USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 45 HIS : no HD1:sc= -0.101 K(o=-0.83,f=-1.8) USER MOD Set 1.2: A 201 HEM CMD :methyl 150:sc= -0.731 (180deg=-0.718) USER MOD Set 2.1: A 15 HIS : no HD1:sc= 0.649 K(o=1.6,f=-6.9!) USER MOD Set 2.2: A 20 SER OG : rot 130:sc= 0.916 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 180:sc= -0.0101 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 13 GLN : amide:sc= 0.536 K(o=0.54,f=-0.098) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 2.53 (180deg=2.2) USER MOD Single : A 16 ASN : amide:sc= 0.905 K(o=0.9,f=-1.5) USER MOD Single : A 17 ASN : amide:sc= -0.0727 K(o=-0.073,f=-6.9!) 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 -140:sc= -0.384 USER MOD Single : A 26 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.44) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 1.15 (180deg=0.88) USER MOD Single : A 30 TYR OH : rot 24:sc= 1 USER MOD Single : A 33 THR OG1 : rot 96:sc= 1.36 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.856 K(o=0.86,f=-3.3!) USER MOD Single : A 55 THR OG1 : rot 35:sc= 1.32 USER MOD Single : A 57 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.64) USER MOD Single : A 64 SER OG : rot 123:sc= 1.26 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0706 USER MOD Single : A 71 SER OG : rot -79:sc= 1.25 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.962 (180deg=-1.99!) USER MOD Single : A 73 THR OG1 : rot -41:sc= 0.142 USER MOD Single : A 80 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-6.3!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0415 (180deg=-0.578) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -2.1 (180deg=-2.1) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.0272 (180deg=-1.71) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.670 -1.816 -20.213 1.00 0.00 N ATOM 2 CA ALA A 3 0.779 -1.741 -19.031 1.00 0.00 C ATOM 3 C ALA A 3 1.602 -1.497 -17.760 1.00 0.00 C ATOM 4 O ALA A 3 2.823 -1.412 -17.858 1.00 0.00 O ATOM 5 CB ALA A 3 -0.063 -3.018 -18.918 1.00 0.00 C ATOM 0 HA ALA A 3 0.096 -0.901 -19.153 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.713 -2.949 -18.046 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.671 -3.133 -19.815 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.596 -3.880 -18.813 1.00 0.00 H new ATOM 13 N VAL A 4 0.957 -1.391 -16.594 1.00 0.00 N ATOM 14 CA VAL A 4 1.657 -1.334 -15.309 1.00 0.00 C ATOM 15 C VAL A 4 2.412 -2.642 -15.024 1.00 0.00 C ATOM 16 O VAL A 4 2.137 -3.676 -15.629 1.00 0.00 O ATOM 17 CB VAL A 4 0.646 -1.002 -14.197 1.00 0.00 C ATOM 18 CG1 VAL A 4 -0.335 -2.148 -13.948 1.00 0.00 C ATOM 19 CG2 VAL A 4 1.294 -0.592 -12.871 1.00 0.00 C ATOM 0 H VAL A 4 -0.059 -1.343 -16.515 1.00 0.00 H new ATOM 0 HA VAL A 4 2.409 -0.546 -15.345 1.00 0.00 H new ATOM 0 HB VAL A 4 0.102 -0.137 -14.577 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.029 -1.867 -13.155 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.892 -2.355 -14.862 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.216 -3.040 -13.649 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.517 -0.374 -12.138 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.920 -1.406 -12.505 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.907 0.296 -13.025 1.00 0.00 H new ATOM 29 N LYS A 5 3.354 -2.597 -14.080 1.00 0.00 N ATOM 30 CA LYS A 5 4.113 -3.764 -13.642 1.00 0.00 C ATOM 31 C LYS A 5 3.264 -4.842 -12.981 1.00 0.00 C ATOM 32 O LYS A 5 3.513 -6.018 -13.231 1.00 0.00 O ATOM 33 CB LYS A 5 5.273 -3.290 -12.756 1.00 0.00 C ATOM 34 CG LYS A 5 5.996 -4.467 -12.090 1.00 0.00 C ATOM 35 CD LYS A 5 7.416 -4.096 -11.646 1.00 0.00 C ATOM 36 CE LYS A 5 8.412 -4.130 -12.812 1.00 0.00 C ATOM 37 NZ LYS A 5 9.781 -3.813 -12.353 1.00 0.00 N ATOM 0 H LYS A 5 3.612 -1.738 -13.594 1.00 0.00 H new ATOM 0 HA LYS A 5 4.513 -4.262 -14.526 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.982 -2.721 -13.358 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.893 -2.615 -11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.422 -4.802 -11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.042 -5.304 -12.786 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.409 -3.099 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.744 -4.786 -10.869 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.400 -5.116 -13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.107 -3.415 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.434 -3.843 -13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.795 -2.862 -11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.079 -4.511 -11.641 1.00 0.00 H new ATOM 47 N TYR A 6 2.301 -4.436 -12.148 1.00 0.00 N ATOM 48 CA TYR A 6 1.544 -5.330 -11.268 1.00 0.00 C ATOM 49 C TYR A 6 2.428 -6.026 -10.225 1.00 0.00 C ATOM 50 O TYR A 6 3.617 -6.257 -10.437 1.00 0.00 O ATOM 51 CB TYR A 6 0.781 -6.389 -12.066 1.00 0.00 C ATOM 52 CG TYR A 6 -0.092 -5.875 -13.200 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.330 -5.267 -12.930 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.304 -6.070 -14.538 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.173 -4.873 -13.981 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.541 -5.680 -15.591 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.778 -5.082 -15.310 1.00 0.00 C ATOM 58 OH TYR A 6 -2.602 -4.716 -16.328 1.00 0.00 O ATOM 0 H TYR A 6 2.021 -3.459 -12.065 1.00 0.00 H new ATOM 0 HA TYR A 6 0.836 -4.691 -10.741 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.503 -7.092 -12.481 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.151 -6.950 -11.376 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.635 -5.102 -11.907 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.261 -6.521 -14.755 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.125 -4.410 -13.766 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.238 -5.841 -16.615 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.177 -4.929 -17.185 1.00 0.00 H new ATOM 67 N TYR A 7 1.833 -6.388 -9.091 1.00 0.00 N ATOM 68 CA TYR A 7 2.473 -7.242 -8.107 1.00 0.00 C ATOM 69 C TYR A 7 1.416 -8.168 -7.519 1.00 0.00 C ATOM 70 O TYR A 7 0.418 -7.704 -6.984 1.00 0.00 O ATOM 71 CB TYR A 7 3.154 -6.401 -7.031 1.00 0.00 C ATOM 72 CG TYR A 7 4.232 -5.479 -7.554 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.920 -4.174 -7.982 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.543 -5.964 -7.697 1.00 0.00 C ATOM 75 CE1 TYR A 7 4.937 -3.343 -8.486 1.00 0.00 C ATOM 76 CE2 TYR A 7 6.577 -5.082 -8.045 1.00 0.00 C ATOM 77 CZ TYR A 7 6.273 -3.760 -8.402 1.00 0.00 C ATOM 78 OH TYR A 7 7.281 -2.889 -8.679 1.00 0.00 O ATOM 0 H TYR A 7 0.891 -6.094 -8.833 1.00 0.00 H new ATOM 0 HA TYR A 7 3.252 -7.844 -8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.398 -5.805 -6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.591 -7.067 -6.287 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.904 -3.813 -7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.754 -7.011 -7.540 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.691 -2.392 -8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.603 -5.420 -8.038 1.00 0.00 H new ATOM 0 HH TYR A 7 8.143 -3.342 -8.571 1.00 0.00 H new ATOM 87 N THR A 8 1.614 -9.476 -7.642 1.00 0.00 N ATOM 88 CA THR A 8 0.674 -10.455 -7.108 1.00 0.00 C ATOM 89 C THR A 8 0.663 -10.347 -5.596 1.00 0.00 C ATOM 90 O THR A 8 1.704 -10.167 -4.967 1.00 0.00 O ATOM 91 CB THR A 8 1.080 -11.862 -7.557 1.00 0.00 C ATOM 92 OG1 THR A 8 2.484 -12.006 -7.457 1.00 0.00 O ATOM 93 CG2 THR A 8 0.677 -12.077 -9.015 1.00 0.00 C ATOM 0 H THR A 8 2.423 -9.885 -8.110 1.00 0.00 H new ATOM 0 HA THR A 8 -0.330 -10.259 -7.484 1.00 0.00 H new ATOM 0 HB THR A 8 0.580 -12.591 -6.920 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.742 -12.907 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.968 -13.079 -9.329 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.403 -11.965 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.178 -11.340 -9.643 1.00 0.00 H new ATOM 101 N LEU A 9 -0.523 -10.456 -5.016 1.00 0.00 N ATOM 102 CA LEU A 9 -0.782 -10.345 -3.595 1.00 0.00 C ATOM 103 C LEU A 9 0.141 -11.231 -2.760 1.00 0.00 C ATOM 104 O LEU A 9 0.493 -10.853 -1.656 1.00 0.00 O ATOM 105 CB LEU A 9 -2.221 -10.745 -3.392 1.00 0.00 C ATOM 106 CG LEU A 9 -2.964 -10.072 -2.239 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.434 -10.507 -2.259 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.379 -10.324 -0.853 1.00 0.00 C ATOM 0 H LEU A 9 -1.371 -10.633 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.592 -9.324 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.765 -10.539 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.256 -11.823 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.857 -9.001 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.966 -10.028 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.888 -10.213 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.495 -11.590 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.978 -9.804 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.387 -11.394 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.354 -9.955 -0.818 1.00 0.00 H new ATOM 119 N GLU A 10 0.545 -12.401 -3.263 1.00 0.00 N ATOM 120 CA GLU A 10 1.628 -13.174 -2.635 1.00 0.00 C ATOM 121 C GLU A 10 2.805 -12.236 -2.321 1.00 0.00 C ATOM 122 O GLU A 10 3.268 -12.140 -1.185 1.00 0.00 O ATOM 123 CB GLU A 10 2.107 -14.348 -3.522 1.00 0.00 C ATOM 124 CG GLU A 10 3.602 -14.623 -3.224 1.00 0.00 C ATOM 125 CD GLU A 10 4.200 -15.955 -3.634 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.467 -16.809 -4.168 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.424 -16.057 -3.370 1.00 0.00 O ATOM 0 H GLU A 10 0.145 -12.833 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 10 1.236 -13.609 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.512 -15.239 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.971 -14.104 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.184 -13.838 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.749 -14.513 -2.150 1.00 0.00 H new ATOM 132 N GLU A 11 3.291 -11.549 -3.354 1.00 0.00 N ATOM 133 CA GLU A 11 4.385 -10.611 -3.244 1.00 0.00 C ATOM 134 C GLU A 11 4.010 -9.540 -2.254 1.00 0.00 C ATOM 135 O GLU A 11 4.678 -9.385 -1.240 1.00 0.00 O ATOM 136 CB GLU A 11 4.818 -10.067 -4.619 1.00 0.00 C ATOM 137 CG GLU A 11 6.341 -9.816 -4.657 1.00 0.00 C ATOM 138 CD GLU A 11 7.188 -11.055 -4.353 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.738 -12.177 -4.678 1.00 0.00 O ATOM 140 OE2 GLU A 11 8.253 -10.891 -3.722 1.00 0.00 O ATOM 0 H GLU A 11 2.924 -11.637 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 11 5.271 -11.119 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.543 -10.777 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.287 -9.139 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.611 -9.438 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.588 -9.035 -3.937 1.00 0.00 H new ATOM 145 N ILE A 12 2.871 -8.891 -2.485 1.00 0.00 N ATOM 146 CA ILE A 12 2.390 -7.882 -1.559 1.00 0.00 C ATOM 147 C ILE A 12 2.436 -8.358 -0.100 1.00 0.00 C ATOM 148 O ILE A 12 3.005 -7.671 0.746 1.00 0.00 O ATOM 149 CB ILE A 12 1.020 -7.316 -1.976 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.852 -7.090 -3.491 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.806 -5.961 -1.304 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.553 -6.590 -3.830 1.00 0.00 C ATOM 0 H ILE A 12 2.274 -9.047 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 12 3.085 -7.044 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 12 0.295 -8.070 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.590 -6.366 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.046 -8.021 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.163 -5.558 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.835 -6.083 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.593 -5.273 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.636 -6.441 -4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.289 -7.326 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.736 -5.645 -3.318 1.00 0.00 H new ATOM 163 N GLN A 13 1.974 -9.578 0.183 1.00 0.00 N ATOM 164 CA GLN A 13 1.990 -10.108 1.548 1.00 0.00 C ATOM 165 C GLN A 13 3.377 -10.121 2.183 1.00 0.00 C ATOM 166 O GLN A 13 3.504 -10.016 3.401 1.00 0.00 O ATOM 167 CB GLN A 13 1.436 -11.534 1.579 1.00 0.00 C ATOM 168 CG GLN A 13 -0.095 -11.557 1.654 1.00 0.00 C ATOM 169 CD GLN A 13 -0.660 -10.993 2.954 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.802 -11.707 3.938 1.00 0.00 O ATOM 171 NE2 GLN A 13 -1.010 -9.714 2.982 1.00 0.00 N ATOM 0 H GLN A 13 1.586 -10.215 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 13 1.363 -9.431 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.763 -12.069 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.848 -12.064 2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.498 -10.987 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.439 -12.584 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.885 -9.133 2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.404 -9.312 3.832 1.00 0.00 H new ATOM 178 N LYS A 14 4.415 -10.284 1.366 1.00 0.00 N ATOM 179 CA LYS A 14 5.772 -10.415 1.850 1.00 0.00 C ATOM 180 C LYS A 14 6.377 -9.035 2.198 1.00 0.00 C ATOM 181 O LYS A 14 7.395 -8.974 2.884 1.00 0.00 O ATOM 182 CB LYS A 14 6.575 -11.207 0.801 1.00 0.00 C ATOM 183 CG LYS A 14 6.200 -12.705 0.808 1.00 0.00 C ATOM 184 CD LYS A 14 6.927 -13.559 -0.256 1.00 0.00 C ATOM 185 CE LYS A 14 6.561 -13.077 -1.664 1.00 0.00 C ATOM 186 NZ LYS A 14 6.959 -13.977 -2.770 1.00 0.00 N ATOM 0 H LYS A 14 4.331 -10.328 0.350 1.00 0.00 H new ATOM 0 HA LYS A 14 5.802 -10.971 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.391 -10.790 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.641 -11.098 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.418 -13.115 1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.125 -12.797 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.005 -13.493 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.653 -14.608 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.482 -12.930 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.023 -12.103 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.807 -13.497 -3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.965 -14.223 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.386 -14.844 -2.736 1.00 0.00 H new ATOM 196 N HIS A 15 5.761 -7.922 1.763 1.00 0.00 N ATOM 197 CA HIS A 15 6.227 -6.559 2.033 1.00 0.00 C ATOM 198 C HIS A 15 5.426 -5.863 3.144 1.00 0.00 C ATOM 199 O HIS A 15 4.557 -5.035 2.875 1.00 0.00 O ATOM 200 CB HIS A 15 6.151 -5.723 0.758 1.00 0.00 C ATOM 201 CG HIS A 15 7.108 -6.138 -0.327 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.341 -5.589 -0.598 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.820 -7.012 -1.335 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.788 -6.139 -1.738 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.906 -7.027 -2.215 1.00 0.00 N ATOM 0 H HIS A 15 4.909 -7.950 1.203 1.00 0.00 H new ATOM 0 HA HIS A 15 7.258 -6.641 2.377 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.135 -5.775 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.342 -4.680 1.012 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.913 -7.590 -1.435 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.731 -5.898 -2.207 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.007 -7.600 -3.053 1.00 0.00 H new ATOM 212 N ASN A 16 5.770 -6.147 4.398 1.00 0.00 N ATOM 213 CA ASN A 16 5.156 -5.514 5.571 1.00 0.00 C ATOM 214 C ASN A 16 5.994 -5.642 6.853 1.00 0.00 C ATOM 215 O ASN A 16 5.452 -5.794 7.947 1.00 0.00 O ATOM 216 CB ASN A 16 3.713 -6.015 5.738 1.00 0.00 C ATOM 217 CG ASN A 16 3.586 -7.529 5.801 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.561 -8.252 5.971 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.369 -8.024 5.636 1.00 0.00 N ATOM 0 H ASN A 16 6.490 -6.830 4.635 1.00 0.00 H new ATOM 0 HA ASN A 16 5.125 -4.440 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.294 -5.588 6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.113 -5.645 4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.223 -9.033 5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.578 -7.396 5.497 1.00 0.00 H new ATOM 225 N ASN A 17 7.323 -5.527 6.741 1.00 0.00 N ATOM 226 CA ASN A 17 8.205 -5.539 7.910 1.00 0.00 C ATOM 227 C ASN A 17 9.574 -4.911 7.581 1.00 0.00 C ATOM 228 O ASN A 17 9.628 -3.917 6.862 1.00 0.00 O ATOM 229 CB ASN A 17 8.285 -6.975 8.471 1.00 0.00 C ATOM 230 CG ASN A 17 8.820 -7.003 9.897 1.00 0.00 C ATOM 231 OD1 ASN A 17 8.487 -6.153 10.716 1.00 0.00 O ATOM 232 ND2 ASN A 17 9.706 -7.939 10.200 1.00 0.00 N ATOM 0 H ASN A 17 7.810 -5.425 5.851 1.00 0.00 H new ATOM 0 HA ASN A 17 7.793 -4.911 8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.294 -7.429 8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.928 -7.579 7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.125 -7.962 11.129 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.969 -8.637 9.504 1.00 0.00 H new ATOM 238 N SER A 18 10.693 -5.499 8.031 1.00 0.00 N ATOM 239 CA SER A 18 12.055 -5.061 7.708 1.00 0.00 C ATOM 240 C SER A 18 12.434 -5.550 6.303 1.00 0.00 C ATOM 241 O SER A 18 13.382 -6.306 6.112 1.00 0.00 O ATOM 242 CB SER A 18 13.031 -5.576 8.774 1.00 0.00 C ATOM 243 OG SER A 18 12.678 -5.054 10.042 1.00 0.00 O ATOM 0 H SER A 18 10.673 -6.313 8.645 1.00 0.00 H new ATOM 0 HA SER A 18 12.107 -3.972 7.708 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.012 -6.665 8.801 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.049 -5.281 8.520 1.00 0.00 H new ATOM 0 HG SER A 18 13.303 -5.388 10.719 1.00 0.00 H new ATOM 248 N LYS A 19 11.614 -5.138 5.341 1.00 0.00 N ATOM 249 CA LYS A 19 11.578 -5.585 3.957 1.00 0.00 C ATOM 250 C LYS A 19 11.167 -4.399 3.086 1.00 0.00 C ATOM 251 O LYS A 19 11.962 -3.819 2.350 1.00 0.00 O ATOM 252 CB LYS A 19 10.539 -6.717 3.876 1.00 0.00 C ATOM 253 CG LYS A 19 10.270 -7.260 2.466 1.00 0.00 C ATOM 254 CD LYS A 19 11.527 -7.673 1.691 1.00 0.00 C ATOM 255 CE LYS A 19 11.081 -8.403 0.415 1.00 0.00 C ATOM 256 NZ LYS A 19 12.219 -8.730 -0.470 1.00 0.00 N ATOM 0 H LYS A 19 10.904 -4.429 5.525 1.00 0.00 H new ATOM 0 HA LYS A 19 12.545 -5.951 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.873 -7.541 4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.599 -6.356 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.607 -8.122 2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.739 -6.500 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.124 -6.797 1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.155 -8.322 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.560 -9.321 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.369 -7.781 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.870 -9.221 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.702 -7.853 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.887 -9.346 0.036 1.00 0.00 H new ATOM 266 N SER A 20 9.886 -4.066 3.208 1.00 0.00 N ATOM 267 CA SER A 20 9.208 -2.875 2.717 1.00 0.00 C ATOM 268 C SER A 20 7.851 -2.830 3.434 1.00 0.00 C ATOM 269 O SER A 20 7.568 -3.693 4.273 1.00 0.00 O ATOM 270 CB SER A 20 9.054 -2.843 1.180 1.00 0.00 C ATOM 271 OG SER A 20 10.007 -3.655 0.517 1.00 0.00 O ATOM 0 H SER A 20 9.238 -4.682 3.699 1.00 0.00 H new ATOM 0 HA SER A 20 9.805 -1.990 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.051 -3.176 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.153 -1.815 0.831 1.00 0.00 H new ATOM 0 HG SER A 20 9.551 -4.234 -0.129 1.00 0.00 H new ATOM 276 N THR A 21 7.005 -1.861 3.100 1.00 0.00 N ATOM 277 CA THR A 21 5.652 -1.750 3.643 1.00 0.00 C ATOM 278 C THR A 21 4.655 -1.393 2.546 1.00 0.00 C ATOM 279 O THR A 21 4.410 -0.216 2.274 1.00 0.00 O ATOM 280 CB THR A 21 5.627 -0.770 4.823 1.00 0.00 C ATOM 281 OG1 THR A 21 6.664 -1.134 5.712 1.00 0.00 O ATOM 282 CG2 THR A 21 4.323 -0.871 5.608 1.00 0.00 C ATOM 0 H THR A 21 7.240 -1.122 2.438 1.00 0.00 H new ATOM 0 HA THR A 21 5.342 -2.719 4.034 1.00 0.00 H new ATOM 0 HB THR A 21 5.737 0.241 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.350 -1.041 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.341 -0.162 6.436 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.484 -0.640 4.951 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.211 -1.882 5.998 1.00 0.00 H new ATOM 290 N TRP A 22 4.113 -2.436 1.909 1.00 0.00 N ATOM 291 CA TRP A 22 3.130 -2.340 0.842 1.00 0.00 C ATOM 292 C TRP A 22 1.714 -2.222 1.351 1.00 0.00 C ATOM 293 O TRP A 22 1.432 -2.436 2.518 1.00 0.00 O ATOM 294 CB TRP A 22 3.325 -3.445 -0.210 1.00 0.00 C ATOM 295 CG TRP A 22 4.578 -3.396 -1.037 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.640 -2.590 -0.827 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.919 -4.182 -2.218 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.586 -2.796 -1.806 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.200 -3.775 -2.692 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.265 -5.182 -2.963 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.772 -4.322 -3.851 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.903 -5.850 -4.013 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.133 -5.392 -4.489 1.00 0.00 C ATOM 0 H TRP A 22 4.359 -3.400 2.135 1.00 0.00 H new ATOM 0 HA TRP A 22 3.311 -1.397 0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.296 -4.407 0.302 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.472 -3.419 -0.888 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.734 -1.888 -0.012 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.466 -2.285 -1.867 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.245 -5.440 -2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.694 -3.922 -4.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.444 -6.721 -4.456 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.590 -5.862 -5.347 1.00 0.00 H new ATOM 313 N LEU A 23 0.816 -1.837 0.457 1.00 0.00 N ATOM 314 CA LEU A 23 -0.594 -1.802 0.737 1.00 0.00 C ATOM 315 C LEU A 23 -1.423 -1.729 -0.541 1.00 0.00 C ATOM 316 O LEU A 23 -0.849 -1.474 -1.596 1.00 0.00 O ATOM 317 CB LEU A 23 -0.962 -0.692 1.725 1.00 0.00 C ATOM 318 CG LEU A 23 -0.141 0.480 2.274 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.947 1.767 2.007 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.096 0.440 3.812 1.00 0.00 C ATOM 0 H LEU A 23 1.057 -1.539 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.842 -2.745 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.841 -0.221 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.298 -1.225 2.615 1.00 0.00 H new ATOM 0 HG LEU A 23 0.851 0.438 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.394 2.627 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.107 1.880 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.911 1.704 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.492 1.281 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.110 0.505 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.362 -0.494 4.138 1.00 0.00 H new ATOM 331 N ILE A 24 -2.748 -1.935 -0.448 1.00 0.00 N ATOM 332 CA ILE A 24 -3.674 -1.690 -1.559 1.00 0.00 C ATOM 333 C ILE A 24 -4.702 -0.613 -1.209 1.00 0.00 C ATOM 334 O ILE A 24 -5.484 -0.786 -0.274 1.00 0.00 O ATOM 335 CB ILE A 24 -4.375 -2.964 -2.070 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.373 -4.033 -2.529 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.360 -2.653 -3.207 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.900 -5.471 -2.437 1.00 0.00 C ATOM 0 H ILE A 24 -3.203 -2.275 0.399 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.053 -1.328 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.933 -3.362 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.088 -3.828 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.469 -3.950 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.834 -3.576 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.123 -1.962 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.823 -2.200 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.131 -6.163 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.158 -5.698 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.786 -5.574 -3.063 1.00 0.00 H new ATOM 349 N LEU A 25 -4.727 0.466 -1.997 1.00 0.00 N ATOM 350 CA LEU A 25 -5.754 1.507 -1.930 1.00 0.00 C ATOM 351 C LEU A 25 -6.434 1.539 -3.307 1.00 0.00 C ATOM 352 O LEU A 25 -5.898 2.122 -4.253 1.00 0.00 O ATOM 353 CB LEU A 25 -5.239 2.894 -1.477 1.00 0.00 C ATOM 354 CG LEU A 25 -4.067 2.914 -0.488 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.648 4.355 -0.181 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.422 2.227 0.827 1.00 0.00 C ATOM 0 H LEU A 25 -4.021 0.643 -2.712 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.469 1.258 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.942 3.451 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.072 3.434 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.247 2.373 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.815 4.350 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.341 4.849 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.489 4.893 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.565 2.263 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.267 2.739 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.688 1.188 0.634 1.00 0.00 H new ATOM 367 N HIS A 26 -7.583 0.871 -3.440 1.00 0.00 N ATOM 368 CA HIS A 26 -8.365 0.837 -4.679 1.00 0.00 C ATOM 369 C HIS A 26 -7.636 0.057 -5.800 1.00 0.00 C ATOM 370 O HIS A 26 -7.289 0.619 -6.837 1.00 0.00 O ATOM 371 CB HIS A 26 -8.747 2.276 -5.102 1.00 0.00 C ATOM 372 CG HIS A 26 -9.084 3.217 -3.963 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.314 3.364 -3.361 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.217 4.076 -3.335 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.183 4.288 -2.392 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.922 4.741 -2.334 1.00 0.00 N ATOM 0 H HIS A 26 -8.001 0.332 -2.682 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.289 0.289 -4.494 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.920 2.702 -5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.603 2.224 -5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.173 4.212 -3.574 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.984 4.620 -1.748 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.552 5.435 -1.685 1.00 0.00 H new ATOM 383 N TYR A 27 -7.336 -1.232 -5.571 1.00 0.00 N ATOM 384 CA TYR A 27 -6.560 -2.135 -6.443 1.00 0.00 C ATOM 385 C TYR A 27 -5.076 -1.789 -6.617 1.00 0.00 C ATOM 386 O TYR A 27 -4.269 -2.669 -6.931 1.00 0.00 O ATOM 387 CB TYR A 27 -7.140 -2.290 -7.851 1.00 0.00 C ATOM 388 CG TYR A 27 -8.594 -2.704 -7.940 1.00 0.00 C ATOM 389 CD1 TYR A 27 -8.926 -4.070 -7.859 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.599 -1.756 -8.205 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.252 -4.490 -8.043 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.931 -2.178 -8.370 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.257 -3.541 -8.277 1.00 0.00 C ATOM 394 OH TYR A 27 -12.544 -3.947 -8.442 1.00 0.00 O ATOM 0 H TYR A 27 -7.647 -1.702 -4.721 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.640 -3.067 -5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.022 -1.341 -8.375 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.542 -3.027 -8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.156 -4.799 -7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.349 -0.708 -8.282 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.498 -5.541 -8.004 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.705 -1.452 -8.569 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.116 -3.166 -8.594 1.00 0.00 H new ATOM 403 N LYS A 28 -4.715 -0.513 -6.471 1.00 0.00 N ATOM 404 CA LYS A 28 -3.364 -0.062 -6.734 1.00 0.00 C ATOM 405 C LYS A 28 -2.455 -0.499 -5.591 1.00 0.00 C ATOM 406 O LYS A 28 -2.952 -0.671 -4.487 1.00 0.00 O ATOM 407 CB LYS A 28 -3.365 1.436 -7.043 1.00 0.00 C ATOM 408 CG LYS A 28 -4.028 1.601 -8.409 1.00 0.00 C ATOM 409 CD LYS A 28 -3.989 3.048 -8.897 1.00 0.00 C ATOM 410 CE LYS A 28 -4.973 3.231 -10.062 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.808 2.190 -11.101 1.00 0.00 N ATOM 0 H LYS A 28 -5.351 0.225 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.951 -0.529 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.911 1.989 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.349 1.829 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.526 0.961 -9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.064 1.266 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.247 3.724 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.980 3.306 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.994 3.203 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.826 4.214 -10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.394 2.428 -11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.810 2.141 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.104 1.269 -10.720 1.00 0.00 H new ATOM 421 N VAL A 29 -1.162 -0.718 -5.835 1.00 0.00 N ATOM 422 CA VAL A 29 -0.220 -1.125 -4.784 1.00 0.00 C ATOM 423 C VAL A 29 0.647 0.062 -4.367 1.00 0.00 C ATOM 424 O VAL A 29 1.100 0.824 -5.225 1.00 0.00 O ATOM 425 CB VAL A 29 0.639 -2.327 -5.191 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.587 -2.710 -4.052 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.232 -3.563 -5.349 1.00 0.00 C ATOM 0 H VAL A 29 -0.738 -0.620 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.809 -1.451 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 29 1.159 -2.045 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.192 -3.565 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.239 -1.867 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.006 -2.971 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.389 -4.411 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.728 -3.782 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.982 -3.383 -6.119 1.00 0.00 H new ATOM 437 N TYR A 30 0.878 0.193 -3.057 1.00 0.00 N ATOM 438 CA TYR A 30 1.433 1.352 -2.397 1.00 0.00 C ATOM 439 C TYR A 30 2.564 0.999 -1.430 1.00 0.00 C ATOM 440 O TYR A 30 2.264 0.426 -0.396 1.00 0.00 O ATOM 441 CB TYR A 30 0.255 1.886 -1.592 1.00 0.00 C ATOM 442 CG TYR A 30 -0.832 2.538 -2.415 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.812 1.710 -2.975 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.860 3.922 -2.673 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.827 2.254 -3.766 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.905 4.460 -3.455 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.902 3.628 -3.976 1.00 0.00 C ATOM 448 OH TYR A 30 -3.974 4.137 -4.640 1.00 0.00 O ATOM 0 H TYR A 30 0.666 -0.558 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 30 1.860 2.050 -3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.182 1.064 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.627 2.611 -0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.783 0.646 -2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.089 4.566 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.560 1.603 -4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.935 5.521 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.730 3.518 -4.563 1.00 0.00 H new ATOM 457 N ASP A 31 3.807 1.397 -1.713 1.00 0.00 N ATOM 458 CA ASP A 31 5.009 1.105 -0.902 1.00 0.00 C ATOM 459 C ASP A 31 5.455 2.357 -0.142 1.00 0.00 C ATOM 460 O ASP A 31 5.896 3.333 -0.750 1.00 0.00 O ATOM 461 CB ASP A 31 6.182 0.591 -1.752 1.00 0.00 C ATOM 462 CG ASP A 31 7.384 0.136 -0.911 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.512 0.561 0.263 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.146 -0.700 -1.442 1.00 0.00 O ATOM 0 H ASP A 31 4.020 1.952 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 31 4.729 0.317 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.840 -0.242 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.501 1.379 -2.434 1.00 0.00 H new ATOM 468 N LEU A 32 5.352 2.320 1.187 1.00 0.00 N ATOM 469 CA LEU A 32 5.442 3.526 2.003 1.00 0.00 C ATOM 470 C LEU A 32 6.501 3.454 3.100 1.00 0.00 C ATOM 471 O LEU A 32 6.441 4.218 4.062 1.00 0.00 O ATOM 472 CB LEU A 32 4.045 3.761 2.583 1.00 0.00 C ATOM 473 CG LEU A 32 2.960 3.458 1.545 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.605 3.673 2.144 1.00 0.00 C ATOM 475 CD2 LEU A 32 2.961 4.392 0.350 1.00 0.00 C ATOM 0 H LEU A 32 5.206 1.463 1.721 1.00 0.00 H new ATOM 0 HA LEU A 32 5.767 4.360 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.901 3.130 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.955 4.795 2.917 1.00 0.00 H new ATOM 0 HG LEU A 32 3.170 2.434 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.839 3.455 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.477 3.011 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.511 4.709 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.162 4.107 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.801 5.416 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.920 4.325 -0.163 1.00 0.00 H new ATOM 486 N THR A 33 7.488 2.572 2.933 1.00 0.00 N ATOM 487 CA THR A 33 8.487 2.168 3.931 1.00 0.00 C ATOM 488 C THR A 33 9.238 3.290 4.669 1.00 0.00 C ATOM 489 O THR A 33 9.790 3.039 5.735 1.00 0.00 O ATOM 490 CB THR A 33 9.460 1.189 3.245 1.00 0.00 C ATOM 491 OG1 THR A 33 8.739 0.190 2.544 1.00 0.00 O ATOM 492 CG2 THR A 33 10.380 0.467 4.233 1.00 0.00 C ATOM 0 H THR A 33 7.622 2.090 2.044 1.00 0.00 H new ATOM 0 HA THR A 33 7.932 1.702 4.745 1.00 0.00 H new ATOM 0 HB THR A 33 10.066 1.798 2.575 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.659 0.445 1.601 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.041 -0.208 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.977 1.200 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.778 -0.106 4.939 1.00 0.00 H new ATOM 500 N LYS A 34 9.238 4.524 4.158 1.00 0.00 N ATOM 501 CA LYS A 34 9.731 5.696 4.895 1.00 0.00 C ATOM 502 C LYS A 34 8.666 6.713 5.251 1.00 0.00 C ATOM 503 O LYS A 34 8.829 7.489 6.186 1.00 0.00 O ATOM 504 CB LYS A 34 10.769 6.419 4.048 1.00 0.00 C ATOM 505 CG LYS A 34 11.939 5.471 3.870 1.00 0.00 C ATOM 506 CD LYS A 34 13.183 6.276 3.486 1.00 0.00 C ATOM 507 CE LYS A 34 14.427 5.384 3.510 1.00 0.00 C ATOM 508 NZ LYS A 34 15.655 6.203 3.459 1.00 0.00 N ATOM 0 H LYS A 34 8.897 4.741 3.222 1.00 0.00 H new ATOM 0 HA LYS A 34 10.135 5.301 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.350 6.699 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.090 7.340 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.119 4.918 4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.713 4.736 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.054 6.704 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.312 7.109 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.427 4.775 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.406 4.698 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.488 5.581 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.661 6.766 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.682 6.840 4.281 1.00 0.00 H new ATOM 518 N PHE A 35 7.546 6.689 4.539 1.00 0.00 N ATOM 519 CA PHE A 35 6.399 7.482 4.971 1.00 0.00 C ATOM 520 C PHE A 35 6.054 7.137 6.419 1.00 0.00 C ATOM 521 O PHE A 35 5.702 8.006 7.204 1.00 0.00 O ATOM 522 CB PHE A 35 5.198 7.252 4.063 1.00 0.00 C ATOM 523 CG PHE A 35 4.017 8.150 4.369 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.209 9.521 4.632 1.00 0.00 C ATOM 525 CD2 PHE A 35 2.711 7.630 4.309 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.110 10.380 4.755 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.610 8.486 4.465 1.00 0.00 C ATOM 528 CZ PHE A 35 1.810 9.866 4.647 1.00 0.00 C ATOM 0 H PHE A 35 7.407 6.148 3.686 1.00 0.00 H new ATOM 0 HA PHE A 35 6.661 8.538 4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.502 7.408 3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.883 6.212 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.210 9.912 4.739 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.556 6.574 4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.263 11.434 4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.608 8.084 4.445 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.961 10.531 4.704 1.00 0.00 H new ATOM 537 N LEU A 36 6.248 5.866 6.775 1.00 0.00 N ATOM 538 CA LEU A 36 6.235 5.356 8.140 1.00 0.00 C ATOM 539 C LEU A 36 6.854 6.337 9.164 1.00 0.00 C ATOM 540 O LEU A 36 6.298 6.555 10.237 1.00 0.00 O ATOM 541 CB LEU A 36 6.996 4.020 8.170 1.00 0.00 C ATOM 542 CG LEU A 36 6.762 2.996 7.065 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.459 1.679 7.447 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.256 2.754 6.911 1.00 0.00 C ATOM 0 H LEU A 36 6.426 5.135 6.087 1.00 0.00 H new ATOM 0 HA LEU A 36 5.194 5.223 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.061 4.251 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.766 3.535 9.119 1.00 0.00 H new ATOM 0 HG LEU A 36 7.168 3.366 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.297 0.940 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.528 1.854 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.046 1.308 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.084 2.022 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.850 2.377 7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.762 3.690 6.652 1.00 0.00 H new ATOM 555 N GLU A 37 8.004 6.934 8.828 1.00 0.00 N ATOM 556 CA GLU A 37 8.746 7.875 9.668 1.00 0.00 C ATOM 557 C GLU A 37 8.000 9.213 9.879 1.00 0.00 C ATOM 558 O GLU A 37 8.195 9.885 10.890 1.00 0.00 O ATOM 559 CB GLU A 37 10.114 8.137 9.007 1.00 0.00 C ATOM 560 CG GLU A 37 10.956 6.866 8.760 1.00 0.00 C ATOM 561 CD GLU A 37 12.242 7.143 7.979 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.071 7.918 8.503 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.390 6.567 6.877 1.00 0.00 O ATOM 0 H GLU A 37 8.458 6.767 7.930 1.00 0.00 H new ATOM 0 HA GLU A 37 8.862 7.428 10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.953 8.642 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.684 8.819 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.210 6.413 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.355 6.139 8.213 1.00 0.00 H new ATOM 568 N GLU A 38 7.186 9.610 8.895 1.00 0.00 N ATOM 569 CA GLU A 38 6.547 10.918 8.753 1.00 0.00 C ATOM 570 C GLU A 38 5.048 10.913 9.118 1.00 0.00 C ATOM 571 O GLU A 38 4.571 11.777 9.852 1.00 0.00 O ATOM 572 CB GLU A 38 6.779 11.338 7.291 1.00 0.00 C ATOM 573 CG GLU A 38 6.025 12.610 6.877 1.00 0.00 C ATOM 574 CD GLU A 38 6.355 13.016 5.446 1.00 0.00 C ATOM 575 OE1 GLU A 38 5.730 12.427 4.538 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.229 13.894 5.292 1.00 0.00 O ATOM 0 H GLU A 38 6.942 8.984 8.128 1.00 0.00 H new ATOM 0 HA GLU A 38 6.984 11.629 9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.846 11.494 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.477 10.520 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.952 12.444 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.282 13.423 7.555 1.00 0.00 H new ATOM 581 N HIS A 39 4.292 9.964 8.561 1.00 0.00 N ATOM 582 CA HIS A 39 2.835 9.881 8.594 1.00 0.00 C ATOM 583 C HIS A 39 2.233 10.068 9.997 1.00 0.00 C ATOM 584 O HIS A 39 2.439 9.219 10.865 1.00 0.00 O ATOM 585 CB HIS A 39 2.437 8.512 8.035 1.00 0.00 C ATOM 586 CG HIS A 39 0.953 8.243 7.994 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.355 7.106 8.477 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.005 8.955 7.305 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.925 7.128 8.060 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.194 8.237 7.337 1.00 0.00 N ATOM 0 H HIS A 39 4.708 9.189 8.045 1.00 0.00 H new ATOM 0 HA HIS A 39 2.438 10.700 7.994 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.835 8.420 7.024 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.914 7.739 8.637 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.796 6.382 9.044 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.158 9.908 6.820 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.647 6.355 8.277 1.00 0.00 H new ATOM 597 N PRO A 40 1.418 11.115 10.227 1.00 0.00 N ATOM 598 CA PRO A 40 0.821 11.378 11.533 1.00 0.00 C ATOM 599 C PRO A 40 -0.137 10.265 11.979 1.00 0.00 C ATOM 600 O PRO A 40 -0.364 10.091 13.173 1.00 0.00 O ATOM 601 CB PRO A 40 0.131 12.740 11.403 1.00 0.00 C ATOM 602 CG PRO A 40 -0.190 12.828 9.913 1.00 0.00 C ATOM 603 CD PRO A 40 0.987 12.112 9.260 1.00 0.00 C ATOM 0 HA PRO A 40 1.578 11.397 12.317 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.771 12.794 12.013 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.782 13.553 11.723 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.137 12.344 9.676 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.268 13.862 9.578 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.691 11.646 8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.792 12.810 9.030 1.00 0.00 H new ATOM 608 N GLY A 41 -0.673 9.481 11.037 1.00 0.00 N ATOM 609 CA GLY A 41 -1.413 8.263 11.353 1.00 0.00 C ATOM 610 C GLY A 41 -0.566 7.203 12.075 1.00 0.00 C ATOM 611 O GLY A 41 -1.122 6.414 12.833 1.00 0.00 O ATOM 0 H GLY A 41 -0.604 9.676 10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.270 8.519 11.976 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.806 7.836 10.430 1.00 0.00 H new ATOM 615 N GLY A 42 0.753 7.165 11.827 1.00 0.00 N ATOM 616 CA GLY A 42 1.696 6.209 12.406 1.00 0.00 C ATOM 617 C GLY A 42 2.347 5.325 11.337 1.00 0.00 C ATOM 618 O GLY A 42 1.916 5.337 10.177 1.00 0.00 O ATOM 0 H GLY A 42 1.203 7.826 11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.471 6.749 12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.177 5.580 13.129 1.00 0.00 H new ATOM 622 N GLU A 43 3.369 4.551 11.734 1.00 0.00 N ATOM 623 CA GLU A 43 3.940 3.479 10.914 1.00 0.00 C ATOM 624 C GLU A 43 3.144 2.213 11.173 1.00 0.00 C ATOM 625 O GLU A 43 2.570 1.641 10.250 1.00 0.00 O ATOM 626 CB GLU A 43 5.448 3.261 11.176 1.00 0.00 C ATOM 627 CG GLU A 43 6.039 1.914 10.683 1.00 0.00 C ATOM 628 CD GLU A 43 6.010 0.709 11.618 1.00 0.00 C ATOM 629 OE1 GLU A 43 5.017 -0.044 11.549 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.039 0.404 12.265 1.00 0.00 O ATOM 0 H GLU A 43 3.824 4.655 12.641 1.00 0.00 H new ATOM 0 HA GLU A 43 3.868 3.763 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.000 4.072 10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.625 3.341 12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.510 1.636 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.078 2.092 10.407 1.00 0.00 H new ATOM 635 N GLU A 44 3.040 1.843 12.448 1.00 0.00 N ATOM 636 CA GLU A 44 2.275 0.695 12.912 1.00 0.00 C ATOM 637 C GLU A 44 0.905 0.705 12.270 1.00 0.00 C ATOM 638 O GLU A 44 0.451 -0.277 11.711 1.00 0.00 O ATOM 639 CB GLU A 44 2.118 0.619 14.440 1.00 0.00 C ATOM 640 CG GLU A 44 2.705 1.795 15.246 1.00 0.00 C ATOM 641 CD GLU A 44 2.188 3.143 14.754 1.00 0.00 C ATOM 642 OE1 GLU A 44 0.958 3.270 14.589 1.00 0.00 O ATOM 643 OE2 GLU A 44 3.061 3.929 14.321 1.00 0.00 O ATOM 0 H GLU A 44 3.499 2.350 13.205 1.00 0.00 H new ATOM 0 HA GLU A 44 2.844 -0.186 12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.056 0.542 14.671 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.587 -0.302 14.787 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.453 1.673 16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.792 1.776 15.174 1.00 0.00 H new ATOM 648 N HIS A 45 0.255 1.853 12.310 1.00 0.00 N ATOM 649 CA HIS A 45 -1.057 2.039 11.739 1.00 0.00 C ATOM 650 C HIS A 45 -1.152 1.724 10.239 1.00 0.00 C ATOM 651 O HIS A 45 -2.181 1.243 9.771 1.00 0.00 O ATOM 652 CB HIS A 45 -1.474 3.464 12.084 1.00 0.00 C ATOM 653 CG HIS A 45 -2.950 3.695 11.921 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.906 3.512 12.891 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.590 4.017 10.760 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.104 3.735 12.325 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.963 4.056 11.029 1.00 0.00 N ATOM 0 H HIS A 45 0.633 2.693 12.748 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.749 1.314 12.167 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.188 3.682 13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.929 4.161 11.447 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.122 4.207 9.806 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.050 3.666 12.841 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.709 4.283 10.371 1.00 0.00 H new ATOM 664 N LEU A 46 -0.073 1.941 9.483 1.00 0.00 N ATOM 665 CA LEU A 46 0.021 1.493 8.097 1.00 0.00 C ATOM 666 C LEU A 46 0.463 0.035 8.009 1.00 0.00 C ATOM 667 O LEU A 46 0.045 -0.698 7.121 1.00 0.00 O ATOM 668 CB LEU A 46 1.040 2.362 7.339 1.00 0.00 C ATOM 669 CG LEU A 46 0.666 3.845 7.216 1.00 0.00 C ATOM 670 CD1 LEU A 46 1.865 4.622 6.664 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.528 4.032 6.279 1.00 0.00 C ATOM 0 H LEU A 46 0.757 2.431 9.816 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.969 1.586 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.004 2.287 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.170 1.952 6.338 1.00 0.00 H new ATOM 0 HG LEU A 46 0.394 4.218 8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.605 5.677 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.712 4.513 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.132 4.230 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.773 5.092 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.277 3.651 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.387 3.486 6.670 1.00 0.00 H new ATOM 682 N ARG A 47 1.323 -0.384 8.929 1.00 0.00 N ATOM 683 CA ARG A 47 2.061 -1.643 8.866 1.00 0.00 C ATOM 684 C ARG A 47 1.201 -2.831 9.267 1.00 0.00 C ATOM 685 O ARG A 47 1.269 -3.907 8.683 1.00 0.00 O ATOM 686 CB ARG A 47 3.286 -1.474 9.747 1.00 0.00 C ATOM 687 CG ARG A 47 4.420 -2.480 9.510 1.00 0.00 C ATOM 688 CD ARG A 47 4.420 -3.614 10.546 1.00 0.00 C ATOM 689 NE ARG A 47 5.799 -4.029 10.878 1.00 0.00 N ATOM 690 CZ ARG A 47 6.669 -3.315 11.612 1.00 0.00 C ATOM 691 NH1 ARG A 47 6.345 -2.135 12.112 1.00 0.00 N ATOM 692 NH2 ARG A 47 7.887 -3.777 11.849 1.00 0.00 N ATOM 0 H ARG A 47 1.534 0.159 9.766 1.00 0.00 H new ATOM 0 HA ARG A 47 2.365 -1.864 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.680 -0.469 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.974 -1.545 10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.323 -2.904 8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.377 -1.960 9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.908 -3.285 11.450 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.864 -4.467 10.157 1.00 0.00 H new ATOM 0 HE ARG A 47 6.116 -4.930 10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.417 -1.747 11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.023 -1.612 12.666 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.171 -4.682 11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.541 -3.228 12.407 1.00 0.00 H new ATOM 703 N GLU A 48 0.368 -2.578 10.268 1.00 0.00 N ATOM 704 CA GLU A 48 -0.742 -3.434 10.679 1.00 0.00 C ATOM 705 C GLU A 48 -1.584 -3.860 9.460 1.00 0.00 C ATOM 706 O GLU A 48 -1.816 -5.048 9.241 1.00 0.00 O ATOM 707 CB GLU A 48 -1.565 -2.646 11.706 1.00 0.00 C ATOM 708 CG GLU A 48 -2.675 -3.467 12.391 1.00 0.00 C ATOM 709 CD GLU A 48 -3.928 -3.696 11.552 1.00 0.00 C ATOM 710 OE1 GLU A 48 -4.190 -2.859 10.662 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.615 -4.698 11.839 1.00 0.00 O ATOM 0 H GLU A 48 0.449 -1.737 10.840 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.380 -4.358 11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.893 -2.256 12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.017 -1.787 11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.265 -4.436 12.674 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.962 -2.961 13.313 1.00 0.00 H new ATOM 716 N GLN A 49 -1.979 -2.887 8.627 1.00 0.00 N ATOM 717 CA GLN A 49 -2.698 -3.141 7.379 1.00 0.00 C ATOM 718 C GLN A 49 -1.784 -3.767 6.322 1.00 0.00 C ATOM 719 O GLN A 49 -2.191 -4.635 5.553 1.00 0.00 O ATOM 720 CB GLN A 49 -3.203 -1.822 6.775 1.00 0.00 C ATOM 721 CG GLN A 49 -4.313 -1.064 7.505 1.00 0.00 C ATOM 722 CD GLN A 49 -5.629 -1.831 7.541 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.461 -1.691 6.655 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.854 -2.636 8.565 1.00 0.00 N ATOM 0 H GLN A 49 -1.806 -1.898 8.805 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.518 -3.814 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.349 -1.151 6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.554 -2.033 5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.992 -0.854 8.525 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.472 -0.103 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.150 -2.741 9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.732 -3.152 8.625 1.00 0.00 H new ATOM 731 N ALA A 50 -0.563 -3.235 6.245 1.00 0.00 N ATOM 732 CA ALA A 50 0.373 -3.456 5.156 1.00 0.00 C ATOM 733 C ALA A 50 0.567 -4.901 4.690 1.00 0.00 C ATOM 734 O ALA A 50 0.467 -5.888 5.420 1.00 0.00 O ATOM 735 CB ALA A 50 1.744 -2.883 5.505 1.00 0.00 C ATOM 0 H ALA A 50 -0.192 -2.618 6.967 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.099 -2.939 4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.432 -3.057 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.656 -1.811 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.124 -3.370 6.403 1.00 0.00 H new ATOM 741 N GLY A 51 0.939 -4.981 3.419 1.00 0.00 N ATOM 742 CA GLY A 51 1.058 -6.213 2.661 1.00 0.00 C ATOM 743 C GLY A 51 -0.206 -6.482 1.835 1.00 0.00 C ATOM 744 O GLY A 51 -0.382 -7.563 1.274 1.00 0.00 O ATOM 0 H GLY A 51 1.175 -4.155 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.922 -6.153 1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.235 -7.046 3.342 1.00 0.00 H new ATOM 748 N GLY A 52 -1.067 -5.464 1.741 1.00 0.00 N ATOM 749 CA GLY A 52 -2.235 -5.385 0.886 1.00 0.00 C ATOM 750 C GLY A 52 -3.315 -4.529 1.547 1.00 0.00 C ATOM 751 O GLY A 52 -3.037 -3.845 2.528 1.00 0.00 O ATOM 0 H GLY A 52 -0.950 -4.620 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.961 -4.957 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.621 -6.386 0.692 1.00 0.00 H new ATOM 755 N ASP A 53 -4.494 -4.510 0.925 1.00 0.00 N ATOM 756 CA ASP A 53 -5.751 -3.893 1.332 1.00 0.00 C ATOM 757 C ASP A 53 -5.689 -3.072 2.617 1.00 0.00 C ATOM 758 O ASP A 53 -5.729 -3.568 3.741 1.00 0.00 O ATOM 759 CB ASP A 53 -6.955 -4.835 1.282 1.00 0.00 C ATOM 760 CG ASP A 53 -8.260 -4.031 1.338 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.181 -2.778 1.429 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.318 -4.683 1.256 1.00 0.00 O ATOM 0 H ASP A 53 -4.600 -4.979 0.025 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.921 -3.154 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.924 -5.428 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.914 -5.534 2.117 1.00 0.00 H new ATOM 766 N ALA A 54 -5.621 -1.776 2.368 1.00 0.00 N ATOM 767 CA ALA A 54 -5.727 -0.726 3.348 1.00 0.00 C ATOM 768 C ALA A 54 -6.695 0.325 2.806 1.00 0.00 C ATOM 769 O ALA A 54 -6.674 1.483 3.218 1.00 0.00 O ATOM 770 CB ALA A 54 -4.299 -0.249 3.565 1.00 0.00 C ATOM 0 H ALA A 54 -5.483 -1.416 1.424 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.137 -1.021 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.292 0.555 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.690 -1.077 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.891 0.118 2.623 1.00 0.00 H new ATOM 776 N THR A 55 -7.565 -0.100 1.881 1.00 0.00 N ATOM 777 CA THR A 55 -8.512 0.751 1.180 1.00 0.00 C ATOM 778 C THR A 55 -9.569 1.231 2.171 1.00 0.00 C ATOM 779 O THR A 55 -9.818 2.430 2.304 1.00 0.00 O ATOM 780 CB THR A 55 -9.116 -0.062 0.022 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.138 -0.370 -0.950 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.239 0.690 -0.693 1.00 0.00 C ATOM 0 H THR A 55 -7.624 -1.078 1.597 1.00 0.00 H new ATOM 0 HA THR A 55 -8.032 1.636 0.761 1.00 0.00 H new ATOM 0 HB THR A 55 -9.512 -0.969 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.276 -0.525 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.632 0.074 -1.502 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.037 0.911 0.015 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.849 1.622 -1.103 1.00 0.00 H new ATOM 790 N GLU A 56 -10.144 0.284 2.915 1.00 0.00 N ATOM 791 CA GLU A 56 -11.101 0.591 3.964 1.00 0.00 C ATOM 792 C GLU A 56 -10.492 1.523 5.018 1.00 0.00 C ATOM 793 O GLU A 56 -11.045 2.589 5.278 1.00 0.00 O ATOM 794 CB GLU A 56 -11.649 -0.718 4.547 1.00 0.00 C ATOM 795 CG GLU A 56 -12.797 -0.446 5.533 1.00 0.00 C ATOM 796 CD GLU A 56 -13.508 -1.725 5.955 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.020 -2.354 6.918 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.522 -2.049 5.300 1.00 0.00 O ATOM 0 H GLU A 56 -9.956 -0.712 2.803 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.944 1.142 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.003 -1.359 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.849 -1.257 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.404 0.057 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.516 0.232 5.073 1.00 0.00 H new ATOM 803 N ASN A 57 -9.323 1.187 5.587 1.00 0.00 N ATOM 804 CA ASN A 57 -8.754 2.048 6.626 1.00 0.00 C ATOM 805 C ASN A 57 -8.329 3.412 6.057 1.00 0.00 C ATOM 806 O ASN A 57 -8.426 4.424 6.753 1.00 0.00 O ATOM 807 CB ASN A 57 -7.606 1.378 7.400 1.00 0.00 C ATOM 808 CG ASN A 57 -7.547 1.834 8.862 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.135 1.078 9.731 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.956 3.057 9.177 1.00 0.00 N ATOM 0 H ASN A 57 -8.775 0.359 5.355 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.551 2.220 7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.729 0.296 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.659 1.607 6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.928 3.370 10.147 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.299 3.684 8.449 1.00 0.00 H new ATOM 816 N PHE A 58 -7.874 3.454 4.798 1.00 0.00 N ATOM 817 CA PHE A 58 -7.614 4.721 4.116 1.00 0.00 C ATOM 818 C PHE A 58 -8.844 5.639 4.079 1.00 0.00 C ATOM 819 O PHE A 58 -8.708 6.806 4.439 1.00 0.00 O ATOM 820 CB PHE A 58 -7.063 4.487 2.707 1.00 0.00 C ATOM 821 CG PHE A 58 -6.739 5.768 1.962 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.731 6.620 2.447 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.501 6.159 0.845 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.477 7.851 1.818 1.00 0.00 C ATOM 825 CE2 PHE A 58 -7.254 7.392 0.220 1.00 0.00 C ATOM 826 CZ PHE A 58 -6.243 8.241 0.707 1.00 0.00 C ATOM 0 H PHE A 58 -7.680 2.626 4.235 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.855 5.238 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.162 3.878 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.791 3.916 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.149 6.327 3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.277 5.509 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.694 8.496 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.841 7.689 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.056 9.191 0.228 1.00 0.00 H new ATOM 835 N GLU A 59 -10.010 5.119 3.657 1.00 0.00 N ATOM 836 CA GLU A 59 -11.287 5.810 3.493 1.00 0.00 C ATOM 837 C GLU A 59 -12.045 6.040 4.813 1.00 0.00 C ATOM 838 O GLU A 59 -12.805 6.999 4.921 1.00 0.00 O ATOM 839 CB GLU A 59 -12.133 5.132 2.405 1.00 0.00 C ATOM 840 CG GLU A 59 -11.542 5.326 0.987 1.00 0.00 C ATOM 841 CD GLU A 59 -11.434 6.779 0.503 1.00 0.00 C ATOM 842 OE1 GLU A 59 -12.154 7.647 1.034 1.00 0.00 O ATOM 843 OE2 GLU A 59 -10.618 7.042 -0.411 1.00 0.00 O ATOM 0 H GLU A 59 -10.082 4.133 3.405 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.064 6.820 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.210 4.066 2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.145 5.536 2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.548 4.880 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.157 4.771 0.278 1.00 0.00 H new ATOM 848 N ASP A 60 -11.812 5.208 5.833 1.00 0.00 N ATOM 849 CA ASP A 60 -12.276 5.427 7.201 1.00 0.00 C ATOM 850 C ASP A 60 -11.866 6.831 7.692 1.00 0.00 C ATOM 851 O ASP A 60 -12.704 7.678 7.996 1.00 0.00 O ATOM 852 CB ASP A 60 -11.678 4.307 8.058 1.00 0.00 C ATOM 853 CG ASP A 60 -11.983 4.489 9.534 1.00 0.00 C ATOM 854 OD1 ASP A 60 -13.135 4.200 9.920 1.00 0.00 O ATOM 855 OD2 ASP A 60 -11.051 4.931 10.239 1.00 0.00 O ATOM 0 H ASP A 60 -11.282 4.343 5.724 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.364 5.395 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.071 3.347 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.598 4.278 7.913 1.00 0.00 H new ATOM 859 N VAL A 61 -10.556 7.088 7.699 1.00 0.00 N ATOM 860 CA VAL A 61 -9.991 8.423 7.897 1.00 0.00 C ATOM 861 C VAL A 61 -10.317 9.302 6.680 1.00 0.00 C ATOM 862 O VAL A 61 -10.596 10.496 6.788 1.00 0.00 O ATOM 863 CB VAL A 61 -8.471 8.287 8.084 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.783 9.657 8.170 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.162 7.484 9.351 1.00 0.00 C ATOM 0 H VAL A 61 -9.849 6.365 7.565 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.419 8.894 8.782 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.082 7.764 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.710 9.518 8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.966 10.214 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.184 10.213 9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.082 7.395 9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.583 7.995 10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.601 6.490 9.268 1.00 0.00 H new ATOM 875 N GLY A 62 -10.213 8.699 5.499 1.00 0.00 N ATOM 876 CA GLY A 62 -10.579 9.204 4.185 1.00 0.00 C ATOM 877 C GLY A 62 -9.765 10.363 3.635 1.00 0.00 C ATOM 878 O GLY A 62 -9.704 10.503 2.418 1.00 0.00 O ATOM 0 H GLY A 62 -9.834 7.754 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.514 8.379 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.624 9.512 4.220 1.00 0.00 H new ATOM 882 N HIS A 63 -9.084 11.139 4.476 1.00 0.00 N ATOM 883 CA HIS A 63 -8.008 12.032 4.049 1.00 0.00 C ATOM 884 CB HIS A 63 -6.888 11.156 3.463 1.00 0.00 C ATOM 885 CG HIS A 63 -6.282 10.171 4.426 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.738 8.911 4.761 1.00 0.00 N ATOM 887 CD2 HIS A 63 -5.035 10.312 4.956 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.768 8.324 5.488 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.694 9.130 5.618 1.00 0.00 N ATOM 0 H HIS A 63 -9.264 11.166 5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.285 10.608 2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.098 11.806 3.086 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.638 8.503 4.506 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.413 11.192 4.877 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.841 7.334 5.913 1.00 0.00 H new ATOM 896 N SER A 64 -7.432 14.096 2.898 1.00 0.00 N ATOM 897 CA SER A 64 -7.511 15.189 1.931 1.00 0.00 C ATOM 898 C SER A 64 -7.223 14.750 0.475 1.00 0.00 C ATOM 899 O SER A 64 -7.073 13.566 0.153 1.00 0.00 O ATOM 900 CB SER A 64 -6.544 16.291 2.401 1.00 0.00 C ATOM 901 OG SER A 64 -6.994 16.832 3.627 1.00 0.00 O ATOM 0 HA SER A 64 -8.535 15.561 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.541 15.881 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.480 17.077 1.648 1.00 0.00 H new ATOM 0 HG SER A 64 -6.291 16.738 4.304 1.00 0.00 H new ATOM 906 N THR A 65 -7.150 15.736 -0.427 1.00 0.00 N ATOM 907 CA THR A 65 -6.657 15.616 -1.800 1.00 0.00 C ATOM 908 C THR A 65 -5.138 15.487 -1.783 1.00 0.00 C ATOM 909 O THR A 65 -4.607 14.563 -2.389 1.00 0.00 O ATOM 910 CB THR A 65 -7.056 16.877 -2.575 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.745 18.001 -1.771 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.557 16.897 -2.865 1.00 0.00 C ATOM 0 H THR A 65 -7.449 16.686 -0.206 1.00 0.00 H new ATOM 0 HA THR A 65 -7.086 14.735 -2.277 1.00 0.00 H new ATOM 0 HB THR A 65 -6.518 16.894 -3.523 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.990 18.822 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.809 17.803 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.824 16.024 -3.461 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.109 16.878 -1.926 1.00 0.00 H new ATOM 920 N ASP A 66 -4.457 16.373 -1.049 1.00 0.00 N ATOM 921 CA ASP A 66 -3.036 16.297 -0.713 1.00 0.00 C ATOM 922 C ASP A 66 -2.534 14.843 -0.619 1.00 0.00 C ATOM 923 O ASP A 66 -1.618 14.437 -1.330 1.00 0.00 O ATOM 924 CB ASP A 66 -2.852 17.051 0.611 1.00 0.00 C ATOM 925 CG ASP A 66 -1.465 16.837 1.193 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.324 15.846 1.941 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.581 17.650 0.857 1.00 0.00 O ATOM 0 H ASP A 66 -4.905 17.201 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.438 16.752 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.018 18.116 0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.603 16.717 1.327 1.00 0.00 H new ATOM 931 N ALA A 67 -3.205 14.036 0.203 1.00 0.00 N ATOM 932 CA ALA A 67 -2.875 12.637 0.423 1.00 0.00 C ATOM 933 C ALA A 67 -3.029 11.797 -0.856 1.00 0.00 C ATOM 934 O ALA A 67 -2.163 11.004 -1.218 1.00 0.00 O ATOM 935 CB ALA A 67 -3.770 12.099 1.544 1.00 0.00 C ATOM 0 H ALA A 67 -4.011 14.349 0.745 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.827 12.563 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.537 11.049 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.595 12.671 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.816 12.193 1.252 1.00 0.00 H new ATOM 941 N ARG A 68 -4.140 11.975 -1.566 1.00 0.00 N ATOM 942 CA ARG A 68 -4.405 11.294 -2.827 1.00 0.00 C ATOM 943 C ARG A 68 -3.369 11.661 -3.896 1.00 0.00 C ATOM 944 O ARG A 68 -2.926 10.809 -4.667 1.00 0.00 O ATOM 945 CB ARG A 68 -5.831 11.633 -3.266 1.00 0.00 C ATOM 946 CG ARG A 68 -6.805 10.831 -2.398 1.00 0.00 C ATOM 947 CD ARG A 68 -8.261 11.164 -2.718 1.00 0.00 C ATOM 948 NE ARG A 68 -9.154 10.329 -1.896 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.445 10.509 -0.604 1.00 0.00 C ATOM 950 NH1 ARG A 68 -8.984 11.545 0.095 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.205 9.626 0.019 1.00 0.00 N ATOM 0 H ARG A 68 -4.889 12.604 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.319 10.216 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.018 12.701 -3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.972 11.390 -4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.634 9.765 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.608 11.038 -1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.454 12.219 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.459 10.993 -3.776 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.594 9.534 -2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.385 12.238 -0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.230 11.646 1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.564 8.816 -0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.433 9.755 1.005 1.00 0.00 H new ATOM 962 N GLU A 69 -2.941 12.920 -3.900 1.00 0.00 N ATOM 963 CA GLU A 69 -1.864 13.393 -4.761 1.00 0.00 C ATOM 964 C GLU A 69 -0.534 12.737 -4.367 1.00 0.00 C ATOM 965 O GLU A 69 0.139 12.127 -5.199 1.00 0.00 O ATOM 966 CB GLU A 69 -1.821 14.927 -4.726 1.00 0.00 C ATOM 967 CG GLU A 69 -3.040 15.543 -5.437 1.00 0.00 C ATOM 968 CD GLU A 69 -3.136 15.128 -6.897 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.107 15.194 -7.607 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.197 14.608 -7.313 1.00 0.00 O ATOM 0 H GLU A 69 -3.335 13.645 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.049 13.099 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.792 15.268 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.905 15.277 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.950 15.242 -4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.982 16.630 -5.375 1.00 0.00 H new ATOM 975 N LEU A 70 -0.199 12.783 -3.078 1.00 0.00 N ATOM 976 CA LEU A 70 0.942 12.079 -2.497 1.00 0.00 C ATOM 977 C LEU A 70 0.960 10.617 -2.949 1.00 0.00 C ATOM 978 O LEU A 70 1.990 10.086 -3.356 1.00 0.00 O ATOM 979 CB LEU A 70 0.861 12.124 -0.960 1.00 0.00 C ATOM 980 CG LEU A 70 2.187 12.057 -0.178 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.383 11.465 -0.920 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.554 13.450 0.308 1.00 0.00 C ATOM 0 H LEU A 70 -0.727 13.324 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 70 1.853 12.572 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.349 13.043 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.234 11.295 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 70 1.988 11.363 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.256 11.472 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.158 10.440 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.591 12.060 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.492 13.407 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.668 14.116 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.765 13.828 0.959 1.00 0.00 H new ATOM 993 N SER A 71 -0.201 9.956 -2.906 1.00 0.00 N ATOM 994 CA SER A 71 -0.325 8.536 -3.150 1.00 0.00 C ATOM 995 C SER A 71 0.340 8.133 -4.480 1.00 0.00 C ATOM 996 O SER A 71 0.983 7.092 -4.574 1.00 0.00 O ATOM 997 CB SER A 71 -1.797 8.127 -3.021 1.00 0.00 C ATOM 998 OG SER A 71 -2.448 8.130 -4.277 1.00 0.00 O ATOM 0 H SER A 71 -1.090 10.411 -2.696 1.00 0.00 H new ATOM 0 HA SER A 71 0.223 7.974 -2.394 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.862 7.133 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.308 8.811 -2.344 1.00 0.00 H new ATOM 0 HG SER A 71 -2.674 9.051 -4.526 1.00 0.00 H new ATOM 1003 N LYS A 72 0.311 9.024 -5.477 1.00 0.00 N ATOM 1004 CA LYS A 72 0.945 8.821 -6.782 1.00 0.00 C ATOM 1005 C LYS A 72 2.455 8.577 -6.656 1.00 0.00 C ATOM 1006 O LYS A 72 3.002 7.720 -7.342 1.00 0.00 O ATOM 1007 CB LYS A 72 0.664 10.027 -7.690 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.831 10.362 -7.713 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.123 11.584 -8.590 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.624 11.899 -8.542 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.916 13.244 -9.077 1.00 0.00 N ATOM 0 H LYS A 72 -0.163 9.923 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 72 0.514 7.925 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.228 10.891 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.008 9.812 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.391 9.504 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.177 10.552 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.549 12.442 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.813 11.391 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.171 11.152 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.977 11.832 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.813 13.589 -8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.148 13.895 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.993 13.196 -10.113 1.00 0.00 H new ATOM 1021 N THR A 73 3.114 9.312 -5.751 1.00 0.00 N ATOM 1022 CA THR A 73 4.553 9.160 -5.453 1.00 0.00 C ATOM 1023 C THR A 73 4.865 8.124 -4.350 1.00 0.00 C ATOM 1024 O THR A 73 5.990 7.994 -3.871 1.00 0.00 O ATOM 1025 CB THR A 73 5.195 10.540 -5.221 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.592 10.461 -5.393 1.00 0.00 O ATOM 1027 CG2 THR A 73 4.895 11.190 -3.868 1.00 0.00 C ATOM 0 H THR A 73 2.662 10.039 -5.196 1.00 0.00 H new ATOM 0 HA THR A 73 5.025 8.723 -6.333 1.00 0.00 H new ATOM 0 HB THR A 73 4.733 11.185 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.926 9.635 -4.984 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.395 12.157 -3.810 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.819 11.331 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.256 10.546 -3.067 1.00 0.00 H new ATOM 1035 N PHE A 74 3.846 7.356 -3.972 1.00 0.00 N ATOM 1036 CA PHE A 74 3.832 6.267 -2.989 1.00 0.00 C ATOM 1037 C PHE A 74 3.401 4.936 -3.620 1.00 0.00 C ATOM 1038 O PHE A 74 3.689 3.861 -3.098 1.00 0.00 O ATOM 1039 CB PHE A 74 2.891 6.723 -1.887 1.00 0.00 C ATOM 1040 CG PHE A 74 3.468 7.577 -0.772 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.852 7.749 -0.535 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.542 8.202 0.071 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.289 8.549 0.535 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.975 8.954 1.169 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.342 9.188 1.352 1.00 0.00 C ATOM 0 H PHE A 74 2.922 7.490 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 74 4.828 6.071 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.078 7.282 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.450 5.835 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.573 7.265 -1.177 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.485 8.103 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.345 8.671 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.257 9.352 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.671 9.865 2.127 1.00 0.00 H new ATOM 1054 N ILE A 75 2.708 4.998 -4.753 1.00 0.00 N ATOM 1055 CA ILE A 75 2.365 3.844 -5.554 1.00 0.00 C ATOM 1056 C ILE A 75 3.574 3.204 -6.223 1.00 0.00 C ATOM 1057 O ILE A 75 4.544 3.860 -6.595 1.00 0.00 O ATOM 1058 CB ILE A 75 1.344 4.280 -6.620 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.014 4.252 -5.926 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.310 3.436 -7.907 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.124 4.620 -6.887 1.00 0.00 C ATOM 0 H ILE A 75 2.365 5.876 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 75 1.944 3.087 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 75 1.633 5.267 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.197 3.258 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.011 4.946 -5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.555 3.835 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.286 3.471 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.065 2.403 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.081 4.592 -6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.951 5.624 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.140 3.909 -7.713 1.00 0.00 H new ATOM 1072 N ILE A 76 3.432 1.900 -6.441 1.00 0.00 N ATOM 1073 CA ILE A 76 4.298 1.091 -7.285 1.00 0.00 C ATOM 1074 C ILE A 76 3.518 0.496 -8.474 1.00 0.00 C ATOM 1075 O ILE A 76 4.088 0.290 -9.542 1.00 0.00 O ATOM 1076 CB ILE A 76 5.018 0.036 -6.443 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.995 -0.887 -5.773 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.914 0.719 -5.398 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.719 -1.965 -4.961 1.00 0.00 C ATOM 0 H ILE A 76 2.679 1.358 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 76 5.068 1.726 -7.724 1.00 0.00 H new ATOM 0 HB ILE A 76 5.652 -0.571 -7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.341 -0.307 -5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.362 -1.352 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.423 -0.040 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.654 1.340 -5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.302 1.342 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.986 -2.618 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.355 -2.553 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.333 -1.492 -4.194 1.00 0.00 H new ATOM 1090 N GLY A 77 2.207 0.243 -8.319 1.00 0.00 N ATOM 1091 CA GLY A 77 1.342 -0.095 -9.447 1.00 0.00 C ATOM 1092 C GLY A 77 -0.020 -0.670 -9.046 1.00 0.00 C ATOM 1093 O GLY A 77 -0.853 0.061 -8.520 1.00 0.00 O ATOM 0 H GLY A 77 1.729 0.268 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.183 0.800 -10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.856 -0.818 -10.081 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.251 -1.963 -9.304 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.521 -2.677 -9.125 1.00 0.00 C ATOM 1099 C GLU A 78 -1.295 -4.048 -8.499 1.00 0.00 C ATOM 1100 O GLU A 78 -0.205 -4.608 -8.570 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.177 -2.896 -10.493 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.927 -1.677 -11.062 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.360 -1.521 -10.564 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.975 -2.554 -10.209 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.846 -0.371 -10.618 1.00 0.00 O ATOM 0 H GLU A 78 0.484 -2.573 -9.663 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.154 -2.076 -8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.407 -3.193 -11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.876 -3.729 -10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.369 -0.775 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.941 -1.751 -12.149 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.367 -4.625 -7.963 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.332 -5.945 -7.327 1.00 0.00 C ATOM 1112 C LEU A 79 -2.399 -7.124 -8.265 1.00 0.00 C ATOM 1113 O LEU A 79 -2.586 -8.235 -7.797 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.353 -6.023 -6.187 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.693 -6.706 -6.547 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.867 -7.890 -5.603 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -5.847 -5.729 -6.389 1.00 0.00 C ATOM 0 H LEU A 79 -3.290 -4.191 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.332 -6.037 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.902 -6.561 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.562 -5.012 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.686 -7.040 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.805 -8.399 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.037 -8.584 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.884 -7.534 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.782 -6.226 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.892 -5.383 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.695 -4.876 -7.051 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.245 -6.862 -9.561 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.353 -7.814 -10.649 1.00 0.00 C ATOM 1130 C HIS A 80 -3.804 -8.082 -11.008 1.00 0.00 C ATOM 1131 O HIS A 80 -4.693 -8.010 -10.151 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.528 -9.059 -10.356 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.200 -9.989 -11.480 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.723 -11.222 -11.758 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.211 -9.747 -12.385 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.149 -11.648 -12.897 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.210 -10.783 -13.316 1.00 0.00 N ATOM 0 H HIS A 80 -2.029 -5.922 -9.893 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.920 -7.383 -11.552 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.587 -8.734 -9.912 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.057 -9.634 -9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.457 -8.898 -12.381 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.408 -12.564 -13.407 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.380 -10.867 -14.143 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.088 -8.325 -12.291 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.415 -8.707 -12.679 1.00 0.00 C ATOM 1146 C PRO A 81 -5.659 -10.192 -12.476 1.00 0.00 C ATOM 1147 O PRO A 81 -6.795 -10.615 -12.671 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.528 -8.342 -14.141 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.104 -8.163 -14.667 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.209 -8.389 -13.454 1.00 0.00 C ATOM 0 HA PRO A 81 -6.162 -8.198 -12.069 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.048 -9.123 -14.695 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.104 -7.425 -14.266 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.883 -8.877 -15.460 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.959 -7.167 -15.085 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.708 -9.356 -13.513 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.429 -7.629 -13.397 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.647 -10.955 -12.047 1.00 0.00 N ATOM 1156 CA ASP A 82 -4.930 -12.367 -11.720 1.00 0.00 C ATOM 1157 C ASP A 82 -5.111 -12.539 -10.212 1.00 0.00 C ATOM 1158 O ASP A 82 -4.711 -13.538 -9.620 1.00 0.00 O ATOM 1159 CB ASP A 82 -3.923 -13.317 -12.396 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.446 -14.734 -12.600 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.647 -14.875 -12.913 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.604 -15.652 -12.500 1.00 0.00 O ATOM 0 H ASP A 82 -3.682 -10.650 -11.922 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.886 -12.666 -12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.642 -12.902 -13.364 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.017 -13.359 -11.791 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.689 -11.498 -9.603 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.746 -11.337 -8.178 1.00 0.00 C ATOM 1168 C ASP A 83 -6.984 -10.474 -7.837 1.00 0.00 C ATOM 1169 O ASP A 83 -7.936 -10.959 -7.230 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.388 -10.699 -7.864 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.785 -11.204 -6.571 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.568 -11.441 -5.631 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.541 -11.364 -6.555 1.00 0.00 O ATOM 0 H ASP A 83 -6.135 -10.736 -10.114 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.878 -12.241 -7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.699 -10.901 -8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.505 -9.617 -7.806 1.00 0.00 H new ATOM 1177 N ARG A 84 -6.998 -9.241 -8.370 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.110 -8.274 -8.348 1.00 0.00 C ATOM 1179 C ARG A 84 -8.912 -8.163 -7.031 1.00 0.00 C ATOM 1180 O ARG A 84 -10.156 -8.057 -7.124 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.048 -8.524 -9.543 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.479 -8.345 -10.936 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.154 -6.869 -11.258 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.867 -6.477 -10.663 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.367 -5.261 -10.440 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.988 -4.146 -10.783 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.180 -5.143 -9.874 1.00 0.00 N ATOM 1188 OXT ARG A 84 -8.272 -8.070 -5.961 1.00 0.00 O ATOM 0 H ARG A 84 -6.183 -8.869 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.624 -7.302 -8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.427 -9.543 -9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.904 -7.857 -9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.573 -8.943 -11.034 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.192 -8.724 -11.668 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.119 -6.727 -12.338 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.947 -6.226 -10.877 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.267 -7.251 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.897 -4.189 -11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.558 -3.242 -10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.655 -5.977 -9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.788 -4.218 -9.699 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.912 8.756 6.429 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.555 11.396 8.597 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.495 11.032 4.183 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.564 6.227 4.073 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.420 6.570 8.631 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.484 10.813 6.441 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.897 11.674 7.407 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.678 13.015 6.924 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.988 12.919 5.740 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.941 11.518 5.400 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.546 14.077 4.873 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.430 14.226 7.424 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.917 14.176 7.080 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.236 14.681 5.671 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.393 13.839 4.759 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.344 15.915 5.523 1.00 0.00 O HETATM 1216 NB HEM A 201 -2.104 8.633 4.540 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.584 9.691 3.825 1.00 0.00 C HETATM 1218 C2B HEM A 201 -1.139 9.186 2.553 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.471 7.856 2.525 1.00 0.00 C HETATM 1220 C4B HEM A 201 -2.076 7.494 3.777 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.500 9.991 1.461 1.00 0.00 C HETATM 1222 CAB HEM A 201 -1.380 6.947 1.319 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.204 6.371 1.012 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.402 6.756 6.356 1.00 0.00 N HETATM 1225 C1C HEM A 201 -3.189 5.925 5.277 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.765 4.641 5.589 1.00 0.00 C HETATM 1227 C3C HEM A 201 -4.214 4.741 6.884 1.00 0.00 C HETATM 1228 C4C HEM A 201 -4.027 6.085 7.369 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.865 3.436 4.677 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.931 3.650 7.633 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.330 2.464 7.879 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.775 8.943 8.315 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.290 7.905 9.027 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.679 8.430 10.318 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.551 9.801 10.264 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.907 10.112 9.008 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.067 7.616 11.531 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.969 10.800 11.326 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.386 10.642 11.869 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.702 11.719 12.899 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.900 11.343 14.073 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.720 12.899 12.491 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.736 13.754 4.219 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.197 14.893 5.506 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.386 14.420 4.268 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.183 9.358 0.895 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.053 10.822 1.898 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.271 10.379 0.796 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.944 3.769 3.642 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.748 2.853 4.939 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.975 2.818 4.792 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -4.799 8.161 12.436 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.540 6.662 11.513 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.142 7.437 11.520 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.129 5.715 0.145 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 0.674 6.561 1.630 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.864 1.685 8.423 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.311 2.287 7.533 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.470 14.773 7.805 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.270 13.149 7.178 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.991 15.126 6.993 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.313 14.301 8.505 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.497 9.657 12.322 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.101 10.698 11.049 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -4.869 11.804 10.913 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.271 10.728 12.160 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.809 12.224 9.242 1.00 0.00 H new HETATM 0 HHB HEM A 201 -1.058 11.726 3.480 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.453 5.445 3.337 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.847 5.870 9.334 1.00 0.00 H new HETATM 0 HAB HEM A 201 -2.260 6.760 0.704 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.950 3.818 7.982 1.00 0.00 H new