USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 659 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= 0.701 K(o=-0.055,f=-3.8) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.756 K(o=-0.055,f=-3.8!) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.557 K(o=0.52,f=-8.8!) USER MOD Set 2.2: A 20 SER OG : rot 105:sc= 1.07 USER MOD Set 3.1: A 13 GLN : amide:sc= -6.02! K(o=-11!,f=3.3) USER MOD Set 3.2: A 14 LYS NZ :NH3+ -158:sc= -5.31! (180deg=1.58) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 167:sc= 2.38 (180deg=1.2) USER MOD Set 4.2: A 7 TYR OH : rot 30:sc= 1.12 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.0761 USER MOD Single : A 16 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.63) USER MOD Single : A 17 ASN : amide:sc= -0.958 K(o=-0.96,f=-5.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -176:sc= 1.25 USER MOD Single : A 26 HIS : no HD1:sc= -0.0191 K(o=-0.019,f=-0.55) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 98:sc= 1.32 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= 0.863 (180deg=-1.23!) USER MOD Single : A 55 THR OG1 : rot 70:sc= 0.84! USER MOD Single : A 61 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-6.7!) USER MOD Single : A 64 SER OG : rot -105:sc= 0.991 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -59:sc= 1.25 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 0.573 (180deg=-0.575!) USER MOD Single : A 73 THR OG1 : rot -23:sc= 0.202 USER MOD Single : A 80 HIS : no HD1:sc= -0.49 K(o=-0.49,f=-1.5) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.296 (180deg=-0.949) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -4.77! (180deg=-4.77!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.441 (180deg=-0.441) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -0.0691 (180deg=-0.0691) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -5.724 20.332 4.271 1.00 10.00 N ATOM 2 CA ALA A 3 -6.545 19.606 3.284 1.00 10.00 C ATOM 3 C ALA A 3 -6.044 18.166 3.214 1.00 10.00 C ATOM 4 O ALA A 3 -5.212 17.797 4.038 1.00 10.00 O ATOM 5 CB ALA A 3 -8.030 19.653 3.664 1.00 10.00 C ATOM 0 HA ALA A 3 -6.451 20.078 2.306 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -8.613 19.110 2.920 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -8.170 19.192 4.642 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -8.364 20.690 3.701 1.00 10.00 H new ATOM 13 N VAL A 4 -6.546 17.390 2.256 1.00 10.00 N ATOM 14 CA VAL A 4 -6.227 15.992 2.002 1.00 10.00 C ATOM 15 C VAL A 4 -6.459 15.781 0.501 1.00 10.00 C ATOM 16 O VAL A 4 -6.867 16.732 -0.167 1.00 10.00 O ATOM 17 CB VAL A 4 -7.131 15.076 2.853 1.00 10.00 C ATOM 18 CG1 VAL A 4 -6.756 15.084 4.338 1.00 10.00 C ATOM 19 CG2 VAL A 4 -8.624 15.384 2.695 1.00 10.00 C ATOM 0 H VAL A 4 -7.233 17.748 1.593 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.200 15.746 2.274 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.952 14.076 2.459 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -7.426 14.422 4.886 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.729 14.739 4.456 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.846 16.097 4.731 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -9.204 14.705 3.320 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.818 16.412 3.000 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.914 15.255 1.652 1.00 10.00 H new ATOM 29 N LYS A 5 -6.245 14.574 -0.034 1.00 10.00 N ATOM 30 CA LYS A 5 -6.743 14.260 -1.372 1.00 10.00 C ATOM 31 C LYS A 5 -8.124 13.661 -1.210 1.00 10.00 C ATOM 32 O LYS A 5 -9.066 14.021 -1.909 1.00 10.00 O ATOM 33 CB LYS A 5 -5.841 13.253 -2.082 1.00 10.00 C ATOM 34 CG LYS A 5 -4.540 13.897 -2.566 1.00 10.00 C ATOM 35 CD LYS A 5 -3.889 12.911 -3.537 1.00 10.00 C ATOM 36 CE LYS A 5 -2.486 13.353 -3.965 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.723 12.212 -4.503 1.00 10.00 N ATOM 0 H LYS A 5 -5.742 13.816 0.428 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.764 15.168 -1.974 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.610 12.431 -1.404 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.373 12.825 -2.932 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.740 14.848 -3.059 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.877 14.106 -1.726 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.830 11.929 -3.068 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.519 12.805 -4.420 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.560 14.136 -4.720 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.958 13.781 -3.113 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.871 12.561 -4.986 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.446 11.581 -3.724 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.314 11.687 -5.180 1.00 10.00 H new ATOM 51 N TYR A 6 -8.188 12.697 -0.299 1.00 10.00 N ATOM 52 CA TYR A 6 -9.216 11.703 -0.228 1.00 10.00 C ATOM 53 C TYR A 6 -9.489 11.082 -1.593 1.00 10.00 C ATOM 54 O TYR A 6 -10.454 11.366 -2.299 1.00 10.00 O ATOM 55 CB TYR A 6 -10.459 12.188 0.473 1.00 10.00 C ATOM 56 CG TYR A 6 -10.414 12.694 1.894 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.378 12.231 2.706 1.00 10.00 C ATOM 58 CD2 TYR A 6 -11.640 13.010 2.508 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.698 11.544 3.881 1.00 10.00 C ATOM 60 CE2 TYR A 6 -11.861 12.634 3.845 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.939 11.791 4.488 1.00 10.00 C ATOM 62 OH TYR A 6 -11.269 11.182 5.661 1.00 10.00 O ATOM 0 H TYR A 6 -7.488 12.595 0.436 1.00 10.00 H new ATOM 0 HA TYR A 6 -8.839 10.900 0.405 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.874 12.991 -0.137 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -11.176 11.367 0.451 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -8.347 12.400 2.432 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -12.405 13.537 1.957 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.004 10.838 4.313 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -12.733 12.991 4.373 1.00 10.00 H new ATOM 0 HH TYR A 6 -12.164 11.469 5.938 1.00 10.00 H new ATOM 72 N TYR A 7 -8.571 10.190 -1.908 1.00 10.00 N ATOM 73 CA TYR A 7 -8.491 9.344 -3.058 1.00 10.00 C ATOM 74 C TYR A 7 -9.678 8.377 -3.061 1.00 10.00 C ATOM 75 O TYR A 7 -10.046 7.794 -2.044 1.00 10.00 O ATOM 76 CB TYR A 7 -7.155 8.600 -2.908 1.00 10.00 C ATOM 77 CG TYR A 7 -6.143 8.678 -4.039 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.508 9.241 -5.277 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.780 8.672 -3.676 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.589 10.033 -5.986 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.846 9.414 -4.417 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.252 10.092 -5.575 1.00 10.00 C ATOM 83 OH TYR A 7 -3.365 10.899 -6.231 1.00 10.00 O ATOM 0 H TYR A 7 -7.778 10.032 -1.286 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.531 9.892 -3.999 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.670 8.971 -2.005 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.381 7.547 -2.739 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.494 9.064 -5.681 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.453 8.094 -2.824 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.914 10.596 -6.848 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.816 9.462 -4.095 1.00 10.00 H new ATOM 0 HH TYR A 7 -3.838 11.675 -6.598 1.00 10.00 H new ATOM 93 N THR A 8 -10.304 8.219 -4.215 1.00 10.00 N ATOM 94 CA THR A 8 -11.533 7.446 -4.318 1.00 10.00 C ATOM 95 C THR A 8 -11.209 5.968 -4.467 1.00 10.00 C ATOM 96 O THR A 8 -10.180 5.632 -5.044 1.00 10.00 O ATOM 97 CB THR A 8 -12.370 7.947 -5.497 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.601 7.943 -6.681 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.879 9.356 -5.199 1.00 10.00 C ATOM 0 H THR A 8 -9.981 8.617 -5.097 1.00 10.00 H new ATOM 0 HA THR A 8 -12.116 7.576 -3.406 1.00 10.00 H new ATOM 0 HB THR A 8 -13.222 7.282 -5.640 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.090 8.409 -7.390 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.475 9.713 -6.039 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.494 9.338 -4.299 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.032 10.024 -5.046 1.00 10.00 H new ATOM 107 N LEU A 9 -12.088 5.075 -3.998 1.00 10.00 N ATOM 108 CA LEU A 9 -11.947 3.655 -4.292 1.00 10.00 C ATOM 109 C LEU A 9 -11.758 3.446 -5.789 1.00 10.00 C ATOM 110 O LEU A 9 -10.852 2.719 -6.170 1.00 10.00 O ATOM 111 CB LEU A 9 -13.103 2.853 -3.688 1.00 10.00 C ATOM 112 CG LEU A 9 -13.195 1.385 -4.149 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.794 0.537 -3.021 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.077 1.209 -5.393 1.00 10.00 C ATOM 0 H LEU A 9 -12.894 5.312 -3.420 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.047 3.267 -3.814 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -13.008 2.871 -2.602 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.039 3.354 -3.934 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.183 1.067 -4.400 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.861 -0.502 -3.343 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.157 0.603 -2.139 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.790 0.906 -2.778 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.106 0.156 -5.673 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.088 1.554 -5.174 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.665 1.792 -6.217 1.00 10.00 H new ATOM 126 N GLU A 10 -12.553 4.144 -6.612 1.00 10.00 N ATOM 127 CA GLU A 10 -12.423 4.187 -8.067 1.00 10.00 C ATOM 128 C GLU A 10 -10.955 4.226 -8.491 1.00 10.00 C ATOM 129 O GLU A 10 -10.508 3.395 -9.278 1.00 10.00 O ATOM 130 CB GLU A 10 -13.165 5.425 -8.595 1.00 10.00 C ATOM 131 CG GLU A 10 -13.232 5.509 -10.126 1.00 10.00 C ATOM 132 CD GLU A 10 -13.969 4.333 -10.748 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.212 4.319 -10.640 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.268 3.464 -11.314 1.00 10.00 O ATOM 0 H GLU A 10 -13.328 4.711 -6.268 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.861 3.283 -8.490 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.180 5.424 -8.197 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.674 6.320 -8.214 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.728 6.436 -10.413 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.220 5.551 -10.528 1.00 10.00 H new ATOM 141 N GLU A 11 -10.203 5.186 -7.955 1.00 10.00 N ATOM 142 CA GLU A 11 -8.771 5.268 -8.196 1.00 10.00 C ATOM 143 C GLU A 11 -8.069 4.090 -7.538 1.00 10.00 C ATOM 144 O GLU A 11 -7.273 3.387 -8.162 1.00 10.00 O ATOM 145 CB GLU A 11 -8.216 6.564 -7.578 1.00 10.00 C ATOM 146 CG GLU A 11 -8.699 7.854 -8.256 1.00 10.00 C ATOM 147 CD GLU A 11 -7.690 8.357 -9.279 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.755 9.063 -8.840 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.871 8.028 -10.469 1.00 10.00 O ATOM 0 H GLU A 11 -10.568 5.920 -7.348 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.596 5.256 -9.272 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.494 6.597 -6.525 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.127 6.533 -7.619 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.656 7.673 -8.746 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.867 8.622 -7.501 1.00 10.00 H new ATOM 156 N ILE A 12 -8.313 3.914 -6.243 1.00 10.00 N ATOM 157 CA ILE A 12 -7.475 3.074 -5.423 1.00 10.00 C ATOM 158 C ILE A 12 -7.429 1.644 -5.954 1.00 10.00 C ATOM 159 O ILE A 12 -6.340 1.074 -5.987 1.00 10.00 O ATOM 160 CB ILE A 12 -7.856 3.161 -3.934 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.666 4.580 -3.368 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.986 2.215 -3.102 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.535 4.800 -2.127 1.00 10.00 C ATOM 0 H ILE A 12 -9.090 4.348 -5.745 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.456 3.455 -5.488 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.908 2.884 -3.871 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.618 4.736 -3.114 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.922 5.316 -4.130 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.269 2.289 -2.052 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.131 1.191 -3.445 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.938 2.490 -3.216 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.380 5.811 -1.749 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.585 4.668 -2.390 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.260 4.079 -1.358 1.00 10.00 H new ATOM 175 N GLN A 13 -8.556 1.073 -6.410 1.00 10.00 N ATOM 176 CA GLN A 13 -8.511 -0.285 -6.977 1.00 10.00 C ATOM 177 C GLN A 13 -7.480 -0.332 -8.087 1.00 10.00 C ATOM 178 O GLN A 13 -6.762 -1.302 -8.299 1.00 10.00 O ATOM 179 CB GLN A 13 -9.804 -0.732 -7.706 1.00 10.00 C ATOM 180 CG GLN A 13 -11.069 0.111 -7.566 1.00 10.00 C ATOM 181 CD GLN A 13 -12.139 -0.383 -8.531 1.00 10.00 C ATOM 182 OE1 GLN A 13 -13.141 -0.949 -8.052 1.00 10.00 O ATOM 183 NE2 GLN A 13 -11.910 -0.187 -9.749 1.00 10.00 N ATOM 0 H GLN A 13 -9.477 1.510 -6.400 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.316 -0.922 -6.114 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -9.573 -0.803 -8.769 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.042 -1.739 -7.364 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.439 0.057 -6.542 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.842 1.158 -7.768 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.055 0.289 -10.037 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -12.579 -0.503 -10.451 1.00 10.00 H new ATOM 190 N LYS A 14 -7.596 0.704 -8.904 1.00 10.00 N ATOM 191 CA LYS A 14 -7.212 0.705 -10.285 1.00 10.00 C ATOM 192 C LYS A 14 -5.682 0.642 -10.326 1.00 10.00 C ATOM 193 O LYS A 14 -5.075 -0.054 -11.140 1.00 10.00 O ATOM 194 CB LYS A 14 -7.809 2.008 -10.844 1.00 10.00 C ATOM 195 CG LYS A 14 -8.114 2.092 -12.334 1.00 10.00 C ATOM 196 CD LYS A 14 -9.290 1.199 -12.783 1.00 10.00 C ATOM 197 CE LYS A 14 -10.691 1.829 -12.639 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.244 1.820 -11.268 1.00 10.00 N ATOM 0 H LYS A 14 -7.978 1.599 -8.598 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.569 -0.134 -10.882 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.736 2.205 -10.305 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.121 2.818 -10.601 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.338 3.127 -12.591 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.222 1.810 -12.894 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.139 0.926 -13.827 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.264 0.275 -12.205 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.647 2.860 -12.990 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.380 1.298 -13.296 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.280 1.903 -11.311 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -10.987 0.930 -10.796 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.855 2.621 -10.731 1.00 10.00 H new ATOM 212 N HIS A 15 -5.067 1.349 -9.376 1.00 10.00 N ATOM 213 CA HIS A 15 -3.647 1.322 -9.089 1.00 10.00 C ATOM 214 C HIS A 15 -3.237 -0.002 -8.425 1.00 10.00 C ATOM 215 O HIS A 15 -2.872 -0.055 -7.250 1.00 10.00 O ATOM 216 CB HIS A 15 -3.335 2.519 -8.201 1.00 10.00 C ATOM 217 CG HIS A 15 -3.344 3.837 -8.934 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.246 4.633 -9.134 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.393 4.423 -9.594 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.617 5.667 -9.906 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.918 5.580 -10.217 1.00 10.00 N ATOM 0 H HIS A 15 -5.577 1.983 -8.761 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.072 1.386 -10.013 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.063 2.559 -7.391 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.357 2.375 -7.743 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.408 4.055 -9.627 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.959 6.459 -10.231 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -4.454 6.229 -10.793 1.00 10.00 H new ATOM 229 N ASN A 16 -3.272 -1.073 -9.214 1.00 10.00 N ATOM 230 CA ASN A 16 -2.983 -2.441 -8.784 1.00 10.00 C ATOM 231 C ASN A 16 -2.237 -3.207 -9.880 1.00 10.00 C ATOM 232 O ASN A 16 -2.397 -4.416 -10.023 1.00 10.00 O ATOM 233 CB ASN A 16 -4.315 -3.108 -8.403 1.00 10.00 C ATOM 234 CG ASN A 16 -4.202 -4.543 -7.895 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.651 -5.490 -8.533 1.00 10.00 O ATOM 236 ND2 ASN A 16 -3.633 -4.694 -6.709 1.00 10.00 N ATOM 0 H ASN A 16 -3.510 -1.012 -10.204 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.325 -2.442 -7.915 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -4.798 -2.505 -7.635 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.970 -3.099 -9.274 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.556 -5.623 -6.295 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.272 -3.881 -6.210 1.00 10.00 H new ATOM 243 N ASN A 17 -1.409 -2.528 -10.684 1.00 10.00 N ATOM 244 CA ASN A 17 -0.693 -3.212 -11.759 1.00 10.00 C ATOM 245 C ASN A 17 0.509 -2.430 -12.280 1.00 10.00 C ATOM 246 O ASN A 17 0.703 -2.325 -13.489 1.00 10.00 O ATOM 247 CB ASN A 17 -1.647 -3.595 -12.908 1.00 10.00 C ATOM 248 CG ASN A 17 -1.001 -4.560 -13.906 1.00 10.00 C ATOM 249 OD1 ASN A 17 0.015 -5.197 -13.624 1.00 10.00 O ATOM 250 ND2 ASN A 17 -1.599 -4.703 -15.085 1.00 10.00 N ATOM 0 H ASN A 17 -1.223 -1.528 -10.611 1.00 10.00 H new ATOM 0 HA ASN A 17 -0.292 -4.126 -11.321 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -2.545 -4.053 -12.494 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -1.962 -2.692 -13.431 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -1.217 -5.350 -15.775 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -2.440 -4.166 -15.299 1.00 10.00 H new ATOM 257 N SER A 18 1.338 -1.877 -11.390 1.00 10.00 N ATOM 258 CA SER A 18 2.675 -1.358 -11.701 1.00 10.00 C ATOM 259 C SER A 18 2.595 0.042 -12.311 1.00 10.00 C ATOM 260 O SER A 18 3.382 0.915 -11.962 1.00 10.00 O ATOM 261 CB SER A 18 3.487 -2.332 -12.573 1.00 10.00 C ATOM 262 OG SER A 18 4.859 -1.998 -12.565 1.00 10.00 O ATOM 0 H SER A 18 1.092 -1.775 -10.406 1.00 10.00 H new ATOM 0 HA SER A 18 3.219 -1.269 -10.761 1.00 10.00 H new ATOM 0 HB2 SER A 18 3.355 -3.350 -12.206 1.00 10.00 H new ATOM 0 HB3 SER A 18 3.110 -2.310 -13.596 1.00 10.00 H new ATOM 0 HG SER A 18 5.353 -2.632 -13.125 1.00 10.00 H new ATOM 268 N LYS A 19 1.578 0.273 -13.147 1.00 10.00 N ATOM 269 CA LYS A 19 0.891 1.547 -13.280 1.00 10.00 C ATOM 270 C LYS A 19 0.976 2.330 -11.965 1.00 10.00 C ATOM 271 O LYS A 19 1.569 3.406 -11.909 1.00 10.00 O ATOM 272 CB LYS A 19 -0.572 1.240 -13.633 1.00 10.00 C ATOM 273 CG LYS A 19 -0.773 0.612 -15.022 1.00 10.00 C ATOM 274 CD LYS A 19 -0.166 1.454 -16.154 1.00 10.00 C ATOM 275 CE LYS A 19 -0.579 0.898 -17.524 1.00 10.00 C ATOM 276 NZ LYS A 19 0.033 1.656 -18.637 1.00 10.00 N ATOM 0 H LYS A 19 1.204 -0.447 -13.765 1.00 10.00 H new ATOM 0 HA LYS A 19 1.350 2.158 -14.057 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -0.981 0.566 -12.880 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.147 2.164 -13.579 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -0.324 -0.381 -15.034 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -1.840 0.482 -15.205 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -0.496 2.489 -16.061 1.00 10.00 H new ATOM 0 HD3 LYS A 19 0.921 1.457 -16.070 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -0.285 -0.149 -17.594 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -1.665 0.931 -17.616 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -0.272 1.248 -19.544 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -0.267 2.650 -18.586 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 1.069 1.603 -18.564 1.00 10.00 H new ATOM 290 N SER A 20 0.452 1.731 -10.896 1.00 10.00 N ATOM 291 CA SER A 20 1.049 1.780 -9.585 1.00 10.00 C ATOM 292 C SER A 20 0.596 0.488 -8.903 1.00 10.00 C ATOM 293 O SER A 20 -0.160 -0.294 -9.495 1.00 10.00 O ATOM 294 CB SER A 20 0.638 3.029 -8.786 1.00 10.00 C ATOM 295 OG SER A 20 0.350 4.138 -9.614 1.00 10.00 O ATOM 0 H SER A 20 -0.413 1.192 -10.930 1.00 10.00 H new ATOM 0 HA SER A 20 2.135 1.854 -9.647 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.238 2.796 -8.181 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.440 3.294 -8.097 1.00 10.00 H new ATOM 0 HG SER A 20 -0.620 4.273 -9.654 1.00 10.00 H new ATOM 301 N THR A 21 1.030 0.304 -7.665 1.00 10.00 N ATOM 302 CA THR A 21 0.457 -0.619 -6.694 1.00 10.00 C ATOM 303 C THR A 21 0.200 0.164 -5.400 1.00 10.00 C ATOM 304 O THR A 21 1.142 0.578 -4.722 1.00 10.00 O ATOM 305 CB THR A 21 1.366 -1.846 -6.520 1.00 10.00 C ATOM 306 OG1 THR A 21 1.412 -2.535 -7.763 1.00 10.00 O ATOM 307 CG2 THR A 21 0.819 -2.796 -5.448 1.00 10.00 C ATOM 0 H THR A 21 1.828 0.818 -7.292 1.00 10.00 H new ATOM 0 HA THR A 21 -0.497 -1.022 -7.033 1.00 10.00 H new ATOM 0 HB THR A 21 2.357 -1.515 -6.208 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.930 -3.361 -7.660 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.484 -3.654 -5.348 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.758 -2.272 -4.494 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.174 -3.139 -5.738 1.00 10.00 H new ATOM 315 N TRP A 22 -1.082 0.408 -5.108 1.00 10.00 N ATOM 316 CA TRP A 22 -1.594 1.190 -3.986 1.00 10.00 C ATOM 317 C TRP A 22 -2.195 0.260 -2.937 1.00 10.00 C ATOM 318 O TRP A 22 -2.630 -0.827 -3.281 1.00 10.00 O ATOM 319 CB TRP A 22 -2.668 2.142 -4.527 1.00 10.00 C ATOM 320 CG TRP A 22 -2.174 3.404 -5.162 1.00 10.00 C ATOM 321 CD1 TRP A 22 -0.904 3.667 -5.528 1.00 10.00 C ATOM 322 CD2 TRP A 22 -2.934 4.586 -5.532 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.842 4.878 -6.178 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.082 5.483 -6.239 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.256 5.002 -5.303 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.562 6.686 -6.786 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.767 6.161 -5.905 1.00 10.00 C ATOM 328 CH2 TRP A 22 -3.937 6.969 -6.699 1.00 10.00 C ATOM 0 H TRP A 22 -1.835 0.039 -5.689 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.790 1.757 -3.517 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.267 1.602 -5.260 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.334 2.409 -3.706 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.059 3.022 -5.339 1.00 10.00 H new ATOM 0 HE1 TRP A 22 0.012 5.278 -6.566 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -4.890 4.419 -4.652 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -1.887 7.380 -7.264 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.802 6.433 -5.758 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.353 7.805 -7.241 1.00 10.00 H new ATOM 339 N LEU A 23 -2.260 0.666 -1.669 1.00 10.00 N ATOM 340 CA LEU A 23 -2.974 -0.069 -0.624 1.00 10.00 C ATOM 341 C LEU A 23 -3.499 0.932 0.391 1.00 10.00 C ATOM 342 O LEU A 23 -2.964 2.037 0.475 1.00 10.00 O ATOM 343 CB LEU A 23 -2.120 -1.125 0.118 1.00 10.00 C ATOM 344 CG LEU A 23 -0.630 -1.206 -0.218 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.195 -1.449 1.046 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.304 -2.344 -1.185 1.00 10.00 C ATOM 0 H LEU A 23 -1.815 1.521 -1.335 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.772 -0.619 -1.122 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.212 -0.937 1.188 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.559 -2.104 -0.073 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.382 -0.252 -0.682 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.252 -1.503 0.786 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.036 -0.630 1.747 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -0.114 -2.387 1.507 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.767 -2.354 -1.388 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.598 -3.295 -0.740 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.849 -2.196 -2.118 1.00 10.00 H new ATOM 358 N ILE A 24 -4.501 0.526 1.178 1.00 10.00 N ATOM 359 CA ILE A 24 -5.020 1.301 2.296 1.00 10.00 C ATOM 360 C ILE A 24 -4.568 0.657 3.599 1.00 10.00 C ATOM 361 O ILE A 24 -4.786 -0.532 3.805 1.00 10.00 O ATOM 362 CB ILE A 24 -6.558 1.437 2.257 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.156 1.448 0.840 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.972 2.680 3.045 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.683 1.343 0.839 1.00 10.00 C ATOM 0 H ILE A 24 -4.978 -0.366 1.049 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.621 2.313 2.223 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.969 0.541 2.723 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.859 2.366 0.333 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.739 0.619 0.268 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.057 2.781 3.021 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.639 2.583 4.078 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.515 3.563 2.598 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.048 1.356 -0.188 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.984 0.412 1.320 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.106 2.186 1.385 1.00 10.00 H new ATOM 377 N LEU A 25 -3.908 1.436 4.454 1.00 10.00 N ATOM 378 CA LEU A 25 -3.422 1.011 5.756 1.00 10.00 C ATOM 379 C LEU A 25 -3.910 2.069 6.740 1.00 10.00 C ATOM 380 O LEU A 25 -3.458 3.209 6.692 1.00 10.00 O ATOM 381 CB LEU A 25 -1.891 0.937 5.749 1.00 10.00 C ATOM 382 CG LEU A 25 -1.279 -0.419 5.376 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.758 -1.002 4.051 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.239 -0.265 5.280 1.00 10.00 C ATOM 0 H LEU A 25 -3.692 2.411 4.248 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.786 0.020 6.026 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.515 1.686 5.052 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.530 1.215 6.739 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.598 -1.105 6.160 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.268 -1.960 3.877 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.838 -1.147 4.087 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.511 -0.316 3.241 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.686 -1.223 5.015 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.482 0.473 4.515 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.633 0.066 6.241 1.00 10.00 H new ATOM 396 N HIS A 26 -4.851 1.724 7.615 1.00 10.00 N ATOM 397 CA HIS A 26 -5.423 2.665 8.568 1.00 10.00 C ATOM 398 C HIS A 26 -6.098 3.822 7.816 1.00 10.00 C ATOM 399 O HIS A 26 -5.905 4.989 8.155 1.00 10.00 O ATOM 400 CB HIS A 26 -4.354 3.156 9.572 1.00 10.00 C ATOM 401 CG HIS A 26 -3.336 2.128 10.023 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.502 1.178 11.007 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.037 2.044 9.591 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.331 0.526 11.145 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.403 1.021 10.307 1.00 10.00 N ATOM 0 H HIS A 26 -5.237 0.782 7.682 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.189 2.160 9.156 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.820 3.992 9.121 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.865 3.542 10.454 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.582 2.660 8.830 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.160 -0.286 11.836 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.435 0.714 10.212 1.00 10.00 H new ATOM 413 N TYR A 27 -6.866 3.508 6.765 1.00 10.00 N ATOM 414 CA TYR A 27 -7.631 4.454 5.945 1.00 10.00 C ATOM 415 C TYR A 27 -6.774 5.396 5.075 1.00 10.00 C ATOM 416 O TYR A 27 -7.223 5.820 4.011 1.00 10.00 O ATOM 417 CB TYR A 27 -8.683 5.201 6.776 1.00 10.00 C ATOM 418 CG TYR A 27 -9.615 4.286 7.553 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.640 3.584 6.888 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.419 4.085 8.932 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.470 2.702 7.598 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.245 3.194 9.641 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.268 2.501 8.973 1.00 10.00 C ATOM 424 OH TYR A 27 -12.080 1.646 9.656 1.00 10.00 O ATOM 0 H TYR A 27 -6.975 2.544 6.450 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.162 3.840 5.218 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.175 5.865 7.475 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.277 5.830 6.113 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.788 3.725 5.827 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -8.632 4.616 9.447 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.264 2.178 7.087 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -10.093 3.043 10.699 1.00 10.00 H new ATOM 0 HH TYR A 27 -11.808 1.618 10.597 1.00 10.00 H new ATOM 434 N LYS A 28 -5.543 5.721 5.484 1.00 10.00 N ATOM 435 CA LYS A 28 -4.573 6.374 4.605 1.00 10.00 C ATOM 436 C LYS A 28 -4.195 5.437 3.449 1.00 10.00 C ATOM 437 O LYS A 28 -4.317 4.221 3.584 1.00 10.00 O ATOM 438 CB LYS A 28 -3.333 6.785 5.415 1.00 10.00 C ATOM 439 CG LYS A 28 -3.460 8.198 5.990 1.00 10.00 C ATOM 440 CD LYS A 28 -2.995 9.227 4.950 1.00 10.00 C ATOM 441 CE LYS A 28 -3.310 10.682 5.330 1.00 10.00 C ATOM 442 NZ LYS A 28 -2.570 11.136 6.523 1.00 10.00 N ATOM 0 H LYS A 28 -5.195 5.540 6.426 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.017 7.273 4.178 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.181 6.076 6.229 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.451 6.732 4.777 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.495 8.394 6.272 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.861 8.287 6.896 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -1.919 9.124 4.807 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.467 9.001 3.994 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.068 11.332 4.489 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.380 10.781 5.513 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -2.821 12.123 6.733 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.819 10.536 7.335 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -1.548 11.070 6.343 1.00 10.00 H new ATOM 456 N VAL A 29 -3.722 6.005 2.332 1.00 10.00 N ATOM 457 CA VAL A 29 -3.355 5.287 1.110 1.00 10.00 C ATOM 458 C VAL A 29 -1.856 5.416 0.839 1.00 10.00 C ATOM 459 O VAL A 29 -1.290 6.509 0.931 1.00 10.00 O ATOM 460 CB VAL A 29 -4.178 5.782 -0.091 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.707 5.198 -1.425 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.636 5.355 0.049 1.00 10.00 C ATOM 0 H VAL A 29 -3.580 7.012 2.254 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.584 4.231 1.256 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.054 6.865 -0.092 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.328 5.587 -2.232 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.668 5.479 -1.599 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.788 4.111 -1.395 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.204 5.714 -0.809 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.694 4.267 0.094 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.053 5.779 0.963 1.00 10.00 H new ATOM 472 N TYR A 30 -1.238 4.282 0.499 1.00 10.00 N ATOM 473 CA TYR A 30 0.180 4.035 0.433 1.00 10.00 C ATOM 474 C TYR A 30 0.475 3.598 -0.997 1.00 10.00 C ATOM 475 O TYR A 30 -0.172 2.652 -1.444 1.00 10.00 O ATOM 476 CB TYR A 30 0.419 2.895 1.440 1.00 10.00 C ATOM 477 CG TYR A 30 0.235 3.360 2.873 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.066 3.523 3.379 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.326 3.846 3.614 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.272 4.206 4.587 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.113 4.476 4.854 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.186 4.661 5.339 1.00 10.00 C ATOM 483 OH TYR A 30 -0.390 5.288 6.532 1.00 10.00 O ATOM 0 H TYR A 30 -1.774 3.452 0.244 1.00 10.00 H new ATOM 0 HA TYR A 30 0.814 4.889 0.671 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.270 2.076 1.232 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.428 2.503 1.312 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.909 3.122 2.837 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.330 3.736 3.231 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.278 4.381 4.938 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.957 4.819 5.434 1.00 10.00 H new ATOM 0 HH TYR A 30 0.474 5.538 6.922 1.00 10.00 H new ATOM 493 N ASP A 31 1.403 4.261 -1.707 1.00 10.00 N ATOM 494 CA ASP A 31 1.927 3.776 -2.990 1.00 10.00 C ATOM 495 C ASP A 31 3.228 3.040 -2.730 1.00 10.00 C ATOM 496 O ASP A 31 4.042 3.529 -1.949 1.00 10.00 O ATOM 497 CB ASP A 31 2.248 4.920 -3.955 1.00 10.00 C ATOM 498 CG ASP A 31 2.443 4.430 -5.389 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.205 3.454 -5.587 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.795 5.019 -6.281 1.00 10.00 O ATOM 0 H ASP A 31 1.809 5.147 -1.406 1.00 10.00 H new ATOM 0 HA ASP A 31 1.163 3.139 -3.436 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.440 5.651 -3.930 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.151 5.431 -3.622 1.00 10.00 H new ATOM 505 N LEU A 32 3.424 1.880 -3.357 1.00 10.00 N ATOM 506 CA LEU A 32 4.611 1.080 -3.137 1.00 10.00 C ATOM 507 C LEU A 32 5.292 0.645 -4.429 1.00 10.00 C ATOM 508 O LEU A 32 6.197 -0.182 -4.394 1.00 10.00 O ATOM 509 CB LEU A 32 4.236 -0.144 -2.307 1.00 10.00 C ATOM 510 CG LEU A 32 3.695 0.273 -0.934 1.00 10.00 C ATOM 511 CD1 LEU A 32 2.186 0.431 -0.915 1.00 10.00 C ATOM 512 CD2 LEU A 32 4.020 -0.731 0.157 1.00 10.00 C ATOM 0 H LEU A 32 2.766 1.478 -4.025 1.00 10.00 H new ATOM 0 HA LEU A 32 5.331 1.703 -2.607 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.485 -0.731 -2.836 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.109 -0.784 -2.180 1.00 10.00 H new ATOM 0 HG LEU A 32 4.187 1.227 -0.745 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.864 0.727 0.083 1.00 10.00 H new ATOM 0 HD12 LEU A 32 1.891 1.196 -1.633 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.718 -0.516 -1.181 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.612 -0.382 1.106 1.00 10.00 H new ATOM 0 HD22 LEU A 32 3.580 -1.696 -0.094 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.101 -0.836 0.244 1.00 10.00 H new ATOM 524 N THR A 33 4.894 1.207 -5.562 1.00 10.00 N ATOM 525 CA THR A 33 5.342 0.791 -6.890 1.00 10.00 C ATOM 526 C THR A 33 6.868 0.674 -6.996 1.00 10.00 C ATOM 527 O THR A 33 7.380 -0.332 -7.478 1.00 10.00 O ATOM 528 CB THR A 33 4.761 1.773 -7.909 1.00 10.00 C ATOM 529 OG1 THR A 33 3.374 1.874 -7.662 1.00 10.00 O ATOM 530 CG2 THR A 33 4.986 1.308 -9.347 1.00 10.00 C ATOM 0 H THR A 33 4.234 1.984 -5.587 1.00 10.00 H new ATOM 0 HA THR A 33 4.977 -0.215 -7.095 1.00 10.00 H new ATOM 0 HB THR A 33 5.261 2.735 -7.799 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.195 2.672 -7.123 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.557 2.036 -10.036 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.055 1.215 -9.536 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.506 0.341 -9.496 1.00 10.00 H new ATOM 538 N LYS A 34 7.610 1.680 -6.527 1.00 10.00 N ATOM 539 CA LYS A 34 9.070 1.633 -6.531 1.00 10.00 C ATOM 540 C LYS A 34 9.604 0.598 -5.532 1.00 10.00 C ATOM 541 O LYS A 34 10.703 0.077 -5.708 1.00 10.00 O ATOM 542 CB LYS A 34 9.613 3.049 -6.270 1.00 10.00 C ATOM 543 CG LYS A 34 11.149 3.120 -6.257 1.00 10.00 C ATOM 544 CD LYS A 34 11.709 3.038 -4.827 1.00 10.00 C ATOM 545 CE LYS A 34 13.204 2.699 -4.852 1.00 10.00 C ATOM 546 NZ LYS A 34 13.749 2.547 -3.491 1.00 10.00 N ATOM 0 H LYS A 34 7.220 2.539 -6.139 1.00 10.00 H new ATOM 0 HA LYS A 34 9.424 1.303 -7.508 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.232 3.724 -7.037 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.232 3.406 -5.313 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.556 2.305 -6.855 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.474 4.050 -6.723 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.554 3.988 -4.315 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.168 2.279 -4.262 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.359 1.777 -5.412 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.747 3.485 -5.376 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.652 2.032 -3.534 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.906 3.486 -3.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.075 2.015 -2.904 1.00 10.00 H new ATOM 560 N PHE A 35 8.853 0.334 -4.464 1.00 10.00 N ATOM 561 CA PHE A 35 9.269 -0.541 -3.382 1.00 10.00 C ATOM 562 C PHE A 35 9.025 -2.001 -3.735 1.00 10.00 C ATOM 563 O PHE A 35 9.726 -2.857 -3.214 1.00 10.00 O ATOM 564 CB PHE A 35 8.501 -0.176 -2.107 1.00 10.00 C ATOM 565 CG PHE A 35 8.973 -0.896 -0.865 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.291 -0.733 -0.401 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.076 -1.706 -0.150 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.719 -1.407 0.756 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.489 -2.340 1.028 1.00 10.00 C ATOM 570 CZ PHE A 35 9.817 -2.213 1.472 1.00 10.00 C ATOM 0 H PHE A 35 7.923 0.732 -4.329 1.00 10.00 H new ATOM 0 HA PHE A 35 10.338 -0.407 -3.218 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.584 0.898 -1.943 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.444 -0.395 -2.259 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.975 -0.089 -0.934 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.066 -1.840 -0.509 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.740 -1.306 1.094 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.785 -2.929 1.598 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.143 -2.733 2.361 1.00 10.00 H new ATOM 580 N LEU A 36 8.051 -2.291 -4.603 1.00 10.00 N ATOM 581 CA LEU A 36 7.765 -3.625 -5.130 1.00 10.00 C ATOM 582 C LEU A 36 9.039 -4.453 -5.337 1.00 10.00 C ATOM 583 O LEU A 36 9.133 -5.587 -4.875 1.00 10.00 O ATOM 584 CB LEU A 36 7.010 -3.477 -6.460 1.00 10.00 C ATOM 585 CG LEU A 36 5.620 -2.856 -6.338 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.917 -2.957 -7.695 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.784 -3.509 -5.242 1.00 10.00 C ATOM 0 H LEU A 36 7.420 -1.578 -4.969 1.00 10.00 H new ATOM 0 HA LEU A 36 7.156 -4.159 -4.401 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.608 -2.866 -7.136 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.915 -4.461 -6.920 1.00 10.00 H new ATOM 0 HG LEU A 36 5.733 -1.811 -6.051 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.922 -2.517 -7.623 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.497 -2.421 -8.446 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.830 -4.005 -7.983 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.806 -3.031 -5.197 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.660 -4.569 -5.462 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.288 -3.394 -4.283 1.00 10.00 H new ATOM 599 N GLU A 37 10.015 -3.844 -6.011 1.00 10.00 N ATOM 600 CA GLU A 37 11.346 -4.378 -6.250 1.00 10.00 C ATOM 601 C GLU A 37 12.054 -4.799 -4.956 1.00 10.00 C ATOM 602 O GLU A 37 12.616 -5.889 -4.863 1.00 10.00 O ATOM 603 CB GLU A 37 12.150 -3.267 -6.943 1.00 10.00 C ATOM 604 CG GLU A 37 11.634 -2.958 -8.357 1.00 10.00 C ATOM 605 CD GLU A 37 11.805 -4.142 -9.301 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.977 -4.456 -9.601 1.00 10.00 O ATOM 607 OE2 GLU A 37 10.765 -4.710 -9.697 1.00 10.00 O ATOM 0 H GLU A 37 9.887 -2.920 -6.423 1.00 10.00 H new ATOM 0 HA GLU A 37 11.270 -5.276 -6.863 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.107 -2.361 -6.338 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.198 -3.563 -6.999 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.580 -2.685 -8.306 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.168 -2.096 -8.757 1.00 10.00 H new ATOM 614 N GLU A 38 12.085 -3.892 -3.981 1.00 10.00 N ATOM 615 CA GLU A 38 12.908 -3.980 -2.783 1.00 10.00 C ATOM 616 C GLU A 38 12.249 -4.828 -1.691 1.00 10.00 C ATOM 617 O GLU A 38 12.945 -5.473 -0.911 1.00 10.00 O ATOM 618 CB GLU A 38 13.165 -2.558 -2.269 1.00 10.00 C ATOM 619 CG GLU A 38 13.926 -1.717 -3.304 1.00 10.00 C ATOM 620 CD GLU A 38 14.023 -0.256 -2.908 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.014 0.307 -2.424 1.00 10.00 O ATOM 622 OE2 GLU A 38 15.064 0.378 -3.190 1.00 10.00 O ATOM 0 H GLU A 38 11.516 -3.046 -4.008 1.00 10.00 H new ATOM 0 HA GLU A 38 13.847 -4.472 -3.038 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.215 -2.077 -2.035 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.737 -2.602 -1.342 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.930 -2.123 -3.430 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.426 -1.796 -4.270 1.00 10.00 H new ATOM 629 N HIS A 39 10.917 -4.773 -1.602 1.00 10.00 N ATOM 630 CA HIS A 39 10.106 -5.367 -0.549 1.00 10.00 C ATOM 631 C HIS A 39 10.549 -6.802 -0.243 1.00 10.00 C ATOM 632 O HIS A 39 10.381 -7.665 -1.107 1.00 10.00 O ATOM 633 CB HIS A 39 8.632 -5.344 -0.990 1.00 10.00 C ATOM 634 CG HIS A 39 7.641 -5.864 0.029 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.430 -6.455 -0.264 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.667 -5.640 1.381 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.743 -6.554 0.891 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.448 -6.058 1.930 1.00 10.00 N ATOM 0 H HIS A 39 10.353 -4.288 -2.299 1.00 10.00 H new ATOM 0 HA HIS A 39 10.232 -4.788 0.366 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.362 -4.319 -1.244 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.534 -5.934 -1.901 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.113 -6.760 -1.184 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.491 -5.212 1.932 1.00 10.00 H new ATOM 0 HE1 HIS A 39 4.753 -6.977 0.975 1.00 10.00 H new ATOM 646 N PRO A 40 11.051 -7.095 0.970 1.00 10.00 N ATOM 647 CA PRO A 40 11.252 -8.458 1.450 1.00 10.00 C ATOM 648 C PRO A 40 9.901 -9.179 1.565 1.00 10.00 C ATOM 649 O PRO A 40 9.387 -9.379 2.655 1.00 10.00 O ATOM 650 CB PRO A 40 11.970 -8.313 2.805 1.00 10.00 C ATOM 651 CG PRO A 40 12.606 -6.927 2.734 1.00 10.00 C ATOM 652 CD PRO A 40 11.568 -6.141 1.938 1.00 10.00 C ATOM 0 HA PRO A 40 11.851 -9.065 0.771 1.00 10.00 H new ATOM 0 HB2 PRO A 40 11.271 -8.390 3.638 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.721 -9.091 2.945 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.768 -6.502 3.724 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.574 -6.948 2.233 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.776 -5.763 2.584 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.016 -5.279 1.445 1.00 10.00 H new ATOM 660 N GLY A 41 9.290 -9.515 0.432 1.00 10.00 N ATOM 661 CA GLY A 41 7.859 -9.765 0.332 1.00 10.00 C ATOM 662 C GLY A 41 7.449 -9.797 -1.140 1.00 10.00 C ATOM 663 O GLY A 41 6.637 -10.626 -1.542 1.00 10.00 O ATOM 0 H GLY A 41 9.784 -9.622 -0.454 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.610 -10.712 0.811 1.00 10.00 H new ATOM 0 HA3 GLY A 41 7.305 -8.987 0.858 1.00 10.00 H new ATOM 667 N GLY A 42 8.031 -8.912 -1.959 1.00 10.00 N ATOM 668 CA GLY A 42 7.775 -8.862 -3.388 1.00 10.00 C ATOM 669 C GLY A 42 6.439 -8.202 -3.695 1.00 10.00 C ATOM 670 O GLY A 42 5.798 -7.622 -2.811 1.00 10.00 O ATOM 0 H GLY A 42 8.696 -8.209 -1.638 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.575 -8.312 -3.883 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.784 -9.873 -3.795 1.00 10.00 H new ATOM 674 N GLU A 43 6.058 -8.285 -4.974 1.00 10.00 N ATOM 675 CA GLU A 43 4.846 -7.693 -5.508 1.00 10.00 C ATOM 676 C GLU A 43 3.673 -8.656 -5.343 1.00 10.00 C ATOM 677 O GLU A 43 2.776 -8.355 -4.581 1.00 10.00 O ATOM 678 CB GLU A 43 5.092 -7.210 -6.947 1.00 10.00 C ATOM 679 CG GLU A 43 3.842 -6.869 -7.787 1.00 10.00 C ATOM 680 CD GLU A 43 2.961 -5.748 -7.242 1.00 10.00 C ATOM 681 OE1 GLU A 43 2.733 -5.707 -6.020 1.00 10.00 O ATOM 682 OE2 GLU A 43 2.438 -4.983 -8.088 1.00 10.00 O ATOM 0 H GLU A 43 6.605 -8.781 -5.678 1.00 10.00 H new ATOM 0 HA GLU A 43 4.567 -6.803 -4.944 1.00 10.00 H new ATOM 0 HB2 GLU A 43 5.726 -6.324 -6.905 1.00 10.00 H new ATOM 0 HB3 GLU A 43 5.656 -7.981 -7.473 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.166 -6.595 -8.791 1.00 10.00 H new ATOM 0 HG3 GLU A 43 3.235 -7.769 -7.882 1.00 10.00 H new ATOM 689 N GLU A 44 3.650 -9.813 -6.006 1.00 10.00 N ATOM 690 CA GLU A 44 2.461 -10.672 -6.106 1.00 10.00 C ATOM 691 C GLU A 44 1.580 -10.722 -4.836 1.00 10.00 C ATOM 692 O GLU A 44 0.422 -10.299 -4.856 1.00 10.00 O ATOM 693 CB GLU A 44 2.880 -12.076 -6.563 1.00 10.00 C ATOM 694 CG GLU A 44 3.652 -12.039 -7.891 1.00 10.00 C ATOM 695 CD GLU A 44 3.849 -13.441 -8.452 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.298 -14.302 -7.665 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.546 -13.621 -9.650 1.00 10.00 O ATOM 0 H GLU A 44 4.463 -10.187 -6.495 1.00 10.00 H new ATOM 0 HA GLU A 44 1.814 -10.213 -6.854 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.500 -12.538 -5.795 1.00 10.00 H new ATOM 0 HB3 GLU A 44 1.994 -12.701 -6.675 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.110 -11.428 -8.613 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.622 -11.566 -7.738 1.00 10.00 H new ATOM 704 N VAL A 45 2.135 -11.199 -3.717 1.00 10.00 N ATOM 705 CA VAL A 45 1.440 -11.280 -2.429 1.00 10.00 C ATOM 706 C VAL A 45 0.961 -9.907 -1.934 1.00 10.00 C ATOM 707 O VAL A 45 -0.080 -9.801 -1.291 1.00 10.00 O ATOM 708 CB VAL A 45 2.353 -11.983 -1.405 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.609 -11.165 -1.079 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.609 -12.309 -0.104 1.00 10.00 C ATOM 0 H VAL A 45 3.094 -11.545 -3.681 1.00 10.00 H new ATOM 0 HA VAL A 45 0.534 -11.872 -2.558 1.00 10.00 H new ATOM 0 HB VAL A 45 2.663 -12.914 -1.880 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.217 -11.705 -0.353 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.186 -11.006 -1.990 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.317 -10.201 -0.662 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.289 -12.804 0.590 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.240 -11.387 0.345 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.769 -12.969 -0.321 1.00 10.00 H new ATOM 720 N LEU A 46 1.712 -8.847 -2.225 1.00 10.00 N ATOM 721 CA LEU A 46 1.304 -7.478 -1.962 1.00 10.00 C ATOM 722 C LEU A 46 0.144 -7.101 -2.889 1.00 10.00 C ATOM 723 O LEU A 46 -0.862 -6.565 -2.431 1.00 10.00 O ATOM 724 CB LEU A 46 2.518 -6.543 -2.105 1.00 10.00 C ATOM 725 CG LEU A 46 2.258 -5.084 -1.716 1.00 10.00 C ATOM 726 CD1 LEU A 46 1.802 -4.975 -0.264 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.560 -4.297 -1.885 1.00 10.00 C ATOM 0 H LEU A 46 2.633 -8.921 -2.656 1.00 10.00 H new ATOM 0 HA LEU A 46 0.940 -7.375 -0.940 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.330 -6.929 -1.489 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.861 -6.572 -3.139 1.00 10.00 H new ATOM 0 HG LEU A 46 1.472 -4.684 -2.356 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.625 -3.928 -0.016 1.00 10.00 H new ATOM 0 HD12 LEU A 46 0.880 -5.541 -0.129 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.575 -5.378 0.391 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.393 -3.255 -1.612 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.329 -4.722 -1.240 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.886 -4.352 -2.923 1.00 10.00 H new ATOM 739 N ARG A 47 0.256 -7.412 -4.183 1.00 10.00 N ATOM 740 CA ARG A 47 -0.685 -7.021 -5.221 1.00 10.00 C ATOM 741 C ARG A 47 -2.073 -7.567 -4.889 1.00 10.00 C ATOM 742 O ARG A 47 -3.080 -6.874 -5.021 1.00 10.00 O ATOM 743 CB ARG A 47 -0.241 -7.528 -6.593 1.00 10.00 C ATOM 744 CG ARG A 47 -1.162 -6.928 -7.663 1.00 10.00 C ATOM 745 CD ARG A 47 -0.647 -7.210 -9.068 1.00 10.00 C ATOM 746 NE ARG A 47 0.583 -6.455 -9.334 1.00 10.00 N ATOM 747 CZ ARG A 47 1.118 -6.260 -10.540 1.00 10.00 C ATOM 748 NH1 ARG A 47 0.563 -6.825 -11.614 1.00 10.00 N ATOM 749 NH2 ARG A 47 2.187 -5.473 -10.648 1.00 10.00 N ATOM 0 H ARG A 47 1.035 -7.963 -4.544 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.718 -5.932 -5.259 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.794 -7.244 -6.784 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.284 -8.617 -6.625 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -2.165 -7.340 -7.553 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.241 -5.851 -7.513 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.456 -8.277 -9.183 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -1.409 -6.942 -9.800 1.00 10.00 H new ATOM 0 HE ARG A 47 1.067 -6.047 -8.534 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -0.270 -7.405 -11.512 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.971 -6.676 -12.537 1.00 10.00 H new ATOM 0 HH21 ARG A 47 2.582 -5.032 -9.817 1.00 10.00 H new ATOM 0 HH22 ARG A 47 2.611 -5.311 -11.561 1.00 10.00 H new ATOM 763 N GLU A 48 -2.086 -8.827 -4.454 1.00 10.00 N ATOM 764 CA GLU A 48 -3.232 -9.573 -3.953 1.00 10.00 C ATOM 765 C GLU A 48 -4.035 -8.793 -2.897 1.00 10.00 C ATOM 766 O GLU A 48 -5.220 -9.052 -2.689 1.00 10.00 O ATOM 767 CB GLU A 48 -2.643 -10.861 -3.367 1.00 10.00 C ATOM 768 CG GLU A 48 -3.654 -11.866 -2.788 1.00 10.00 C ATOM 769 CD GLU A 48 -4.594 -12.457 -3.834 1.00 10.00 C ATOM 770 OE1 GLU A 48 -4.224 -12.425 -5.029 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.657 -12.960 -3.413 1.00 10.00 O ATOM 0 H GLU A 48 -1.235 -9.389 -4.443 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.948 -9.770 -4.751 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -2.070 -11.362 -4.147 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.940 -10.589 -2.580 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.111 -12.676 -2.301 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.246 -11.371 -2.018 1.00 10.00 H new ATOM 778 N GLN A 49 -3.393 -7.884 -2.162 1.00 10.00 N ATOM 779 CA GLN A 49 -4.033 -7.054 -1.143 1.00 10.00 C ATOM 780 C GLN A 49 -4.161 -5.598 -1.597 1.00 10.00 C ATOM 781 O GLN A 49 -5.057 -4.876 -1.161 1.00 10.00 O ATOM 782 CB GLN A 49 -3.209 -7.154 0.138 1.00 10.00 C ATOM 783 CG GLN A 49 -3.010 -8.598 0.618 1.00 10.00 C ATOM 784 CD GLN A 49 -4.285 -9.275 1.110 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.440 -9.469 2.314 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.188 -9.668 0.214 1.00 10.00 N ATOM 0 H GLN A 49 -2.394 -7.701 -2.261 1.00 10.00 H new ATOM 0 HA GLN A 49 -5.047 -7.415 -0.968 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.234 -6.696 -0.028 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.701 -6.581 0.924 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.592 -9.186 -0.199 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.275 -8.603 1.423 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.031 -9.493 -0.779 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.036 -10.144 0.520 1.00 10.00 H new ATOM 795 N ALA A 50 -3.235 -5.168 -2.449 1.00 10.00 N ATOM 796 CA ALA A 50 -3.222 -3.864 -3.084 1.00 10.00 C ATOM 797 C ALA A 50 -4.512 -3.584 -3.860 1.00 10.00 C ATOM 798 O ALA A 50 -5.340 -4.463 -4.082 1.00 10.00 O ATOM 799 CB ALA A 50 -2.013 -3.779 -4.011 1.00 10.00 C ATOM 0 H ALA A 50 -2.442 -5.747 -2.724 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.154 -3.104 -2.306 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.993 -2.802 -4.494 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.100 -3.916 -3.432 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.081 -4.558 -4.770 1.00 10.00 H new ATOM 805 N GLY A 51 -4.673 -2.322 -4.263 1.00 10.00 N ATOM 806 CA GLY A 51 -5.946 -1.726 -4.616 1.00 10.00 C ATOM 807 C GLY A 51 -7.012 -2.160 -3.643 1.00 10.00 C ATOM 808 O GLY A 51 -8.121 -2.528 -4.024 1.00 10.00 O ATOM 0 H GLY A 51 -3.891 -1.673 -4.353 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.861 -0.639 -4.612 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.225 -2.020 -5.628 1.00 10.00 H new ATOM 812 N GLY A 52 -6.666 -2.058 -2.360 1.00 10.00 N ATOM 813 CA GLY A 52 -7.578 -2.401 -1.320 1.00 10.00 C ATOM 814 C GLY A 52 -6.855 -2.225 -0.005 1.00 10.00 C ATOM 815 O GLY A 52 -5.664 -1.905 0.054 1.00 10.00 O ATOM 0 H GLY A 52 -5.753 -1.738 -2.036 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.462 -1.764 -1.360 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.921 -3.429 -1.434 1.00 10.00 H new ATOM 819 N ASP A 53 -7.642 -2.381 1.040 1.00 10.00 N ATOM 820 CA ASP A 53 -7.187 -2.288 2.412 1.00 10.00 C ATOM 821 C ASP A 53 -6.373 -3.519 2.797 1.00 10.00 C ATOM 822 O ASP A 53 -6.792 -4.649 2.548 1.00 10.00 O ATOM 823 CB ASP A 53 -8.347 -2.037 3.380 1.00 10.00 C ATOM 824 CG ASP A 53 -7.806 -1.571 4.725 1.00 10.00 C ATOM 825 OD1 ASP A 53 -7.150 -2.389 5.408 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.996 -0.383 5.054 1.00 10.00 O ATOM 0 H ASP A 53 -8.639 -2.581 0.957 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.529 -1.422 2.489 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.020 -1.285 2.968 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.929 -2.949 3.508 1.00 10.00 H new ATOM 831 N ALA A 54 -5.198 -3.287 3.381 1.00 10.00 N ATOM 832 CA ALA A 54 -4.314 -4.322 3.895 1.00 10.00 C ATOM 833 C ALA A 54 -3.849 -3.968 5.309 1.00 10.00 C ATOM 834 O ALA A 54 -2.751 -4.354 5.709 1.00 10.00 O ATOM 835 CB ALA A 54 -3.139 -4.471 2.929 1.00 10.00 C ATOM 0 H ALA A 54 -4.828 -2.345 3.511 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.838 -5.275 3.964 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.462 -5.243 3.295 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.511 -4.752 1.944 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.604 -3.524 2.858 1.00 10.00 H new ATOM 841 N THR A 55 -4.667 -3.236 6.073 1.00 10.00 N ATOM 842 CA THR A 55 -4.295 -2.759 7.397 1.00 10.00 C ATOM 843 C THR A 55 -3.991 -3.937 8.321 1.00 10.00 C ATOM 844 O THR A 55 -2.925 -3.988 8.936 1.00 10.00 O ATOM 845 CB THR A 55 -5.398 -1.872 7.998 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.790 -0.865 7.097 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.867 -1.163 9.244 1.00 10.00 C ATOM 0 H THR A 55 -5.606 -2.961 5.785 1.00 10.00 H new ATOM 0 HA THR A 55 -3.395 -2.152 7.297 1.00 10.00 H new ATOM 0 HB THR A 55 -6.243 -2.520 8.230 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.281 -1.267 6.350 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.651 -0.535 9.667 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.558 -1.905 9.981 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.012 -0.543 8.973 1.00 10.00 H new ATOM 855 N GLU A 56 -4.936 -4.879 8.412 1.00 10.00 N ATOM 856 CA GLU A 56 -4.817 -6.055 9.240 1.00 10.00 C ATOM 857 C GLU A 56 -3.553 -6.786 8.823 1.00 10.00 C ATOM 858 O GLU A 56 -2.653 -6.930 9.630 1.00 10.00 O ATOM 859 CB GLU A 56 -6.068 -6.932 9.090 1.00 10.00 C ATOM 860 CG GLU A 56 -7.346 -6.170 9.473 1.00 10.00 C ATOM 861 CD GLU A 56 -8.567 -7.082 9.431 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.669 -7.843 8.445 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.372 -6.997 10.382 1.00 10.00 O ATOM 0 H GLU A 56 -5.816 -4.832 7.898 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.745 -5.790 10.295 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.147 -7.280 8.060 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.970 -7.817 9.719 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.236 -5.751 10.473 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.491 -5.332 8.791 1.00 10.00 H new ATOM 870 N ASN A 57 -3.457 -7.173 7.551 1.00 10.00 N ATOM 871 CA ASN A 57 -2.312 -7.897 7.009 1.00 10.00 C ATOM 872 C ASN A 57 -0.981 -7.226 7.395 1.00 10.00 C ATOM 873 O ASN A 57 -0.075 -7.860 7.938 1.00 10.00 O ATOM 874 CB ASN A 57 -2.498 -8.010 5.488 1.00 10.00 C ATOM 875 CG ASN A 57 -1.592 -9.074 4.878 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.468 -9.280 5.319 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.077 -9.777 3.857 1.00 10.00 N ATOM 0 H ASN A 57 -4.184 -6.989 6.860 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.264 -8.898 7.438 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.538 -8.250 5.267 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.288 -7.046 5.025 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.509 -10.506 3.424 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.016 -9.587 3.507 1.00 10.00 H new ATOM 884 N PHE A 58 -0.883 -5.916 7.149 1.00 10.00 N ATOM 885 CA PHE A 58 0.283 -5.117 7.498 1.00 10.00 C ATOM 886 C PHE A 58 0.642 -5.262 8.982 1.00 10.00 C ATOM 887 O PHE A 58 1.796 -5.550 9.309 1.00 10.00 O ATOM 888 CB PHE A 58 0.032 -3.651 7.121 1.00 10.00 C ATOM 889 CG PHE A 58 1.173 -2.699 7.438 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.386 -2.792 6.730 1.00 10.00 C ATOM 891 CD2 PHE A 58 0.981 -1.643 8.348 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.416 -1.861 6.962 1.00 10.00 C ATOM 893 CE2 PHE A 58 1.990 -0.681 8.535 1.00 10.00 C ATOM 894 CZ PHE A 58 3.231 -0.818 7.888 1.00 10.00 C ATOM 0 H PHE A 58 -1.623 -5.379 6.696 1.00 10.00 H new ATOM 0 HA PHE A 58 1.140 -5.483 6.932 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.179 -3.598 6.053 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.863 -3.307 7.640 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.527 -3.581 6.006 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.058 -1.571 8.904 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.351 -1.948 6.428 1.00 10.00 H new ATOM 0 HE2 PHE A 58 1.811 0.167 9.179 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.035 -0.129 8.100 1.00 10.00 H new ATOM 904 N GLU A 59 -0.322 -5.045 9.879 1.00 10.00 N ATOM 905 CA GLU A 59 -0.044 -5.076 11.309 1.00 10.00 C ATOM 906 C GLU A 59 0.304 -6.494 11.757 1.00 10.00 C ATOM 907 O GLU A 59 1.341 -6.724 12.368 1.00 10.00 O ATOM 908 CB GLU A 59 -1.237 -4.522 12.098 1.00 10.00 C ATOM 909 CG GLU A 59 -0.805 -4.080 13.505 1.00 10.00 C ATOM 910 CD GLU A 59 0.111 -2.869 13.438 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.415 -1.752 13.260 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.352 -3.028 13.437 1.00 10.00 O ATOM 0 H GLU A 59 -1.294 -4.848 9.639 1.00 10.00 H new ATOM 0 HA GLU A 59 0.818 -4.440 11.511 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.671 -3.677 11.564 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.013 -5.283 12.174 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.686 -3.842 14.102 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -0.293 -4.901 14.007 1.00 10.00 H new ATOM 919 N ASP A 60 -0.588 -7.424 11.427 1.00 10.00 N ATOM 920 CA ASP A 60 -0.522 -8.864 11.630 1.00 10.00 C ATOM 921 C ASP A 60 0.887 -9.411 11.381 1.00 10.00 C ATOM 922 O ASP A 60 1.475 -10.042 12.257 1.00 10.00 O ATOM 923 CB ASP A 60 -1.552 -9.533 10.707 1.00 10.00 C ATOM 924 CG ASP A 60 -1.620 -11.029 10.973 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.333 -11.401 11.928 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.956 -11.768 10.216 1.00 10.00 O ATOM 0 H ASP A 60 -1.459 -7.160 10.966 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.757 -9.091 12.670 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.533 -9.086 10.864 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.284 -9.356 9.665 1.00 10.00 H new ATOM 931 N HIS A 61 1.453 -9.116 10.203 1.00 10.00 N ATOM 932 CA HIS A 61 2.832 -9.468 9.866 1.00 10.00 C ATOM 933 C HIS A 61 3.836 -9.002 10.936 1.00 10.00 C ATOM 934 O HIS A 61 4.824 -9.685 11.197 1.00 10.00 O ATOM 935 CB HIS A 61 3.178 -8.876 8.490 1.00 10.00 C ATOM 936 CG HIS A 61 4.661 -8.766 8.225 1.00 10.00 C ATOM 937 ND1 HIS A 61 5.482 -7.765 8.694 1.00 10.00 N ATOM 938 CD2 HIS A 61 5.459 -9.689 7.605 1.00 10.00 C ATOM 939 CE1 HIS A 61 6.741 -8.069 8.356 1.00 10.00 C ATOM 940 NE2 HIS A 61 6.779 -9.233 7.692 1.00 10.00 N ATOM 0 H HIS A 61 0.962 -8.624 9.456 1.00 10.00 H new ATOM 0 HA HIS A 61 2.909 -10.555 9.830 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.726 -9.495 7.715 1.00 10.00 H new ATOM 0 HB3 HIS A 61 2.730 -7.886 8.409 1.00 10.00 H new ATOM 0 HD1 HIS A 61 5.183 -6.937 9.209 1.00 10.00 H new ATOM 0 HD2 HIS A 61 5.130 -10.603 7.134 1.00 10.00 H new ATOM 0 HE1 HIS A 61 7.604 -7.462 8.586 1.00 10.00 H new ATOM 948 N GLY A 62 3.625 -7.811 11.500 1.00 10.00 N ATOM 949 CA GLY A 62 4.511 -7.186 12.471 1.00 10.00 C ATOM 950 C GLY A 62 5.503 -6.271 11.761 1.00 10.00 C ATOM 951 O GLY A 62 6.706 -6.354 11.990 1.00 10.00 O ATOM 0 H GLY A 62 2.807 -7.242 11.284 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.927 -6.613 13.192 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.047 -7.952 13.032 1.00 10.00 H new ATOM 955 N HIS A 63 5.002 -5.408 10.869 1.00 10.00 N ATOM 956 CA HIS A 63 5.854 -4.535 10.072 1.00 10.00 C ATOM 957 C HIS A 63 6.590 -3.507 10.945 1.00 10.00 C ATOM 958 O HIS A 63 5.953 -2.775 11.716 1.00 10.00 O ATOM 959 CB HIS A 63 5.035 -3.879 8.960 1.00 10.00 C ATOM 960 CG HIS A 63 4.901 -4.763 7.745 1.00 10.00 C ATOM 961 ND1 HIS A 63 3.868 -5.623 7.470 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.750 -4.791 6.675 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.086 -6.149 6.251 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.214 -5.653 5.710 1.00 10.00 N ATOM 0 H HIS A 63 4.005 -5.300 10.685 1.00 10.00 H new ATOM 0 HA HIS A 63 6.630 -5.139 9.602 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.043 -3.635 9.339 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.506 -2.939 8.672 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.077 -5.827 8.080 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.676 -4.242 6.588 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.443 -6.872 5.771 1.00 10.00 H new ATOM 972 N SER A 64 7.923 -3.486 10.806 1.00 10.00 N ATOM 973 CA SER A 64 8.881 -2.815 11.679 1.00 10.00 C ATOM 974 C SER A 64 8.838 -1.290 11.558 1.00 10.00 C ATOM 975 O SER A 64 8.117 -0.725 10.737 1.00 10.00 O ATOM 976 CB SER A 64 10.297 -3.315 11.340 1.00 10.00 C ATOM 977 OG SER A 64 11.260 -2.820 12.257 1.00 10.00 O ATOM 0 H SER A 64 8.383 -3.967 10.033 1.00 10.00 H new ATOM 0 HA SER A 64 8.611 -3.058 12.707 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.311 -4.405 11.350 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.562 -3.002 10.330 1.00 10.00 H new ATOM 0 HG SER A 64 11.783 -2.109 11.830 1.00 10.00 H new ATOM 983 N THR A 65 9.687 -0.630 12.354 1.00 10.00 N ATOM 984 CA THR A 65 9.939 0.801 12.277 1.00 10.00 C ATOM 985 C THR A 65 10.380 1.191 10.876 1.00 10.00 C ATOM 986 O THR A 65 9.911 2.195 10.360 1.00 10.00 O ATOM 987 CB THR A 65 10.931 1.278 13.343 1.00 10.00 C ATOM 988 OG1 THR A 65 11.230 2.651 13.187 1.00 10.00 O ATOM 989 CG2 THR A 65 12.249 0.496 13.411 1.00 10.00 C ATOM 0 H THR A 65 10.227 -1.093 13.085 1.00 10.00 H new ATOM 0 HA THR A 65 9.000 1.312 12.490 1.00 10.00 H new ATOM 0 HB THR A 65 10.409 1.093 14.282 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.864 2.929 13.881 1.00 10.00 H new ATOM 0 HG21 THR A 65 12.879 0.913 14.197 1.00 10.00 H new ATOM 0 HG22 THR A 65 12.040 -0.551 13.631 1.00 10.00 H new ATOM 0 HG23 THR A 65 12.766 0.570 12.454 1.00 10.00 H new ATOM 997 N ASP A 66 11.244 0.392 10.260 1.00 10.00 N ATOM 998 CA ASP A 66 11.717 0.553 8.896 1.00 10.00 C ATOM 999 C ASP A 66 10.523 0.765 7.962 1.00 10.00 C ATOM 1000 O ASP A 66 10.397 1.780 7.275 1.00 10.00 O ATOM 1001 CB ASP A 66 12.515 -0.710 8.505 1.00 10.00 C ATOM 1002 CG ASP A 66 13.479 -1.176 9.594 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.957 -1.582 10.663 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.702 -1.091 9.358 1.00 10.00 O ATOM 0 H ASP A 66 11.650 -0.422 10.722 1.00 10.00 H new ATOM 0 HA ASP A 66 12.366 1.424 8.813 1.00 10.00 H new ATOM 0 HB2 ASP A 66 11.818 -1.516 8.277 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.077 -0.508 7.593 1.00 10.00 H new ATOM 1009 N ALA A 67 9.609 -0.206 7.986 1.00 10.00 N ATOM 1010 CA ALA A 67 8.412 -0.258 7.180 1.00 10.00 C ATOM 1011 C ALA A 67 7.508 0.912 7.544 1.00 10.00 C ATOM 1012 O ALA A 67 6.897 1.527 6.684 1.00 10.00 O ATOM 1013 CB ALA A 67 7.704 -1.593 7.416 1.00 10.00 C ATOM 0 H ALA A 67 9.698 -1.013 8.603 1.00 10.00 H new ATOM 0 HA ALA A 67 8.665 -0.182 6.123 1.00 10.00 H new ATOM 0 HB1 ALA A 67 6.799 -1.637 6.810 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.368 -2.411 7.137 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.439 -1.683 8.470 1.00 10.00 H new ATOM 1019 N ARG A 68 7.412 1.222 8.833 1.00 10.00 N ATOM 1020 CA ARG A 68 6.657 2.356 9.332 1.00 10.00 C ATOM 1021 C ARG A 68 7.171 3.669 8.728 1.00 10.00 C ATOM 1022 O ARG A 68 6.400 4.364 8.067 1.00 10.00 O ATOM 1023 CB ARG A 68 6.693 2.336 10.863 1.00 10.00 C ATOM 1024 CG ARG A 68 5.340 1.964 11.469 1.00 10.00 C ATOM 1025 CD ARG A 68 4.994 0.481 11.254 1.00 10.00 C ATOM 1026 NE ARG A 68 3.537 0.319 11.280 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.820 -0.667 11.840 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.385 -1.800 12.276 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.505 -0.472 11.962 1.00 10.00 N ATOM 0 H ARG A 68 7.866 0.681 9.569 1.00 10.00 H new ATOM 0 HA ARG A 68 5.615 2.283 9.021 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.447 1.623 11.197 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.996 3.317 11.230 1.00 10.00 H new ATOM 0 HG2 ARG A 68 5.350 2.182 12.537 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.562 2.585 11.025 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.394 0.136 10.300 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.454 -0.129 12.032 1.00 10.00 H new ATOM 0 HE ARG A 68 3.000 1.049 10.813 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.392 -1.935 12.187 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.808 -2.528 12.697 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.086 0.399 11.635 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.919 -1.194 12.382 1.00 10.00 H new ATOM 1043 N GLU A 69 8.452 4.015 8.916 1.00 10.00 N ATOM 1044 CA GLU A 69 9.078 5.149 8.240 1.00 10.00 C ATOM 1045 C GLU A 69 8.695 5.145 6.750 1.00 10.00 C ATOM 1046 O GLU A 69 8.069 6.086 6.248 1.00 10.00 O ATOM 1047 CB GLU A 69 10.603 5.112 8.451 1.00 10.00 C ATOM 1048 CG GLU A 69 11.220 6.518 8.473 1.00 10.00 C ATOM 1049 CD GLU A 69 10.823 7.346 7.260 1.00 10.00 C ATOM 1050 OE1 GLU A 69 11.309 7.025 6.158 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.988 8.255 7.469 1.00 10.00 O ATOM 0 H GLU A 69 9.080 3.513 9.543 1.00 10.00 H new ATOM 0 HA GLU A 69 8.714 6.083 8.669 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.826 4.605 9.390 1.00 10.00 H new ATOM 0 HB3 GLU A 69 11.064 4.527 7.655 1.00 10.00 H new ATOM 0 HG2 GLU A 69 10.907 7.035 9.380 1.00 10.00 H new ATOM 0 HG3 GLU A 69 12.306 6.434 8.512 1.00 10.00 H new ATOM 1058 N LEU A 70 8.987 4.027 6.078 1.00 10.00 N ATOM 1059 CA LEU A 70 8.659 3.860 4.673 1.00 10.00 C ATOM 1060 C LEU A 70 7.196 4.204 4.385 1.00 10.00 C ATOM 1061 O LEU A 70 6.884 4.898 3.420 1.00 10.00 O ATOM 1062 CB LEU A 70 8.983 2.429 4.202 1.00 10.00 C ATOM 1063 CG LEU A 70 10.300 2.270 3.424 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.548 3.425 2.447 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.493 2.111 4.366 1.00 10.00 C ATOM 0 H LEU A 70 9.454 3.222 6.496 1.00 10.00 H new ATOM 0 HA LEU A 70 9.277 4.560 4.110 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.016 1.777 5.075 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.165 2.078 3.573 1.00 10.00 H new ATOM 0 HG LEU A 70 10.196 1.358 2.836 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.491 3.263 1.924 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.734 3.470 1.723 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.596 4.364 2.998 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.406 2.001 3.781 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.574 2.992 5.003 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.351 1.226 4.987 1.00 10.00 H new ATOM 1077 N SER A 71 6.284 3.753 5.243 1.00 10.00 N ATOM 1078 CA SER A 71 4.868 3.963 5.040 1.00 10.00 C ATOM 1079 C SER A 71 4.589 5.462 5.038 1.00 10.00 C ATOM 1080 O SER A 71 3.804 5.940 4.221 1.00 10.00 O ATOM 1081 CB SER A 71 4.048 3.156 6.064 1.00 10.00 C ATOM 1082 OG SER A 71 3.841 3.849 7.278 1.00 10.00 O ATOM 0 H SER A 71 6.512 3.235 6.092 1.00 10.00 H new ATOM 0 HA SER A 71 4.549 3.584 4.069 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.082 2.902 5.628 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.560 2.217 6.272 1.00 10.00 H new ATOM 0 HG SER A 71 4.707 4.064 7.684 1.00 10.00 H new ATOM 1088 N LYS A 72 5.283 6.218 5.896 1.00 10.00 N ATOM 1089 CA LYS A 72 5.093 7.657 5.930 1.00 10.00 C ATOM 1090 C LYS A 72 5.426 8.242 4.562 1.00 10.00 C ATOM 1091 O LYS A 72 4.618 8.965 3.986 1.00 10.00 O ATOM 1092 CB LYS A 72 5.908 8.337 7.038 1.00 10.00 C ATOM 1093 CG LYS A 72 5.786 7.598 8.374 1.00 10.00 C ATOM 1094 CD LYS A 72 5.970 8.530 9.582 1.00 10.00 C ATOM 1095 CE LYS A 72 7.192 9.461 9.521 1.00 10.00 C ATOM 1096 NZ LYS A 72 8.472 8.738 9.390 1.00 10.00 N ATOM 0 H LYS A 72 5.967 5.858 6.561 1.00 10.00 H new ATOM 0 HA LYS A 72 4.047 7.852 6.166 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.956 8.381 6.742 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.568 9.365 7.160 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.808 7.121 8.433 1.00 10.00 H new ATOM 0 HG3 LYS A 72 6.531 6.804 8.415 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.074 9.142 9.686 1.00 10.00 H new ATOM 0 HD3 LYS A 72 6.045 7.919 10.482 1.00 10.00 H new ATOM 0 HE2 LYS A 72 7.079 10.142 8.677 1.00 10.00 H new ATOM 0 HE3 LYS A 72 7.219 10.073 10.423 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 9.235 9.304 9.813 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 8.406 7.823 9.881 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 8.678 8.577 8.383 1.00 10.00 H new ATOM 1110 N THR A 73 6.597 7.894 4.021 1.00 10.00 N ATOM 1111 CA THR A 73 6.990 8.438 2.724 1.00 10.00 C ATOM 1112 C THR A 73 6.156 7.864 1.573 1.00 10.00 C ATOM 1113 O THR A 73 6.157 8.448 0.490 1.00 10.00 O ATOM 1114 CB THR A 73 8.506 8.355 2.476 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.839 9.240 1.423 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.015 6.965 2.106 1.00 10.00 C ATOM 0 H THR A 73 7.270 7.257 4.448 1.00 10.00 H new ATOM 0 HA THR A 73 6.761 9.503 2.756 1.00 10.00 H new ATOM 0 HB THR A 73 8.982 8.620 3.420 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.047 9.402 0.869 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.093 7.002 1.950 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.789 6.268 2.913 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.527 6.631 1.190 1.00 10.00 H new ATOM 1124 N PHE A 74 5.465 6.737 1.780 1.00 10.00 N ATOM 1125 CA PHE A 74 4.571 6.151 0.786 1.00 10.00 C ATOM 1126 C PHE A 74 3.184 6.786 0.810 1.00 10.00 C ATOM 1127 O PHE A 74 2.410 6.534 -0.115 1.00 10.00 O ATOM 1128 CB PHE A 74 4.412 4.649 1.033 1.00 10.00 C ATOM 1129 CG PHE A 74 5.628 3.760 0.857 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.805 4.216 0.230 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.523 2.413 1.243 1.00 10.00 C ATOM 1132 CE1 PHE A 74 7.896 3.347 0.073 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.597 1.537 1.038 1.00 10.00 C ATOM 1134 CZ PHE A 74 7.808 2.026 0.538 1.00 10.00 C ATOM 0 H PHE A 74 5.514 6.206 2.649 1.00 10.00 H new ATOM 0 HA PHE A 74 5.025 6.337 -0.187 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.047 4.516 2.052 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.632 4.283 0.365 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.867 5.233 -0.129 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.613 2.052 1.699 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.801 3.694 -0.404 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.490 0.487 1.266 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.677 1.386 0.510 1.00 10.00 H new ATOM 1144 N ILE A 75 2.831 7.546 1.856 1.00 10.00 N ATOM 1145 CA ILE A 75 1.521 8.200 1.887 1.00 10.00 C ATOM 1146 C ILE A 75 1.332 9.076 0.651 1.00 10.00 C ATOM 1147 O ILE A 75 2.143 9.960 0.382 1.00 10.00 O ATOM 1148 CB ILE A 75 1.285 8.993 3.187 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.895 7.979 4.266 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.167 10.041 3.051 1.00 10.00 C ATOM 1151 CD1 ILE A 75 1.050 8.525 5.688 1.00 10.00 C ATOM 0 H ILE A 75 3.419 7.719 2.671 1.00 10.00 H new ATOM 0 HA ILE A 75 0.765 7.415 1.871 1.00 10.00 H new ATOM 0 HB ILE A 75 2.195 9.538 3.437 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.140 7.673 4.112 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.511 7.086 4.157 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.046 10.568 3.997 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.430 10.754 2.269 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.767 9.544 2.790 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.758 7.759 6.406 1.00 10.00 H new ATOM 0 HD12 ILE A 75 2.089 8.805 5.859 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.413 9.401 5.813 1.00 10.00 H new ATOM 1163 N ILE A 76 0.235 8.845 -0.073 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.101 9.593 -1.280 1.00 10.00 C ATOM 1165 C ILE A 76 -1.492 10.223 -1.227 1.00 10.00 C ATOM 1166 O ILE A 76 -1.808 11.005 -2.123 1.00 10.00 O ATOM 1167 CB ILE A 76 0.015 8.687 -2.516 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.657 7.332 -2.244 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.484 8.521 -2.928 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.165 6.687 -3.527 1.00 10.00 C ATOM 0 H ILE A 76 -0.449 8.127 0.166 1.00 10.00 H new ATOM 0 HA ILE A 76 0.616 10.411 -1.348 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.506 9.156 -3.351 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.054 6.664 -1.758 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.488 7.470 -1.552 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.545 7.876 -3.805 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.908 9.497 -3.165 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.043 8.072 -2.107 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.633 5.731 -3.293 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.896 7.343 -3.999 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.330 6.525 -4.208 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.332 9.886 -0.245 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.731 10.319 -0.219 1.00 10.00 C ATOM 1184 C GLY A 77 -4.492 9.428 0.751 1.00 10.00 C ATOM 1185 O GLY A 77 -3.831 8.733 1.527 1.00 10.00 O ATOM 0 H GLY A 77 -2.063 9.308 0.551 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.799 11.362 0.091 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.167 10.253 -1.216 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.835 9.415 0.730 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.592 8.639 1.686 1.00 10.00 C ATOM 1191 C GLU A 78 -7.745 7.933 0.998 1.00 10.00 C ATOM 1192 O GLU A 78 -8.148 8.354 -0.073 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.198 9.623 2.691 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.210 10.632 3.312 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.638 11.766 2.446 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.158 12.044 1.337 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.653 12.362 2.926 1.00 10.00 O ATOM 0 H GLU A 78 -6.402 9.934 0.060 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.941 7.904 2.159 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.993 10.179 2.194 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.662 9.053 3.496 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.708 11.093 4.165 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.366 10.064 3.704 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.322 6.925 1.643 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.595 6.357 1.233 1.00 10.00 C ATOM 1206 C LEU A 79 -10.689 7.415 1.318 1.00 10.00 C ATOM 1207 O LEU A 79 -10.847 8.045 2.363 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.922 5.204 2.181 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.280 4.561 1.871 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.239 3.771 0.560 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.666 3.677 3.052 1.00 10.00 C ATOM 0 H LEU A 79 -7.917 6.480 2.466 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.535 6.002 0.204 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.140 4.447 2.112 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.922 5.570 3.208 1.00 10.00 H new ATOM 0 HG LEU A 79 -12.034 5.336 1.733 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.217 3.329 0.371 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.979 4.440 -0.260 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.492 2.981 0.635 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.630 3.208 2.855 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.909 2.906 3.192 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.736 4.285 3.954 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.471 7.583 0.249 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.583 8.510 0.242 1.00 10.00 C ATOM 1225 C HIS A 80 -13.759 8.010 1.070 1.00 10.00 C ATOM 1226 O HIS A 80 -14.421 7.079 0.639 1.00 10.00 O ATOM 1227 CB HIS A 80 -13.034 8.825 -1.182 1.00 10.00 C ATOM 1228 CG HIS A 80 -14.016 9.959 -1.169 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.375 9.852 -0.975 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.648 11.214 -0.779 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.806 11.024 -0.476 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.786 11.884 -0.327 1.00 10.00 N ATOM 0 H HIS A 80 -11.344 7.078 -0.628 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.222 9.428 0.705 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.172 9.086 -1.796 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.490 7.943 -1.632 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.648 11.619 -0.814 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.834 11.244 -0.229 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.833 12.834 0.042 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.100 8.639 2.203 1.00 10.00 N ATOM 1241 CA PRO A 81 -15.027 8.071 3.166 1.00 10.00 C ATOM 1242 C PRO A 81 -16.398 7.622 2.715 1.00 10.00 C ATOM 1243 O PRO A 81 -17.057 6.902 3.463 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.296 9.199 4.147 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.977 9.950 4.198 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.509 9.859 2.747 1.00 10.00 C ATOM 0 HA PRO A 81 -14.541 7.158 3.510 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.110 9.840 3.808 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.579 8.818 5.128 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.107 10.983 4.522 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.269 9.487 4.886 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -13.829 10.733 2.179 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.421 9.823 2.691 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.851 8.071 1.555 1.00 10.00 N ATOM 1255 CA ASP A 82 -18.076 7.548 0.975 1.00 10.00 C ATOM 1256 C ASP A 82 -18.009 6.013 0.961 1.00 10.00 C ATOM 1257 O ASP A 82 -18.991 5.328 1.228 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.258 8.122 -0.432 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.598 7.707 -1.020 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.616 8.212 -0.502 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.568 6.928 -1.994 1.00 10.00 O ATOM 0 H ASP A 82 -16.391 8.793 1.000 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.940 7.845 1.570 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.193 9.210 -0.396 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.451 7.776 -1.077 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.787 5.513 0.743 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.358 4.137 0.862 1.00 10.00 C ATOM 1268 C ASP A 83 -16.948 3.339 2.037 1.00 10.00 C ATOM 1269 O ASP A 83 -17.651 2.352 1.823 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.830 4.173 0.972 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.309 2.751 0.807 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.342 2.007 1.809 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.911 2.430 -0.331 1.00 10.00 O ATOM 0 H ASP A 83 -16.019 6.120 0.456 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.727 3.606 -0.015 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.409 4.824 0.206 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.528 4.579 1.937 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.554 3.710 3.261 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.504 2.778 4.389 1.00 10.00 C ATOM 1280 C ARG A 84 -17.831 2.698 5.166 1.00 10.00 C ATOM 1281 O ARG A 84 -17.803 2.329 6.361 1.00 10.00 O ATOM 1282 CB ARG A 84 -15.241 3.009 5.264 1.00 10.00 C ATOM 1283 CG ARG A 84 -14.540 4.386 5.327 1.00 10.00 C ATOM 1284 CD ARG A 84 -15.100 5.417 6.325 1.00 10.00 C ATOM 1285 NE ARG A 84 -16.377 5.989 5.874 1.00 10.00 N ATOM 1286 CZ ARG A 84 -17.584 5.484 6.148 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -17.774 4.754 7.250 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -18.558 5.647 5.253 1.00 10.00 N ATOM 1289 OXT ARG A 84 -18.866 3.177 4.651 1.00 10.00 O ATOM 0 H ARG A 84 -16.263 4.659 3.495 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.390 1.773 3.982 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.512 2.745 6.286 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.493 2.288 4.936 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.490 4.220 5.567 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.573 4.828 4.331 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -15.239 4.942 7.296 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.374 6.218 6.463 1.00 10.00 H new ATOM 0 HE ARG A 84 -16.339 6.837 5.308 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -16.996 4.580 7.887 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -18.697 4.371 7.455 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -18.373 6.147 4.384 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -19.488 5.271 5.437 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 5.892 -5.839 3.850 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.470 -7.862 5.069 1.00 10.00 C HETATM 1306 CHB HEM A 201 7.880 -3.043 4.279 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.143 -3.833 3.199 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.979 -8.687 3.267 1.00 10.00 C HETATM 1309 NA HEM A 201 7.844 -5.517 4.494 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.691 -6.481 4.969 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.891 -5.807 5.420 1.00 10.00 C HETATM 1312 C3A HEM A 201 9.766 -4.474 5.094 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.434 -4.287 4.576 1.00 10.00 C HETATM 1314 CMA HEM A 201 10.784 -3.385 5.354 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.971 -6.404 6.295 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.520 -6.532 7.755 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.142 -5.178 8.351 1.00 10.00 C HETATM 1318 O1A HEM A 201 11.039 -4.311 8.383 1.00 10.00 O HETATM 1319 O2A HEM A 201 8.974 -5.020 8.771 1.00 10.00 O HETATM 1320 NB HEM A 201 5.592 -3.814 3.664 1.00 10.00 N HETATM 1321 C1B HEM A 201 6.550 -2.863 3.896 1.00 10.00 C HETATM 1322 C2B HEM A 201 5.940 -1.569 3.722 1.00 10.00 C HETATM 1323 C3B HEM A 201 4.601 -1.794 3.489 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.381 -3.219 3.414 1.00 10.00 C HETATM 1325 CMB HEM A 201 6.659 -0.257 3.878 1.00 10.00 C HETATM 1326 CAB HEM A 201 3.477 -0.775 3.576 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.611 0.380 4.261 1.00 10.00 C HETATM 1328 NC HEM A 201 3.927 -6.190 3.311 1.00 10.00 N HETATM 1329 C1C HEM A 201 2.977 -5.213 3.146 1.00 10.00 C HETATM 1330 C2C HEM A 201 1.708 -5.864 2.933 1.00 10.00 C HETATM 1331 C3C HEM A 201 1.985 -7.209 2.849 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.374 -7.431 3.146 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.355 -5.198 2.852 1.00 10.00 C HETATM 1334 CAC HEM A 201 0.959 -8.310 2.727 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.305 -8.473 1.561 1.00 10.00 C HETATM 1336 ND HEM A 201 6.177 -7.914 4.114 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.271 -8.864 3.755 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.867 -10.154 4.002 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.117 -9.938 4.537 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.307 -8.501 4.611 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.213 -11.492 3.749 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.153 -11.019 4.784 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.895 -11.891 6.017 1.00 10.00 C HETATM 1344 CGD HEM A 201 8.826 -13.095 5.995 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.018 -12.897 6.317 1.00 10.00 O HETATM 1346 O2D HEM A 201 8.336 -14.186 5.632 1.00 10.00 O HETATM 0 HMA1 HEM A 201 10.626 -2.565 4.653 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 11.789 -3.787 5.222 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 10.671 -3.018 6.374 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 6.205 0.487 3.223 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 7.708 -0.383 3.612 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 6.585 0.078 4.913 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -0.296 -5.776 2.197 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.469 -4.190 2.453 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -0.085 -5.147 3.848 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 5.977 -12.230 3.506 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 4.516 -11.404 2.916 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 4.674 -11.808 4.642 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 2.784 1.088 4.302 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.547 0.605 4.773 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.438 -9.264 1.459 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 0.519 -7.814 0.719 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.320 -6.979 8.345 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.666 -7.207 7.814 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.864 -5.781 6.244 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.246 -7.387 5.913 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 6.857 -12.222 6.030 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.056 -11.311 6.925 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.130 -10.548 4.888 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 8.202 -11.663 3.906 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.239 -8.469 5.524 1.00 10.00 H new HETATM 0 HHB HEM A 201 8.514 -2.171 4.349 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.274 -3.205 3.068 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.418 -9.560 2.968 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.534 -0.983 3.070 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.750 -8.965 3.573 1.00 10.00 H new