0 H THR A 8 -6.871 -10.774 -6.714 1.00 10.00 H new ATOM 0 HA THR A 8 -9.229 -9.150 -6.219 1.00 10.00 H new ATOM 0 HB THR A 8 -9.745 -11.430 -5.050 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.290 -13.100 -5.829 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.168 -12.527 -7.229 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.599 -10.801 -7.295 1.00 10.00 H new ATOM 0 HG23 THR A 8 -9.079 -11.368 -8.028 1.00 10.00 H new ATOM 107 N LEU A 9 -9.146 -8.785 -3.729 1.00 10.00 N ATOM 108 CA LEU A 9 -8.999 -8.280 -2.368 1.00 10.00 C ATOM 109 C LEU A 9 -8.439 -9.365 -1.456 1.00 10.00 C ATOM 110 O LEU A 9 -7.496 -9.119 -0.721 1.00 10.00 O ATOM 111 CB LEU A 9 -10.346 -7.740 -1.864 1.00 10.00 C ATOM 112 CG LEU A 9 -10.189 -6.518 -0.936 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.465 -5.671 -0.953 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.875 -6.926 0.508 1.00 10.00 C ATOM 0 H LEU A 9 -10.065 -8.604 -4.133 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.287 -7.455 -2.361 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -10.965 -7.465 -2.718 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.873 -8.531 -1.330 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.349 -5.936 -1.315 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.340 -4.812 -0.294 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -11.658 -5.324 -1.968 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.306 -6.273 -0.609 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.773 -6.033 1.124 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.685 -7.544 0.896 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.943 -7.492 0.532 1.00 10.00 H new ATOM 126 N GLU A 10 -8.999 -10.570 -1.552 1.00 10.00 N ATOM 127 CA GLU A 10 -8.555 -11.763 -0.829 1.00 10.00 C ATOM 128 C GLU A 10 -7.036 -11.974 -0.934 1.00 10.00 C ATOM 129 O GLU A 10 -6.312 -12.017 0.064 1.00 10.00 O ATOM 130 CB GLU A 10 -9.309 -12.979 -1.383 1.00 10.00 C ATOM 131 CG GLU A 10 -9.112 -14.247 -0.540 1.00 10.00 C ATOM 132 CD GLU A 10 -9.659 -14.104 0.874 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.880 -13.867 0.986 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.842 -14.233 1.812 1.00 10.00 O ATOM 0 H GLU A 10 -9.801 -10.750 -2.155 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.777 -11.631 0.230 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.373 -12.746 -1.435 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.975 -13.172 -2.402 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.604 -15.086 -1.032 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.049 -14.485 -0.492 1.00 10.00 H new ATOM 141 N GLU A 11 -6.549 -12.122 -2.165 1.00 10.00 N ATOM 142 CA GLU A 11 -5.133 -12.348 -2.421 1.00 10.00 C ATOM 143 C GLU A 11 -4.305 -11.203 -1.840 1.00 10.00 C ATOM 144 O GLU A 11 -3.311 -11.439 -1.155 1.00 10.00 O ATOM 145 CB GLU A 11 -4.873 -12.551 -3.924 1.00 10.00 C ATOM 146 CG GLU A 11 -4.339 -13.963 -4.211 1.00 10.00 C ATOM 147 CD GLU A 11 -5.290 -15.060 -3.739 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.460 -15.015 -4.176 1.00 10.00 O ATOM 149 OE2 GLU A 11 -4.830 -15.915 -2.944 1.00 10.00 O ATOM 0 H GLU A 11 -7.124 -12.088 -3.007 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.823 -13.266 -1.921 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.796 -12.389 -4.480 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.155 -11.810 -4.275 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.169 -14.072 -5.282 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.374 -14.089 -3.720 1.00 10.00 H new ATOM 156 N ILE A 12 -4.728 -9.961 -2.088 1.00 10.00 N ATOM 157 CA ILE A 12 -4.058 -8.800 -1.513 1.00 10.00 C ATOM 158 C ILE A 12 -4.030 -8.923 0.022 1.00 10.00 C ATOM 159 O ILE A 12 -2.985 -8.722 0.637 1.00 10.00 O ATOM 160 CB ILE A 12 -4.713 -7.498 -2.022 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.721 -7.435 -3.565 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.979 -6.256 -1.495 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.698 -6.383 -4.090 1.00 10.00 C ATOM 0 H ILE A 12 -5.528 -9.738 -2.681 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.019 -8.761 -1.840 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.737 -7.505 -1.649 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.717 -7.208 -3.924 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.990 -8.412 -3.966 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.467 -5.357 -1.873 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.006 -6.253 -0.405 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.943 -6.275 -1.832 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.671 -6.373 -5.180 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.707 -6.623 -3.754 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.414 -5.401 -3.711 1.00 10.00 H new ATOM 175 N GLN A 13 -5.150 -9.322 0.630 1.00 10.00 N ATOM 176 CA GLN A 13 -5.305 -9.529 2.062 1.00 10.00 C ATOM 177 C GLN A 13 -4.196 -10.432 2.585 1.00 10.00 C ATOM 178 O GLN A 13 -3.508 -10.063 3.530 1.00 10.00 O ATOM 179 CB GLN A 13 -6.708 -10.071 2.402 1.00 10.00 C ATOM 180 CG GLN A 13 -7.559 -9.082 3.208 1.00 10.00 C ATOM 181 CD GLN A 13 -7.141 -8.992 4.674 1.00 10.00 C ATOM 182 OE1 GLN A 13 -5.988 -9.211 5.025 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.084 -8.678 5.558 1.00 10.00 N ATOM 0 H GLN A 13 -6.006 -9.516 0.111 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.215 -8.567 2.566 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.229 -10.319 1.477 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.605 -10.997 2.968 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.486 -8.094 2.754 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.605 -9.382 3.152 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.038 -8.499 5.244 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -7.853 -8.616 6.550 1.00 10.00 H new ATOM 192 N LYS A 14 -3.968 -11.588 1.956 1.00 10.00 N ATOM 193 CA LYS A 14 -2.899 -12.489 2.380 1.00 10.00 C ATOM 194 C LYS A 14 -1.552 -11.765 2.510 1.00 10.00 C ATOM 195 O LYS A 14 -0.765 -12.047 3.414 1.00 10.00 O ATOM 196 CB LYS A 14 -2.765 -13.672 1.419 1.00 10.00 C ATOM 197 CG LYS A 14 -4.077 -14.437 1.221 1.00 10.00 C ATOM 198 CD LYS A 14 -3.753 -15.884 0.836 1.00 10.00 C ATOM 199 CE LYS A 14 -5.016 -16.602 0.349 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.742 -18.009 0.002 1.00 10.00 N ATOM 0 H LYS A 14 -4.507 -11.919 1.156 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.175 -12.862 3.366 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.413 -13.310 0.453 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.006 -14.356 1.798 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.669 -14.414 2.136 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.675 -13.964 0.442 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -2.994 -15.898 0.053 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.335 -16.411 1.694 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.781 -16.560 1.125 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.417 -16.083 -0.522 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.619 -18.463 -0.323 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.030 -18.048 -0.755 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -4.383 -18.510 0.840 1.00 10.00 H new ATOM 214 N HIS A 15 -1.296 -10.798 1.630 1.00 10.00 N ATOM 215 CA HIS A 15 -0.097 -9.980 1.666 1.00 10.00 C ATOM 216 C HIS A 15 -0.329 -8.825 2.650 1.00 10.00 C ATOM 217 O HIS A 15 -0.358 -7.655 2.270 1.00 10.00 O ATOM 218 CB HIS A 15 0.271 -9.520 0.248 1.00 10.00 C ATOM 219 CG HIS A 15 0.823 -10.604 -0.650 1.00 10.00 C ATOM 220 ND1 HIS A 15 2.040 -10.578 -1.297 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.168 -11.733 -1.068 1.00 10.00 C ATOM 222 CE1 HIS A 15 2.115 -11.669 -2.075 1.00 10.00 C ATOM 223 NE2 HIS A 15 1.009 -12.420 -1.954 1.00 10.00 N ATOM 0 H HIS A 15 -1.927 -10.562 0.864 1.00 10.00 H new ATOM 0 HA HIS A 15 0.761 -10.549 2.024 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.616 -9.096 -0.222 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.007 -8.719 0.321 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.823 -12.040 -0.767 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.953 -11.910 -2.713 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.819 -13.310 -2.414 1.00 10.00 H new ATOM 231 N ASN A 16 -0.439 -9.171 3.938 1.00 10.00 N ATOM 232 CA ASN A 16 -0.539 -8.230 5.053 1.00 10.00 C ATOM 233 C ASN A 16 0.665 -8.398 5.977 1.00 10.00 C ATOM 234 O ASN A 16 0.524 -8.672 7.164 1.00 10.00 O ATOM 235 CB ASN A 16 -1.883 -8.334 5.801 1.00 10.00 C ATOM 236 CG ASN A 16 -2.080 -9.654 6.546 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.116 -9.695 7.774 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.224 -10.743 5.801 1.00 10.00 N ATOM 0 H ASN A 16 -0.461 -10.145 4.239 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.521 -7.218 4.649 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.955 -7.512 6.514 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.696 -8.208 5.086 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.370 -11.649 6.246 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.189 -10.673 4.784 1.00 10.00 H new ATOM 245 N ASN A 17 1.864 -8.229 5.415 1.00 10.00 N ATOM 246 CA ASN A 17 3.171 -8.299 6.077 1.00 10.00 C ATOM 247 C ASN A 17 3.717 -9.721 6.042 1.00 10.00 C ATOM 248 O ASN A 17 4.883 -9.929 5.726 1.00 10.00 O ATOM 249 CB ASN A 17 3.150 -7.757 7.511 1.00 10.00 C ATOM 250 CG ASN A 17 4.555 -7.488 8.039 1.00 10.00 C ATOM 251 OD1 ASN A 17 5.270 -6.643 7.513 1.00 10.00 O ATOM 252 ND2 ASN A 17 4.956 -8.171 9.108 1.00 10.00 N ATOM 0 H ASN A 17 1.955 -8.026 4.420 1.00 10.00 H new ATOM 0 HA ASN A 17 3.839 -7.648 5.513 1.00 10.00 H new ATOM 0 HB2 ASN A 17 2.568 -6.836 7.542 1.00 10.00 H new ATOM 0 HB3 ASN A 17 2.649 -8.473 8.162 1.00 10.00 H new ATOM 0 HD21 ASN A 17 5.878 -7.996 9.508 1.00 10.00 H new ATOM 0 HD22 ASN A 17 4.342 -8.869 9.527 1.00 10.00 H new ATOM 259 N SER A 18 2.857 -10.698 6.339 1.00 10.00 N ATOM 260 CA SER A 18 3.159 -12.121 6.371 1.00 10.00 C ATOM 261 C SER A 18 3.937 -12.633 5.151 1.00 10.00 C ATOM 262 O SER A 18 4.678 -13.604 5.276 1.00 10.00 O ATOM 263 CB SER A 18 1.831 -12.867 6.523 1.00 10.00 C ATOM 264 OG SER A 18 1.041 -12.180 7.479 1.00 10.00 O ATOM 0 H SER A 18 1.884 -10.503 6.575 1.00 10.00 H new ATOM 0 HA SER A 18 3.826 -12.305 7.213 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.311 -12.916 5.566 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.007 -13.894 6.843 1.00 10.00 H new ATOM 0 HG SER A 18 0.184 -12.643 7.589 1.00 10.00 H new ATOM 270 N LYS A 19 3.748 -12.011 3.980 1.00 10.00 N ATOM 271 CA LYS A 19 4.523 -12.302 2.780 1.00 10.00 C ATOM 272 C LYS A 19 5.111 -11.003 2.224 1.00 10.00 C ATOM 273 O LYS A 19 6.328 -10.843 2.199 1.00 10.00 O ATOM 274 CB LYS A 19 3.644 -13.057 1.774 1.00 10.00 C ATOM 275 CG LYS A 19 4.493 -13.624 0.630 1.00 10.00 C ATOM 276 CD LYS A 19 3.634 -14.540 -0.248 1.00 10.00 C ATOM 277 CE LYS A 19 4.479 -15.138 -1.380 1.00 10.00 C ATOM 278 NZ LYS A 19 3.663 -15.959 -2.298 1.00 10.00 N ATOM 0 H LYS A 19 3.044 -11.285 3.844 1.00 10.00 H new ATOM 0 HA LYS A 19 5.366 -12.953 3.009 1.00 10.00 H new ATOM 0 HB2 LYS A 19 3.118 -13.867 2.279 1.00 10.00 H new ATOM 0 HB3 LYS A 19 2.885 -12.386 1.372 1.00 10.00 H new ATOM 0 HG2 LYS A 19 4.903 -12.811 0.031 1.00 10.00 H new ATOM 0 HG3 LYS A 19 5.339 -14.180 1.034 1.00 10.00 H new ATOM 0 HD2 LYS A 19 3.207 -15.339 0.357 1.00 10.00 H new ATOM 0 HD3 LYS A 19 2.800 -13.977 -0.666 1.00 10.00 H new ATOM 0 HE2 LYS A 19 4.958 -14.335 -1.939 1.00 10.00 H new ATOM 0 HE3 LYS A 19 5.275 -15.750 -0.955 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 4.269 -16.346 -3.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 3.226 -16.740 -1.769 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 2.919 -15.369 -2.723 1.00 10.00 H new ATOM 292 N SER A 20 4.243 -10.073 1.817 1.00 10.00 N ATOM 293 CA SER A 20 4.582 -8.671 1.645 1.00 10.00 C ATOM 294 C SER A 20 3.517 -7.868 2.385 1.00 10.00 C ATOM 295 O SER A 20 2.466 -8.417 2.710 1.00 10.00 O ATOM 296 CB SER A 20 4.498 -8.241 0.178 1.00 10.00 C ATOM 297 OG SER A 20 5.421 -8.853 -0.693 1.00 10.00 O ATOM 0 H SER A 20 3.270 -10.284 1.596 1.00 10.00 H new ATOM 0 HA SER A 20 5.596 -8.509 2.010 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.491 -8.449 -0.185 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.639 -7.161 0.127 1.00 10.00 H new ATOM 0 HG SER A 20 5.552 -8.286 -1.482 1.00 10.00 H new ATOM 303 N THR A 21 3.741 -6.569 2.562 1.00 10.00 N ATOM 304 CA THR A 21 2.704 -5.566 2.741 1.00 10.00 C ATOM 305 C THR A 21 2.227 -5.111 1.358 1.00 10.00 C ATOM 306 O THR A 21 2.902 -4.307 0.709 1.00 10.00 O ATOM 307 CB THR A 21 3.272 -4.407 3.579 1.00 10.00 C ATOM 308 OG1 THR A 21 3.435 -4.850 4.911 1.00 10.00 O ATOM 309 CG2 THR A 21 2.400 -3.145 3.556 1.00 10.00 C ATOM 0 H THR A 21 4.682 -6.176 2.585 1.00 10.00 H new ATOM 0 HA THR A 21 1.844 -5.968 3.278 1.00 10.00 H new ATOM 0 HB THR A 21 4.226 -4.124 3.135 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.485 -4.076 5.509 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.863 -2.371 4.168 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.304 -2.788 2.531 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.412 -3.378 3.953 1.00 10.00 H new ATOM 317 N TRP A 22 1.078 -5.636 0.914 1.00 10.00 N ATOM 318 CA TRP A 22 0.296 -5.094 -0.188 1.00 10.00 C ATOM 319 C TRP A 22 -0.871 -4.303 0.395 1.00 10.00 C ATOM 320 O TRP A 22 -1.147 -4.405 1.588 1.00 10.00 O ATOM 321 CB TRP A 22 -0.248 -6.213 -1.080 1.00 10.00 C ATOM 322 CG TRP A 22 0.736 -6.994 -1.892 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.075 -6.921 -1.778 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.488 -7.923 -2.992 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.667 -7.759 -2.688 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.742 -8.397 -3.480 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.666 -8.386 -3.656 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.847 -9.293 -4.553 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.578 -9.295 -4.725 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.674 -9.750 -5.175 1.00 10.00 C ATOM 0 H TRP A 22 0.662 -6.471 1.326 1.00 10.00 H new ATOM 0 HA TRP A 22 0.934 -4.454 -0.797 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.791 -6.914 -0.446 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.974 -5.774 -1.764 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.605 -6.296 -1.075 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.675 -7.893 -2.768 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.637 -8.036 -3.337 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.815 -9.627 -4.896 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.480 -9.647 -5.204 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.733 -10.449 -5.996 1.00 10.00 H new ATOM 341 N LEU A 23 -1.559 -3.518 -0.437 1.00 10.00 N ATOM 342 CA LEU A 23 -2.695 -2.694 -0.053 1.00 10.00 C ATOM 343 C LEU A 23 -3.245 -2.011 -1.306 1.00 10.00 C ATOM 344 O LEU A 23 -2.595 -2.065 -2.351 1.00 10.00 O ATOM 345 CB LEU A 23 -2.335 -1.705 1.070 1.00 10.00 C ATOM 346 CG LEU A 23 -0.958 -1.041 0.905 1.00 10.00 C ATOM 347 CD1 LEU A 23 -0.999 0.106 -0.096 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.504 -0.467 2.241 1.00 10.00 C ATOM 0 H LEU A 23 -1.329 -3.440 -1.428 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.480 -3.320 0.371 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.098 -0.928 1.113 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.361 -2.231 2.024 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.272 -1.808 0.546 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.007 0.548 -0.184 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.315 -0.271 -1.069 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.704 0.863 0.247 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.472 0.003 2.122 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.225 0.276 2.582 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.433 -1.269 2.976 1.00 10.00 H new ATOM 360 N ILE A 24 -4.435 -1.403 -1.199 1.00 10.00 N ATOM 361 CA ILE A 24 -5.192 -0.836 -2.316 1.00 10.00 C ATOM 362 C ILE A 24 -5.358 0.668 -2.101 1.00 10.00 C ATOM 363 O ILE A 24 -6.085 1.080 -1.190 1.00 10.00 O ATOM 364 CB ILE A 24 -6.570 -1.516 -2.433 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.419 -2.999 -2.803 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.435 -0.833 -3.506 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.633 -3.799 -2.316 1.00 10.00 C ATOM 0 H ILE A 24 -4.909 -1.291 -0.303 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.648 -1.010 -3.244 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.055 -1.426 -1.461 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.317 -3.102 -3.883 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.509 -3.400 -2.358 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.401 -1.333 -3.567 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.584 0.214 -3.241 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.933 -0.895 -4.472 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.510 -4.848 -2.586 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.716 -3.711 -1.233 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.537 -3.408 -2.782 1.00 10.00 H new ATOM 379 N LEU A 25 -4.712 1.478 -2.948 1.00 10.00 N ATOM 380 CA LEU A 25 -4.853 2.925 -2.968 1.00 10.00 C ATOM 381 C LEU A 25 -5.446 3.308 -4.327 1.00 10.00 C ATOM 382 O LEU A 25 -4.768 3.229 -5.350 1.00 10.00 O ATOM 383 CB LEU A 25 -3.499 3.614 -2.751 1.00 10.00 C ATOM 384 CG LEU A 25 -2.892 3.707 -1.343 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.523 2.763 -0.338 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.368 3.533 -1.391 1.00 10.00 C ATOM 0 H LEU A 25 -4.062 1.129 -3.653 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.507 3.252 -2.159 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.772 3.103 -3.382 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.591 4.632 -3.130 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.121 4.710 -0.984 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.041 2.888 0.631 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.586 2.987 -0.246 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.397 1.734 -0.676 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.962 3.603 -0.382 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.126 2.557 -1.813 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.932 4.315 -2.013 1.00 10.00 H new ATOM 398 N HIS A 26 -6.719 3.705 -4.342 1.00 10.00 N ATOM 399 CA HIS A 26 -7.459 4.106 -5.532 1.00 10.00 C ATOM 400 C HIS A 26 -7.540 2.950 -6.537 1.00 10.00 C ATOM 401 O HIS A 26 -7.098 3.075 -7.680 1.00 10.00 O ATOM 402 CB HIS A 26 -6.905 5.393 -6.155 1.00 10.00 C ATOM 403 CG HIS A 26 -6.724 6.524 -5.177 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.693 7.370 -4.683 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.524 6.935 -4.678 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.073 8.280 -3.908 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.739 8.084 -3.909 1.00 10.00 N ATOM 0 H HIS A 26 -7.281 3.757 -3.492 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.478 4.343 -5.226 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.945 5.173 -6.621 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.578 5.718 -6.949 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -8.694 7.317 -4.870 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.571 6.456 -4.847 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.577 9.062 -3.359 1.00 10.00 H new ATOM 415 N TYR A 27 -8.089 1.818 -6.077 1.00 10.00 N ATOM 416 CA TYR A 27 -8.294 0.591 -6.846 1.00 10.00 C ATOM 417 C TYR A 27 -7.000 0.050 -7.468 1.00 10.00 C ATOM 418 O TYR A 27 -7.054 -0.676 -8.461 1.00 10.00 O ATOM 419 CB TYR A 27 -9.376 0.789 -7.923 1.00 10.00 C ATOM 420 CG TYR A 27 -10.753 1.251 -7.477 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.323 0.778 -6.278 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.562 1.945 -8.398 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.685 0.996 -6.006 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.925 2.156 -8.128 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.485 1.689 -6.929 1.00 10.00 C ATOM 426 OH TYR A 27 -14.815 1.868 -6.696 1.00 10.00 O ATOM 0 H TYR A 27 -8.416 1.732 -5.115 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.638 -0.162 -6.137 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.999 1.513 -8.645 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.497 -0.156 -8.452 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.711 0.246 -5.565 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.133 2.317 -9.317 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.117 0.630 -5.086 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.542 2.678 -8.844 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.212 2.370 -7.438 1.00 10.00 H new ATOM 436 N LYS A 28 -5.840 0.384 -6.894 1.00 10.00 N ATOM 437 CA LYS A 28 -4.546 0.085 -7.470 1.00 10.00 C ATOM 438 C LYS A 28 -3.645 -0.506 -6.383 1.00 10.00 C ATOM 439 O LYS A 28 -3.663 0.001 -5.259 1.00 10.00 O ATOM 440 CB LYS A 28 -4.044 1.385 -8.109 1.00 10.00 C ATOM 441 CG LYS A 28 -2.992 1.160 -9.193 1.00 10.00 C ATOM 442 CD LYS A 28 -3.336 1.860 -10.513 1.00 10.00 C ATOM 443 CE LYS A 28 -3.232 3.388 -10.491 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.406 4.015 -9.848 1.00 10.00 N ATOM 0 H LYS A 28 -5.784 0.877 -6.003 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.571 -0.672 -8.253 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.890 1.920 -8.540 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.624 2.025 -7.333 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.027 1.521 -8.837 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.885 0.090 -9.372 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.674 1.479 -11.291 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.352 1.586 -10.796 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -2.327 3.682 -9.959 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.136 3.759 -11.511 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.482 5.006 -10.155 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.267 3.500 -10.121 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.295 3.981 -8.814 1.00 10.00 H new ATOM 458 N VAL A 29 -2.943 -1.610 -6.685 1.00 10.00 N ATOM 459 CA VAL A 29 -2.213 -2.402 -5.702 1.00 10.00 C ATOM 460 C VAL A 29 -0.716 -2.079 -5.701 1.00 10.00 C ATOM 461 O VAL A 29 -0.072 -2.040 -6.755 1.00 10.00 O ATOM 462 CB VAL A 29 -2.434 -3.903 -5.937 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.004 -4.702 -4.700 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.903 -4.219 -6.214 1.00 10.00 C ATOM 0 H VAL A 29 -2.870 -1.976 -7.634 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.608 -2.137 -4.721 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.835 -4.182 -6.804 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.166 -5.765 -4.879 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.947 -4.524 -4.501 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.593 -4.385 -3.839 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.021 -5.291 -6.375 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.508 -3.912 -5.361 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.230 -3.680 -7.103 1.00 10.00 H new ATOM 474 N TYR A 30 -0.167 -1.886 -4.497 1.00 10.00 N ATOM 475 CA TYR A 30 1.213 -1.483 -4.262 1.00 10.00 C ATOM 476 C TYR A 30 1.929 -2.532 -3.407 1.00 10.00 C ATOM 477 O TYR A 30 1.543 -2.709 -2.255 1.00 10.00 O ATOM 478 CB TYR A 30 1.188 -0.122 -3.555 1.00 10.00 C ATOM 479 CG TYR A 30 0.571 0.970 -4.405 1.00 10.00 C ATOM 480 CD1 TYR A 30 -0.817 1.187 -4.378 1.00 10.00 C ATOM 481 CD2 TYR A 30 1.358 1.638 -5.358 1.00 10.00 C ATOM 482 CE1 TYR A 30 -1.405 2.069 -5.297 1.00 10.00 C ATOM 483 CE2 TYR A 30 0.772 2.571 -6.235 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.613 2.787 -6.201 1.00 10.00 C ATOM 485 OH TYR A 30 -1.203 3.668 -7.058 1.00 10.00 O ATOM 0 H TYR A 30 -0.694 -2.012 -3.633 1.00 10.00 H new ATOM 0 HA TYR A 30 1.757 -1.401 -5.203 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.628 -0.212 -2.624 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.206 0.163 -3.289 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.430 0.676 -3.651 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.417 1.435 -5.418 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.478 2.195 -5.307 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.388 3.119 -6.932 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.518 4.087 -7.620 1.00 10.00 H new ATOM 495 N ASP A 31 2.959 -3.202 -3.942 1.00 10.00 N ATOM 496 CA ASP A 31 3.827 -4.102 -3.177 1.00 10.00 C ATOM 497 C ASP A 31 4.987 -3.276 -2.648 1.00 10.00 C ATOM 498 O ASP A 31 5.868 -2.900 -3.417 1.00 10.00 O ATOM 499 CB ASP A 31 4.351 -5.248 -4.058 1.00 10.00 C ATOM 500 CG ASP A 31 5.424 -6.111 -3.383 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.087 -6.827 -2.409 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.564 -6.101 -3.886 1.00 10.00 O ATOM 0 H ASP A 31 3.214 -3.132 -4.927 1.00 10.00 H new ATOM 0 HA ASP A 31 3.266 -4.554 -2.359 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.514 -5.885 -4.344 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.761 -4.828 -4.977 1.00 10.00 H new ATOM 507 N LEU A 32 4.960 -2.937 -1.356 1.00 10.00 N ATOM 508 CA LEU A 32 6.018 -2.159 -0.746 1.00 10.00 C ATOM 509 C LEU A 32 6.940 -3.099 0.032 1.00 10.00 C ATOM 510 O LEU A 32 7.899 -3.616 -0.531 1.00 10.00 O ATOM 511 CB LEU A 32 5.431 -0.996 0.063 1.00 10.00 C ATOM 512 CG LEU A 32 4.557 -0.071 -0.811 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.110 -0.077 -0.308 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.139 1.344 -0.817 1.00 10.00 C ATOM 0 H LEU A 32 4.208 -3.196 -0.717 1.00 10.00 H new ATOM 0 HA LEU A 32 6.643 -1.678 -1.498 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.833 -1.390 0.885 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.241 -0.417 0.507 1.00 10.00 H new ATOM 0 HG LEU A 32 4.555 -0.441 -1.836 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.505 0.579 -0.933 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.713 -1.091 -0.355 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.082 0.276 0.723 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.517 1.991 -1.436 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.164 1.731 0.202 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.151 1.319 -1.221 1.00 10.00 H new ATOM 526 N THR A 33 6.656 -3.337 1.317 1.00 10.00 N ATOM 527 CA THR A 33 7.331 -4.275 2.210 1.00 10.00 C ATOM 528 C THR A 33 8.782 -3.893 2.524 1.00 10.00 C ATOM 529 O THR A 33 9.123 -3.592 3.664 1.00 10.00 O ATOM 530 CB THR A 33 7.097 -5.735 1.775 1.00 10.00 C ATOM 531 OG1 THR A 33 6.460 -6.399 2.845 1.00 10.00 O ATOM 532 CG2 THR A 33 8.331 -6.544 1.372 1.00 10.00 C ATOM 0 H THR A 33 5.897 -2.845 1.789 1.00 10.00 H new ATOM 0 HA THR A 33 6.858 -4.196 3.189 1.00 10.00 H new ATOM 0 HB THR A 33 6.502 -5.674 0.864 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.017 -7.148 3.144 1.00 10.00 H new ATOM 0 HG21 THR A 33 8.029 -7.552 1.088 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.822 -6.061 0.527 1.00 10.00 H new ATOM 0 HG23 THR A 33 9.023 -6.596 2.213 1.00 10.00 H new ATOM 540 N LYS A 34 9.638 -3.824 1.510 1.00 10.00 N ATOM 541 CA LYS A 34 10.992 -3.327 1.654 1.00 10.00 C ATOM 542 C LYS A 34 10.939 -1.881 2.151 1.00 10.00 C ATOM 543 O LYS A 34 11.814 -1.438 2.887 1.00 10.00 O ATOM 544 CB LYS A 34 11.690 -3.449 0.295 1.00 10.00 C ATOM 545 CG LYS A 34 13.158 -3.021 0.368 1.00 10.00 C ATOM 546 CD LYS A 34 13.834 -3.259 -0.987 1.00 10.00 C ATOM 547 CE LYS A 34 15.289 -2.778 -0.931 1.00 10.00 C ATOM 548 NZ LYS A 34 15.966 -2.922 -2.235 1.00 10.00 N ATOM 0 H LYS A 34 9.405 -4.115 0.560 1.00 10.00 H new ATOM 0 HA LYS A 34 11.559 -3.904 2.384 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.629 -4.480 -0.053 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.168 -2.834 -0.438 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.227 -1.968 0.639 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.673 -3.585 1.146 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.801 -4.319 -1.240 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.295 -2.727 -1.771 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.314 -1.733 -0.622 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.831 -3.347 -0.176 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.947 -2.586 -2.156 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.964 -3.923 -2.518 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.464 -2.359 -2.951 1.00 10.00 H new ATOM 562 N PHE A 35 9.871 -1.168 1.776 1.00 10.00 N ATOM 563 CA PHE A 35 9.750 0.258 1.991 1.00 10.00 C ATOM 564 C PHE A 35 9.194 0.548 3.384 1.00 10.00 C ATOM 565 O PHE A 35 8.982 1.705 3.714 1.00 10.00 O ATOM 566 CB PHE A 35 8.828 0.848 0.916 1.00 10.00 C ATOM 567 CG PHE A 35 8.998 2.335 0.648 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.243 2.840 0.227 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.911 3.218 0.805 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.415 4.217 0.011 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.078 4.594 0.570 1.00 10.00 C ATOM 572 CZ PHE A 35 9.332 5.096 0.182 1.00 10.00 C ATOM 0 H PHE A 35 9.063 -1.580 1.310 1.00 10.00 H new ATOM 0 HA PHE A 35 10.736 0.718 1.921 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.994 0.308 -0.016 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.794 0.666 1.210 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.071 2.164 0.069 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.947 2.837 1.107 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.380 4.600 -0.287 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.241 5.266 0.688 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.463 6.155 0.016 1.00 10.00 H new ATOM 582 N LEU A 36 8.897 -0.470 4.197 1.00 10.00 N ATOM 583 CA LEU A 36 8.310 -0.254 5.512 1.00 10.00 C ATOM 584 C LEU A 36 9.226 0.612 6.371 1.00 10.00 C ATOM 585 O LEU A 36 8.812 1.652 6.872 1.00 10.00 O ATOM 586 CB LEU A 36 8.055 -1.612 6.171 1.00 10.00 C ATOM 587 CG LEU A 36 6.959 -2.400 5.445 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.966 -3.841 5.971 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.578 -1.794 5.699 1.00 10.00 C ATOM 0 H LEU A 36 9.055 -1.450 3.963 1.00 10.00 H new ATOM 0 HA LEU A 36 7.363 0.275 5.410 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.977 -2.193 6.176 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.767 -1.463 7.212 1.00 10.00 H new ATOM 0 HG LEU A 36 7.159 -2.368 4.374 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.191 -4.417 5.465 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.939 -4.294 5.779 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.773 -3.838 7.044 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.823 -2.376 5.170 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.365 -1.809 6.768 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.561 -0.765 5.340 1.00 10.00 H new ATOM 601 N GLU A 37 10.477 0.174 6.520 1.00 10.00 N ATOM 602 CA GLU A 37 11.481 0.895 7.288 1.00 10.00 C ATOM 603 C GLU A 37 11.800 2.241 6.617 1.00 10.00 C ATOM 604 O GLU A 37 12.025 3.246 7.287 1.00 10.00 O ATOM 605 CB GLU A 37 12.720 0.000 7.441 1.00 10.00 C ATOM 606 CG GLU A 37 13.508 0.310 8.721 1.00 10.00 C ATOM 607 CD GLU A 37 14.734 -0.587 8.870 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.642 -1.757 8.438 1.00 10.00 O ATOM 609 OE2 GLU A 37 15.739 -0.088 9.418 1.00 10.00 O ATOM 0 H GLU A 37 10.819 -0.694 6.108 1.00 10.00 H new ATOM 0 HA GLU A 37 11.107 1.129 8.285 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.411 -1.045 7.451 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.370 0.132 6.576 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.822 1.354 8.709 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.858 0.182 9.587 1.00 10.00 H new ATOM 616 N GLU A 38 11.814 2.254 5.280 1.00 10.00 N ATOM 617 CA GLU A 38 12.140 3.423 4.479 1.00 10.00 C ATOM 618 C GLU A 38 11.094 4.529 4.655 1.00 10.00 C ATOM 619 O GLU A 38 11.438 5.700 4.789 1.00 10.00 O ATOM 620 CB GLU A 38 12.228 3.007 3.006 1.00 10.00 C ATOM 621 CG GLU A 38 13.252 1.889 2.751 1.00 10.00 C ATOM 622 CD GLU A 38 13.503 1.686 1.258 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.026 2.636 0.639 1.00 10.00 O ATOM 624 OE2 GLU A 38 13.143 0.603 0.745 1.00 10.00 O ATOM 0 H GLU A 38 11.593 1.431 4.719 1.00 10.00 H new ATOM 0 HA GLU A 38 13.098 3.822 4.812 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.246 2.674 2.670 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.493 3.877 2.405 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.190 2.134 3.248 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.892 0.958 3.190 1.00 10.00 H new ATOM 631 N HIS A 39 9.815 4.152 4.594 1.00 10.00 N ATOM 632 CA HIS A 39 8.667 5.048 4.585 1.00 10.00 C ATOM 633 C HIS A 39 8.663 5.909 5.855 1.00 10.00 C ATOM 634 O HIS A 39 8.309 5.413 6.926 1.00 10.00 O ATOM 635 CB HIS A 39 7.373 4.228 4.461 1.00 10.00 C ATOM 636 CG HIS A 39 6.087 5.011 4.600 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.206 4.884 5.646 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.491 5.811 3.659 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.107 5.589 5.341 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.227 6.185 4.140 1.00 10.00 N ATOM 0 H HIS A 39 9.544 3.170 4.548 1.00 10.00 H new ATOM 0 HA HIS A 39 8.731 5.717 3.727 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.371 3.730 3.491 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.385 3.446 5.221 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.360 4.350 6.501 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.920 6.103 2.712 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.238 5.668 5.977 1.00 10.00 H new ATOM 648 N PRO A 40 8.995 7.207 5.762 1.00 10.00 N ATOM 649 CA PRO A 40 9.128 8.065 6.931 1.00 10.00 C ATOM 650 C PRO A 40 7.789 8.243 7.654 1.00 10.00 C ATOM 651 O PRO A 40 7.764 8.544 8.843 1.00 10.00 O ATOM 652 CB PRO A 40 9.688 9.388 6.405 1.00 10.00 C ATOM 653 CG PRO A 40 9.169 9.429 4.970 1.00 10.00 C ATOM 654 CD PRO A 40 9.208 7.968 4.539 1.00 10.00 C ATOM 0 HA PRO A 40 9.792 7.631 7.679 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.333 10.238 6.988 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.777 9.409 6.442 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.159 9.836 4.919 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.796 10.053 4.333 1.00 10.00 H new ATOM 0 HD2 PRO A 40 8.435 7.754 3.801 1.00 10.00 H new ATOM 0 HD3 PRO A 40 10.164 7.718 4.080 1.00 10.00 H new ATOM 662 N GLY A 41 6.672 8.013 6.955 1.00 10.00 N ATOM 663 CA GLY A 41 5.352 7.992 7.557 1.00 10.00 C ATOM 664 C GLY A 41 5.150 6.865 8.573 1.00 10.00 C ATOM 665 O GLY A 41 4.133 6.855 9.264 1.00 10.00 O ATOM 0 H GLY A 41 6.668 7.836 5.950 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.173 8.948 8.049 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.606 7.895 6.769 1.00 10.00 H new ATOM 669 N GLY A 42 6.084 5.911 8.658 1.00 10.00 N ATOM 670 CA GLY A 42 6.075 4.856 9.656 1.00 10.00 C ATOM 671 C GLY A 42 5.789 3.504 9.014 1.00 10.00 C ATOM 672 O GLY A 42 5.071 3.414 8.015 1.00 10.00 O ATOM 0 H GLY A 42 6.878 5.857 8.020 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.037 4.824 10.167 1.00 10.00 H new ATOM 0 HA3 GLY A 42 5.320 5.071 10.412 1.00 10.00 H new ATOM 676 N GLU A 43 6.343 2.452 9.608 1.00 10.00 N ATOM 677 CA GLU A 43 6.134 1.074 9.219 1.00 10.00 C ATOM 678 C GLU A 43 4.792 0.605 9.773 1.00 10.00 C ATOM 679 O GLU A 43 3.983 0.032 9.049 1.00 10.00 O ATOM 680 CB GLU A 43 7.318 0.206 9.690 1.00 10.00 C ATOM 681 CG GLU A 43 7.493 -0.058 11.200 1.00 10.00 C ATOM 682 CD GLU A 43 7.735 1.189 12.041 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.767 1.975 12.155 1.00 10.00 O ATOM 684 OE2 GLU A 43 8.868 1.343 12.537 1.00 10.00 O ATOM 0 H GLU A 43 6.974 2.547 10.404 1.00 10.00 H new ATOM 0 HA GLU A 43 6.096 0.979 8.134 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.236 -0.761 9.193 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.234 0.673 9.329 1.00 10.00 H new ATOM 0 HG2 GLU A 43 6.602 -0.563 11.572 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.330 -0.742 11.341 1.00 10.00 H new ATOM 691 N ALA A 44 4.547 0.867 11.059 1.00 10.00 N ATOM 692 CA ALA A 44 3.409 0.350 11.802 1.00 10.00 C ATOM 693 C ALA A 44 2.094 0.662 11.091 1.00 10.00 C ATOM 694 O ALA A 44 1.297 -0.239 10.838 1.00 10.00 O ATOM 695 CB ALA A 44 3.428 0.916 13.224 1.00 10.00 C ATOM 0 H ALA A 44 5.155 1.462 11.622 1.00 10.00 H new ATOM 0 HA ALA A 44 3.486 -0.736 11.858 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.575 0.529 13.781 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.351 0.619 13.721 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.371 2.004 13.183 1.00 10.00 H new ATOM 701 N VAL A 45 1.868 1.933 10.749 1.00 10.00 N ATOM 702 CA VAL A 45 0.643 2.352 10.079 1.00 10.00 C ATOM 703 C VAL A 45 0.481 1.615 8.743 1.00 10.00 C ATOM 704 O VAL A 45 -0.590 1.084 8.446 1.00 10.00 O ATOM 705 CB VAL A 45 0.602 3.888 9.962 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.664 4.463 9.014 1.00 10.00 C ATOM 707 CG2 VAL A 45 -0.793 4.360 9.539 1.00 10.00 C ATOM 0 H VAL A 45 2.525 2.692 10.929 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.225 2.071 10.676 1.00 10.00 H new ATOM 0 HB VAL A 45 0.836 4.270 10.956 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.574 5.549 8.982 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.657 4.191 9.372 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.516 4.057 8.013 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.801 5.447 9.462 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.046 3.926 8.572 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.525 4.043 10.282 1.00 10.00 H new ATOM 717 N LEU A 46 1.560 1.534 7.957 1.00 10.00 N ATOM 718 CA LEU A 46 1.571 0.784 6.708 1.00 10.00 C ATOM 719 C LEU A 46 1.204 -0.678 6.970 1.00 10.00 C ATOM 720 O LEU A 46 0.388 -1.257 6.260 1.00 10.00 O ATOM 721 CB LEU A 46 2.955 0.881 6.032 1.00 10.00 C ATOM 722 CG LEU A 46 2.996 1.805 4.805 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.436 1.916 4.290 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.142 1.247 3.663 1.00 10.00 C ATOM 0 H LEU A 46 2.447 1.988 8.174 1.00 10.00 H new ATOM 0 HA LEU A 46 0.830 1.215 6.034 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.680 1.236 6.764 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.270 -0.118 5.731 1.00 10.00 H new ATOM 0 HG LEU A 46 2.610 2.777 5.113 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.462 2.572 3.420 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.072 2.328 5.074 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.799 0.927 4.010 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.191 1.922 2.809 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.519 0.266 3.372 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.108 1.155 3.994 1.00 10.00 H new ATOM 736 N ARG A 47 1.809 -1.278 7.994 1.00 10.00 N ATOM 737 CA ARG A 47 1.676 -2.687 8.326 1.00 10.00 C ATOM 738 C ARG A 47 0.236 -2.967 8.744 1.00 10.00 C ATOM 739 O ARG A 47 -0.333 -3.999 8.387 1.00 10.00 O ATOM 740 CB ARG A 47 2.700 -3.028 9.424 1.00 10.00 C ATOM 741 CG ARG A 47 3.049 -4.517 9.576 1.00 10.00 C ATOM 742 CD ARG A 47 2.188 -5.307 10.575 1.00 10.00 C ATOM 743 NE ARG A 47 0.881 -5.685 10.019 1.00 10.00 N ATOM 744 CZ ARG A 47 -0.045 -6.443 10.622 1.00 10.00 C ATOM 745 NH1 ARG A 47 0.191 -6.932 11.845 1.00 10.00 N ATOM 746 NH2 ARG A 47 -1.200 -6.694 9.997 1.00 10.00 N ATOM 0 H ARG A 47 2.425 -0.776 8.634 1.00 10.00 H new ATOM 0 HA ARG A 47 1.888 -3.325 7.468 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.619 -2.478 9.221 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.316 -2.665 10.377 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.966 -4.992 8.598 1.00 10.00 H new ATOM 0 HG3 ARG A 47 4.092 -4.597 9.882 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.723 -6.207 10.879 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.037 -4.707 11.473 1.00 10.00 H new ATOM 0 HE ARG A 47 0.658 -5.338 9.086 1.00 10.00 H new ATOM 0 HH11 ARG A 47 1.073 -6.727 12.315 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -0.511 -7.509 12.308 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.371 -6.309 9.068 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.910 -7.270 10.449 1.00 10.00 H new ATOM 760 N ALA A 48 -0.346 -2.053 9.517 1.00 10.00 N ATOM 761 CA ALA A 48 -1.720 -2.120 9.973 1.00 10.00 C ATOM 762 C ALA A 48 -2.676 -2.042 8.783 1.00 10.00 C ATOM 763 O ALA A 48 -3.589 -2.854 8.668 1.00 10.00 O ATOM 764 CB ALA A 48 -1.951 -0.976 10.959 1.00 10.00 C ATOM 0 H ALA A 48 0.145 -1.223 9.850 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.912 -3.068 10.475 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.980 -1.006 11.316 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.270 -1.081 11.804 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.767 -0.024 10.461 1.00 10.00 H new ATOM 770 N GLN A 49 -2.463 -1.063 7.900 1.00 10.00 N ATOM 771 CA GLN A 49 -3.265 -0.863 6.707 1.00 10.00 C ATOM 772 C GLN A 49 -3.004 -1.936 5.640 1.00 10.00 C ATOM 773 O GLN A 49 -3.807 -2.107 4.725 1.00 10.00 O ATOM 774 CB GLN A 49 -2.965 0.546 6.189 1.00 10.00 C ATOM 775 CG GLN A 49 -3.591 1.630 7.078 1.00 10.00 C ATOM 776 CD GLN A 49 -5.115 1.597 7.029 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.708 1.961 6.021 1.00 10.00 O ATOM 778 NE2 GLN A 49 -5.766 1.160 8.104 1.00 10.00 N ATOM 0 H GLN A 49 -1.713 -0.379 8.003 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.323 -0.960 6.950 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.886 0.693 6.143 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.344 0.647 5.172 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.258 1.493 8.107 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.239 2.610 6.757 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.246 0.863 8.930 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.785 1.122 8.102 1.00 10.00 H new ATOM 787 N ALA A 50 -1.880 -2.650 5.732 1.00 10.00 N ATOM 788 CA ALA A 50 -1.549 -3.732 4.819 1.00 10.00 C ATOM 789 C ALA A 50 -2.697 -4.737 4.716 1.00 10.00 C ATOM 790 O ALA A 50 -3.243 -5.163 5.733 1.00 10.00 O ATOM 791 CB ALA A 50 -0.289 -4.456 5.294 1.00 10.00 C ATOM 0 H ALA A 50 -1.173 -2.488 6.449 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.375 -3.296 3.835 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.051 -5.264 4.602 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.543 -3.753 5.330 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.459 -4.868 6.289 1.00 10.00 H new ATOM 797 N GLY A 51 -3.028 -5.141 3.491 1.00 10.00 N ATOM 798 CA GLY A 51 -4.054 -6.124 3.195 1.00 10.00 C ATOM 799 C GLY A 51 -5.033 -5.597 2.150 1.00 10.00 C ATOM 800 O GLY A 51 -5.526 -6.362 1.327 1.00 10.00 O ATOM 0 H GLY A 51 -2.571 -4.778 2.654 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.590 -7.041 2.833 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.593 -6.378 4.108 1.00 10.00 H new ATOM 804 N GLY A 52 -5.336 -4.296 2.164 1.00 10.00 N ATOM 805 CA GLY A 52 -6.348 -3.739 1.283 1.00 10.00 C ATOM 806 C GLY A 52 -6.960 -2.502 1.920 1.00 10.00 C ATOM 807 O GLY A 52 -6.426 -2.011 2.909 1.00 10.00 O ATOM 0 H GLY A 52 -4.891 -3.614 2.778 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.905 -3.482 0.321 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.123 -4.481 1.089 1.00 10.00 H new ATOM 811 N ASP A 53 -8.057 -2.021 1.321 1.00 10.00 N ATOM 812 CA ASP A 53 -8.846 -0.853 1.708 1.00 10.00 C ATOM 813 C ASP A 53 -8.083 0.152 2.579 1.00 10.00 C ATOM 814 O ASP A 53 -8.392 0.346 3.753 1.00 10.00 O ATOM 815 CB ASP A 53 -10.165 -1.291 2.356 1.00 10.00 C ATOM 816 CG ASP A 53 -11.085 -0.098 2.607 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.875 0.940 1.937 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.999 -0.256 3.445 1.00 10.00 O ATOM 0 H ASP A 53 -8.441 -2.475 0.492 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.070 -0.310 0.790 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.668 -2.011 1.710 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.958 -1.798 3.299 1.00 10.00 H new ATOM 823 N ALA A 54 -7.072 0.794 1.984 1.00 10.00 N ATOM 824 CA ALA A 54 -6.312 1.846 2.644 1.00 10.00 C ATOM 825 C ALA A 54 -6.380 3.139 1.845 1.00 10.00 C ATOM 826 O ALA A 54 -5.647 4.079 2.143 1.00 10.00 O ATOM 827 CB ALA A 54 -4.861 1.406 2.827 1.00 10.00 C ATOM 0 H ALA A 54 -6.763 0.595 1.033 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.750 2.030 3.625 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.300 2.199 3.321 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.829 0.504 3.438 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.417 1.201 1.853 1.00 10.00 H new ATOM 833 N THR A 55 -7.246 3.205 0.830 1.00 10.00 N ATOM 834 CA THR A 55 -7.365 4.390 0.001 1.00 10.00 C ATOM 835 C THR A 55 -7.749 5.576 0.884 1.00 10.00 C ATOM 836 O THR A 55 -7.059 6.593 0.886 1.00 10.00 O ATOM 837 CB THR A 55 -8.367 4.129 -1.133 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.946 3.023 -1.913 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.447 5.344 -2.059 1.00 10.00 C ATOM 0 H THR A 55 -7.874 2.445 0.568 1.00 10.00 H new ATOM 0 HA THR A 55 -6.415 4.633 -0.474 1.00 10.00 H new ATOM 0 HB THR A 55 -9.339 3.930 -0.681 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.343 2.460 -1.384 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.161 5.146 -2.859 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.772 6.215 -1.490 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.465 5.539 -2.490 1.00 10.00 H new ATOM 847 N ALA A 56 -8.818 5.416 1.669 1.00 10.00 N ATOM 848 CA ALA A 56 -9.293 6.453 2.570 1.00 10.00 C ATOM 849 C ALA A 56 -8.209 6.856 3.568 1.00 10.00 C ATOM 850 O ALA A 56 -7.971 8.039 3.777 1.00 10.00 O ATOM 851 CB ALA A 56 -10.559 5.975 3.288 1.00 10.00 C ATOM 0 H ALA A 56 -9.374 4.561 1.693 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.538 7.340 1.985 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.912 6.755 3.962 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.333 5.754 2.553 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.335 5.075 3.860 1.00 10.00 H new ATOM 857 N ASN A 57 -7.533 5.894 4.200 1.00 10.00 N ATOM 858 CA ASN A 57 -6.528 6.236 5.199 1.00 10.00 C ATOM 859 C ASN A 57 -5.347 6.966 4.549 1.00 10.00 C ATOM 860 O ASN A 57 -4.852 7.952 5.095 1.00 10.00 O ATOM 861 CB ASN A 57 -6.072 4.990 5.964 1.00 10.00 C ATOM 862 CG ASN A 57 -5.495 5.313 7.344 1.00 10.00 C ATOM 863 OD1 ASN A 57 -5.562 4.488 8.248 1.00 10.00 O ATOM 864 ND2 ASN A 57 -4.923 6.499 7.554 1.00 10.00 N ATOM 0 H ASN A 57 -7.661 4.895 4.041 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.978 6.915 5.923 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.917 4.312 6.080 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -5.320 4.464 5.376 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -4.538 6.724 8.471 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.871 7.181 6.797 1.00 10.00 H new ATOM 871 N PHE A 58 -4.884 6.472 3.398 1.00 10.00 N ATOM 872 CA PHE A 58 -3.841 7.107 2.603 1.00 10.00 C ATOM 873 C PHE A 58 -4.198 8.553 2.234 1.00 10.00 C ATOM 874 O PHE A 58 -3.384 9.462 2.428 1.00 10.00 O ATOM 875 CB PHE A 58 -3.606 6.267 1.345 1.00 10.00 C ATOM 876 CG PHE A 58 -2.626 6.862 0.356 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.256 6.566 0.460 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.101 7.595 -0.747 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.368 6.972 -0.550 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.210 8.013 -1.748 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.845 7.686 -1.661 1.00 10.00 C ATOM 0 H PHE A 58 -5.232 5.605 2.989 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.928 7.155 3.196 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.245 5.283 1.645 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.561 6.117 0.842 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.885 6.025 1.318 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.151 7.836 -0.824 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.683 6.735 -0.472 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.574 8.587 -2.587 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.166 7.983 -2.446 1.00 10.00 H new ATOM 891 N GLU A 59 -5.384 8.769 1.655 1.00 10.00 N ATOM 892 CA GLU A 59 -5.781 10.092 1.198 1.00 10.00 C ATOM 893 C GLU A 59 -6.085 11.019 2.377 1.00 10.00 C ATOM 894 O GLU A 59 -5.719 12.190 2.339 1.00 10.00 O ATOM 895 CB GLU A 59 -6.872 10.000 0.127 1.00 10.00 C ATOM 896 CG GLU A 59 -8.221 9.456 0.601 1.00 10.00 C ATOM 897 CD GLU A 59 -9.269 10.552 0.723 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.111 11.382 1.641 1.00 10.00 O ATOM 899 OE2 GLU A 59 -10.188 10.545 -0.123 1.00 10.00 O ATOM 0 H GLU A 59 -6.080 8.041 1.495 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.942 10.570 0.692 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.029 10.994 -0.293 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.509 9.366 -0.682 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.571 8.697 -0.098 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.095 8.966 1.567 1.00 10.00 H new ATOM 906 N ALA A 60 -6.643 10.469 3.459 1.00 10.00 N ATOM 907 CA ALA A 60 -6.845 11.178 4.717 1.00 10.00 C ATOM 908 C ALA A 60 -5.538 11.798 5.218 1.00 10.00 C ATOM 909 O ALA A 60 -5.538 12.935 5.683 1.00 10.00 O ATOM 910 CB ALA A 60 -7.446 10.244 5.773 1.00 10.00 C ATOM 0 H ALA A 60 -6.971 9.503 3.482 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.550 11.989 4.537 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.589 10.792 6.704 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.407 9.868 5.422 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.770 9.406 5.945 1.00 10.00 H new ATOM 916 N VAL A 61 -4.423 11.062 5.130 1.00 10.00 N ATOM 917 CA VAL A 61 -3.109 11.625 5.431 1.00 10.00 C ATOM 918 C VAL A 61 -2.792 12.781 4.472 1.00 10.00 C ATOM 919 O VAL A 61 -2.371 13.847 4.913 1.00 10.00 O ATOM 920 CB VAL A 61 -2.033 10.525 5.406 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.622 11.123 5.428 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.195 9.593 6.614 1.00 10.00 C ATOM 0 H VAL A 61 -4.408 10.080 4.854 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.116 12.038 6.440 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.164 9.963 4.481 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.114 10.319 5.410 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.484 11.762 4.556 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.491 11.714 6.335 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.427 8.820 6.583 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.093 10.169 7.534 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.180 9.127 6.585 1.00 10.00 H new ATOM 932 N GLY A 62 -2.990 12.572 3.166 1.00 10.00 N ATOM 933 CA GLY A 62 -2.828 13.618 2.161 1.00 10.00 C ATOM 934 C GLY A 62 -1.468 13.522 1.475 1.00 10.00 C ATOM 935 O GLY A 62 -0.648 14.433 1.550 1.00 10.00 O ATOM 0 H GLY A 62 -3.268 11.670 2.780 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.620 13.536 1.416 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.933 14.596 2.631 1.00 10.00 H new ATOM 939 N HIS A 63 -1.240 12.407 0.782 1.00 10.00 N ATOM 940 CA HIS A 63 0.017 12.110 0.110 1.00 10.00 C ATOM 941 C HIS A 63 0.211 12.958 -1.159 1.00 10.00 C ATOM 942 O HIS A 63 -0.601 12.894 -2.083 1.00 10.00 O ATOM 943 CB HIS A 63 0.037 10.614 -0.210 1.00 10.00 C ATOM 944 CG HIS A 63 0.333 9.751 0.991 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.548 9.345 1.972 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.544 9.179 1.266 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.136 8.542 2.811 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.415 8.396 2.412 1.00 10.00 N ATOM 0 H HIS A 63 -1.940 11.673 0.672 1.00 10.00 H new ATOM 0 HA HIS A 63 0.848 12.366 0.767 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.928 10.326 -0.627 1.00 10.00 H new ATOM 0 HB3 HIS A 63 0.786 10.424 -0.979 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.532 9.604 2.048 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.449 9.312 0.692 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.286 8.076 3.689 1.00 10.00 H new ATOM 956 N SER A 64 1.303 13.731 -1.204 1.00 10.00 N ATOM 957 CA SER A 64 1.670 14.642 -2.283 1.00 10.00 C ATOM 958 C SER A 64 1.980 13.941 -3.614 1.00 10.00 C ATOM 959 O SER A 64 2.013 12.716 -3.702 1.00 10.00 O ATOM 960 CB SER A 64 2.890 15.444 -1.809 1.00 10.00 C ATOM 961 OG SER A 64 2.703 15.812 -0.456 1.00 10.00 O ATOM 0 H SER A 64 1.987 13.734 -0.447 1.00 10.00 H new ATOM 0 HA SER A 64 0.814 15.284 -2.492 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.796 14.848 -1.915 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.019 16.333 -2.426 1.00 10.00 H new ATOM 0 HG SER A 64 3.479 16.323 -0.146 1.00 10.00 H new ATOM 967 N THR A 65 2.267 14.738 -4.649 1.00 10.00 N ATOM 968 CA THR A 65 2.657 14.308 -5.986 1.00 10.00 C ATOM 969 C THR A 65 3.807 13.313 -5.924 1.00 10.00 C ATOM 970 O THR A 65 3.681 12.197 -6.415 1.00 10.00 O ATOM 971 CB THR A 65 3.087 15.553 -6.774 1.00 10.00 C ATOM 972 OG1 THR A 65 3.812 16.403 -5.899 1.00 10.00 O ATOM 973 CG2 THR A 65 1.873 16.317 -7.306 1.00 10.00 C ATOM 0 H THR A 65 2.230 15.754 -4.567 1.00 10.00 H new ATOM 0 HA THR A 65 1.816 13.813 -6.472 1.00 10.00 H new ATOM 0 HB THR A 65 3.697 15.242 -7.622 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.098 17.205 -6.384 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.209 17.194 -7.860 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.296 15.669 -7.967 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.247 16.633 -6.471 1.00 10.00 H new ATOM 981 N ASP A 66 4.916 13.730 -5.310 1.00 10.00 N ATOM 982 CA ASP A 66 6.096 12.902 -5.099 1.00 10.00 C ATOM 983 C ASP A 66 5.699 11.511 -4.640 1.00 10.00 C ATOM 984 O ASP A 66 6.032 10.522 -5.274 1.00 10.00 O ATOM 985 CB ASP A 66 6.962 13.542 -4.016 1.00 10.00 C ATOM 986 CG ASP A 66 8.244 12.743 -3.829 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.196 11.793 -3.019 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.229 13.089 -4.512 1.00 10.00 O ATOM 0 H ASP A 66 5.017 14.675 -4.939 1.00 10.00 H new ATOM 0 HA ASP A 66 6.643 12.825 -6.039 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.202 14.569 -4.291 1.00 10.00 H new ATOM 0 HB3 ASP A 66 6.411 13.584 -3.077 1.00 10.00 H new ATOM 993 N ALA A 67 4.924 11.453 -3.563 1.00 10.00 N ATOM 994 CA ALA A 67 4.422 10.196 -3.027 1.00 10.00 C ATOM 995 C ALA A 67 3.583 9.450 -4.069 1.00 10.00 C ATOM 996 O ALA A 67 3.789 8.255 -4.285 1.00 10.00 O ATOM 997 CB ALA A 67 3.620 10.441 -1.750 1.00 10.00 C ATOM 0 H ALA A 67 4.627 12.276 -3.038 1.00 10.00 H new ATOM 0 HA ALA A 67 5.276 9.566 -2.778 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.252 9.491 -1.363 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.259 10.914 -1.004 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.775 11.094 -1.970 1.00 10.00 H new ATOM 1003 N ARG A 68 2.650 10.166 -4.710 1.00 10.00 N ATOM 1004 CA ARG A 68 1.761 9.662 -5.756 1.00 10.00 C ATOM 1005 C ARG A 68 2.558 9.027 -6.907 1.00 10.00 C ATOM 1006 O ARG A 68 2.070 8.132 -7.603 1.00 10.00 O ATOM 1007 CB ARG A 68 0.893 10.812 -6.315 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.595 10.452 -6.405 1.00 10.00 C ATOM 1009 CD ARG A 68 -1.287 10.711 -5.057 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.673 10.208 -5.032 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.744 10.821 -5.561 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.588 11.932 -6.288 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.967 10.314 -5.366 1.00 10.00 N ATOM 0 H ARG A 68 2.490 11.152 -4.503 1.00 10.00 H new ATOM 0 HA ARG A 68 1.123 8.899 -5.310 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.011 11.690 -5.680 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.256 11.084 -7.306 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -1.073 11.043 -7.187 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.707 9.404 -6.684 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.716 10.234 -4.261 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -1.288 11.781 -4.852 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.833 9.312 -4.571 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -2.655 12.314 -6.441 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -4.402 12.397 -6.690 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -5.085 9.463 -4.816 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -5.782 10.779 -5.767 1.00 10.00 H new ATOM 1027 N GLU A 69 3.762 9.546 -7.145 1.00 10.00 N ATOM 1028 CA GLU A 69 4.652 9.113 -8.197 1.00 10.00 C ATOM 1029 C GLU A 69 5.505 7.950 -7.710 1.00 10.00 C ATOM 1030 O GLU A 69 5.522 6.897 -8.336 1.00 10.00 O ATOM 1031 CB GLU A 69 5.461 10.324 -8.662 1.00 10.00 C ATOM 1032 CG GLU A 69 4.611 11.210 -9.584 1.00 10.00 C ATOM 1033 CD GLU A 69 4.212 10.495 -10.869 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.077 10.345 -11.754 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.045 10.044 -10.933 1.00 10.00 O ATOM 0 H GLU A 69 4.149 10.306 -6.585 1.00 10.00 H new ATOM 0 HA GLU A 69 4.104 8.733 -9.059 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.795 10.900 -7.799 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.356 9.992 -9.189 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.713 11.526 -9.053 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.169 12.113 -9.832 1.00 10.00 H new ATOM 1042 N LEU A 70 6.166 8.113 -6.568 1.00 10.00 N ATOM 1043 CA LEU A 70 6.967 7.108 -5.897 1.00 10.00 C ATOM 1044 C LEU A 70 6.199 5.788 -5.863 1.00 10.00 C ATOM 1045 O LEU A 70 6.677 4.764 -6.344 1.00 10.00 O ATOM 1046 CB LEU A 70 7.345 7.645 -4.507 1.00 10.00 C ATOM 1047 CG LEU A 70 8.316 6.841 -3.628 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.892 5.604 -4.298 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.421 7.740 -3.072 1.00 10.00 C ATOM 0 H LEU A 70 6.153 8.999 -6.063 1.00 10.00 H new ATOM 0 HA LEU A 70 7.896 6.903 -6.429 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.774 8.638 -4.645 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.421 7.772 -3.943 1.00 10.00 H new ATOM 0 HG LEU A 70 7.717 6.462 -2.800 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.566 5.097 -3.608 1.00 10.00 H new ATOM 0 HD12 LEU A 70 8.082 4.930 -4.575 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.442 5.897 -5.192 1.00 10.00 H new ATOM 0 HD21 LEU A 70 10.095 7.148 -2.453 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.980 8.182 -3.897 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.977 8.532 -2.469 1.00 10.00 H new ATOM 1061 N SER A 71 4.974 5.834 -5.343 1.00 10.00 N ATOM 1062 CA SER A 71 4.046 4.715 -5.329 1.00 10.00 C ATOM 1063 C SER A 71 4.034 3.932 -6.655 1.00 10.00 C ATOM 1064 O SER A 71 4.020 2.704 -6.624 1.00 10.00 O ATOM 1065 CB SER A 71 2.666 5.223 -4.904 1.00 10.00 C ATOM 1066 OG SER A 71 2.141 6.248 -5.715 1.00 10.00 O ATOM 0 H SER A 71 4.593 6.675 -4.909 1.00 10.00 H new ATOM 0 HA SER A 71 4.381 3.982 -4.596 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.969 4.385 -4.905 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.727 5.586 -3.878 1.00 10.00 H new ATOM 0 HG SER A 71 2.741 6.405 -6.474 1.00 10.00 H new ATOM 1072 N LYS A 72 4.081 4.602 -7.817 1.00 10.00 N ATOM 1073 CA LYS A 72 4.119 3.936 -9.122 1.00 10.00 C ATOM 1074 C LYS A 72 5.220 2.867 -9.163 1.00 10.00 C ATOM 1075 O LYS A 72 5.019 1.770 -9.671 1.00 10.00 O ATOM 1076 CB LYS A 72 4.334 4.929 -10.272 1.00 10.00 C ATOM 1077 CG LYS A 72 3.273 6.039 -10.342 1.00 10.00 C ATOM 1078 CD LYS A 72 2.236 5.755 -11.437 1.00 10.00 C ATOM 1079 CE LYS A 72 1.172 6.859 -11.527 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.725 8.159 -11.968 1.00 10.00 N ATOM 0 H LYS A 72 4.094 5.620 -7.875 1.00 10.00 H new ATOM 0 HA LYS A 72 3.147 3.462 -9.256 1.00 10.00 H new ATOM 0 HB2 LYS A 72 5.318 5.386 -10.165 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.337 4.383 -11.215 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.772 6.126 -9.378 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.758 6.996 -10.537 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.741 5.660 -12.398 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.750 4.800 -11.237 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.391 6.548 -12.221 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.701 6.983 -10.552 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 0.962 8.744 -12.364 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 2.151 8.649 -11.155 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.451 7.999 -12.695 1.00 10.00 H new ATOM 1094 N THR A 73 6.383 3.168 -8.590 1.00 10.00 N ATOM 1095 CA THR A 73 7.550 2.299 -8.579 1.00 10.00 C ATOM 1096 C THR A 73 7.313 1.032 -7.749 1.00 10.00 C ATOM 1097 O THR A 73 8.043 0.056 -7.901 1.00 10.00 O ATOM 1098 CB THR A 73 8.751 3.116 -8.072 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.782 4.345 -8.774 1.00 10.00 O ATOM 1100 CG2 THR A 73 10.090 2.404 -8.281 1.00 10.00 C ATOM 0 H THR A 73 6.541 4.052 -8.106 1.00 10.00 H new ATOM 0 HA THR A 73 7.756 1.946 -9.589 1.00 10.00 H new ATOM 0 HB THR A 73 8.622 3.259 -6.999 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.541 4.881 -8.462 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.898 3.030 -7.903 1.00 10.00 H new ATOM 0 HG22 THR A 73 10.085 1.455 -7.744 1.00 10.00 H new ATOM 0 HG23 THR A 73 10.241 2.219 -9.344 1.00 10.00 H new ATOM 1108 N PHE A 74 6.286 1.034 -6.893 1.00 10.00 N ATOM 1109 CA PHE A 74 5.879 -0.113 -6.096 1.00 10.00 C ATOM 1110 C PHE A 74 4.592 -0.721 -6.650 1.00 10.00 C ATOM 1111 O PHE A 74 4.040 -1.645 -6.051 1.00 10.00 O ATOM 1112 CB PHE A 74 5.692 0.334 -4.640 1.00 10.00 C ATOM 1113 CG PHE A 74 6.985 0.712 -3.948 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.950 -0.282 -3.698 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.224 2.038 -3.540 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.156 0.050 -3.062 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.408 2.357 -2.853 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.389 1.371 -2.650 1.00 10.00 C ATOM 0 H PHE A 74 5.704 1.857 -6.736 1.00 10.00 H new ATOM 0 HA PHE A 74 6.651 -0.881 -6.139 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.014 1.187 -4.615 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.213 -0.470 -4.081 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.762 -1.303 -3.996 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.499 2.809 -3.755 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.904 -0.710 -2.890 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.564 3.359 -2.481 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.324 1.631 -2.176 1.00 10.00 H new ATOM 1128 N ILE A 75 4.079 -0.194 -7.767 1.00 10.00 N ATOM 1129 CA ILE A 75 2.808 -0.644 -8.305 1.00 10.00 C ATOM 1130 C ILE A 75 2.992 -2.010 -8.976 1.00 10.00 C ATOM 1131 O ILE A 75 3.892 -2.183 -9.795 1.00 10.00 O ATOM 1132 CB ILE A 75 2.210 0.458 -9.206 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.716 0.654 -8.943 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.485 0.280 -10.707 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.126 -0.447 -9.557 1.00 10.00 C ATOM 0 H ILE A 75 4.530 0.543 -8.309 1.00 10.00 H new ATOM 0 HA ILE A 75 2.072 -0.805 -7.517 1.00 10.00 H new ATOM 0 HB ILE A 75 2.741 1.366 -8.919 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.540 0.686 -7.868 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.402 1.617 -9.346 1.00 10.00 H new ATOM 0 HG21 ILE A 75 2.027 1.100 -11.260 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.561 0.280 -10.882 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.062 -0.666 -11.045 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.179 -0.263 -9.343 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.027 -0.463 -10.636 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.167 -1.408 -9.134 1.00 10.00 H new ATOM 1147 N ILE A 76 2.145 -2.982 -8.622 1.00 10.00 N ATOM 1148 CA ILE A 76 2.199 -4.339 -9.168 1.00 10.00 C ATOM 1149 C ILE A 76 1.028 -4.634 -10.105 1.00 10.00 C ATOM 1150 O ILE A 76 1.082 -5.588 -10.883 1.00 10.00 O ATOM 1151 CB ILE A 76 2.264 -5.362 -8.027 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.210 -5.051 -6.952 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.688 -5.361 -7.456 1.00 10.00 C ATOM 1154 CD1 ILE A 76 0.943 -6.256 -6.059 1.00 10.00 C ATOM 0 H ILE A 76 1.397 -2.846 -7.942 1.00 10.00 H new ATOM 0 HA ILE A 76 3.105 -4.419 -9.768 1.00 10.00 H new ATOM 0 HB ILE A 76 2.035 -6.359 -8.403 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.549 -4.214 -6.342 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.282 -4.741 -7.432 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.754 -6.083 -6.642 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.395 -5.632 -8.240 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.928 -4.367 -7.079 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.193 -5.996 -5.312 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.579 -7.085 -6.666 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.866 -6.550 -5.559 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.049 -3.854 -10.013 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.214 -3.956 -10.862 1.00 10.00 C ATOM 1168 C GLY A 77 -2.399 -3.414 -10.090 1.00 10.00 C ATOM 1169 O GLY A 77 -2.229 -2.649 -9.145 1.00 10.00 O ATOM 0 H GLY A 77 -0.127 -3.111 -9.318 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.067 -3.391 -11.782 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.387 -4.993 -11.149 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.596 -3.795 -10.506 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.826 -3.145 -10.115 1.00 10.00 C ATOM 1175 C GLU A 78 -5.770 -4.083 -9.376 1.00 10.00 C ATOM 1176 O GLU A 78 -5.600 -5.303 -9.350 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.473 -2.500 -11.346 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.941 -1.081 -11.570 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.680 -0.333 -12.675 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.675 -0.888 -13.193 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.245 0.805 -12.955 1.00 10.00 O ATOM 0 H GLU A 78 -3.737 -4.583 -11.139 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.593 -2.358 -9.398 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.273 -3.110 -12.227 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.555 -2.470 -11.218 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.023 -0.518 -10.640 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.881 -1.132 -11.820 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.773 -3.477 -8.752 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.829 -4.200 -8.086 1.00 10.00 C ATOM 1190 C LEU A 79 -8.636 -4.957 -9.135 1.00 10.00 C ATOM 1191 O LEU A 79 -9.049 -4.378 -10.142 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.715 -3.198 -7.351 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.908 -3.883 -6.678 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.452 -4.793 -5.534 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.852 -2.806 -6.163 1.00 10.00 C ATOM 0 H LEU A 79 -6.869 -2.463 -8.698 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.422 -4.911 -7.367 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.125 -2.674 -6.599 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.076 -2.447 -8.054 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.421 -4.513 -7.404 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.321 -5.265 -5.076 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.785 -5.562 -5.924 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.925 -4.201 -4.786 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.709 -3.274 -5.680 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.328 -2.177 -5.443 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.195 -2.194 -6.997 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.886 -6.239 -8.895 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.669 -7.070 -9.799 1.00 10.00 C ATOM 1209 C HIS A 80 -11.023 -6.425 -10.088 1.00 10.00 C ATOM 1210 O HIS A 80 -11.687 -5.955 -9.165 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.824 -8.474 -9.213 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.979 -9.558 -10.242 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.158 -10.126 -10.647 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.964 -10.205 -10.896 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.867 -11.075 -11.547 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.540 -11.158 -11.740 1.00 10.00 N ATOM 0 H HIS A 80 -8.551 -6.731 -8.067 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.144 -7.157 -10.750 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.953 -8.696 -8.596 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.693 -8.487 -8.555 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.908 -10.013 -10.780 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.600 -11.690 -12.049 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.051 -11.789 -12.375 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.463 -6.395 -11.355 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.764 -5.850 -11.700 1.00 10.00 C ATOM 1226 C PRO A 81 -13.900 -6.597 -10.992 1.00 10.00 C ATOM 1227 O PRO A 81 -14.970 -6.026 -10.820 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.856 -5.929 -13.226 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.885 -7.052 -13.589 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.792 -6.918 -12.535 1.00 10.00 C ATOM 0 HA PRO A 81 -12.871 -4.818 -11.364 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.870 -6.155 -13.555 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.571 -4.987 -13.694 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.366 -8.029 -13.549 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.489 -6.932 -14.598 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.324 -7.881 -12.328 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.002 -6.245 -12.870 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.665 -7.837 -10.541 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.668 -8.605 -9.802 1.00 10.00 C ATOM 1240 C ASP A 82 -15.042 -7.907 -8.490 1.00 10.00 C ATOM 1241 O ASP A 82 -16.185 -7.972 -8.048 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.141 -10.018 -9.533 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.187 -10.898 -8.864 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.155 -11.253 -9.569 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.957 -11.246 -7.688 1.00 10.00 O ATOM 0 H ASP A 82 -12.782 -8.329 -10.678 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.572 -8.672 -10.408 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.831 -10.474 -10.473 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.256 -9.961 -8.899 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.066 -7.229 -7.875 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.259 -6.538 -6.605 1.00 10.00 C ATOM 1252 C ASP A 83 -14.980 -5.191 -6.784 1.00 10.00 C ATOM 1253 O ASP A 83 -15.495 -4.634 -5.818 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.891 -6.358 -5.938 1.00 10.00 C ATOM 1255 CG ASP A 83 -13.015 -5.892 -4.494 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.273 -6.771 -3.644 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.779 -4.690 -4.253 1.00 10.00 O ATOM 0 H ASP A 83 -13.120 -7.147 -8.249 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.904 -7.140 -5.965 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.346 -7.302 -5.968 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.305 -5.633 -6.503 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.978 -4.644 -8.007 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.495 -3.308 -8.285 1.00 10.00 C ATOM 1264 C ARG A 84 -17.025 -3.257 -8.243 1.00 10.00 C ATOM 1265 O ARG A 84 -17.653 -4.251 -8.667 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.987 -2.813 -9.653 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.255 -1.473 -9.554 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.864 -1.648 -8.927 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.899 -2.334 -9.811 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.234 -1.743 -10.820 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.575 -0.509 -11.204 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.231 -2.372 -11.441 1.00 10.00 N ATOM 0 H ARG A 84 -14.615 -5.122 -8.831 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.125 -2.650 -7.499 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.317 -3.559 -10.080 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.830 -2.713 -10.336 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.157 -1.034 -10.547 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.843 -0.777 -8.955 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.468 -0.668 -8.662 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.961 -2.214 -8.000 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.725 -3.325 -9.644 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.336 -0.020 -10.733 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.074 -0.056 -11.968 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.961 -3.312 -11.151 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.735 -1.912 -12.205 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.871 7.316 3.214 1.00 10.00 FE HETATM 1288 CHA HEM A 201 3.986 10.232 4.742 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.060 7.861 0.545 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.526 4.566 1.565 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.798 6.695 5.966 1.00 10.00 C HETATM 1292 NA HEM A 201 4.274 8.766 2.738 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.531 9.873 3.501 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.487 10.679 2.778 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.865 9.971 1.659 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.043 8.784 1.600 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.938 10.367 0.672 1.00 10.00 C HETATM 1298 CAA HEM A 201 5.925 12.078 3.153 1.00 10.00 C HETATM 1299 CBA HEM A 201 7.027 12.107 4.212 1.00 10.00 C HETATM 1300 CGA HEM A 201 7.330 13.519 4.694 1.00 10.00 C HETATM 1301 O1A HEM A 201 7.277 14.434 3.844 1.00 10.00 O HETATM 1302 O2A HEM A 201 7.621 13.650 5.902 1.00 10.00 O HETATM 1303 NB HEM A 201 3.236 6.379 1.401 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.186 6.769 0.473 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.130 5.833 -0.631 1.00 10.00 C HETATM 1306 C3B HEM A 201 3.101 4.970 -0.344 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.558 5.278 0.952 1.00 10.00 C HETATM 1308 CMB HEM A 201 5.042 5.788 -1.838 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.598 3.865 -1.246 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.641 4.082 -2.162 1.00 10.00 C HETATM 1311 NC HEM A 201 1.436 5.884 3.682 1.00 10.00 N HETATM 1312 C1C HEM A 201 1.037 4.866 2.839 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.033 4.152 3.500 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.179 4.735 4.729 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.724 5.846 4.855 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.891 3.036 2.958 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.218 4.328 5.743 1.00 10.00 C HETATM 1318 CBC HEM A 201 -2.207 5.185 6.082 1.00 10.00 C HETATM 1319 ND HEM A 201 2.475 8.286 5.048 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.620 7.826 6.012 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.711 8.733 7.132 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.590 9.735 6.785 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.062 9.452 5.446 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.010 8.602 8.464 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.069 10.835 7.711 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.133 12.035 7.834 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.248 13.010 6.666 1.00 10.00 C HETATM 1328 O1D HEM A 201 2.208 12.537 5.510 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.375 14.217 6.957 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.382 9.471 0.238 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 7.709 10.943 1.184 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 6.498 10.974 -0.120 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.129 4.760 -2.190 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.028 6.163 -1.563 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 4.626 6.409 -2.632 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.199 2.384 3.775 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.321 2.460 2.229 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.774 3.457 2.477 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.063 8.081 8.327 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 0.822 9.594 8.875 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 1.639 8.037 9.152 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.300 3.265 -2.797 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.205 5.075 -2.270 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.957 4.889 6.815 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -2.254 6.172 5.622 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 7.934 11.663 3.801 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 6.728 11.492 5.061 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 5.063 12.634 3.521 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.277 12.592 2.259 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 2.350 12.563 8.762 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 1.105 11.680 7.902 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.040 11.186 7.360 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.223 10.411 8.703 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.299 11.168 5.181 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.780 7.998 -0.248 1.00 10.00 H new HETATM 0 HHC HEM A 201 1.083 3.741 1.027 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.191 6.466 6.829 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.024 2.866 -1.150 1.00 10.00 H new HETATM 0 HAC HEM A 201 -1.172 3.341 6.203 1.00 10.00 H new