USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 130:sc= 0.651 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -1.75! (180deg=-1.75!) USER MOD Set 2.1: A 49 GLN : amide:sc= -7.79! C(o=-13!,f=-21!) USER MOD Set 2.2: A 57 ASN : amide:sc= -2.61! C(o=-13!,f=-13!) USER MOD Set 2.3: A 95 HEM CMC :methyl -30:sc= -2.74 (180deg=-1.65) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -149:sc= -0.371 (180deg=-0.742) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 15 HIS : no HD1:sc= -9.78! C(o=-8.9!,f=-22!) USER MOD Set 4.2: A 20 SER OG : rot -144:sc= 0.894 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 122:sc= -2.73 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 13 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.349 USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0693 (180deg=-0.496) USER MOD Single : A 21 THR OG1 : rot 37:sc= 0.924 USER MOD Single : A 26 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=-0.16) USER MOD Single : A 27 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-4.6!) USER MOD Single : A 33 THR OG1 : rot -63:sc= -0.483 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -20:sc= 0.135 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-6.8!) USER MOD Single : A 85 SER OG : rot -17:sc= 0.178 USER MOD Single : A 86 LYS NZ :NH3+ 168:sc=-0.00312 (180deg=-0.189) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -3.01! (180deg=-6.52!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -2.05 (180deg=-2.05) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.625 12.820 -27.209 1.00 0.00 N ATOM 2 CA VAL A 4 14.322 13.895 -26.279 1.00 0.00 C ATOM 3 C VAL A 4 15.528 14.131 -25.368 1.00 0.00 C ATOM 4 O VAL A 4 16.471 13.342 -25.365 1.00 0.00 O ATOM 5 CB VAL A 4 13.042 13.573 -25.506 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.363 13.099 -24.087 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.097 14.777 -25.482 1.00 0.00 C ATOM 0 HA VAL A 4 14.135 14.824 -26.817 1.00 0.00 H new ATOM 0 HB VAL A 4 12.534 12.760 -26.024 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.436 12.877 -23.559 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.978 12.200 -24.134 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.904 13.882 -23.556 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.195 14.521 -24.926 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.593 15.619 -25.000 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.829 15.050 -26.503 1.00 0.00 H new ATOM 17 N LYS A 5 15.458 15.220 -24.617 1.00 0.00 N ATOM 18 CA LYS A 5 16.531 15.571 -23.704 1.00 0.00 C ATOM 19 C LYS A 5 16.294 14.884 -22.357 1.00 0.00 C ATOM 20 O LYS A 5 15.161 14.820 -21.881 1.00 0.00 O ATOM 21 CB LYS A 5 16.675 17.090 -23.602 1.00 0.00 C ATOM 22 CG LYS A 5 18.134 17.488 -23.367 1.00 0.00 C ATOM 23 CD LYS A 5 18.380 18.939 -23.785 1.00 0.00 C ATOM 24 CE LYS A 5 19.867 19.190 -24.043 1.00 0.00 C ATOM 25 NZ LYS A 5 20.131 20.640 -24.189 1.00 0.00 N ATOM 0 H LYS A 5 14.673 15.872 -24.623 1.00 0.00 H new ATOM 0 HA LYS A 5 17.486 15.209 -24.084 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.310 17.556 -24.517 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.056 17.464 -22.786 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.384 17.362 -22.314 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.791 16.827 -23.932 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.808 19.164 -24.685 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.024 19.612 -23.005 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.458 18.788 -23.220 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.179 18.665 -24.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.145 20.792 -24.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.582 21.014 -24.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.852 21.133 -23.317 1.00 0.00 H new ATOM 39 N TYR A 6 17.380 14.388 -21.782 1.00 0.00 N ATOM 40 CA TYR A 6 17.303 13.709 -20.500 1.00 0.00 C ATOM 41 C TYR A 6 17.563 14.681 -19.347 1.00 0.00 C ATOM 42 O TYR A 6 18.707 14.877 -18.941 1.00 0.00 O ATOM 43 CB TYR A 6 18.408 12.651 -20.517 1.00 0.00 C ATOM 44 CG TYR A 6 18.071 11.412 -21.349 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.808 10.858 -21.281 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.029 10.848 -22.168 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.491 9.693 -22.064 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.711 9.682 -22.950 1.00 0.00 C ATOM 49 CZ TYR A 6 17.458 9.161 -22.860 1.00 0.00 C ATOM 50 OH TYR A 6 17.157 8.061 -23.600 1.00 0.00 O ATOM 0 H TYR A 6 18.317 14.443 -22.180 1.00 0.00 H new ATOM 0 HA TYR A 6 16.313 13.278 -20.353 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.321 13.101 -20.907 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.617 12.342 -19.493 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.058 11.299 -20.640 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.017 11.282 -22.222 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.507 9.250 -22.021 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.451 9.231 -23.594 1.00 0.00 H new ATOM 0 HH TYR A 6 17.942 7.792 -24.121 1.00 0.00 H new ATOM 60 N TYR A 7 16.481 15.266 -18.854 1.00 0.00 N ATOM 61 CA TYR A 7 16.578 16.213 -17.757 1.00 0.00 C ATOM 62 C TYR A 7 16.254 15.541 -16.421 1.00 0.00 C ATOM 63 O TYR A 7 15.232 14.869 -16.292 1.00 0.00 O ATOM 64 CB TYR A 7 15.529 17.292 -18.038 1.00 0.00 C ATOM 65 CG TYR A 7 14.583 16.954 -19.191 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.487 16.144 -18.970 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.823 17.460 -20.452 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.596 15.826 -20.055 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.933 17.142 -21.538 1.00 0.00 C ATOM 70 CZ TYR A 7 12.863 16.340 -21.285 1.00 0.00 C ATOM 71 OH TYR A 7 12.021 16.039 -22.311 1.00 0.00 O ATOM 0 H TYR A 7 15.533 15.102 -19.194 1.00 0.00 H new ATOM 0 HA TYR A 7 17.588 16.618 -17.688 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.941 17.456 -17.135 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.038 18.230 -18.262 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.298 15.749 -17.983 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.679 18.095 -20.624 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.735 15.194 -19.896 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.110 17.531 -22.530 1.00 0.00 H new ATOM 0 HH TYR A 7 11.663 16.867 -22.694 1.00 0.00 H new ATOM 81 N THR A 8 17.144 15.744 -15.461 1.00 0.00 N ATOM 82 CA THR A 8 16.966 15.166 -14.141 1.00 0.00 C ATOM 83 C THR A 8 15.951 15.979 -13.335 1.00 0.00 C ATOM 84 O THR A 8 15.750 17.164 -13.597 1.00 0.00 O ATOM 85 CB THR A 8 18.340 15.079 -13.473 1.00 0.00 C ATOM 86 OG1 THR A 8 18.624 16.420 -13.085 1.00 0.00 O ATOM 87 CG2 THR A 8 19.452 14.735 -14.467 1.00 0.00 C ATOM 0 H THR A 8 17.991 16.301 -15.572 1.00 0.00 H new ATOM 0 HA THR A 8 16.554 14.159 -14.204 1.00 0.00 H new ATOM 0 HB THR A 8 18.313 14.328 -12.683 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.497 16.454 -12.642 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.406 14.685 -13.943 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.241 13.771 -14.929 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.501 15.504 -15.238 1.00 0.00 H new ATOM 95 N LEU A 9 15.338 15.310 -12.370 1.00 0.00 N ATOM 96 CA LEU A 9 14.348 15.955 -11.524 1.00 0.00 C ATOM 97 C LEU A 9 14.813 17.375 -11.194 1.00 0.00 C ATOM 98 O LEU A 9 13.993 18.277 -11.029 1.00 0.00 O ATOM 99 CB LEU A 9 14.058 15.100 -10.289 1.00 0.00 C ATOM 100 CG LEU A 9 13.156 13.884 -10.510 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.506 13.173 -11.819 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.210 12.936 -9.311 1.00 0.00 C ATOM 0 H LEU A 9 15.508 14.327 -12.155 1.00 0.00 H new ATOM 0 HA LEU A 9 13.398 16.044 -12.050 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.007 14.753 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.598 15.735 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 9 12.127 14.233 -10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.850 12.312 -11.952 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.375 13.862 -12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.543 12.838 -11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.560 12.080 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.233 12.590 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.875 13.461 -8.417 1.00 0.00 H new ATOM 114 N GLU A 10 16.125 17.529 -11.109 1.00 0.00 N ATOM 115 CA GLU A 10 16.709 18.823 -10.802 1.00 0.00 C ATOM 116 C GLU A 10 16.095 19.907 -11.692 1.00 0.00 C ATOM 117 O GLU A 10 16.063 21.077 -11.316 1.00 0.00 O ATOM 118 CB GLU A 10 18.231 18.788 -10.952 1.00 0.00 C ATOM 119 CG GLU A 10 18.920 19.259 -9.670 1.00 0.00 C ATOM 120 CD GLU A 10 20.353 18.729 -9.591 1.00 0.00 C ATOM 121 OE1 GLU A 10 21.030 18.766 -10.641 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.739 18.299 -8.482 1.00 0.00 O ATOM 0 H GLU A 10 16.801 16.778 -11.248 1.00 0.00 H new ATOM 0 HA GLU A 10 16.485 19.063 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.553 17.774 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.532 19.423 -11.785 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.929 20.348 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.354 18.919 -8.803 1.00 0.00 H new ATOM 129 N GLU A 11 15.624 19.477 -12.854 1.00 0.00 N ATOM 130 CA GLU A 11 15.014 20.396 -13.800 1.00 0.00 C ATOM 131 C GLU A 11 13.491 20.366 -13.659 1.00 0.00 C ATOM 132 O GLU A 11 12.864 21.401 -13.442 1.00 0.00 O ATOM 133 CB GLU A 11 15.440 20.070 -15.232 1.00 0.00 C ATOM 134 CG GLU A 11 16.929 19.725 -15.297 1.00 0.00 C ATOM 135 CD GLU A 11 17.773 20.811 -14.628 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.922 20.732 -13.390 1.00 0.00 O ATOM 137 OE2 GLU A 11 18.250 21.698 -15.370 1.00 0.00 O ATOM 0 H GLU A 11 15.653 18.505 -13.161 1.00 0.00 H new ATOM 0 HA GLU A 11 15.360 21.405 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.852 19.232 -15.608 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.232 20.922 -15.880 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.106 18.768 -14.806 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.235 19.611 -16.337 1.00 0.00 H new ATOM 144 N ILE A 12 12.940 19.168 -13.790 1.00 0.00 N ATOM 145 CA ILE A 12 11.501 18.990 -13.681 1.00 0.00 C ATOM 146 C ILE A 12 10.999 19.690 -12.416 1.00 0.00 C ATOM 147 O ILE A 12 9.927 20.290 -12.420 1.00 0.00 O ATOM 148 CB ILE A 12 11.139 17.505 -13.748 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.491 16.916 -15.115 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.668 17.284 -13.390 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.716 16.002 -15.019 1.00 0.00 C ATOM 0 H ILE A 12 13.463 18.311 -13.971 1.00 0.00 H new ATOM 0 HA ILE A 12 10.994 19.456 -14.526 1.00 0.00 H new ATOM 0 HB ILE A 12 11.735 16.974 -13.006 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.642 16.353 -15.502 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.688 17.722 -15.822 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.436 16.220 -13.445 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.482 17.644 -12.378 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.037 17.830 -14.091 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.945 15.596 -16.004 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.569 16.574 -14.655 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.507 15.184 -14.329 1.00 0.00 H new ATOM 163 N GLN A 13 11.801 19.589 -11.366 1.00 0.00 N ATOM 164 CA GLN A 13 11.451 20.205 -10.097 1.00 0.00 C ATOM 165 C GLN A 13 11.162 21.694 -10.291 1.00 0.00 C ATOM 166 O GLN A 13 10.412 22.292 -9.520 1.00 0.00 O ATOM 167 CB GLN A 13 12.556 19.991 -9.061 1.00 0.00 C ATOM 168 CG GLN A 13 12.467 18.594 -8.444 1.00 0.00 C ATOM 169 CD GLN A 13 11.075 18.340 -7.861 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.295 19.249 -7.629 1.00 0.00 O ATOM 171 NE2 GLN A 13 10.809 17.056 -7.639 1.00 0.00 N ATOM 0 H GLN A 13 12.691 19.091 -11.368 1.00 0.00 H new ATOM 0 HA GLN A 13 10.547 19.726 -9.720 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.530 20.123 -9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.475 20.744 -8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.690 17.843 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.218 18.490 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.508 16.345 -7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.906 16.782 -7.252 1.00 0.00 H new ATOM 180 N LYS A 14 11.773 22.252 -11.326 1.00 0.00 N ATOM 181 CA LYS A 14 11.591 23.662 -11.632 1.00 0.00 C ATOM 182 C LYS A 14 10.212 23.868 -12.261 1.00 0.00 C ATOM 183 O LYS A 14 9.780 25.003 -12.458 1.00 0.00 O ATOM 184 CB LYS A 14 12.745 24.176 -12.495 1.00 0.00 C ATOM 185 CG LYS A 14 13.355 25.445 -11.896 1.00 0.00 C ATOM 186 CD LYS A 14 13.460 26.552 -12.947 1.00 0.00 C ATOM 187 CE LYS A 14 14.639 27.480 -12.649 1.00 0.00 C ATOM 188 NZ LYS A 14 15.887 26.934 -13.228 1.00 0.00 N ATOM 0 H LYS A 14 12.394 21.754 -11.963 1.00 0.00 H new ATOM 0 HA LYS A 14 11.617 24.257 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.511 23.405 -12.580 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.386 24.382 -13.503 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.743 25.788 -11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.344 25.223 -11.496 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.582 26.109 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.535 27.128 -12.967 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.443 28.470 -13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.753 27.599 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.678 27.576 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.081 25.999 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.781 26.843 -14.259 1.00 0.00 H new ATOM 202 N HIS A 15 9.560 22.755 -12.559 1.00 0.00 N ATOM 203 CA HIS A 15 8.239 22.800 -13.162 1.00 0.00 C ATOM 204 C HIS A 15 7.193 22.347 -12.141 1.00 0.00 C ATOM 205 O HIS A 15 6.375 21.475 -12.430 1.00 0.00 O ATOM 206 CB HIS A 15 8.201 21.977 -14.452 1.00 0.00 C ATOM 207 CG HIS A 15 9.279 22.343 -15.444 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.030 23.102 -16.575 1.00 0.00 N ATOM 209 CD2 HIS A 15 10.611 22.050 -15.464 1.00 0.00 C ATOM 210 CE1 HIS A 15 10.167 23.250 -17.238 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.146 22.597 -16.548 1.00 0.00 N ATOM 0 H HIS A 15 9.922 21.816 -12.394 1.00 0.00 H new ATOM 0 HA HIS A 15 8.001 23.825 -13.446 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.296 20.921 -14.200 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.227 22.106 -14.925 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.141 21.470 -14.723 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.296 23.793 -18.163 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.127 22.539 -16.820 1.00 0.00 H new ATOM 219 N LYS A 16 7.253 22.962 -10.968 1.00 0.00 N ATOM 220 CA LYS A 16 6.322 22.633 -9.903 1.00 0.00 C ATOM 221 C LYS A 16 5.361 23.804 -9.692 1.00 0.00 C ATOM 222 O LYS A 16 5.198 24.285 -8.572 1.00 0.00 O ATOM 223 CB LYS A 16 7.078 22.223 -8.638 1.00 0.00 C ATOM 224 CG LYS A 16 6.111 21.762 -7.545 1.00 0.00 C ATOM 225 CD LYS A 16 6.735 21.918 -6.158 1.00 0.00 C ATOM 226 CE LYS A 16 6.239 23.195 -5.474 1.00 0.00 C ATOM 227 NZ LYS A 16 6.685 23.236 -4.064 1.00 0.00 N ATOM 0 H LYS A 16 7.932 23.686 -10.733 1.00 0.00 H new ATOM 0 HA LYS A 16 5.717 21.769 -10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.777 21.420 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.669 23.064 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.190 22.343 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.840 20.719 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.487 21.052 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.821 21.946 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.615 24.069 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.151 23.239 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.340 24.109 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.305 22.412 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.724 23.216 -4.028 1.00 0.00 H new ATOM 241 N ASP A 17 4.748 24.229 -10.787 1.00 0.00 N ATOM 242 CA ASP A 17 3.807 25.336 -10.737 1.00 0.00 C ATOM 243 C ASP A 17 2.909 25.293 -11.973 1.00 0.00 C ATOM 244 O ASP A 17 3.228 24.620 -12.954 1.00 0.00 O ATOM 245 CB ASP A 17 4.538 26.681 -10.731 1.00 0.00 C ATOM 246 CG ASP A 17 4.232 27.577 -9.529 1.00 0.00 C ATOM 247 OD1 ASP A 17 3.343 27.187 -8.742 1.00 0.00 O ATOM 248 OD2 ASP A 17 4.895 28.631 -9.424 1.00 0.00 O ATOM 0 H ASP A 17 4.884 23.827 -11.714 1.00 0.00 H new ATOM 0 HA ASP A 17 3.222 25.239 -9.823 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.611 26.494 -10.762 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.282 27.221 -11.642 1.00 0.00 H new ATOM 253 N SER A 18 1.803 26.018 -11.889 1.00 0.00 N ATOM 254 CA SER A 18 0.856 26.070 -12.990 1.00 0.00 C ATOM 255 C SER A 18 1.586 26.400 -14.293 1.00 0.00 C ATOM 256 O SER A 18 1.405 25.718 -15.300 1.00 0.00 O ATOM 257 CB SER A 18 -0.243 27.100 -12.721 1.00 0.00 C ATOM 258 OG SER A 18 0.185 28.427 -13.013 1.00 0.00 O ATOM 0 H SER A 18 1.541 26.574 -11.075 1.00 0.00 H new ATOM 0 HA SER A 18 0.385 25.091 -13.084 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.119 26.861 -13.324 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.549 27.039 -11.676 1.00 0.00 H new ATOM 0 HG SER A 18 -0.545 29.054 -12.830 1.00 0.00 H new ATOM 264 N LYS A 19 2.395 27.447 -14.232 1.00 0.00 N ATOM 265 CA LYS A 19 3.153 27.876 -15.394 1.00 0.00 C ATOM 266 C LYS A 19 3.818 26.660 -16.042 1.00 0.00 C ATOM 267 O LYS A 19 3.759 26.490 -17.258 1.00 0.00 O ATOM 268 CB LYS A 19 4.137 28.984 -15.015 1.00 0.00 C ATOM 269 CG LYS A 19 3.855 30.263 -15.805 1.00 0.00 C ATOM 270 CD LYS A 19 4.141 30.062 -17.295 1.00 0.00 C ATOM 271 CE LYS A 19 5.637 29.859 -17.542 1.00 0.00 C ATOM 272 NZ LYS A 19 6.399 31.056 -17.120 1.00 0.00 N ATOM 0 H LYS A 19 2.542 28.011 -13.395 1.00 0.00 H new ATOM 0 HA LYS A 19 2.489 28.313 -16.140 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.065 29.189 -13.947 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.157 28.651 -15.208 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.815 30.558 -15.667 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.470 31.076 -15.419 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.587 29.198 -17.662 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.790 30.928 -17.857 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.987 28.985 -16.992 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.814 29.662 -18.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.335 31.049 -17.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.884 31.914 -17.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.514 31.048 -16.086 1.00 0.00 H new ATOM 286 N SER A 20 4.435 25.845 -15.199 1.00 0.00 N ATOM 287 CA SER A 20 5.111 24.649 -15.674 1.00 0.00 C ATOM 288 C SER A 20 4.862 23.489 -14.708 1.00 0.00 C ATOM 289 O SER A 20 5.310 23.524 -13.563 1.00 0.00 O ATOM 290 CB SER A 20 6.612 24.892 -15.837 1.00 0.00 C ATOM 291 OG SER A 20 7.051 24.648 -17.170 1.00 0.00 O ATOM 0 H SER A 20 4.481 25.989 -14.190 1.00 0.00 H new ATOM 0 HA SER A 20 4.705 24.392 -16.652 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.845 25.921 -15.561 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.160 24.246 -15.151 1.00 0.00 H new ATOM 0 HG SER A 20 7.946 24.249 -17.152 1.00 0.00 H new ATOM 297 N THR A 21 4.149 22.489 -15.205 1.00 0.00 N ATOM 298 CA THR A 21 3.834 21.321 -14.399 1.00 0.00 C ATOM 299 C THR A 21 4.034 20.042 -15.215 1.00 0.00 C ATOM 300 O THR A 21 3.337 19.817 -16.204 1.00 0.00 O ATOM 301 CB THR A 21 2.411 21.485 -13.863 1.00 0.00 C ATOM 302 OG1 THR A 21 2.572 22.273 -12.687 1.00 0.00 O ATOM 303 CG2 THR A 21 1.823 20.167 -13.351 1.00 0.00 C ATOM 0 H THR A 21 3.780 22.463 -16.156 1.00 0.00 H new ATOM 0 HA THR A 21 4.508 21.234 -13.547 1.00 0.00 H new ATOM 0 HB THR A 21 1.771 21.888 -14.648 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.283 22.932 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.812 20.339 -12.982 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.794 19.441 -14.164 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.444 19.781 -12.542 1.00 0.00 H new ATOM 311 N TRP A 22 4.987 19.237 -14.771 1.00 0.00 N ATOM 312 CA TRP A 22 5.286 17.986 -15.447 1.00 0.00 C ATOM 313 C TRP A 22 4.934 16.839 -14.498 1.00 0.00 C ATOM 314 O TRP A 22 4.562 17.071 -13.349 1.00 0.00 O ATOM 315 CB TRP A 22 6.743 17.950 -15.915 1.00 0.00 C ATOM 316 CG TRP A 22 7.127 19.103 -16.843 1.00 0.00 C ATOM 317 CD1 TRP A 22 6.321 20.018 -17.402 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.456 19.433 -17.300 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.030 20.907 -18.182 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.369 20.541 -18.119 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.690 18.815 -17.032 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.481 21.127 -18.735 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.792 19.413 -17.656 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.721 20.528 -18.483 1.00 0.00 C ATOM 0 H TRP A 22 5.563 19.427 -13.951 1.00 0.00 H new ATOM 0 HA TRP A 22 4.687 17.884 -16.352 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.395 17.968 -15.042 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.925 17.007 -16.430 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.251 20.054 -17.259 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.643 21.690 -18.709 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.781 17.948 -16.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.387 21.995 -19.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.765 18.977 -17.483 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.618 20.930 -18.929 1.00 0.00 H new ATOM 335 N VAL A 23 5.065 15.626 -15.014 1.00 0.00 N ATOM 336 CA VAL A 23 4.765 14.442 -14.226 1.00 0.00 C ATOM 337 C VAL A 23 5.500 13.239 -14.821 1.00 0.00 C ATOM 338 O VAL A 23 5.044 12.649 -15.799 1.00 0.00 O ATOM 339 CB VAL A 23 3.251 14.237 -14.145 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.564 15.458 -13.530 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.667 13.913 -15.522 1.00 0.00 C ATOM 0 H VAL A 23 5.375 15.437 -15.967 1.00 0.00 H new ATOM 0 HA VAL A 23 5.118 14.565 -13.202 1.00 0.00 H new ATOM 0 HB VAL A 23 3.063 13.384 -13.493 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.489 15.286 -13.484 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.948 15.623 -12.523 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.765 16.336 -14.144 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.590 13.772 -15.436 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.872 14.736 -16.207 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.123 13.000 -15.905 1.00 0.00 H new ATOM 351 N ILE A 24 6.627 12.911 -14.206 1.00 0.00 N ATOM 352 CA ILE A 24 7.430 11.790 -14.662 1.00 0.00 C ATOM 353 C ILE A 24 6.684 10.484 -14.377 1.00 0.00 C ATOM 354 O ILE A 24 6.694 9.994 -13.250 1.00 0.00 O ATOM 355 CB ILE A 24 8.829 11.846 -14.045 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.637 10.598 -14.405 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.753 12.064 -12.533 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.716 10.413 -15.921 1.00 0.00 C ATOM 0 H ILE A 24 7.003 13.403 -13.395 1.00 0.00 H new ATOM 0 HA ILE A 24 7.580 11.843 -15.740 1.00 0.00 H new ATOM 0 HB ILE A 24 9.355 12.702 -14.467 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.643 10.680 -13.992 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.177 9.720 -13.952 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.761 12.100 -12.119 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.242 13.004 -12.326 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.202 11.243 -12.074 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.296 9.519 -16.149 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.710 10.307 -16.327 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.198 11.282 -16.369 1.00 0.00 H new ATOM 370 N LEU A 25 6.055 9.960 -15.418 1.00 0.00 N ATOM 371 CA LEU A 25 5.305 8.721 -15.294 1.00 0.00 C ATOM 372 C LEU A 25 5.911 7.668 -16.224 1.00 0.00 C ATOM 373 O LEU A 25 6.231 7.961 -17.374 1.00 0.00 O ATOM 374 CB LEU A 25 3.815 8.970 -15.536 1.00 0.00 C ATOM 375 CG LEU A 25 3.444 9.549 -16.903 1.00 0.00 C ATOM 376 CD1 LEU A 25 3.218 8.435 -17.926 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.236 10.482 -16.794 1.00 0.00 C ATOM 0 H LEU A 25 6.049 10.370 -16.352 1.00 0.00 H new ATOM 0 HA LEU A 25 5.379 8.331 -14.279 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.284 8.027 -15.407 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.451 9.649 -14.765 1.00 0.00 H new ATOM 0 HG LEU A 25 4.282 10.148 -17.259 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.956 8.873 -18.889 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.130 7.847 -18.031 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.407 7.790 -17.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.993 10.880 -17.779 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.382 9.927 -16.406 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.471 11.305 -16.119 1.00 0.00 H new ATOM 389 N HIS A 26 6.050 6.464 -15.689 1.00 0.00 N ATOM 390 CA HIS A 26 6.612 5.365 -16.457 1.00 0.00 C ATOM 391 C HIS A 26 7.870 5.840 -17.187 1.00 0.00 C ATOM 392 O HIS A 26 7.997 5.655 -18.396 1.00 0.00 O ATOM 393 CB HIS A 26 5.566 4.771 -17.403 1.00 0.00 C ATOM 394 CG HIS A 26 4.707 3.701 -16.773 1.00 0.00 C ATOM 395 ND1 HIS A 26 5.234 2.562 -16.191 1.00 0.00 N ATOM 396 CD2 HIS A 26 3.353 3.609 -16.641 1.00 0.00 C ATOM 397 CE1 HIS A 26 4.234 1.824 -15.733 1.00 0.00 C ATOM 398 NE2 HIS A 26 3.068 2.475 -16.012 1.00 0.00 N ATOM 0 H HIS A 26 5.784 6.225 -14.734 1.00 0.00 H new ATOM 0 HA HIS A 26 6.906 4.560 -15.784 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.922 5.572 -17.766 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.073 4.351 -18.272 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.634 4.336 -16.989 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.326 0.874 -15.228 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.132 2.145 -15.776 1.00 0.00 H new ATOM 406 N HIS A 27 8.767 6.444 -16.422 1.00 0.00 N ATOM 407 CA HIS A 27 10.010 6.946 -16.982 1.00 0.00 C ATOM 408 C HIS A 27 9.706 7.860 -18.170 1.00 0.00 C ATOM 409 O HIS A 27 10.516 7.980 -19.088 1.00 0.00 O ATOM 410 CB HIS A 27 10.948 5.794 -17.344 1.00 0.00 C ATOM 411 CG HIS A 27 10.502 4.993 -18.544 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.834 3.785 -18.434 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.632 5.239 -19.879 1.00 0.00 C ATOM 414 CE1 HIS A 27 9.581 3.334 -19.653 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.076 4.237 -20.547 1.00 0.00 N ATOM 0 H HIS A 27 8.658 6.597 -15.419 1.00 0.00 H new ATOM 0 HA HIS A 27 10.534 7.542 -16.235 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.943 6.196 -17.537 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.035 5.127 -16.487 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.107 6.104 -20.318 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.072 2.413 -19.896 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.027 4.155 -21.563 1.00 0.00 H new ATOM 423 N LYS A 28 8.537 8.479 -18.114 1.00 0.00 N ATOM 424 CA LYS A 28 8.114 9.379 -19.176 1.00 0.00 C ATOM 425 C LYS A 28 7.403 10.586 -18.562 1.00 0.00 C ATOM 426 O LYS A 28 6.292 10.462 -18.050 1.00 0.00 O ATOM 427 CB LYS A 28 7.274 8.629 -20.211 1.00 0.00 C ATOM 428 CG LYS A 28 8.067 7.478 -20.833 1.00 0.00 C ATOM 429 CD LYS A 28 9.145 8.006 -21.782 1.00 0.00 C ATOM 430 CE LYS A 28 8.558 9.010 -22.775 1.00 0.00 C ATOM 431 NZ LYS A 28 7.324 8.470 -23.390 1.00 0.00 N ATOM 0 H LYS A 28 7.868 8.376 -17.351 1.00 0.00 H new ATOM 0 HA LYS A 28 8.978 9.761 -19.719 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.372 8.240 -19.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.953 9.318 -20.992 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.530 6.883 -20.046 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.391 6.817 -21.376 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.940 8.481 -21.207 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.596 7.175 -22.324 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.337 9.948 -22.265 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.290 9.234 -23.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.227 8.841 -24.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.377 7.432 -23.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.500 8.757 -22.824 1.00 0.00 H new ATOM 445 N VAL A 29 8.072 11.726 -18.635 1.00 0.00 N ATOM 446 CA VAL A 29 7.517 12.956 -18.094 1.00 0.00 C ATOM 447 C VAL A 29 6.680 13.650 -19.170 1.00 0.00 C ATOM 448 O VAL A 29 7.075 13.696 -20.334 1.00 0.00 O ATOM 449 CB VAL A 29 8.640 13.840 -17.546 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.619 14.233 -18.654 1.00 0.00 C ATOM 451 CG2 VAL A 29 8.072 15.079 -16.850 1.00 0.00 C ATOM 0 H VAL A 29 8.994 11.825 -19.061 1.00 0.00 H new ATOM 0 HA VAL A 29 6.854 12.740 -17.256 1.00 0.00 H new ATOM 0 HB VAL A 29 9.190 13.262 -16.804 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.407 14.861 -18.238 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.061 13.334 -19.085 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.088 14.784 -19.430 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.891 15.690 -16.470 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.486 15.660 -17.562 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.434 14.771 -16.022 1.00 0.00 H new ATOM 461 N TYR A 30 5.540 14.174 -18.742 1.00 0.00 N ATOM 462 CA TYR A 30 4.645 14.864 -19.654 1.00 0.00 C ATOM 463 C TYR A 30 4.357 16.286 -19.169 1.00 0.00 C ATOM 464 O TYR A 30 4.278 16.531 -17.966 1.00 0.00 O ATOM 465 CB TYR A 30 3.342 14.062 -19.652 1.00 0.00 C ATOM 466 CG TYR A 30 3.446 12.703 -20.347 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.354 11.767 -19.898 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.632 12.414 -21.423 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.453 10.487 -20.551 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.730 11.135 -22.077 1.00 0.00 C ATOM 471 CZ TYR A 30 3.635 10.234 -21.609 1.00 0.00 C ATOM 472 OH TYR A 30 3.728 9.027 -22.226 1.00 0.00 O ATOM 0 H TYR A 30 5.216 14.134 -17.776 1.00 0.00 H new ATOM 0 HA TYR A 30 5.089 14.937 -20.647 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.024 13.908 -18.621 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.565 14.650 -20.141 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.991 11.994 -19.056 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.921 13.147 -21.775 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.160 9.745 -20.209 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.099 10.896 -22.920 1.00 0.00 H new ATOM 0 HH TYR A 30 3.084 8.986 -22.963 1.00 0.00 H new ATOM 482 N ASP A 31 4.206 17.185 -20.129 1.00 0.00 N ATOM 483 CA ASP A 31 3.928 18.576 -19.815 1.00 0.00 C ATOM 484 C ASP A 31 2.423 18.829 -19.927 1.00 0.00 C ATOM 485 O ASP A 31 1.902 19.014 -21.025 1.00 0.00 O ATOM 486 CB ASP A 31 4.639 19.515 -20.791 1.00 0.00 C ATOM 487 CG ASP A 31 4.157 20.967 -20.761 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.341 21.604 -19.701 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.615 21.406 -21.798 1.00 0.00 O ATOM 0 H ASP A 31 4.271 16.978 -21.126 1.00 0.00 H new ATOM 0 HA ASP A 31 4.285 18.770 -18.804 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.707 19.498 -20.574 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.513 19.127 -21.802 1.00 0.00 H new ATOM 494 N LEU A 32 1.768 18.829 -18.776 1.00 0.00 N ATOM 495 CA LEU A 32 0.334 19.056 -18.731 1.00 0.00 C ATOM 496 C LEU A 32 0.064 20.541 -18.471 1.00 0.00 C ATOM 497 O LEU A 32 -1.087 20.972 -18.456 1.00 0.00 O ATOM 498 CB LEU A 32 -0.325 18.124 -17.711 1.00 0.00 C ATOM 499 CG LEU A 32 0.050 16.644 -17.816 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.311 16.083 -19.192 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.526 16.428 -17.478 1.00 0.00 C ATOM 0 H LEU A 32 2.204 18.675 -17.867 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.120 18.812 -19.692 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.069 18.473 -16.711 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.407 18.213 -17.813 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.533 16.091 -17.080 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.034 15.030 -19.240 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.384 16.184 -19.356 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.227 16.635 -19.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.767 15.368 -17.560 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.145 16.996 -18.173 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.719 16.766 -16.460 1.00 0.00 H new ATOM 513 N THR A 33 1.146 21.279 -18.274 1.00 0.00 N ATOM 514 CA THR A 33 1.040 22.706 -18.015 1.00 0.00 C ATOM 515 C THR A 33 0.198 23.382 -19.099 1.00 0.00 C ATOM 516 O THR A 33 -0.293 24.493 -18.905 1.00 0.00 O ATOM 517 CB THR A 33 2.457 23.272 -17.904 1.00 0.00 C ATOM 518 OG1 THR A 33 2.446 23.993 -16.675 1.00 0.00 O ATOM 519 CG2 THR A 33 2.746 24.340 -18.961 1.00 0.00 C ATOM 0 H THR A 33 2.100 20.917 -18.288 1.00 0.00 H new ATOM 0 HA THR A 33 0.522 22.902 -17.076 1.00 0.00 H new ATOM 0 HB THR A 33 3.180 22.462 -18.000 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.799 24.727 -16.732 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.764 24.708 -18.837 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.635 23.907 -19.955 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.045 25.166 -18.844 1.00 0.00 H new ATOM 527 N LYS A 34 0.059 22.685 -20.217 1.00 0.00 N ATOM 528 CA LYS A 34 -0.715 23.205 -21.332 1.00 0.00 C ATOM 529 C LYS A 34 -2.172 22.761 -21.188 1.00 0.00 C ATOM 530 O LYS A 34 -3.076 23.593 -21.149 1.00 0.00 O ATOM 531 CB LYS A 34 -0.077 22.799 -22.662 1.00 0.00 C ATOM 532 CG LYS A 34 -0.833 23.412 -23.842 1.00 0.00 C ATOM 533 CD LYS A 34 -0.016 24.526 -24.500 1.00 0.00 C ATOM 534 CE LYS A 34 -0.921 25.489 -25.269 1.00 0.00 C ATOM 535 NZ LYS A 34 -0.893 26.833 -24.649 1.00 0.00 N ATOM 0 H LYS A 34 0.469 21.765 -20.375 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.712 24.295 -21.322 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.964 23.123 -22.684 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.075 21.713 -22.752 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.056 22.638 -24.576 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.788 23.811 -23.499 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.539 25.073 -23.738 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.718 24.091 -25.178 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.594 25.554 -26.307 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.942 25.108 -25.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.513 27.475 -25.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.226 26.769 -23.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.080 27.201 -24.662 1.00 0.00 H new ATOM 549 N PHE A 35 -2.352 21.451 -21.111 1.00 0.00 N ATOM 550 CA PHE A 35 -3.685 20.887 -20.971 1.00 0.00 C ATOM 551 C PHE A 35 -4.072 20.755 -19.496 1.00 0.00 C ATOM 552 O PHE A 35 -4.955 19.972 -19.151 1.00 0.00 O ATOM 553 CB PHE A 35 -3.648 19.493 -21.603 1.00 0.00 C ATOM 554 CG PHE A 35 -3.963 18.359 -20.627 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.093 18.061 -19.625 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.116 17.648 -20.760 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.386 17.008 -18.719 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.409 16.595 -19.854 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.538 16.297 -18.852 1.00 0.00 C ATOM 0 H PHE A 35 -1.599 20.764 -21.143 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.417 21.534 -21.454 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.362 19.459 -22.426 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.660 19.326 -22.032 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.179 18.626 -19.518 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.808 17.885 -21.555 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.694 16.771 -17.924 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.323 16.030 -19.960 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.761 15.496 -18.163 1.00 0.00 H new ATOM 569 N LEU A 36 -3.393 21.533 -18.667 1.00 0.00 N ATOM 570 CA LEU A 36 -3.655 21.513 -17.238 1.00 0.00 C ATOM 571 C LEU A 36 -5.106 21.926 -16.984 1.00 0.00 C ATOM 572 O LEU A 36 -5.783 21.340 -16.141 1.00 0.00 O ATOM 573 CB LEU A 36 -2.632 22.373 -16.493 1.00 0.00 C ATOM 574 CG LEU A 36 -2.093 21.792 -15.185 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.582 22.004 -15.071 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.844 22.363 -13.980 1.00 0.00 C ATOM 0 H LEU A 36 -2.661 22.182 -18.957 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.536 20.504 -16.844 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.790 22.559 -17.159 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.088 23.340 -16.278 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.267 20.716 -15.193 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.225 21.581 -14.132 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.081 21.511 -15.904 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.361 23.071 -15.096 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.441 21.933 -13.063 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.724 23.446 -13.956 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.903 22.117 -14.061 1.00 0.00 H new ATOM 588 N GLU A 37 -5.541 22.930 -17.731 1.00 0.00 N ATOM 589 CA GLU A 37 -6.899 23.427 -17.598 1.00 0.00 C ATOM 590 C GLU A 37 -7.863 22.565 -18.415 1.00 0.00 C ATOM 591 O GLU A 37 -9.072 22.594 -18.188 1.00 0.00 O ATOM 592 CB GLU A 37 -6.989 24.897 -18.016 1.00 0.00 C ATOM 593 CG GLU A 37 -8.181 25.586 -17.350 1.00 0.00 C ATOM 594 CD GLU A 37 -8.966 26.424 -18.361 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.333 27.311 -18.975 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.180 26.160 -18.497 1.00 0.00 O ATOM 0 H GLU A 37 -4.977 23.413 -18.430 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.186 23.363 -16.549 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.068 25.413 -17.744 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.084 24.965 -19.100 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.837 24.837 -16.906 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.830 26.224 -16.539 1.00 0.00 H new ATOM 603 N GLU A 38 -7.292 21.818 -19.347 1.00 0.00 N ATOM 604 CA GLU A 38 -8.086 20.949 -20.200 1.00 0.00 C ATOM 605 C GLU A 38 -8.293 19.591 -19.526 1.00 0.00 C ATOM 606 O GLU A 38 -9.020 18.742 -20.041 1.00 0.00 O ATOM 607 CB GLU A 38 -7.435 20.785 -21.574 1.00 0.00 C ATOM 608 CG GLU A 38 -8.004 21.795 -22.573 1.00 0.00 C ATOM 609 CD GLU A 38 -9.474 21.498 -22.876 1.00 0.00 C ATOM 610 OE1 GLU A 38 -10.323 21.984 -22.098 1.00 0.00 O ATOM 611 OE2 GLU A 38 -9.716 20.792 -23.879 1.00 0.00 O ATOM 0 H GLU A 38 -6.289 21.796 -19.531 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.061 21.412 -20.350 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.357 20.920 -21.488 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.601 19.772 -21.941 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.909 22.803 -22.170 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.425 21.764 -23.496 1.00 0.00 H new ATOM 618 N HIS A 39 -7.640 19.426 -18.385 1.00 0.00 N ATOM 619 CA HIS A 39 -7.744 18.186 -17.635 1.00 0.00 C ATOM 620 C HIS A 39 -8.967 18.241 -16.718 1.00 0.00 C ATOM 621 O HIS A 39 -9.152 19.210 -15.982 1.00 0.00 O ATOM 622 CB HIS A 39 -6.446 17.899 -16.877 1.00 0.00 C ATOM 623 CG HIS A 39 -6.421 16.555 -16.190 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.280 16.416 -14.820 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.520 15.292 -16.696 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.294 15.124 -14.527 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.443 14.429 -15.691 1.00 0.00 N ATOM 0 H HIS A 39 -7.037 20.131 -17.962 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.887 17.352 -18.322 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.610 17.955 -17.574 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.292 18.679 -16.132 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.182 17.179 -14.150 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.641 15.037 -17.739 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.203 14.696 -13.540 1.00 0.00 H new ATOM 635 N PRO A 40 -9.791 17.161 -16.791 1.00 0.00 N ATOM 636 CA PRO A 40 -10.990 17.078 -15.976 1.00 0.00 C ATOM 637 C PRO A 40 -10.643 16.756 -14.521 1.00 0.00 C ATOM 638 O PRO A 40 -11.525 16.710 -13.664 1.00 0.00 O ATOM 639 CB PRO A 40 -11.839 16.004 -16.635 1.00 0.00 C ATOM 640 CG PRO A 40 -10.892 15.204 -17.514 1.00 0.00 C ATOM 641 CD PRO A 40 -9.602 15.996 -17.650 1.00 0.00 C ATOM 0 HA PRO A 40 -11.532 18.022 -15.928 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.311 15.366 -15.888 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.640 16.448 -17.227 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.695 14.227 -17.073 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.337 15.028 -18.493 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.741 15.407 -17.335 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.425 16.291 -18.684 1.00 0.00 H new ATOM 649 N GLY A 41 -9.356 16.542 -14.287 1.00 0.00 N ATOM 650 CA GLY A 41 -8.882 16.226 -12.950 1.00 0.00 C ATOM 651 C GLY A 41 -9.040 17.427 -12.015 1.00 0.00 C ATOM 652 O GLY A 41 -9.991 17.493 -11.238 1.00 0.00 O ATOM 0 H GLY A 41 -8.628 16.581 -15.000 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.439 15.377 -12.554 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.834 15.929 -12.992 1.00 0.00 H new ATOM 656 N GLY A 42 -8.091 18.347 -12.119 1.00 0.00 N ATOM 657 CA GLY A 42 -8.113 19.541 -11.291 1.00 0.00 C ATOM 658 C GLY A 42 -7.001 20.510 -11.698 1.00 0.00 C ATOM 659 O GLY A 42 -6.391 20.353 -12.755 1.00 0.00 O ATOM 0 H GLY A 42 -7.303 18.289 -12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.081 20.034 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.994 19.264 -10.244 1.00 0.00 H new ATOM 663 N GLU A 43 -6.770 21.491 -10.837 1.00 0.00 N ATOM 664 CA GLU A 43 -5.742 22.486 -11.093 1.00 0.00 C ATOM 665 C GLU A 43 -4.729 22.510 -9.947 1.00 0.00 C ATOM 666 O GLU A 43 -3.677 23.136 -10.056 1.00 0.00 O ATOM 667 CB GLU A 43 -6.359 23.868 -11.309 1.00 0.00 C ATOM 668 CG GLU A 43 -5.366 24.974 -10.947 1.00 0.00 C ATOM 669 CD GLU A 43 -6.007 26.356 -11.092 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.187 26.778 -12.254 1.00 0.00 O ATOM 671 OE2 GLU A 43 -6.303 26.958 -10.037 1.00 0.00 O ATOM 0 H GLU A 43 -7.277 21.618 -9.961 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.218 22.212 -12.009 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.665 23.975 -12.350 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.258 23.968 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.020 24.836 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.490 24.906 -11.592 1.00 0.00 H new ATOM 678 N GLU A 44 -5.085 21.820 -8.872 1.00 0.00 N ATOM 679 CA GLU A 44 -4.219 21.755 -7.706 1.00 0.00 C ATOM 680 C GLU A 44 -3.821 20.305 -7.421 1.00 0.00 C ATOM 681 O GLU A 44 -3.058 20.038 -6.493 1.00 0.00 O ATOM 682 CB GLU A 44 -4.894 22.387 -6.487 1.00 0.00 C ATOM 683 CG GLU A 44 -6.086 21.548 -6.024 1.00 0.00 C ATOM 684 CD GLU A 44 -7.406 22.173 -6.481 1.00 0.00 C ATOM 685 OE1 GLU A 44 -7.451 22.613 -7.651 1.00 0.00 O ATOM 686 OE2 GLU A 44 -8.341 22.196 -5.651 1.00 0.00 O ATOM 0 H GLU A 44 -5.959 21.302 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.314 22.325 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.173 22.480 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.228 23.395 -6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.001 20.537 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.076 21.464 -4.937 1.00 0.00 H new ATOM 693 N VAL A 45 -4.354 19.407 -8.237 1.00 0.00 N ATOM 694 CA VAL A 45 -4.063 17.992 -8.084 1.00 0.00 C ATOM 695 C VAL A 45 -3.003 17.580 -9.107 1.00 0.00 C ATOM 696 O VAL A 45 -2.232 16.652 -8.867 1.00 0.00 O ATOM 697 CB VAL A 45 -5.354 17.177 -8.199 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.404 17.928 -9.020 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.077 15.795 -8.795 1.00 0.00 C ATOM 0 H VAL A 45 -4.985 19.632 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.654 17.791 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.753 17.035 -7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.311 17.328 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.632 18.878 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.018 18.114 -10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.010 15.236 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.645 15.908 -9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.379 15.256 -8.155 1.00 0.00 H new ATOM 709 N LEU A 46 -2.998 18.291 -10.225 1.00 0.00 N ATOM 710 CA LEU A 46 -2.044 18.011 -11.285 1.00 0.00 C ATOM 711 C LEU A 46 -0.678 18.583 -10.900 1.00 0.00 C ATOM 712 O LEU A 46 0.357 18.025 -11.263 1.00 0.00 O ATOM 713 CB LEU A 46 -2.570 18.523 -12.627 1.00 0.00 C ATOM 714 CG LEU A 46 -4.091 18.533 -12.793 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.486 18.980 -14.202 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.691 17.173 -12.434 1.00 0.00 C ATOM 0 H LEU A 46 -3.639 19.060 -10.420 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.916 16.936 -11.409 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.202 19.538 -12.775 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.142 17.910 -13.420 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.506 19.261 -12.096 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.572 18.978 -14.293 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.108 19.986 -14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.059 18.294 -14.934 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.773 17.208 -12.561 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.274 16.407 -13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.455 16.933 -11.397 1.00 0.00 H new ATOM 728 N ARG A 47 -0.719 19.688 -10.171 1.00 0.00 N ATOM 729 CA ARG A 47 0.503 20.342 -9.734 1.00 0.00 C ATOM 730 C ARG A 47 0.962 19.765 -8.392 1.00 0.00 C ATOM 731 O ARG A 47 2.133 19.875 -8.034 1.00 0.00 O ATOM 732 CB ARG A 47 0.299 21.851 -9.590 1.00 0.00 C ATOM 733 CG ARG A 47 -1.092 22.167 -9.037 1.00 0.00 C ATOM 734 CD ARG A 47 -1.163 23.605 -8.521 1.00 0.00 C ATOM 735 NE ARG A 47 -1.323 23.608 -7.050 1.00 0.00 N ATOM 736 CZ ARG A 47 -0.302 23.638 -6.183 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.959 23.668 -6.634 1.00 0.00 N ATOM 738 NH2 ARG A 47 -0.542 23.639 -4.864 1.00 0.00 N ATOM 0 H ARG A 47 -1.579 20.147 -9.872 1.00 0.00 H new ATOM 0 HA ARG A 47 1.266 20.161 -10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.060 22.263 -8.927 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.427 22.333 -10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.839 22.019 -9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.332 21.475 -8.230 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.257 24.144 -8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.999 24.126 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.270 23.586 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.142 23.668 -7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.736 23.691 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.502 23.617 -4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.236 23.662 -4.204 1.00 0.00 H new ATOM 752 N GLU A 48 0.014 19.166 -7.687 1.00 0.00 N ATOM 753 CA GLU A 48 0.306 18.573 -6.393 1.00 0.00 C ATOM 754 C GLU A 48 1.311 17.430 -6.547 1.00 0.00 C ATOM 755 O GLU A 48 1.869 16.952 -5.562 1.00 0.00 O ATOM 756 CB GLU A 48 -0.975 18.088 -5.711 1.00 0.00 C ATOM 757 CG GLU A 48 -1.164 18.769 -4.354 1.00 0.00 C ATOM 758 CD GLU A 48 0.026 18.496 -3.432 1.00 0.00 C ATOM 759 OE1 GLU A 48 -0.039 17.480 -2.707 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.974 19.310 -3.475 1.00 0.00 O ATOM 0 H GLU A 48 -0.957 19.078 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 48 0.751 19.338 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.833 18.297 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.933 17.007 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.280 19.844 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.081 18.409 -3.887 1.00 0.00 H new ATOM 767 N GLN A 49 1.510 17.024 -7.793 1.00 0.00 N ATOM 768 CA GLN A 49 2.439 15.947 -8.089 1.00 0.00 C ATOM 769 C GLN A 49 3.306 16.309 -9.296 1.00 0.00 C ATOM 770 O GLN A 49 3.567 15.468 -10.154 1.00 0.00 O ATOM 771 CB GLN A 49 1.695 14.631 -8.325 1.00 0.00 C ATOM 772 CG GLN A 49 0.346 14.626 -7.601 1.00 0.00 C ATOM 773 CD GLN A 49 -0.516 13.446 -8.054 1.00 0.00 C ATOM 774 OE1 GLN A 49 -0.912 12.598 -7.271 1.00 0.00 O ATOM 775 NE2 GLN A 49 -0.781 13.438 -9.357 1.00 0.00 N ATOM 0 H GLN A 49 1.044 17.422 -8.608 1.00 0.00 H new ATOM 0 HA GLN A 49 3.091 15.809 -7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.539 14.484 -9.394 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.303 13.797 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.507 14.571 -6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.179 15.561 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.418 14.179 -9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.348 12.690 -9.758 1.00 0.00 H new ATOM 784 N ALA A 50 3.730 17.564 -9.324 1.00 0.00 N ATOM 785 CA ALA A 50 4.562 18.049 -10.412 1.00 0.00 C ATOM 786 C ALA A 50 6.010 18.164 -9.929 1.00 0.00 C ATOM 787 O ALA A 50 6.585 19.251 -9.933 1.00 0.00 O ATOM 788 CB ALA A 50 4.011 19.382 -10.922 1.00 0.00 C ATOM 0 H ALA A 50 3.513 18.260 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 50 4.547 17.349 -11.247 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.635 19.745 -11.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.991 19.241 -11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.013 20.111 -10.111 1.00 0.00 H new ATOM 794 N GLY A 51 6.556 17.027 -9.524 1.00 0.00 N ATOM 795 CA GLY A 51 7.925 16.986 -9.039 1.00 0.00 C ATOM 796 C GLY A 51 8.400 15.542 -8.861 1.00 0.00 C ATOM 797 O GLY A 51 9.558 15.229 -9.132 1.00 0.00 O ATOM 0 H GLY A 51 6.075 16.127 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.579 17.504 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.994 17.515 -8.089 1.00 0.00 H new ATOM 801 N GLY A 52 7.482 14.701 -8.407 1.00 0.00 N ATOM 802 CA GLY A 52 7.793 13.299 -8.190 1.00 0.00 C ATOM 803 C GLY A 52 7.158 12.422 -9.272 1.00 0.00 C ATOM 804 O GLY A 52 7.168 12.779 -10.449 1.00 0.00 O ATOM 0 H GLY A 52 6.522 14.964 -8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.874 13.158 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.432 12.990 -7.209 1.00 0.00 H new ATOM 808 N ASP A 53 6.619 11.295 -8.833 1.00 0.00 N ATOM 809 CA ASP A 53 5.980 10.365 -9.750 1.00 0.00 C ATOM 810 C ASP A 53 4.469 10.378 -9.511 1.00 0.00 C ATOM 811 O ASP A 53 4.004 10.012 -8.434 1.00 0.00 O ATOM 812 CB ASP A 53 6.482 8.938 -9.525 1.00 0.00 C ATOM 813 CG ASP A 53 5.924 8.245 -8.280 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.845 8.928 -7.237 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.589 7.046 -8.400 1.00 0.00 O ATOM 0 H ASP A 53 6.611 11.004 -7.855 1.00 0.00 H new ATOM 0 HA ASP A 53 6.220 10.675 -10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.230 8.338 -10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.570 8.958 -9.454 1.00 0.00 H new ATOM 820 N ALA A 54 3.744 10.804 -10.536 1.00 0.00 N ATOM 821 CA ALA A 54 2.296 10.869 -10.450 1.00 0.00 C ATOM 822 C ALA A 54 1.698 9.564 -10.982 1.00 0.00 C ATOM 823 O ALA A 54 0.510 9.301 -10.797 1.00 0.00 O ATOM 824 CB ALA A 54 1.794 12.094 -11.219 1.00 0.00 C ATOM 0 H ALA A 54 4.133 11.107 -11.429 1.00 0.00 H new ATOM 0 HA ALA A 54 1.978 10.980 -9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.707 12.144 -11.155 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.225 12.997 -10.786 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.093 12.015 -12.264 1.00 0.00 H new ATOM 830 N THR A 55 2.549 8.782 -11.630 1.00 0.00 N ATOM 831 CA THR A 55 2.120 7.510 -12.188 1.00 0.00 C ATOM 832 C THR A 55 1.355 6.699 -11.140 1.00 0.00 C ATOM 833 O THR A 55 0.538 5.847 -11.486 1.00 0.00 O ATOM 834 CB THR A 55 3.357 6.792 -12.729 1.00 0.00 C ATOM 835 OG1 THR A 55 2.934 5.439 -12.879 1.00 0.00 O ATOM 836 CG2 THR A 55 4.488 6.717 -11.702 1.00 0.00 C ATOM 0 H THR A 55 3.533 9.004 -11.781 1.00 0.00 H new ATOM 0 HA THR A 55 1.423 7.654 -13.013 1.00 0.00 H new ATOM 0 HB THR A 55 3.713 7.305 -13.622 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.675 4.901 -13.227 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.341 6.198 -12.138 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.785 7.725 -11.414 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.144 6.174 -10.821 1.00 0.00 H new ATOM 844 N GLU A 56 1.648 6.992 -9.882 1.00 0.00 N ATOM 845 CA GLU A 56 0.997 6.301 -8.782 1.00 0.00 C ATOM 846 C GLU A 56 -0.424 6.832 -8.586 1.00 0.00 C ATOM 847 O GLU A 56 -1.358 6.057 -8.382 1.00 0.00 O ATOM 848 CB GLU A 56 1.813 6.430 -7.494 1.00 0.00 C ATOM 849 CG GLU A 56 2.417 7.830 -7.366 1.00 0.00 C ATOM 850 CD GLU A 56 2.459 8.278 -5.904 1.00 0.00 C ATOM 851 OE1 GLU A 56 3.262 7.686 -5.151 1.00 0.00 O ATOM 852 OE2 GLU A 56 1.687 9.204 -5.572 1.00 0.00 O ATOM 0 H GLU A 56 2.327 7.698 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 56 0.936 5.241 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.176 6.225 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.608 5.685 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.425 7.834 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.829 8.538 -7.950 1.00 0.00 H new ATOM 859 N ASN A 57 -0.545 8.149 -8.656 1.00 0.00 N ATOM 860 CA ASN A 57 -1.836 8.793 -8.490 1.00 0.00 C ATOM 861 C ASN A 57 -2.574 8.800 -9.830 1.00 0.00 C ATOM 862 O ASN A 57 -3.804 8.779 -9.866 1.00 0.00 O ATOM 863 CB ASN A 57 -1.674 10.244 -8.031 1.00 0.00 C ATOM 864 CG ASN A 57 -1.994 10.388 -6.542 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.262 9.936 -5.677 1.00 0.00 O ATOM 866 ND2 ASN A 57 -3.125 11.040 -6.293 1.00 0.00 N ATOM 0 H ASN A 57 0.231 8.788 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.395 8.238 -7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.654 10.577 -8.221 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.333 10.889 -8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.427 11.188 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.691 11.393 -7.065 1.00 0.00 H new ATOM 873 N PHE A 58 -1.792 8.831 -10.899 1.00 0.00 N ATOM 874 CA PHE A 58 -2.356 8.842 -12.238 1.00 0.00 C ATOM 875 C PHE A 58 -2.972 7.485 -12.584 1.00 0.00 C ATOM 876 O PHE A 58 -4.031 7.421 -13.207 1.00 0.00 O ATOM 877 CB PHE A 58 -1.206 9.127 -13.206 1.00 0.00 C ATOM 878 CG PHE A 58 -1.536 8.834 -14.671 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.728 7.552 -15.080 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.639 9.856 -15.563 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.036 7.280 -16.440 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.946 9.585 -16.922 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.138 8.302 -17.331 1.00 0.00 C ATOM 0 H PHE A 58 -0.773 8.849 -10.865 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.141 9.596 -12.305 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.917 10.174 -13.112 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.342 8.530 -12.913 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.646 6.741 -14.372 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.487 10.874 -15.237 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.189 6.262 -16.766 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.027 10.396 -17.630 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.372 8.095 -18.365 1.00 0.00 H new ATOM 893 N GLU A 59 -2.284 6.434 -12.165 1.00 0.00 N ATOM 894 CA GLU A 59 -2.750 5.082 -12.423 1.00 0.00 C ATOM 895 C GLU A 59 -3.894 4.726 -11.472 1.00 0.00 C ATOM 896 O GLU A 59 -4.679 3.821 -11.752 1.00 0.00 O ATOM 897 CB GLU A 59 -1.605 4.075 -12.305 1.00 0.00 C ATOM 898 CG GLU A 59 -1.162 3.917 -10.850 1.00 0.00 C ATOM 899 CD GLU A 59 -2.157 3.060 -10.063 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.492 1.969 -10.572 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.561 3.517 -8.973 1.00 0.00 O ATOM 0 H GLU A 59 -1.407 6.491 -11.648 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.125 5.036 -13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.923 3.110 -12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.762 4.405 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.174 3.458 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.074 4.899 -10.384 1.00 0.00 H new ATOM 908 N ASP A 60 -3.953 5.455 -10.368 1.00 0.00 N ATOM 909 CA ASP A 60 -4.988 5.227 -9.375 1.00 0.00 C ATOM 910 C ASP A 60 -6.361 5.431 -10.018 1.00 0.00 C ATOM 911 O ASP A 60 -7.196 4.527 -10.006 1.00 0.00 O ATOM 912 CB ASP A 60 -4.861 6.212 -8.210 1.00 0.00 C ATOM 913 CG ASP A 60 -6.102 6.327 -7.323 1.00 0.00 C ATOM 914 OD1 ASP A 60 -7.009 7.093 -7.712 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.115 5.647 -6.274 1.00 0.00 O ATOM 0 H ASP A 60 -3.300 6.205 -10.139 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.877 4.209 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.016 5.911 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.627 7.198 -8.611 1.00 0.00 H new ATOM 920 N VAL A 61 -6.552 6.622 -10.564 1.00 0.00 N ATOM 921 CA VAL A 61 -7.808 6.956 -11.213 1.00 0.00 C ATOM 922 C VAL A 61 -8.026 6.022 -12.405 1.00 0.00 C ATOM 923 O VAL A 61 -9.140 5.912 -12.915 1.00 0.00 O ATOM 924 CB VAL A 61 -7.821 8.436 -11.601 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.447 8.880 -12.108 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.907 8.721 -12.640 1.00 0.00 C ATOM 0 H VAL A 61 -5.857 7.369 -10.570 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.643 6.808 -10.528 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.053 9.015 -10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.482 9.936 -12.377 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.704 8.730 -11.325 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.175 8.291 -12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.895 9.780 -12.898 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.720 8.127 -13.535 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.882 8.459 -12.229 1.00 0.00 H new ATOM 936 N GLY A 62 -6.946 5.376 -12.815 1.00 0.00 N ATOM 937 CA GLY A 62 -7.005 4.456 -13.937 1.00 0.00 C ATOM 938 C GLY A 62 -7.298 5.200 -15.242 1.00 0.00 C ATOM 939 O GLY A 62 -8.438 5.229 -15.702 1.00 0.00 O ATOM 0 H GLY A 62 -6.024 5.471 -12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.059 3.921 -14.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.778 3.709 -13.759 1.00 0.00 H new ATOM 943 N HIS A 63 -6.249 5.785 -15.801 1.00 0.00 N ATOM 944 CA HIS A 63 -6.379 6.528 -17.043 1.00 0.00 C ATOM 945 C HIS A 63 -6.577 5.553 -18.206 1.00 0.00 C ATOM 946 O HIS A 63 -5.945 4.499 -18.251 1.00 0.00 O ATOM 947 CB HIS A 63 -5.182 7.458 -17.247 1.00 0.00 C ATOM 948 CG HIS A 63 -5.225 8.709 -16.402 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.881 8.721 -15.063 1.00 0.00 N ATOM 950 CD2 HIS A 63 -5.575 9.988 -16.722 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.021 9.957 -14.605 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.452 10.741 -15.635 1.00 0.00 N ATOM 0 H HIS A 63 -5.305 5.760 -15.416 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.260 7.169 -16.997 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.267 6.911 -17.021 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.131 7.743 -18.298 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.572 7.915 -14.520 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.897 10.330 -17.694 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.828 10.286 -13.594 1.00 0.00 H new ATOM 960 N SER A 64 -7.458 5.940 -19.116 1.00 0.00 N ATOM 961 CA SER A 64 -7.748 5.114 -20.276 1.00 0.00 C ATOM 962 C SER A 64 -6.506 5.001 -21.162 1.00 0.00 C ATOM 963 O SER A 64 -5.783 5.979 -21.352 1.00 0.00 O ATOM 964 CB SER A 64 -8.922 5.680 -21.076 1.00 0.00 C ATOM 965 OG SER A 64 -9.944 4.710 -21.286 1.00 0.00 O ATOM 0 H SER A 64 -7.981 6.815 -19.074 1.00 0.00 H new ATOM 0 HA SER A 64 -8.028 4.120 -19.927 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.340 6.538 -20.549 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.563 6.042 -22.039 1.00 0.00 H new ATOM 0 HG SER A 64 -10.676 5.112 -21.799 1.00 0.00 H new ATOM 971 N THR A 65 -6.295 3.801 -21.681 1.00 0.00 N ATOM 972 CA THR A 65 -5.154 3.548 -22.543 1.00 0.00 C ATOM 973 C THR A 65 -5.206 4.451 -23.776 1.00 0.00 C ATOM 974 O THR A 65 -4.209 4.606 -24.480 1.00 0.00 O ATOM 975 CB THR A 65 -5.138 2.056 -22.883 1.00 0.00 C ATOM 976 OG1 THR A 65 -3.994 1.902 -23.718 1.00 0.00 O ATOM 977 CG2 THR A 65 -6.309 1.648 -23.778 1.00 0.00 C ATOM 0 H THR A 65 -6.896 2.992 -21.521 1.00 0.00 H new ATOM 0 HA THR A 65 -4.218 3.791 -22.040 1.00 0.00 H new ATOM 0 HB THR A 65 -5.164 1.474 -21.962 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.740 2.773 -24.089 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.251 0.580 -23.989 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.248 1.867 -23.270 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.264 2.206 -24.713 1.00 0.00 H new ATOM 985 N ASP A 66 -6.378 5.025 -24.001 1.00 0.00 N ATOM 986 CA ASP A 66 -6.573 5.909 -25.137 1.00 0.00 C ATOM 987 C ASP A 66 -6.144 7.327 -24.754 1.00 0.00 C ATOM 988 O ASP A 66 -6.360 8.271 -25.513 1.00 0.00 O ATOM 989 CB ASP A 66 -8.045 5.957 -25.551 1.00 0.00 C ATOM 990 CG ASP A 66 -8.354 5.334 -26.914 1.00 0.00 C ATOM 991 OD1 ASP A 66 -7.518 4.525 -27.371 1.00 0.00 O ATOM 992 OD2 ASP A 66 -9.419 5.680 -27.468 1.00 0.00 O ATOM 0 H ASP A 66 -7.203 4.895 -23.415 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.977 5.528 -25.966 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.637 5.446 -24.792 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.370 6.997 -25.562 1.00 0.00 H new ATOM 997 N VAL A 67 -5.546 7.433 -23.577 1.00 0.00 N ATOM 998 CA VAL A 67 -5.084 8.719 -23.084 1.00 0.00 C ATOM 999 C VAL A 67 -3.691 9.007 -23.647 1.00 0.00 C ATOM 1000 O VAL A 67 -3.282 10.163 -23.742 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.127 8.739 -21.555 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.895 8.053 -20.963 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.263 10.170 -21.029 1.00 0.00 C ATOM 0 H VAL A 67 -5.371 6.648 -22.950 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.743 9.517 -23.425 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.007 8.180 -21.237 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.951 8.081 -19.875 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.860 7.016 -21.298 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.995 8.572 -21.294 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.291 10.156 -19.939 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.411 10.763 -21.362 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.184 10.612 -21.410 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.000 7.934 -24.007 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.662 8.056 -24.558 1.00 0.00 C ATOM 1015 C ARG A 68 -1.664 9.017 -25.749 1.00 0.00 C ATOM 1016 O ARG A 68 -0.652 9.654 -26.040 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.125 6.697 -25.009 1.00 0.00 C ATOM 1018 CG ARG A 68 0.357 6.787 -25.378 1.00 0.00 C ATOM 1019 CD ARG A 68 1.240 6.334 -24.214 1.00 0.00 C ATOM 1020 NE ARG A 68 1.298 4.856 -24.168 1.00 0.00 N ATOM 1021 CZ ARG A 68 2.090 4.109 -24.949 1.00 0.00 C ATOM 1022 NH1 ARG A 68 2.897 4.698 -25.842 1.00 0.00 N ATOM 1023 NH2 ARG A 68 2.075 2.774 -24.837 1.00 0.00 N ATOM 0 H ARG A 68 -3.343 6.977 -23.927 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.015 8.446 -23.773 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.261 5.966 -24.212 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.696 6.343 -25.867 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.556 6.168 -26.253 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.606 7.813 -25.650 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.244 6.742 -24.328 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.844 6.720 -23.275 1.00 0.00 H new ATOM 0 HE ARG A 68 0.697 4.375 -23.499 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.908 5.714 -25.927 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.500 4.130 -26.437 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.461 2.326 -24.157 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.678 2.206 -25.432 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.812 9.090 -26.408 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.959 9.961 -27.561 1.00 0.00 C ATOM 1039 C GLU A 69 -3.359 11.369 -27.115 1.00 0.00 C ATOM 1040 O GLU A 69 -3.067 12.347 -27.802 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.975 9.390 -28.553 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.394 9.461 -27.986 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.183 8.195 -28.326 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.826 7.136 -27.767 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.127 8.315 -29.137 1.00 0.00 O ATOM 0 H GLU A 69 -3.649 8.560 -26.165 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.998 10.022 -28.071 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.926 9.945 -29.490 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.723 8.355 -28.782 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.352 9.588 -26.904 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.908 10.334 -28.389 1.00 0.00 H new ATOM 1052 N LEU A 70 -4.019 11.426 -25.968 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.462 12.698 -25.423 1.00 0.00 C ATOM 1054 C LEU A 70 -3.261 13.635 -25.285 1.00 0.00 C ATOM 1055 O LEU A 70 -3.232 14.706 -25.890 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.228 12.482 -24.115 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.742 12.693 -24.182 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -7.080 14.146 -24.520 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.389 11.711 -25.162 1.00 0.00 C ATOM 0 H LEU A 70 -4.258 10.612 -25.401 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.165 13.180 -26.102 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.038 11.466 -23.769 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.820 13.157 -23.362 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.159 12.487 -23.196 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.162 14.268 -24.561 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.670 14.803 -23.753 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.649 14.404 -25.487 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.465 11.882 -25.191 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.971 11.861 -26.157 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.193 10.689 -24.836 1.00 0.00 H new ATOM 1071 N SER A 71 -2.299 13.198 -24.486 1.00 0.00 N ATOM 1072 CA SER A 71 -1.098 13.985 -24.261 1.00 0.00 C ATOM 1073 C SER A 71 -0.076 13.706 -25.365 1.00 0.00 C ATOM 1074 O SER A 71 1.020 13.218 -25.091 1.00 0.00 O ATOM 1075 CB SER A 71 -0.492 13.685 -22.888 1.00 0.00 C ATOM 1076 OG SER A 71 -0.460 12.288 -22.612 1.00 0.00 O ATOM 0 H SER A 71 -2.326 12.309 -23.986 1.00 0.00 H new ATOM 0 HA SER A 71 -1.370 15.040 -24.285 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.520 14.087 -22.843 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.071 14.194 -22.117 1.00 0.00 H new ATOM 0 HG SER A 71 0.440 12.033 -22.318 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.470 14.027 -26.588 1.00 0.00 N ATOM 1083 CA LYS A 72 0.398 13.817 -27.734 1.00 0.00 C ATOM 1084 C LYS A 72 1.330 15.021 -27.890 1.00 0.00 C ATOM 1085 O LYS A 72 2.532 14.858 -28.091 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.429 13.513 -28.984 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.398 12.018 -29.312 1.00 0.00 C ATOM 1088 CD LYS A 72 0.092 11.781 -30.742 1.00 0.00 C ATOM 1089 CE LYS A 72 1.615 11.646 -30.784 1.00 0.00 C ATOM 1090 NZ LYS A 72 2.228 12.858 -31.372 1.00 0.00 N ATOM 0 H LYS A 72 -1.380 14.431 -26.811 1.00 0.00 H new ATOM 0 HA LYS A 72 1.030 12.943 -27.578 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.459 13.834 -28.830 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.041 14.082 -29.829 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.256 11.501 -28.609 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.395 11.594 -29.190 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.368 10.878 -31.143 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.221 12.608 -31.379 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.000 11.489 -29.776 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.892 10.770 -31.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.262 12.749 -31.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.874 12.991 -32.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.979 13.687 -30.796 1.00 0.00 H new ATOM 1104 N THR A 73 0.739 16.203 -27.791 1.00 0.00 N ATOM 1105 CA THR A 73 1.501 17.433 -27.919 1.00 0.00 C ATOM 1106 C THR A 73 1.914 17.950 -26.539 1.00 0.00 C ATOM 1107 O THR A 73 2.754 18.842 -26.432 1.00 0.00 O ATOM 1108 CB THR A 73 0.656 18.431 -28.714 1.00 0.00 C ATOM 1109 OG1 THR A 73 0.649 17.902 -30.037 1.00 0.00 O ATOM 1110 CG2 THR A 73 1.342 19.791 -28.859 1.00 0.00 C ATOM 0 H THR A 73 -0.259 16.335 -27.624 1.00 0.00 H new ATOM 0 HA THR A 73 2.432 17.268 -28.462 1.00 0.00 H new ATOM 0 HB THR A 73 -0.310 18.562 -28.225 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.121 18.487 -30.620 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.701 20.463 -29.431 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.522 20.215 -27.871 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.292 19.666 -29.379 1.00 0.00 H new ATOM 1118 N TYR A 74 1.303 17.368 -25.517 1.00 0.00 N ATOM 1119 CA TYR A 74 1.597 17.758 -24.149 1.00 0.00 C ATOM 1120 C TYR A 74 2.750 16.931 -23.578 1.00 0.00 C ATOM 1121 O TYR A 74 2.880 16.798 -22.361 1.00 0.00 O ATOM 1122 CB TYR A 74 0.328 17.466 -23.345 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.951 18.016 -23.980 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.895 19.130 -24.792 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -2.160 17.396 -23.741 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -2.099 19.647 -25.391 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -3.365 17.913 -24.340 1.00 0.00 C ATOM 1128 CZ TYR A 74 -3.274 19.013 -25.135 1.00 0.00 C ATOM 1129 OH TYR A 74 -4.411 19.500 -25.700 1.00 0.00 O ATOM 0 H TYR A 74 0.606 16.629 -25.609 1.00 0.00 H new ATOM 0 HA TYR A 74 1.888 18.807 -24.104 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.227 16.387 -23.224 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.437 17.890 -22.347 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.052 19.615 -24.979 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.204 16.524 -23.106 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.069 20.518 -26.029 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.318 17.438 -24.162 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.173 18.946 -25.430 1.00 0.00 H new ATOM 1139 N ILE A 75 3.557 16.396 -24.483 1.00 0.00 N ATOM 1140 CA ILE A 75 4.695 15.585 -24.083 1.00 0.00 C ATOM 1141 C ILE A 75 5.943 16.466 -24.011 1.00 0.00 C ATOM 1142 O ILE A 75 6.071 17.429 -24.764 1.00 0.00 O ATOM 1143 CB ILE A 75 4.845 14.379 -25.014 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.038 13.186 -24.500 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.320 14.028 -25.221 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.845 12.375 -23.484 1.00 0.00 C ATOM 0 H ILE A 75 3.446 16.508 -25.491 1.00 0.00 H new ATOM 0 HA ILE A 75 4.539 15.172 -23.086 1.00 0.00 H new ATOM 0 HB ILE A 75 4.437 14.646 -25.989 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.115 13.538 -24.039 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.753 12.548 -25.336 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.400 13.168 -25.886 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.838 14.879 -25.664 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.775 13.787 -24.260 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.248 11.533 -23.134 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.755 12.004 -23.955 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.107 13.010 -22.638 1.00 0.00 H new ATOM 1158 N ILE A 76 6.833 16.103 -23.098 1.00 0.00 N ATOM 1159 CA ILE A 76 8.066 16.849 -22.918 1.00 0.00 C ATOM 1160 C ILE A 76 9.253 15.966 -23.310 1.00 0.00 C ATOM 1161 O ILE A 76 10.192 16.431 -23.952 1.00 0.00 O ATOM 1162 CB ILE A 76 8.155 17.401 -21.494 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.244 16.683 -20.694 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.795 17.339 -20.796 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.640 17.494 -19.458 1.00 0.00 C ATOM 0 H ILE A 76 6.724 15.302 -22.476 1.00 0.00 H new ATOM 0 HA ILE A 76 8.084 17.719 -23.575 1.00 0.00 H new ATOM 0 HB ILE A 76 8.439 18.452 -21.552 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.888 15.699 -20.389 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.119 16.524 -21.325 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.886 17.737 -19.785 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.071 17.932 -21.356 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.457 16.304 -20.749 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.415 16.962 -18.907 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.019 18.468 -19.768 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.768 17.630 -18.818 1.00 0.00 H new ATOM 1177 N GLY A 77 9.171 14.706 -22.906 1.00 0.00 N ATOM 1178 CA GLY A 77 10.225 13.753 -23.206 1.00 0.00 C ATOM 1179 C GLY A 77 10.317 12.676 -22.124 1.00 0.00 C ATOM 1180 O GLY A 77 9.403 11.866 -21.970 1.00 0.00 O ATOM 0 H GLY A 77 8.390 14.324 -22.373 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.034 13.287 -24.172 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.179 14.274 -23.287 1.00 0.00 H new ATOM 1184 N GLU A 78 11.427 12.701 -21.402 1.00 0.00 N ATOM 1185 CA GLU A 78 11.649 11.737 -20.337 1.00 0.00 C ATOM 1186 C GLU A 78 12.874 12.131 -19.511 1.00 0.00 C ATOM 1187 O GLU A 78 13.982 12.222 -20.040 1.00 0.00 O ATOM 1188 CB GLU A 78 11.801 10.323 -20.902 1.00 0.00 C ATOM 1189 CG GLU A 78 13.082 10.196 -21.727 1.00 0.00 C ATOM 1190 CD GLU A 78 13.128 8.858 -22.467 1.00 0.00 C ATOM 1191 OE1 GLU A 78 12.839 7.835 -21.810 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.450 8.889 -23.674 1.00 0.00 O ATOM 0 H GLU A 78 12.183 13.373 -21.533 1.00 0.00 H new ATOM 0 HA GLU A 78 10.778 11.741 -19.682 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.817 9.601 -20.085 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.939 10.081 -21.524 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.139 11.014 -22.445 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.950 10.284 -21.073 1.00 0.00 H new ATOM 1199 N LEU A 79 12.636 12.356 -18.227 1.00 0.00 N ATOM 1200 CA LEU A 79 13.706 12.739 -17.322 1.00 0.00 C ATOM 1201 C LEU A 79 14.846 11.724 -17.429 1.00 0.00 C ATOM 1202 O LEU A 79 14.630 10.585 -17.839 1.00 0.00 O ATOM 1203 CB LEU A 79 13.170 12.915 -15.901 1.00 0.00 C ATOM 1204 CG LEU A 79 13.276 11.691 -14.988 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.981 10.403 -15.761 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.639 11.643 -14.292 1.00 0.00 C ATOM 0 H LEU A 79 11.717 12.280 -17.792 1.00 0.00 H new ATOM 0 HA LEU A 79 14.115 13.709 -17.605 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.705 13.741 -15.432 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.122 13.208 -15.963 1.00 0.00 H new ATOM 0 HG LEU A 79 12.519 11.779 -14.209 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.063 9.549 -15.089 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.972 10.447 -16.170 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.698 10.295 -16.575 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.689 10.764 -13.649 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.429 11.589 -15.042 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.771 12.541 -13.689 1.00 0.00 H new ATOM 1218 N HIS A 80 16.033 12.173 -17.052 1.00 0.00 N ATOM 1219 CA HIS A 80 17.207 11.318 -17.100 1.00 0.00 C ATOM 1220 C HIS A 80 16.813 9.885 -16.737 1.00 0.00 C ATOM 1221 O HIS A 80 15.973 9.671 -15.865 1.00 0.00 O ATOM 1222 CB HIS A 80 18.320 11.871 -16.207 1.00 0.00 C ATOM 1223 CG HIS A 80 19.712 11.524 -16.674 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.476 10.531 -16.084 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.471 12.045 -17.681 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.639 10.467 -16.714 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.635 11.408 -17.703 1.00 0.00 N ATOM 0 H HIS A 80 16.208 13.118 -16.712 1.00 0.00 H new ATOM 0 HA HIS A 80 17.608 11.303 -18.113 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.225 12.956 -16.156 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.182 11.491 -15.195 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.175 12.841 -18.348 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.448 9.789 -16.486 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.400 11.591 -18.352 1.00 0.00 H new ATOM 1235 N PRO A 81 17.455 8.916 -17.443 1.00 0.00 N ATOM 1236 CA PRO A 81 17.180 7.509 -17.205 1.00 0.00 C ATOM 1237 C PRO A 81 17.828 7.038 -15.901 1.00 0.00 C ATOM 1238 O PRO A 81 17.329 6.120 -15.252 1.00 0.00 O ATOM 1239 CB PRO A 81 17.718 6.790 -18.430 1.00 0.00 C ATOM 1240 CG PRO A 81 18.685 7.759 -19.092 1.00 0.00 C ATOM 1241 CD PRO A 81 18.456 9.133 -18.484 1.00 0.00 C ATOM 0 HA PRO A 81 16.117 7.303 -17.075 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.223 5.865 -18.150 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.910 6.519 -19.110 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.715 7.438 -18.934 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.521 7.786 -20.169 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.378 9.541 -18.068 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.102 9.843 -19.232 1.00 0.00 H new ATOM 1249 N ASP A 82 18.932 7.686 -15.558 1.00 0.00 N ATOM 1250 CA ASP A 82 19.654 7.344 -14.344 1.00 0.00 C ATOM 1251 C ASP A 82 18.850 7.810 -13.129 1.00 0.00 C ATOM 1252 O ASP A 82 18.739 7.088 -12.140 1.00 0.00 O ATOM 1253 CB ASP A 82 21.018 8.035 -14.301 1.00 0.00 C ATOM 1254 CG ASP A 82 22.159 7.181 -13.747 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.110 5.952 -13.972 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.055 7.775 -13.109 1.00 0.00 O ATOM 0 H ASP A 82 19.344 8.446 -16.100 1.00 0.00 H new ATOM 0 HA ASP A 82 19.796 6.263 -14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.279 8.353 -15.310 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.932 8.937 -13.695 1.00 0.00 H new ATOM 1261 N ASP A 83 18.307 9.014 -13.244 1.00 0.00 N ATOM 1262 CA ASP A 83 17.516 9.584 -12.168 1.00 0.00 C ATOM 1263 C ASP A 83 16.187 8.834 -12.064 1.00 0.00 C ATOM 1264 O ASP A 83 15.638 8.682 -10.974 1.00 0.00 O ATOM 1265 CB ASP A 83 17.207 11.059 -12.432 1.00 0.00 C ATOM 1266 CG ASP A 83 18.354 12.025 -12.128 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.295 12.065 -12.950 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.263 12.700 -11.080 1.00 0.00 O ATOM 0 H ASP A 83 18.400 9.610 -14.067 1.00 0.00 H new ATOM 0 HA ASP A 83 18.090 9.495 -11.246 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.923 11.174 -13.478 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.342 11.346 -11.834 1.00 0.00 H new ATOM 1273 N ARG A 84 15.708 8.383 -13.214 1.00 0.00 N ATOM 1274 CA ARG A 84 14.453 7.652 -13.267 1.00 0.00 C ATOM 1275 C ARG A 84 14.550 6.368 -12.440 1.00 0.00 C ATOM 1276 O ARG A 84 13.563 5.926 -11.855 1.00 0.00 O ATOM 1277 CB ARG A 84 14.085 7.294 -14.709 1.00 0.00 C ATOM 1278 CG ARG A 84 13.280 5.994 -14.762 1.00 0.00 C ATOM 1279 CD ARG A 84 14.200 4.787 -14.954 1.00 0.00 C ATOM 1280 NE ARG A 84 13.509 3.744 -15.745 1.00 0.00 N ATOM 1281 CZ ARG A 84 13.908 2.467 -15.815 1.00 0.00 C ATOM 1282 NH1 ARG A 84 14.995 2.067 -15.143 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.219 1.590 -16.558 1.00 0.00 N ATOM 0 H ARG A 84 16.166 8.510 -14.116 1.00 0.00 H new ATOM 0 HA ARG A 84 13.677 8.296 -12.854 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.505 8.104 -15.152 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.992 7.189 -15.304 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.709 5.878 -13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.560 6.041 -15.579 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.115 5.094 -15.462 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.493 4.385 -13.984 1.00 0.00 H new ATOM 0 HE ARG A 84 12.677 4.014 -16.270 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.519 2.735 -14.578 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.299 1.095 -15.196 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.391 1.895 -17.070 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.522 0.618 -16.612 1.00 0.00 H new ATOM 1297 N SER A 85 15.751 5.808 -12.416 1.00 0.00 N ATOM 1298 CA SER A 85 15.991 4.585 -11.670 1.00 0.00 C ATOM 1299 C SER A 85 16.372 4.919 -10.226 1.00 0.00 C ATOM 1300 O SER A 85 16.413 4.035 -9.371 1.00 0.00 O ATOM 1301 CB SER A 85 17.088 3.745 -12.327 1.00 0.00 C ATOM 1302 OG SER A 85 17.374 2.564 -11.583 1.00 0.00 O ATOM 0 H SER A 85 16.568 6.179 -12.901 1.00 0.00 H new ATOM 0 HA SER A 85 15.072 3.998 -11.671 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.780 3.472 -13.336 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.995 4.343 -12.421 1.00 0.00 H new ATOM 0 HG SER A 85 17.012 2.653 -10.677 1.00 0.00 H new ATOM 1308 N LYS A 86 16.641 6.196 -9.999 1.00 0.00 N ATOM 1309 CA LYS A 86 17.017 6.657 -8.673 1.00 0.00 C ATOM 1310 C LYS A 86 15.759 6.809 -7.815 1.00 0.00 C ATOM 1311 O LYS A 86 15.810 6.637 -6.598 1.00 0.00 O ATOM 1312 CB LYS A 86 17.855 7.934 -8.768 1.00 0.00 C ATOM 1313 CG LYS A 86 19.266 7.628 -9.271 1.00 0.00 C ATOM 1314 CD LYS A 86 20.322 8.165 -8.302 1.00 0.00 C ATOM 1315 CE LYS A 86 20.718 9.599 -8.663 1.00 0.00 C ATOM 1316 NZ LYS A 86 19.676 10.551 -8.220 1.00 0.00 N ATOM 0 H LYS A 86 16.606 6.926 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 86 17.653 5.922 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.371 8.642 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.909 8.411 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.389 6.551 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.410 8.074 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.935 8.136 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 86 21.203 7.523 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.670 9.849 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.861 9.683 -9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.043 11.522 -8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.838 10.456 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.414 10.345 -7.235 1.00 0.00 H new ATOM 1330 N ILE A 87 14.661 7.131 -8.483 1.00 0.00 N ATOM 1331 CA ILE A 87 13.393 7.308 -7.796 1.00 0.00 C ATOM 1332 C ILE A 87 12.916 5.958 -7.258 1.00 0.00 C ATOM 1333 O ILE A 87 11.952 5.894 -6.495 1.00 0.00 O ATOM 1334 CB ILE A 87 12.379 7.997 -8.712 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.752 9.465 -8.937 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.957 7.843 -8.170 1.00 0.00 C ATOM 1337 CD1 ILE A 87 12.291 10.332 -7.765 1.00 0.00 C ATOM 0 H ILE A 87 14.623 7.274 -9.492 1.00 0.00 H new ATOM 0 HA ILE A 87 13.514 7.969 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 87 12.407 7.505 -9.684 1.00 0.00 H new ATOM 0 HG12 ILE A 87 13.831 9.555 -9.059 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.296 9.823 -9.860 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.256 8.342 -8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.705 6.784 -8.104 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.895 8.293 -7.179 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.568 11.370 -7.949 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.208 10.258 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 87 12.768 9.987 -6.847 1.00 0.00 H new ATOM 1349 N ALA A 88 13.613 4.912 -7.674 1.00 0.00 N ATOM 1350 CA ALA A 88 13.274 3.565 -7.243 1.00 0.00 C ATOM 1351 C ALA A 88 13.562 3.427 -5.747 1.00 0.00 C ATOM 1352 O ALA A 88 14.372 2.593 -5.342 1.00 0.00 O ATOM 1353 CB ALA A 88 14.049 2.549 -8.084 1.00 0.00 C ATOM 0 H ALA A 88 14.412 4.969 -8.306 1.00 0.00 H new ATOM 0 HA ALA A 88 12.213 3.368 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.795 1.540 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.786 2.671 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.119 2.712 -7.957 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -5.938 12.508 -15.740 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.264 12.120 -16.020 1.00 0.00 C HETATM 1362 CHB HEM A 95 -5.646 12.461 -19.124 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.599 12.921 -15.442 1.00 0.00 C HETATM 1364 CHD HEM A 95 -6.216 12.577 -12.340 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.226 12.314 -17.256 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.580 12.175 -17.154 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.139 12.072 -18.498 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.118 12.175 -19.366 1.00 0.00 C HETATM 1369 C4A HEM A 95 -6.923 12.338 -18.588 1.00 0.00 C HETATM 1370 CMA HEM A 95 -8.236 12.082 -20.880 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.434 11.298 -18.936 1.00 0.00 C HETATM 1372 CBA HEM A 95 -10.418 9.802 -19.326 1.00 0.00 C HETATM 1373 CGA HEM A 95 -9.659 8.933 -18.333 1.00 0.00 C HETATM 1374 O1A HEM A 95 -10.305 8.135 -17.609 1.00 0.00 O HETATM 1375 O2A HEM A 95 -8.406 9.024 -18.274 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.416 12.653 -17.018 1.00 0.00 N HETATM 1377 C1B HEM A 95 -4.497 12.606 -18.376 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.178 12.755 -18.966 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.320 12.883 -17.942 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.095 12.839 -16.701 1.00 0.00 C HETATM 1381 CMB HEM A 95 -2.798 12.745 -20.437 1.00 0.00 C HETATM 1382 CAB HEM A 95 -0.824 13.052 -18.055 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.012 13.629 -17.347 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.653 12.725 -14.196 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.299 12.874 -14.286 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.722 12.967 -12.965 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.776 12.891 -12.069 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.962 12.714 -12.850 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.294 13.154 -12.573 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.627 12.959 -10.585 1.00 0.00 C HETATM 1391 CBC HEM A 95 -3.909 12.222 -9.818 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.462 12.380 -14.442 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.376 12.426 -13.063 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.728 12.284 -12.488 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.542 12.158 -13.524 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.769 12.221 -14.741 1.00 0.00 C HETATM 1397 CMD HEM A 95 -9.063 12.296 -11.028 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.150 12.219 -13.643 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.798 11.399 -12.500 1.00 0.00 C HETATM 1400 CGD HEM A 95 -12.588 12.294 -11.545 1.00 0.00 C HETATM 1401 O1D HEM A 95 -12.253 13.422 -11.186 1.00 0.00 O HETATM 1402 O2D HEM A 95 -13.510 11.556 -10.944 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -7.433 12.656 -21.343 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -9.199 12.485 -21.195 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -8.161 11.039 -21.187 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -1.920 13.372 -20.590 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -3.627 13.131 -21.030 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -2.574 11.725 -20.748 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.648 12.707 -13.328 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -1.115 12.673 -11.611 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -1.075 14.219 -12.493 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -10.066 12.698 -10.888 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -8.345 12.919 -10.495 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -9.022 11.279 -10.637 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 1.044 13.628 -17.617 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -0.344 14.144 -16.446 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -3.727 12.435 -8.765 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -4.371 11.279 -10.112 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -9.967 9.695 -20.312 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -11.444 9.442 -19.404 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -10.846 11.838 -19.789 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.149 11.399 -18.119 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -11.023 10.869 -11.946 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -12.460 10.643 -12.923 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.466 11.825 -14.609 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.487 13.254 -13.595 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.331 11.980 -16.111 1.00 0.00 H new HETATM 0 HHB HEM A 95 -5.547 12.442 -20.199 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.529 13.036 -15.353 1.00 0.00 H new HETATM 0 HHD HEM A 95 -6.309 12.588 -11.264 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.387 12.570 -18.930 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.172 13.874 -10.205 1.00 0.00 H new