USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=20 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 49 GLN : amide:sc= 0.719 K(o=0.34,f=-1.8!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.382 K(o=0.34,f=-1.1) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.659 K(o=-0.81,f=-6.3!) USER MOD Set 2.2: A 201 HEM CMD :methyl 150:sc= -1.46 (180deg=-1.23) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.277 K(o=0.19,f=-5.8!) USER MOD Set 3.2: A 20 SER OG : rot 170:sc= 0.466 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= -0.0108 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 13 GLN : amide:sc= 0.493 K(o=0.49,f=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 2.34 (180deg=2.2) USER MOD Single : A 16 ASN : amide:sc= -0.515 K(o=-0.51,f=-1.4) USER MOD Single : A 17 ASN : amide:sc= 0.62 K(o=0.62,f=-3.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.53 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 50:sc= 0.195 USER MOD Single : A 26 HIS : no HD1:sc= -0.827 K(o=-0.83,f=-0.28) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.988) USER MOD Single : A 30 TYR OH : rot 24:sc= 1.16 USER MOD Single : A 33 THR OG1 : rot 105:sc= 2.16 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 32:sc= 1.25 USER MOD Single : A 64 SER OG : rot 57:sc= 1.25 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -59:sc= 1.1 USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 0.882 (180deg=-1.61!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-7.2!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0575 (180deg=-0.748) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -2.66! (180deg=-2.66!) USER MOD Single : A 201 HEM CMC :methyl -30:sc=-0.00769 (180deg=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 2.193 3.349 -17.915 1.00 0.00 N ATOM 2 CA ALA A 3 1.785 1.958 -17.611 1.00 0.00 C ATOM 3 C ALA A 3 1.784 1.720 -16.095 1.00 0.00 C ATOM 4 O ALA A 3 2.128 2.640 -15.359 1.00 0.00 O ATOM 5 CB ALA A 3 2.698 0.964 -18.340 1.00 0.00 C ATOM 0 HA ALA A 3 0.768 1.799 -17.970 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.386 -0.054 -18.107 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.629 1.128 -19.415 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.728 1.111 -18.016 1.00 0.00 H new ATOM 13 N VAL A 4 1.409 0.521 -15.643 1.00 0.00 N ATOM 14 CA VAL A 4 1.419 0.113 -14.237 1.00 0.00 C ATOM 15 C VAL A 4 2.080 -1.260 -14.097 1.00 0.00 C ATOM 16 O VAL A 4 1.874 -2.128 -14.943 1.00 0.00 O ATOM 17 CB VAL A 4 -0.013 0.063 -13.669 1.00 0.00 C ATOM 18 CG1 VAL A 4 -0.525 1.474 -13.362 1.00 0.00 C ATOM 19 CG2 VAL A 4 -1.006 -0.649 -14.600 1.00 0.00 C ATOM 0 H VAL A 4 1.079 -0.216 -16.266 1.00 0.00 H new ATOM 0 HA VAL A 4 1.989 0.850 -13.671 1.00 0.00 H new ATOM 0 HB VAL A 4 0.048 -0.519 -12.749 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.537 1.415 -12.962 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.128 1.946 -12.628 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.530 2.066 -14.277 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.996 -0.651 -14.143 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.048 -0.126 -15.555 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.680 -1.676 -14.763 1.00 0.00 H new ATOM 29 N LYS A 5 2.853 -1.466 -13.028 1.00 0.00 N ATOM 30 CA LYS A 5 3.363 -2.784 -12.679 1.00 0.00 C ATOM 31 C LYS A 5 2.436 -3.464 -11.674 1.00 0.00 C ATOM 32 O LYS A 5 2.339 -3.089 -10.506 1.00 0.00 O ATOM 33 CB LYS A 5 4.811 -2.687 -12.180 1.00 0.00 C ATOM 34 CG LYS A 5 5.366 -4.085 -11.862 1.00 0.00 C ATOM 35 CD LYS A 5 6.872 -4.054 -11.571 1.00 0.00 C ATOM 36 CE LYS A 5 7.710 -3.998 -12.855 1.00 0.00 C ATOM 37 NZ LYS A 5 9.155 -4.038 -12.546 1.00 0.00 N ATOM 0 H LYS A 5 3.139 -0.726 -12.387 1.00 0.00 H new ATOM 0 HA LYS A 5 3.380 -3.411 -13.570 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.431 -2.207 -12.937 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.854 -2.061 -11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.839 -4.497 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.173 -4.751 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.103 -3.188 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.148 -4.939 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.449 -4.836 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.477 -3.087 -13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.700 -3.999 -13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.405 -3.224 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.378 -4.919 -12.041 1.00 0.00 H new ATOM 47 N TYR A 6 1.729 -4.480 -12.151 1.00 0.00 N ATOM 48 CA TYR A 6 1.017 -5.389 -11.278 1.00 0.00 C ATOM 49 C TYR A 6 2.017 -6.183 -10.429 1.00 0.00 C ATOM 50 O TYR A 6 3.096 -6.547 -10.895 1.00 0.00 O ATOM 51 CB TYR A 6 0.175 -6.344 -12.121 1.00 0.00 C ATOM 52 CG TYR A 6 -0.707 -5.685 -13.175 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.957 -5.144 -12.830 1.00 0.00 C ATOM 54 CD2 TYR A 6 -0.231 -5.533 -14.492 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.694 -4.396 -13.764 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.969 -4.790 -15.429 1.00 0.00 C ATOM 57 CZ TYR A 6 -2.190 -4.208 -15.059 1.00 0.00 C ATOM 58 OH TYR A 6 -2.874 -3.440 -15.949 1.00 0.00 O ATOM 0 H TYR A 6 1.636 -4.692 -13.144 1.00 0.00 H new ATOM 0 HA TYR A 6 0.364 -4.821 -10.615 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.843 -7.047 -12.619 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.460 -6.927 -11.454 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.355 -5.304 -11.839 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.704 -5.989 -14.783 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.645 -3.967 -13.485 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.596 -4.667 -16.435 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.387 -3.412 -16.799 1.00 0.00 H new ATOM 67 N TYR A 7 1.628 -6.460 -9.191 1.00 0.00 N ATOM 68 CA TYR A 7 2.298 -7.360 -8.275 1.00 0.00 C ATOM 69 C TYR A 7 1.216 -8.228 -7.634 1.00 0.00 C ATOM 70 O TYR A 7 0.223 -7.708 -7.131 1.00 0.00 O ATOM 71 CB TYR A 7 3.089 -6.574 -7.223 1.00 0.00 C ATOM 72 CG TYR A 7 4.144 -5.643 -7.782 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.826 -4.297 -8.039 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.471 -6.088 -7.926 1.00 0.00 C ATOM 75 CE1 TYR A 7 4.849 -3.387 -8.356 1.00 0.00 C ATOM 76 CE2 TYR A 7 6.500 -5.155 -8.143 1.00 0.00 C ATOM 77 CZ TYR A 7 6.186 -3.797 -8.297 1.00 0.00 C ATOM 78 OH TYR A 7 7.187 -2.885 -8.433 1.00 0.00 O ATOM 0 H TYR A 7 0.794 -6.039 -8.783 1.00 0.00 H new ATOM 0 HA TYR A 7 3.021 -7.985 -8.798 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.389 -5.989 -6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.571 -7.282 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.800 -3.964 -7.993 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.698 -7.142 -7.870 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.604 -2.375 -8.644 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.528 -5.483 -8.191 1.00 0.00 H new ATOM 0 HH TYR A 7 8.053 -3.338 -8.366 1.00 0.00 H new ATOM 87 N THR A 8 1.377 -9.547 -7.690 1.00 0.00 N ATOM 88 CA THR A 8 0.424 -10.474 -7.092 1.00 0.00 C ATOM 89 C THR A 8 0.520 -10.378 -5.578 1.00 0.00 C ATOM 90 O THR A 8 1.594 -10.159 -5.021 1.00 0.00 O ATOM 91 CB THR A 8 0.712 -11.895 -7.588 1.00 0.00 C ATOM 92 OG1 THR A 8 2.109 -12.129 -7.580 1.00 0.00 O ATOM 93 CG2 THR A 8 0.220 -12.055 -9.027 1.00 0.00 C ATOM 0 H THR A 8 2.167 -10.000 -8.149 1.00 0.00 H new ATOM 0 HA THR A 8 -0.594 -10.217 -7.387 1.00 0.00 H new ATOM 0 HB THR A 8 0.201 -12.600 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.290 -13.039 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.428 -13.068 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.854 -11.872 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.734 -11.340 -9.669 1.00 0.00 H new ATOM 101 N LEU A 9 -0.608 -10.549 -4.904 1.00 0.00 N ATOM 102 CA LEU A 9 -0.765 -10.495 -3.462 1.00 0.00 C ATOM 103 C LEU A 9 0.205 -11.414 -2.728 1.00 0.00 C ATOM 104 O LEU A 9 0.546 -11.123 -1.596 1.00 0.00 O ATOM 105 CB LEU A 9 -2.178 -10.934 -3.168 1.00 0.00 C ATOM 106 CG LEU A 9 -2.713 -10.665 -1.752 1.00 0.00 C ATOM 107 CD1 LEU A 9 -2.922 -9.172 -1.481 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.053 -11.392 -1.599 1.00 0.00 C ATOM 0 H LEU A 9 -1.490 -10.741 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.556 -9.482 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.841 -10.441 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.246 -12.005 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.976 -11.027 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.301 -9.036 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.973 -8.647 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.641 -8.770 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.451 -11.215 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.757 -11.018 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.905 -12.462 -1.746 1.00 0.00 H new ATOM 119 N GLU A 10 0.644 -12.522 -3.336 1.00 0.00 N ATOM 120 CA GLU A 10 1.779 -13.277 -2.790 1.00 0.00 C ATOM 121 C GLU A 10 2.934 -12.298 -2.518 1.00 0.00 C ATOM 122 O GLU A 10 3.466 -12.207 -1.411 1.00 0.00 O ATOM 123 CB GLU A 10 2.236 -14.404 -3.747 1.00 0.00 C ATOM 124 CG GLU A 10 3.755 -14.636 -3.563 1.00 0.00 C ATOM 125 CD GLU A 10 4.354 -15.943 -4.046 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.604 -16.804 -4.546 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.595 -16.026 -3.871 1.00 0.00 O ATOM 0 H GLU A 10 0.241 -12.910 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 10 1.468 -13.758 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.687 -15.322 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.019 -14.132 -4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.277 -13.825 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.978 -14.543 -2.500 1.00 0.00 H new ATOM 132 N GLU A 11 3.307 -11.555 -3.557 1.00 0.00 N ATOM 133 CA GLU A 11 4.358 -10.563 -3.527 1.00 0.00 C ATOM 134 C GLU A 11 4.008 -9.497 -2.520 1.00 0.00 C ATOM 135 O GLU A 11 4.738 -9.304 -1.556 1.00 0.00 O ATOM 136 CB GLU A 11 4.639 -10.013 -4.937 1.00 0.00 C ATOM 137 CG GLU A 11 6.151 -9.840 -5.179 1.00 0.00 C ATOM 138 CD GLU A 11 6.941 -11.142 -5.052 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.371 -12.216 -5.345 1.00 0.00 O ATOM 140 OE2 GLU A 11 8.092 -11.087 -4.574 1.00 0.00 O ATOM 0 H GLU A 11 2.864 -11.637 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 11 5.294 -11.019 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.224 -10.690 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.136 -9.054 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.306 -9.426 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.544 -9.115 -4.467 1.00 0.00 H new ATOM 145 N ILE A 12 2.837 -8.884 -2.668 1.00 0.00 N ATOM 146 CA ILE A 12 2.391 -7.884 -1.707 1.00 0.00 C ATOM 147 C ILE A 12 2.506 -8.393 -0.261 1.00 0.00 C ATOM 148 O ILE A 12 3.060 -7.708 0.599 1.00 0.00 O ATOM 149 CB ILE A 12 0.994 -7.338 -2.056 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.741 -7.127 -3.563 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.805 -5.976 -1.388 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.700 -6.703 -3.851 1.00 0.00 C ATOM 0 H ILE A 12 2.188 -9.060 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 12 3.067 -7.032 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 12 0.296 -8.097 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.425 -6.367 -3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.961 -8.050 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.183 -5.585 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.895 -6.085 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.568 -5.285 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.831 -6.566 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.384 -7.474 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.913 -5.766 -3.337 1.00 0.00 H new ATOM 163 N GLN A 13 2.116 -9.643 -0.005 1.00 0.00 N ATOM 164 CA GLN A 13 2.231 -10.225 1.332 1.00 0.00 C ATOM 165 C GLN A 13 3.662 -10.334 1.855 1.00 0.00 C ATOM 166 O GLN A 13 3.870 -10.418 3.065 1.00 0.00 O ATOM 167 CB GLN A 13 1.621 -11.622 1.363 1.00 0.00 C ATOM 168 CG GLN A 13 0.100 -11.589 1.576 1.00 0.00 C ATOM 169 CD GLN A 13 -0.322 -10.973 2.906 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.336 -11.641 3.931 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.688 -9.696 2.920 1.00 0.00 N ATOM 0 H GLN A 13 1.719 -10.270 -0.705 1.00 0.00 H new ATOM 0 HA GLN A 13 1.693 -9.533 1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.844 -12.134 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.085 -12.201 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.359 -11.026 0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.288 -12.606 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.671 -9.151 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.986 -9.260 3.793 1.00 0.00 H new ATOM 178 N LYS A 14 4.646 -10.382 0.963 1.00 0.00 N ATOM 179 CA LYS A 14 6.040 -10.486 1.347 1.00 0.00 C ATOM 180 C LYS A 14 6.631 -9.094 1.688 1.00 0.00 C ATOM 181 O LYS A 14 7.770 -9.004 2.146 1.00 0.00 O ATOM 182 CB LYS A 14 6.797 -11.216 0.223 1.00 0.00 C ATOM 183 CG LYS A 14 6.504 -12.731 0.224 1.00 0.00 C ATOM 184 CD LYS A 14 7.202 -13.523 -0.904 1.00 0.00 C ATOM 185 CE LYS A 14 6.734 -13.020 -2.274 1.00 0.00 C ATOM 186 NZ LYS A 14 7.086 -13.887 -3.422 1.00 0.00 N ATOM 0 H LYS A 14 4.494 -10.350 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 14 6.144 -11.070 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.514 -10.792 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.868 -11.053 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.810 -13.146 1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.427 -12.879 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.283 -13.414 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.980 -14.585 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.651 -12.902 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.159 -12.031 -2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.742 -13.454 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.119 -13.996 -3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.645 -14.821 -3.300 1.00 0.00 H new ATOM 196 N HIS A 15 5.858 -8.010 1.492 1.00 0.00 N ATOM 197 CA HIS A 15 6.231 -6.632 1.820 1.00 0.00 C ATOM 198 C HIS A 15 5.274 -6.002 2.847 1.00 0.00 C ATOM 199 O HIS A 15 4.374 -5.236 2.503 1.00 0.00 O ATOM 200 CB HIS A 15 6.251 -5.798 0.539 1.00 0.00 C ATOM 201 CG HIS A 15 7.226 -6.267 -0.518 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.560 -5.934 -0.666 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.881 -7.039 -1.590 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.994 -6.507 -1.801 1.00 0.00 C ATOM 205 NE2 HIS A 15 8.011 -7.195 -2.397 1.00 0.00 N ATOM 0 H HIS A 15 4.925 -8.078 1.086 1.00 0.00 H new ATOM 0 HA HIS A 15 7.222 -6.648 2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.249 -5.795 0.111 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.490 -4.767 0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.904 -7.457 -1.781 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.001 -6.424 -2.182 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.075 -7.726 -3.266 1.00 0.00 H new ATOM 212 N ASN A 16 5.509 -6.279 4.129 1.00 0.00 N ATOM 213 CA ASN A 16 4.699 -5.778 5.241 1.00 0.00 C ATOM 214 C ASN A 16 5.484 -5.618 6.551 1.00 0.00 C ATOM 215 O ASN A 16 4.979 -5.923 7.630 1.00 0.00 O ATOM 216 CB ASN A 16 3.453 -6.655 5.404 1.00 0.00 C ATOM 217 CG ASN A 16 3.768 -8.142 5.424 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.890 -8.564 5.689 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.789 -8.956 5.065 1.00 0.00 N ATOM 0 H ASN A 16 6.284 -6.870 4.431 1.00 0.00 H new ATOM 0 HA ASN A 16 4.385 -4.765 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.945 -6.385 6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.761 -6.447 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.957 -9.960 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.866 -8.580 4.850 1.00 0.00 H new ATOM 225 N ASN A 17 6.708 -5.088 6.483 1.00 0.00 N ATOM 226 CA ASN A 17 7.431 -4.676 7.682 1.00 0.00 C ATOM 227 C ASN A 17 8.445 -3.579 7.331 1.00 0.00 C ATOM 228 O ASN A 17 8.469 -3.115 6.197 1.00 0.00 O ATOM 229 CB ASN A 17 8.069 -5.909 8.342 1.00 0.00 C ATOM 230 CG ASN A 17 8.204 -5.708 9.843 1.00 0.00 C ATOM 231 OD1 ASN A 17 9.142 -5.071 10.304 1.00 0.00 O ATOM 232 ND2 ASN A 17 7.251 -6.197 10.620 1.00 0.00 N ATOM 0 H ASN A 17 7.215 -4.936 5.611 1.00 0.00 H new ATOM 0 HA ASN A 17 6.748 -4.241 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.460 -6.790 8.142 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.050 -6.094 7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.288 -6.046 11.628 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.480 -6.725 10.211 1.00 0.00 H new ATOM 238 N SER A 18 9.350 -3.205 8.243 1.00 0.00 N ATOM 239 CA SER A 18 10.482 -2.330 7.909 1.00 0.00 C ATOM 240 C SER A 18 11.244 -2.825 6.660 1.00 0.00 C ATOM 241 O SER A 18 11.835 -2.036 5.931 1.00 0.00 O ATOM 242 CB SER A 18 11.368 -2.164 9.145 1.00 0.00 C ATOM 243 OG SER A 18 10.553 -1.725 10.223 1.00 0.00 O ATOM 0 H SER A 18 9.321 -3.495 9.220 1.00 0.00 H new ATOM 0 HA SER A 18 10.113 -1.343 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.852 -3.108 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.161 -1.442 8.950 1.00 0.00 H new ATOM 0 HG SER A 18 11.104 -1.614 11.026 1.00 0.00 H new ATOM 248 N LYS A 19 11.176 -4.142 6.410 1.00 0.00 N ATOM 249 CA LYS A 19 11.508 -4.836 5.164 1.00 0.00 C ATOM 250 C LYS A 19 11.195 -3.984 3.927 1.00 0.00 C ATOM 251 O LYS A 19 12.022 -3.737 3.051 1.00 0.00 O ATOM 252 CB LYS A 19 10.551 -6.053 5.124 1.00 0.00 C ATOM 253 CG LYS A 19 10.486 -6.846 3.807 1.00 0.00 C ATOM 254 CD LYS A 19 11.846 -7.232 3.214 1.00 0.00 C ATOM 255 CE LYS A 19 11.605 -7.910 1.856 1.00 0.00 C ATOM 256 NZ LYS A 19 12.873 -8.211 1.160 1.00 0.00 N ATOM 0 H LYS A 19 10.864 -4.794 7.129 1.00 0.00 H new ATOM 0 HA LYS A 19 12.570 -5.082 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.842 -6.739 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.546 -5.702 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.909 -7.755 3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.941 -6.255 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.472 -6.348 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.376 -7.907 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.044 -8.833 2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.992 -7.262 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.669 -8.668 0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.397 -7.328 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.448 -8.850 1.746 1.00 0.00 H new ATOM 266 N SER A 20 9.911 -3.658 3.867 1.00 0.00 N ATOM 267 CA SER A 20 9.123 -3.040 2.815 1.00 0.00 C ATOM 268 C SER A 20 7.697 -3.025 3.367 1.00 0.00 C ATOM 269 O SER A 20 7.253 -4.057 3.871 1.00 0.00 O ATOM 270 CB SER A 20 9.083 -3.882 1.534 1.00 0.00 C ATOM 271 OG SER A 20 10.331 -4.333 1.042 1.00 0.00 O ATOM 0 H SER A 20 9.317 -3.850 4.673 1.00 0.00 H new ATOM 0 HA SER A 20 9.543 -2.066 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.452 -4.752 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.599 -3.295 0.753 1.00 0.00 H new ATOM 0 HG SER A 20 10.184 -4.983 0.324 1.00 0.00 H new ATOM 276 N THR A 21 6.974 -1.916 3.262 1.00 0.00 N ATOM 277 CA THR A 21 5.579 -1.837 3.684 1.00 0.00 C ATOM 278 C THR A 21 4.739 -1.470 2.472 1.00 0.00 C ATOM 279 O THR A 21 4.587 -0.293 2.144 1.00 0.00 O ATOM 280 CB THR A 21 5.411 -0.875 4.874 1.00 0.00 C ATOM 281 OG1 THR A 21 5.780 -1.539 6.065 1.00 0.00 O ATOM 282 CG2 THR A 21 3.980 -0.356 5.055 1.00 0.00 C ATOM 0 H THR A 21 7.339 -1.043 2.881 1.00 0.00 H new ATOM 0 HA THR A 21 5.230 -2.800 4.056 1.00 0.00 H new ATOM 0 HB THR A 21 6.049 -0.018 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.652 -1.970 5.943 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.942 0.315 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.672 0.183 4.159 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.307 -1.197 5.222 1.00 0.00 H new ATOM 290 N TRP A 22 4.216 -2.503 1.809 1.00 0.00 N ATOM 291 CA TRP A 22 3.221 -2.362 0.764 1.00 0.00 C ATOM 292 C TRP A 22 1.837 -2.244 1.336 1.00 0.00 C ATOM 293 O TRP A 22 1.618 -2.435 2.524 1.00 0.00 O ATOM 294 CB TRP A 22 3.368 -3.450 -0.313 1.00 0.00 C ATOM 295 CG TRP A 22 4.615 -3.430 -1.144 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.713 -2.680 -0.916 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.915 -4.205 -2.344 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.653 -2.917 -1.891 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.219 -3.857 -2.803 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.207 -5.149 -3.116 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.766 -4.412 -3.973 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.798 -5.806 -4.200 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.064 -5.421 -4.646 1.00 0.00 C ATOM 0 H TRP A 22 4.481 -3.471 1.991 1.00 0.00 H new ATOM 0 HA TRP A 22 3.402 -1.421 0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.305 -4.421 0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.513 -3.377 -0.985 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.835 -1.995 -0.090 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.561 -2.454 -1.935 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.181 -5.371 -2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.717 -4.065 -4.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.275 -6.612 -4.693 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.502 -5.901 -5.509 1.00 0.00 H new ATOM 313 N LEU A 23 0.907 -1.862 0.480 1.00 0.00 N ATOM 314 CA LEU A 23 -0.480 -1.778 0.822 1.00 0.00 C ATOM 315 C LEU A 23 -1.333 -1.739 -0.444 1.00 0.00 C ATOM 316 O LEU A 23 -0.779 -1.500 -1.515 1.00 0.00 O ATOM 317 CB LEU A 23 -0.782 -0.572 1.723 1.00 0.00 C ATOM 318 CG LEU A 23 0.097 0.516 2.369 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.690 1.836 2.189 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.114 0.357 3.906 1.00 0.00 C ATOM 0 H LEU A 23 1.109 -1.600 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.734 -2.671 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.515 -0.003 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.309 -1.011 2.570 1.00 0.00 H new ATOM 0 HG LEU A 23 1.098 0.475 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.125 2.659 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.845 2.025 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.656 1.755 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.740 1.134 4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.901 0.447 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.516 -0.622 4.166 1.00 0.00 H new ATOM 331 N ILE A 24 -2.657 -1.938 -0.325 1.00 0.00 N ATOM 332 CA ILE A 24 -3.596 -1.699 -1.429 1.00 0.00 C ATOM 333 C ILE A 24 -4.652 -0.652 -1.076 1.00 0.00 C ATOM 334 O ILE A 24 -5.431 -0.839 -0.140 1.00 0.00 O ATOM 335 CB ILE A 24 -4.306 -2.976 -1.920 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.354 -4.054 -2.444 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.376 -2.681 -2.984 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.865 -5.494 -2.339 1.00 0.00 C ATOM 0 H ILE A 24 -3.101 -2.266 0.532 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.971 -1.325 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.789 -3.371 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.133 -3.841 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.414 -3.980 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.846 -3.614 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.132 -2.016 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.910 -2.203 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.114 -6.176 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.057 -5.736 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.787 -5.595 -2.911 1.00 0.00 H new ATOM 349 N LEU A 25 -4.723 0.405 -1.888 1.00 0.00 N ATOM 350 CA LEU A 25 -5.795 1.398 -1.845 1.00 0.00 C ATOM 351 C LEU A 25 -6.450 1.415 -3.236 1.00 0.00 C ATOM 352 O LEU A 25 -5.904 1.997 -4.174 1.00 0.00 O ATOM 353 CB LEU A 25 -5.332 2.788 -1.338 1.00 0.00 C ATOM 354 CG LEU A 25 -4.059 2.803 -0.484 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.657 4.237 -0.136 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.236 2.002 0.806 1.00 0.00 C ATOM 0 H LEU A 25 -4.024 0.597 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.539 1.118 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.173 3.433 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.141 3.228 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.271 2.338 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.751 4.224 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.472 4.796 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.461 4.715 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.313 2.036 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.048 2.432 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.473 0.967 0.562 1.00 0.00 H new ATOM 367 N HIS A 26 -7.585 0.725 -3.390 1.00 0.00 N ATOM 368 CA HIS A 26 -8.368 0.655 -4.629 1.00 0.00 C ATOM 369 C HIS A 26 -7.683 -0.202 -5.716 1.00 0.00 C ATOM 370 O HIS A 26 -7.438 0.272 -6.825 1.00 0.00 O ATOM 371 CB HIS A 26 -8.701 2.075 -5.131 1.00 0.00 C ATOM 372 CG HIS A 26 -9.114 3.048 -4.052 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.370 3.163 -3.506 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.303 3.960 -3.424 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.314 4.124 -2.569 1.00 0.00 C ATOM 376 NE2 HIS A 26 -9.076 4.636 -2.479 1.00 0.00 N ATOM 0 H HIS A 26 -7.998 0.182 -2.631 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.305 0.146 -4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.829 2.476 -5.648 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.504 2.007 -5.865 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.255 4.125 -3.625 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.153 4.442 -1.968 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.763 5.372 -1.846 1.00 0.00 H new ATOM 383 N TYR A 27 -7.310 -1.451 -5.392 1.00 0.00 N ATOM 384 CA TYR A 27 -6.535 -2.367 -6.243 1.00 0.00 C ATOM 385 C TYR A 27 -5.098 -1.926 -6.536 1.00 0.00 C ATOM 386 O TYR A 27 -4.295 -2.746 -6.977 1.00 0.00 O ATOM 387 CB TYR A 27 -7.202 -2.661 -7.589 1.00 0.00 C ATOM 388 CG TYR A 27 -8.701 -2.886 -7.570 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.228 -3.997 -6.883 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.542 -2.111 -8.389 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.552 -4.405 -7.115 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.887 -2.481 -8.561 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.387 -3.634 -7.936 1.00 0.00 C ATOM 394 OH TYR A 27 -12.669 -4.024 -8.164 1.00 0.00 O ATOM 0 H TYR A 27 -7.551 -1.867 -4.492 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.505 -3.266 -5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.991 -1.830 -8.262 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.730 -3.546 -8.017 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.613 -4.536 -6.177 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.155 -1.233 -8.885 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.926 -5.311 -6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.537 -1.877 -9.176 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.108 -3.376 -8.754 1.00 0.00 H new ATOM 403 N LYS A 28 -4.762 -0.649 -6.355 1.00 0.00 N ATOM 404 CA LYS A 28 -3.425 -0.175 -6.651 1.00 0.00 C ATOM 405 C LYS A 28 -2.490 -0.593 -5.522 1.00 0.00 C ATOM 406 O LYS A 28 -2.966 -0.786 -4.411 1.00 0.00 O ATOM 407 CB LYS A 28 -3.459 1.319 -6.972 1.00 0.00 C ATOM 408 CG LYS A 28 -4.042 1.430 -8.382 1.00 0.00 C ATOM 409 CD LYS A 28 -4.249 2.887 -8.785 1.00 0.00 C ATOM 410 CE LYS A 28 -4.671 2.988 -10.258 1.00 0.00 C ATOM 411 NZ LYS A 28 -5.751 2.031 -10.590 1.00 0.00 N ATOM 0 H LYS A 28 -5.399 0.067 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.019 -0.636 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.073 1.860 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.459 1.751 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.373 0.946 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.993 0.900 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.011 3.340 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.328 3.448 -8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.007 4.003 -10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.808 2.798 -10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.382 2.452 -11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.335 1.157 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.296 1.811 -9.732 1.00 0.00 H new ATOM 421 N VAL A 29 -1.196 -0.777 -5.790 1.00 0.00 N ATOM 422 CA VAL A 29 -0.225 -1.185 -4.767 1.00 0.00 C ATOM 423 C VAL A 29 0.669 -0.007 -4.389 1.00 0.00 C ATOM 424 O VAL A 29 1.126 0.734 -5.263 1.00 0.00 O ATOM 425 CB VAL A 29 0.599 -2.411 -5.173 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.604 -2.769 -4.072 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.301 -3.636 -5.260 1.00 0.00 C ATOM 0 H VAL A 29 -0.791 -0.649 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.793 -1.492 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 29 1.083 -2.168 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.181 -3.642 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.278 -1.928 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.069 -2.992 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.292 -4.504 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.762 -3.819 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.079 -3.464 -6.004 1.00 0.00 H new ATOM 437 N TYR A 30 0.902 0.141 -3.082 1.00 0.00 N ATOM 438 CA TYR A 30 1.484 1.304 -2.457 1.00 0.00 C ATOM 439 C TYR A 30 2.620 0.943 -1.499 1.00 0.00 C ATOM 440 O TYR A 30 2.340 0.483 -0.403 1.00 0.00 O ATOM 441 CB TYR A 30 0.342 1.910 -1.652 1.00 0.00 C ATOM 442 CG TYR A 30 -0.771 2.530 -2.468 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.738 1.681 -3.024 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.898 3.922 -2.622 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.812 2.211 -3.746 1.00 0.00 C ATOM 446 CE2 TYR A 30 -2.016 4.449 -3.302 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.978 3.593 -3.852 1.00 0.00 C ATOM 448 OH TYR A 30 -4.097 4.085 -4.447 1.00 0.00 O ATOM 0 H TYR A 30 0.674 -0.590 -2.409 1.00 0.00 H new ATOM 0 HA TYR A 30 1.910 1.972 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.085 1.133 -1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.752 2.673 -0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.653 0.612 -2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.144 4.584 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.517 1.547 -4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.131 5.519 -3.399 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.816 3.421 -4.392 1.00 0.00 H new ATOM 457 N ASP A 31 3.866 1.224 -1.877 1.00 0.00 N ATOM 458 CA ASP A 31 5.087 0.949 -1.105 1.00 0.00 C ATOM 459 C ASP A 31 5.512 2.205 -0.351 1.00 0.00 C ATOM 460 O ASP A 31 5.686 3.275 -0.938 1.00 0.00 O ATOM 461 CB ASP A 31 6.256 0.476 -1.986 1.00 0.00 C ATOM 462 CG ASP A 31 7.503 0.035 -1.199 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.713 0.496 -0.050 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.235 -0.810 -1.758 1.00 0.00 O ATOM 0 H ASP A 31 4.066 1.671 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 31 4.848 0.142 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.917 -0.356 -2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.535 1.283 -2.664 1.00 0.00 H new ATOM 468 N LEU A 32 5.645 2.068 0.963 1.00 0.00 N ATOM 469 CA LEU A 32 5.815 3.183 1.864 1.00 0.00 C ATOM 470 C LEU A 32 7.166 3.043 2.548 1.00 0.00 C ATOM 471 O LEU A 32 8.147 3.571 2.029 1.00 0.00 O ATOM 472 CB LEU A 32 4.557 3.222 2.738 1.00 0.00 C ATOM 473 CG LEU A 32 3.370 3.362 1.768 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.997 3.282 2.356 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.337 4.709 1.088 1.00 0.00 C ATOM 0 H LEU A 32 5.637 1.162 1.432 1.00 0.00 H new ATOM 0 HA LEU A 32 5.874 4.167 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.468 2.314 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.592 4.059 3.435 1.00 0.00 H new ATOM 0 HG LEU A 32 3.562 2.510 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.255 3.396 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.865 2.315 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.869 4.077 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.481 4.756 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.251 5.494 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.255 4.851 0.518 1.00 0.00 H new ATOM 486 N THR A 33 7.249 2.343 3.681 1.00 0.00 N ATOM 487 CA THR A 33 8.518 1.922 4.296 1.00 0.00 C ATOM 488 C THR A 33 9.329 3.052 4.962 1.00 0.00 C ATOM 489 O THR A 33 9.786 2.900 6.087 1.00 0.00 O ATOM 490 CB THR A 33 9.349 1.116 3.272 1.00 0.00 C ATOM 491 OG1 THR A 33 8.521 0.252 2.504 1.00 0.00 O ATOM 492 CG2 THR A 33 10.371 0.247 4.007 1.00 0.00 C ATOM 0 H THR A 33 6.427 2.046 4.208 1.00 0.00 H new ATOM 0 HA THR A 33 8.257 1.278 5.136 1.00 0.00 H new ATOM 0 HB THR A 33 9.843 1.831 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.410 0.621 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.955 -0.320 3.282 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.036 0.883 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.851 -0.442 4.672 1.00 0.00 H new ATOM 500 N LYS A 34 9.472 4.192 4.287 1.00 0.00 N ATOM 501 CA LYS A 34 10.038 5.445 4.784 1.00 0.00 C ATOM 502 C LYS A 34 8.934 6.386 5.247 1.00 0.00 C ATOM 503 O LYS A 34 9.067 7.088 6.240 1.00 0.00 O ATOM 504 CB LYS A 34 10.749 6.132 3.605 1.00 0.00 C ATOM 505 CG LYS A 34 11.859 5.270 2.989 1.00 0.00 C ATOM 506 CD LYS A 34 11.897 5.362 1.451 1.00 0.00 C ATOM 507 CE LYS A 34 10.686 4.646 0.821 1.00 0.00 C ATOM 508 NZ LYS A 34 10.764 4.562 -0.653 1.00 0.00 N ATOM 0 H LYS A 34 9.176 4.270 3.314 1.00 0.00 H new ATOM 0 HA LYS A 34 10.711 5.230 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.015 6.373 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.176 7.075 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.822 5.583 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.712 4.231 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.903 6.409 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.820 4.917 1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.612 3.640 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.774 5.173 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.923 4.071 -1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.806 5.521 -1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.618 4.035 -0.926 1.00 0.00 H new ATOM 518 N PHE A 35 7.806 6.381 4.528 1.00 0.00 N ATOM 519 CA PHE A 35 6.672 7.233 4.902 1.00 0.00 C ATOM 520 C PHE A 35 6.235 6.930 6.338 1.00 0.00 C ATOM 521 O PHE A 35 5.794 7.809 7.067 1.00 0.00 O ATOM 522 CB PHE A 35 5.522 7.083 3.910 1.00 0.00 C ATOM 523 CG PHE A 35 4.325 7.945 4.252 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.503 9.325 4.465 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.038 7.386 4.337 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.397 10.155 4.687 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.930 8.215 4.580 1.00 0.00 C ATOM 528 CZ PHE A 35 2.109 9.603 4.723 1.00 0.00 C ATOM 0 H PHE A 35 7.655 5.807 3.698 1.00 0.00 H new ATOM 0 HA PHE A 35 6.988 8.275 4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.875 7.342 2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.212 6.038 3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.498 9.746 4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.901 6.322 4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.536 11.216 4.830 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.941 7.787 4.657 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.252 10.245 4.861 1.00 0.00 H new ATOM 537 N LEU A 36 6.447 5.676 6.742 1.00 0.00 N ATOM 538 CA LEU A 36 6.398 5.186 8.108 1.00 0.00 C ATOM 539 C LEU A 36 6.918 6.244 9.103 1.00 0.00 C ATOM 540 O LEU A 36 6.213 6.632 10.031 1.00 0.00 O ATOM 541 CB LEU A 36 7.263 3.910 8.109 1.00 0.00 C ATOM 542 CG LEU A 36 6.732 2.784 7.204 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.312 1.445 7.685 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.209 2.635 7.184 1.00 0.00 C ATOM 0 H LEU A 36 6.671 4.935 6.078 1.00 0.00 H new ATOM 0 HA LEU A 36 5.379 4.972 8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.273 4.170 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.336 3.536 9.130 1.00 0.00 H new ATOM 0 HG LEU A 36 7.042 3.054 6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.942 0.639 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.400 1.479 7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.006 1.265 8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.932 1.817 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.851 2.421 8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.757 3.561 6.828 1.00 0.00 H new ATOM 555 N GLU A 37 8.129 6.753 8.860 1.00 0.00 N ATOM 556 CA GLU A 37 8.827 7.738 9.681 1.00 0.00 C ATOM 557 C GLU A 37 8.065 9.074 9.818 1.00 0.00 C ATOM 558 O GLU A 37 8.221 9.787 10.808 1.00 0.00 O ATOM 559 CB GLU A 37 10.205 7.975 9.036 1.00 0.00 C ATOM 560 CG GLU A 37 11.058 6.698 8.897 1.00 0.00 C ATOM 561 CD GLU A 37 12.367 6.958 8.158 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.270 7.542 8.793 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.442 6.566 6.972 1.00 0.00 O ATOM 0 H GLU A 37 8.674 6.473 8.044 1.00 0.00 H new ATOM 0 HA GLU A 37 8.914 7.347 10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.062 8.414 8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.754 8.704 9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.275 6.298 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.487 5.938 8.365 1.00 0.00 H new ATOM 568 N GLU A 38 7.280 9.431 8.796 1.00 0.00 N ATOM 569 CA GLU A 38 6.635 10.729 8.604 1.00 0.00 C ATOM 570 C GLU A 38 5.142 10.730 8.987 1.00 0.00 C ATOM 571 O GLU A 38 4.643 11.674 9.599 1.00 0.00 O ATOM 572 CB GLU A 38 6.861 11.097 7.129 1.00 0.00 C ATOM 573 CG GLU A 38 6.122 12.365 6.680 1.00 0.00 C ATOM 574 CD GLU A 38 6.514 12.778 5.266 1.00 0.00 C ATOM 575 OE1 GLU A 38 5.880 12.249 4.328 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.445 13.602 5.154 1.00 0.00 O ATOM 0 H GLU A 38 7.067 8.782 8.038 1.00 0.00 H new ATOM 0 HA GLU A 38 7.072 11.473 9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.929 11.232 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.542 10.263 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.046 12.194 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.343 13.179 7.371 1.00 0.00 H new ATOM 581 N HIS A 39 4.407 9.686 8.597 1.00 0.00 N ATOM 582 CA HIS A 39 2.952 9.600 8.678 1.00 0.00 C ATOM 583 C HIS A 39 2.391 9.834 10.095 1.00 0.00 C ATOM 584 O HIS A 39 2.667 9.044 10.998 1.00 0.00 O ATOM 585 CB HIS A 39 2.540 8.216 8.170 1.00 0.00 C ATOM 586 CG HIS A 39 1.051 7.983 8.135 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.404 6.911 8.699 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.133 8.682 7.397 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.877 6.958 8.280 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.098 8.028 7.485 1.00 0.00 N ATOM 0 H HIS A 39 4.828 8.846 8.201 1.00 0.00 H new ATOM 0 HA HIS A 39 2.533 10.399 8.066 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.941 8.077 7.166 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.999 7.458 8.805 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.815 6.212 9.318 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.328 9.587 6.841 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.631 6.232 8.546 1.00 0.00 H new ATOM 597 N PRO A 40 1.530 10.848 10.304 1.00 0.00 N ATOM 598 CA PRO A 40 0.957 11.144 11.615 1.00 0.00 C ATOM 599 C PRO A 40 0.048 10.022 12.141 1.00 0.00 C ATOM 600 O PRO A 40 -0.137 9.898 13.348 1.00 0.00 O ATOM 601 CB PRO A 40 0.227 12.480 11.457 1.00 0.00 C ATOM 602 CG PRO A 40 -0.133 12.501 9.975 1.00 0.00 C ATOM 603 CD PRO A 40 1.047 11.798 9.314 1.00 0.00 C ATOM 0 HA PRO A 40 1.736 11.213 12.374 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.660 12.532 12.089 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.863 13.322 11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.071 11.980 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.252 13.519 9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.741 11.291 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.825 12.510 9.039 1.00 0.00 H new ATOM 608 N GLY A 41 -0.489 9.174 11.256 1.00 0.00 N ATOM 609 CA GLY A 41 -1.166 7.938 11.655 1.00 0.00 C ATOM 610 C GLY A 41 -0.252 6.974 12.438 1.00 0.00 C ATOM 611 O GLY A 41 -0.750 6.109 13.152 1.00 0.00 O ATOM 0 H GLY A 41 -0.466 9.326 10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.032 8.187 12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.540 7.432 10.765 1.00 0.00 H new ATOM 615 N GLY A 42 1.076 7.094 12.279 1.00 0.00 N ATOM 616 CA GLY A 42 2.091 6.213 12.853 1.00 0.00 C ATOM 617 C GLY A 42 2.716 5.327 11.772 1.00 0.00 C ATOM 618 O GLY A 42 2.194 5.262 10.650 1.00 0.00 O ATOM 0 H GLY A 42 1.484 7.844 11.720 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.866 6.809 13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.642 5.589 13.626 1.00 0.00 H new ATOM 622 N GLU A 43 3.795 4.604 12.108 1.00 0.00 N ATOM 623 CA GLU A 43 4.308 3.573 11.210 1.00 0.00 C ATOM 624 C GLU A 43 3.379 2.361 11.301 1.00 0.00 C ATOM 625 O GLU A 43 2.948 1.762 10.317 1.00 0.00 O ATOM 626 CB GLU A 43 5.696 3.043 11.625 1.00 0.00 C ATOM 627 CG GLU A 43 6.857 3.978 11.977 1.00 0.00 C ATOM 628 CD GLU A 43 8.140 3.192 12.256 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.103 1.948 12.083 1.00 0.00 O ATOM 630 OE2 GLU A 43 9.144 3.837 12.613 1.00 0.00 O ATOM 0 H GLU A 43 4.316 4.714 12.978 1.00 0.00 H new ATOM 0 HA GLU A 43 4.370 4.024 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.539 2.399 12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.043 2.405 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.027 4.675 11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.595 4.573 12.852 1.00 0.00 H new ATOM 635 N GLU A 44 3.106 1.981 12.546 1.00 0.00 N ATOM 636 CA GLU A 44 2.463 0.747 12.927 1.00 0.00 C ATOM 637 C GLU A 44 1.061 0.707 12.392 1.00 0.00 C ATOM 638 O GLU A 44 0.610 -0.344 11.982 1.00 0.00 O ATOM 639 CB GLU A 44 2.496 0.463 14.430 1.00 0.00 C ATOM 640 CG GLU A 44 2.624 1.681 15.374 1.00 0.00 C ATOM 641 CD GLU A 44 3.962 2.412 15.317 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.923 1.890 15.913 1.00 0.00 O ATOM 643 OE2 GLU A 44 3.985 3.453 14.615 1.00 0.00 O ATOM 0 H GLU A 44 3.343 2.562 13.350 1.00 0.00 H new ATOM 0 HA GLU A 44 3.046 -0.056 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.585 -0.074 14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.331 -0.209 14.629 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.831 2.390 15.135 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.455 1.346 16.397 1.00 0.00 H new ATOM 648 N HIS A 45 0.394 1.847 12.322 1.00 0.00 N ATOM 649 CA HIS A 45 -0.926 1.891 11.741 1.00 0.00 C ATOM 650 C HIS A 45 -0.932 1.638 10.230 1.00 0.00 C ATOM 651 O HIS A 45 -1.926 1.171 9.682 1.00 0.00 O ATOM 652 CB HIS A 45 -1.551 3.217 12.144 1.00 0.00 C ATOM 653 CG HIS A 45 -3.026 3.277 11.863 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.932 2.248 11.999 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.708 4.372 11.415 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.134 2.718 11.631 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.052 4.012 11.274 1.00 0.00 N ATOM 0 H HIS A 45 0.745 2.743 12.658 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.532 1.071 12.127 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.382 3.384 13.208 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.051 4.026 11.611 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.727 1.302 12.321 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.285 5.343 11.207 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.044 2.136 11.623 1.00 0.00 H new ATOM 664 N LEU A 46 0.197 1.868 9.552 1.00 0.00 N ATOM 665 CA LEU A 46 0.354 1.436 8.169 1.00 0.00 C ATOM 666 C LEU A 46 0.797 -0.024 8.144 1.00 0.00 C ATOM 667 O LEU A 46 0.316 -0.808 7.334 1.00 0.00 O ATOM 668 CB LEU A 46 1.361 2.333 7.435 1.00 0.00 C ATOM 669 CG LEU A 46 0.912 3.798 7.320 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.063 4.639 6.757 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.307 3.943 6.404 1.00 0.00 C ATOM 0 H LEU A 46 1.009 2.349 9.940 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.601 1.523 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.317 2.295 7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.528 1.934 6.435 1.00 0.00 H new ATOM 0 HG LEU A 46 0.635 4.145 8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.747 5.679 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.922 4.573 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.339 4.264 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.596 4.992 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.058 3.580 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.136 3.360 6.806 1.00 0.00 H new ATOM 682 N ARG A 47 1.691 -0.400 9.059 1.00 0.00 N ATOM 683 CA ARG A 47 2.321 -1.719 9.090 1.00 0.00 C ATOM 684 C ARG A 47 1.258 -2.789 9.361 1.00 0.00 C ATOM 685 O ARG A 47 1.183 -3.810 8.687 1.00 0.00 O ATOM 686 CB ARG A 47 3.435 -1.680 10.138 1.00 0.00 C ATOM 687 CG ARG A 47 4.421 -2.849 10.013 1.00 0.00 C ATOM 688 CD ARG A 47 5.549 -2.774 11.058 1.00 0.00 C ATOM 689 NE ARG A 47 6.704 -1.958 10.611 1.00 0.00 N ATOM 690 CZ ARG A 47 7.141 -0.792 11.111 1.00 0.00 C ATOM 691 NH1 ARG A 47 6.438 -0.076 11.972 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.321 -0.303 10.767 1.00 0.00 N ATOM 0 H ARG A 47 2.002 0.214 9.812 1.00 0.00 H new ATOM 0 HA ARG A 47 2.772 -1.980 8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.981 -0.741 10.045 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.990 -1.693 11.133 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.883 -3.790 10.129 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.854 -2.851 9.013 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.152 -2.355 11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.892 -3.783 11.287 1.00 0.00 H new ATOM 0 HE ARG A 47 7.234 -2.331 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.524 -0.405 12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.810 0.805 12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.914 -0.814 10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.638 0.585 11.156 1.00 0.00 H new ATOM 703 N GLU A 48 0.413 -2.478 10.338 1.00 0.00 N ATOM 704 CA GLU A 48 -0.864 -3.118 10.665 1.00 0.00 C ATOM 705 C GLU A 48 -1.623 -3.589 9.412 1.00 0.00 C ATOM 706 O GLU A 48 -1.984 -4.758 9.292 1.00 0.00 O ATOM 707 CB GLU A 48 -1.685 -2.055 11.415 1.00 0.00 C ATOM 708 CG GLU A 48 -3.177 -2.340 11.659 1.00 0.00 C ATOM 709 CD GLU A 48 -3.935 -1.037 11.889 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.584 -0.318 12.849 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.818 -0.735 11.059 1.00 0.00 O ATOM 0 H GLU A 48 0.617 -1.709 10.976 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.695 -4.013 11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.213 -1.889 12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.609 -1.120 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.598 -2.867 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.293 -2.993 12.524 1.00 0.00 H new ATOM 716 N GLN A 49 -1.879 -2.659 8.487 1.00 0.00 N ATOM 717 CA GLN A 49 -2.619 -2.923 7.255 1.00 0.00 C ATOM 718 C GLN A 49 -1.741 -3.571 6.182 1.00 0.00 C ATOM 719 O GLN A 49 -2.218 -4.318 5.329 1.00 0.00 O ATOM 720 CB GLN A 49 -3.088 -1.595 6.655 1.00 0.00 C ATOM 721 CG GLN A 49 -4.163 -0.824 7.416 1.00 0.00 C ATOM 722 CD GLN A 49 -5.446 -1.618 7.606 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.059 -2.059 6.645 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.911 -1.765 8.834 1.00 0.00 N ATOM 0 H GLN A 49 -1.573 -1.690 8.576 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.442 -3.587 7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.218 -0.946 6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.462 -1.792 5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.773 -0.537 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.389 0.097 6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.388 -1.391 9.626 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.793 -2.252 8.990 1.00 0.00 H new ATOM 731 N ALA A 50 -0.468 -3.180 6.180 1.00 0.00 N ATOM 732 CA ALA A 50 0.477 -3.434 5.113 1.00 0.00 C ATOM 733 C ALA A 50 0.517 -4.869 4.588 1.00 0.00 C ATOM 734 O ALA A 50 0.286 -5.852 5.289 1.00 0.00 O ATOM 735 CB ALA A 50 1.883 -3.054 5.580 1.00 0.00 C ATOM 0 H ALA A 50 -0.058 -2.658 6.955 1.00 0.00 H new ATOM 0 HA ALA A 50 0.129 -2.821 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.597 -3.244 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.906 -1.996 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.150 -3.650 6.453 1.00 0.00 H new ATOM 741 N GLY A 51 0.881 -4.960 3.313 1.00 0.00 N ATOM 742 CA GLY A 51 0.930 -6.214 2.572 1.00 0.00 C ATOM 743 C GLY A 51 -0.335 -6.444 1.746 1.00 0.00 C ATOM 744 O GLY A 51 -0.496 -7.502 1.134 1.00 0.00 O ATOM 0 H GLY A 51 1.155 -4.150 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.798 -6.211 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.063 -7.041 3.269 1.00 0.00 H new ATOM 748 N GLY A 52 -1.218 -5.441 1.721 1.00 0.00 N ATOM 749 CA GLY A 52 -2.359 -5.362 0.834 1.00 0.00 C ATOM 750 C GLY A 52 -3.460 -4.460 1.391 1.00 0.00 C ATOM 751 O GLY A 52 -3.169 -3.525 2.134 1.00 0.00 O ATOM 0 H GLY A 52 -1.146 -4.637 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.038 -4.984 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.759 -6.362 0.669 1.00 0.00 H new ATOM 755 N ASP A 53 -4.687 -4.692 0.920 1.00 0.00 N ATOM 756 CA ASP A 53 -5.949 -4.080 1.311 1.00 0.00 C ATOM 757 C ASP A 53 -5.903 -3.286 2.616 1.00 0.00 C ATOM 758 O ASP A 53 -5.930 -3.806 3.730 1.00 0.00 O ATOM 759 CB ASP A 53 -7.142 -5.030 1.231 1.00 0.00 C ATOM 760 CG ASP A 53 -8.455 -4.236 1.257 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.391 -2.988 1.403 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.501 -4.890 1.086 1.00 0.00 O ATOM 0 H ASP A 53 -4.830 -5.382 0.183 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.116 -3.326 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.084 -5.622 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.115 -5.730 2.066 1.00 0.00 H new ATOM 766 N ALA A 54 -5.850 -1.988 2.385 1.00 0.00 N ATOM 767 CA ALA A 54 -5.934 -0.908 3.334 1.00 0.00 C ATOM 768 C ALA A 54 -6.855 0.143 2.722 1.00 0.00 C ATOM 769 O ALA A 54 -6.777 1.323 3.046 1.00 0.00 O ATOM 770 CB ALA A 54 -4.495 -0.441 3.494 1.00 0.00 C ATOM 0 H ALA A 54 -5.736 -1.636 1.435 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.344 -1.160 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.458 0.386 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.884 -1.264 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.111 -0.109 2.529 1.00 0.00 H new ATOM 776 N THR A 55 -7.734 -0.300 1.816 1.00 0.00 N ATOM 777 CA THR A 55 -8.611 0.559 1.041 1.00 0.00 C ATOM 778 C THR A 55 -9.681 1.116 1.974 1.00 0.00 C ATOM 779 O THR A 55 -9.862 2.330 2.074 1.00 0.00 O ATOM 780 CB THR A 55 -9.176 -0.278 -0.115 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.135 -0.645 -0.999 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.222 0.489 -0.923 1.00 0.00 C ATOM 0 H THR A 55 -7.851 -1.291 1.603 1.00 0.00 H new ATOM 0 HA THR A 55 -8.095 1.415 0.606 1.00 0.00 H new ATOM 0 HB THR A 55 -9.644 -1.156 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.303 -0.762 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.593 -0.143 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.050 0.771 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.770 1.387 -1.344 1.00 0.00 H new ATOM 790 N GLU A 56 -10.321 0.221 2.728 1.00 0.00 N ATOM 791 CA GLU A 56 -11.266 0.605 3.765 1.00 0.00 C ATOM 792 C GLU A 56 -10.588 1.507 4.807 1.00 0.00 C ATOM 793 O GLU A 56 -11.050 2.616 5.065 1.00 0.00 O ATOM 794 CB GLU A 56 -11.890 -0.661 4.364 1.00 0.00 C ATOM 795 CG GLU A 56 -13.024 -0.319 5.341 1.00 0.00 C ATOM 796 CD GLU A 56 -13.824 -1.552 5.745 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.395 -2.217 6.712 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.843 -1.808 5.069 1.00 0.00 O ATOM 0 H GLU A 56 -10.196 -0.787 2.634 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.076 1.200 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.276 -1.292 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.123 -1.236 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.605 0.149 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.691 0.410 4.881 1.00 0.00 H new ATOM 803 N ASN A 57 -9.438 1.077 5.348 1.00 0.00 N ATOM 804 CA ASN A 57 -8.710 1.863 6.343 1.00 0.00 C ATOM 805 C ASN A 57 -8.267 3.239 5.812 1.00 0.00 C ATOM 806 O ASN A 57 -8.268 4.223 6.551 1.00 0.00 O ATOM 807 CB ASN A 57 -7.552 1.045 6.948 1.00 0.00 C ATOM 808 CG ASN A 57 -7.921 0.559 8.346 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.430 -0.541 8.521 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.688 1.373 9.366 1.00 0.00 N ATOM 0 H ASN A 57 -8.996 0.189 5.110 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.403 2.087 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.326 0.193 6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.651 1.657 6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.933 1.086 10.314 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.263 2.286 9.203 1.00 0.00 H new ATOM 816 N PHE A 58 -7.907 3.329 4.529 1.00 0.00 N ATOM 817 CA PHE A 58 -7.572 4.600 3.893 1.00 0.00 C ATOM 818 C PHE A 58 -8.756 5.577 3.833 1.00 0.00 C ATOM 819 O PHE A 58 -8.570 6.734 4.199 1.00 0.00 O ATOM 820 CB PHE A 58 -6.988 4.360 2.498 1.00 0.00 C ATOM 821 CG PHE A 58 -6.520 5.617 1.787 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.572 6.457 2.401 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.900 5.856 0.453 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.017 7.538 1.695 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.285 6.888 -0.280 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.357 7.741 0.347 1.00 0.00 C ATOM 0 H PHE A 58 -7.841 2.524 3.906 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.818 5.077 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.147 3.672 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.741 3.868 1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.269 6.270 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.664 5.247 -0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.331 8.211 2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.525 7.026 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.907 8.551 -0.208 1.00 0.00 H new ATOM 835 N GLU A 59 -9.928 5.115 3.367 1.00 0.00 N ATOM 836 CA GLU A 59 -11.207 5.799 3.175 1.00 0.00 C ATOM 837 C GLU A 59 -11.904 6.149 4.500 1.00 0.00 C ATOM 838 O GLU A 59 -12.542 7.193 4.589 1.00 0.00 O ATOM 839 CB GLU A 59 -12.112 4.914 2.302 1.00 0.00 C ATOM 840 CG GLU A 59 -11.626 4.807 0.842 1.00 0.00 C ATOM 841 CD GLU A 59 -11.787 6.091 0.037 1.00 0.00 C ATOM 842 OE1 GLU A 59 -12.929 6.581 -0.056 1.00 0.00 O ATOM 843 OE2 GLU A 59 -10.756 6.566 -0.494 1.00 0.00 O ATOM 0 H GLU A 59 -10.005 4.138 3.084 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.011 6.750 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.162 3.915 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.125 5.317 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.575 4.519 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.176 4.008 0.345 1.00 0.00 H new ATOM 848 N ASP A 60 -11.778 5.295 5.523 1.00 0.00 N ATOM 849 CA ASP A 60 -12.257 5.537 6.883 1.00 0.00 C ATOM 850 C ASP A 60 -11.847 6.938 7.375 1.00 0.00 C ATOM 851 O ASP A 60 -12.683 7.808 7.611 1.00 0.00 O ATOM 852 CB ASP A 60 -11.699 4.411 7.760 1.00 0.00 C ATOM 853 CG ASP A 60 -12.077 4.597 9.219 1.00 0.00 C ATOM 854 OD1 ASP A 60 -13.206 4.197 9.570 1.00 0.00 O ATOM 855 OD2 ASP A 60 -11.230 5.157 9.945 1.00 0.00 O ATOM 0 H ASP A 60 -11.324 4.387 5.420 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.346 5.527 6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.077 3.452 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.613 4.380 7.666 1.00 0.00 H new ATOM 859 N VAL A 61 -10.535 7.166 7.458 1.00 0.00 N ATOM 860 CA VAL A 61 -9.959 8.495 7.654 1.00 0.00 C ATOM 861 C VAL A 61 -10.204 9.329 6.388 1.00 0.00 C ATOM 862 O VAL A 61 -10.536 10.511 6.437 1.00 0.00 O ATOM 863 CB VAL A 61 -8.453 8.347 7.937 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.763 9.712 8.068 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.227 7.544 9.222 1.00 0.00 C ATOM 0 H VAL A 61 -9.837 6.425 7.390 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.423 9.000 8.501 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.016 7.819 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.701 9.565 8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.884 10.271 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.213 10.270 8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.157 7.448 9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.696 8.059 10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.666 6.552 9.113 1.00 0.00 H new ATOM 875 N GLY A 62 -9.988 8.691 5.237 1.00 0.00 N ATOM 876 CA GLY A 62 -10.243 9.165 3.885 1.00 0.00 C ATOM 877 C GLY A 62 -9.272 10.245 3.410 1.00 0.00 C ATOM 878 O GLY A 62 -8.793 10.153 2.282 1.00 0.00 O ATOM 0 H GLY A 62 -9.597 7.749 5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.193 8.319 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.259 9.557 3.834 1.00 0.00 H new ATOM 882 N HIS A 63 -8.895 11.187 4.272 1.00 0.00 N ATOM 883 CA HIS A 63 -7.779 12.100 4.041 1.00 0.00 C ATOM 884 CB HIS A 63 -6.521 11.319 3.625 1.00 0.00 C ATOM 885 CG HIS A 63 -6.047 10.246 4.571 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.521 8.958 4.736 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.827 10.305 5.169 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.594 8.279 5.440 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.524 9.052 5.708 1.00 0.00 N ATOM 0 H HIS A 63 -9.364 11.339 5.165 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.712 10.858 2.656 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.709 12.032 3.485 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.407 8.590 4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.195 11.179 5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.696 7.249 5.749 1.00 0.00 H new ATOM 896 N SER A 64 -7.236 14.273 3.105 1.00 0.00 N ATOM 897 CA SER A 64 -7.142 15.337 2.114 1.00 0.00 C ATOM 898 C SER A 64 -6.735 14.811 0.726 1.00 0.00 C ATOM 899 O SER A 64 -5.986 13.841 0.607 1.00 0.00 O ATOM 900 CB SER A 64 -6.118 16.362 2.616 1.00 0.00 C ATOM 901 OG SER A 64 -6.566 16.942 3.826 1.00 0.00 O ATOM 0 HA SER A 64 -8.124 15.794 1.994 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.153 15.879 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.969 17.138 1.865 1.00 0.00 H new ATOM 0 HG SER A 64 -6.732 16.236 4.485 1.00 0.00 H new ATOM 906 N THR A 65 -7.174 15.497 -0.337 1.00 0.00 N ATOM 907 CA THR A 65 -6.703 15.283 -1.712 1.00 0.00 C ATOM 908 C THR A 65 -5.179 15.203 -1.749 1.00 0.00 C ATOM 909 O THR A 65 -4.640 14.299 -2.375 1.00 0.00 O ATOM 910 CB THR A 65 -7.182 16.439 -2.599 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.892 17.659 -1.947 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.691 16.371 -2.837 1.00 0.00 C ATOM 0 H THR A 65 -7.880 16.230 -0.264 1.00 0.00 H new ATOM 0 HA THR A 65 -7.109 14.342 -2.083 1.00 0.00 H new ATOM 0 HB THR A 65 -6.672 16.368 -3.560 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.192 18.407 -2.504 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.998 17.204 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.940 15.431 -3.330 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.213 16.429 -1.882 1.00 0.00 H new ATOM 920 N ASP A 66 -4.506 16.099 -1.024 1.00 0.00 N ATOM 921 CA ASP A 66 -3.078 16.065 -0.722 1.00 0.00 C ATOM 922 C ASP A 66 -2.519 14.634 -0.584 1.00 0.00 C ATOM 923 O ASP A 66 -1.548 14.278 -1.241 1.00 0.00 O ATOM 924 CB ASP A 66 -2.879 16.861 0.570 1.00 0.00 C ATOM 925 CG ASP A 66 -1.415 16.913 0.969 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.005 15.981 1.693 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.746 17.871 0.533 1.00 0.00 O ATOM 0 H ASP A 66 -4.969 16.909 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.524 16.504 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.257 17.874 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.460 16.407 1.372 1.00 0.00 H new ATOM 931 N ALA A 67 -3.172 13.792 0.219 1.00 0.00 N ATOM 932 CA ALA A 67 -2.760 12.411 0.455 1.00 0.00 C ATOM 933 C ALA A 67 -2.924 11.542 -0.802 1.00 0.00 C ATOM 934 O ALA A 67 -2.033 10.777 -1.173 1.00 0.00 O ATOM 935 CB ALA A 67 -3.565 11.843 1.629 1.00 0.00 C ATOM 0 H ALA A 67 -4.014 14.056 0.730 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.699 12.400 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.263 10.812 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.377 12.440 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.628 11.873 1.390 1.00 0.00 H new ATOM 941 N ARG A 68 -4.063 11.664 -1.483 1.00 0.00 N ATOM 942 CA ARG A 68 -4.318 10.975 -2.746 1.00 0.00 C ATOM 943 C ARG A 68 -3.302 11.388 -3.822 1.00 0.00 C ATOM 944 O ARG A 68 -2.728 10.533 -4.499 1.00 0.00 O ATOM 945 CB ARG A 68 -5.783 11.216 -3.165 1.00 0.00 C ATOM 946 CG ARG A 68 -6.762 10.270 -2.443 1.00 0.00 C ATOM 947 CD ARG A 68 -7.616 10.990 -1.387 1.00 0.00 C ATOM 948 NE ARG A 68 -8.155 10.074 -0.357 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.840 8.930 -0.485 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.315 8.462 -1.627 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.090 8.211 0.588 1.00 0.00 N ATOM 0 H ARG A 68 -4.839 12.248 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.182 9.901 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.055 12.249 -2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.877 11.079 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.418 9.804 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.199 9.469 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.013 11.758 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.443 11.499 -1.882 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.976 10.360 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.168 8.982 -2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.828 7.581 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.763 8.527 1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.610 7.338 0.507 1.00 0.00 H new ATOM 962 N GLU A 69 -3.022 12.685 -3.936 1.00 0.00 N ATOM 963 CA GLU A 69 -2.016 13.228 -4.837 1.00 0.00 C ATOM 964 C GLU A 69 -0.620 12.729 -4.465 1.00 0.00 C ATOM 965 O GLU A 69 0.116 12.223 -5.313 1.00 0.00 O ATOM 966 CB GLU A 69 -2.112 14.759 -4.817 1.00 0.00 C ATOM 967 CG GLU A 69 -3.360 15.246 -5.573 1.00 0.00 C ATOM 968 CD GLU A 69 -3.340 14.830 -7.037 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.293 15.016 -7.697 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.304 14.177 -7.498 1.00 0.00 O ATOM 0 H GLU A 69 -3.501 13.401 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.201 12.881 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.147 15.111 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.218 15.188 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.253 14.844 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.423 16.332 -5.506 1.00 0.00 H new ATOM 975 N LEU A 70 -0.278 12.810 -3.180 1.00 0.00 N ATOM 976 CA LEU A 70 0.965 12.278 -2.645 1.00 0.00 C ATOM 977 C LEU A 70 1.135 10.821 -3.047 1.00 0.00 C ATOM 978 O LEU A 70 2.187 10.411 -3.527 1.00 0.00 O ATOM 979 CB LEU A 70 1.030 12.385 -1.107 1.00 0.00 C ATOM 980 CG LEU A 70 2.332 11.800 -0.529 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.580 12.208 -1.303 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.572 12.247 0.908 1.00 0.00 C ATOM 0 H LEU A 70 -0.867 13.254 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 70 1.772 12.879 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.945 13.432 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.177 11.863 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 70 2.182 10.723 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.459 11.760 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.498 11.863 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.677 13.294 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.501 11.810 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.643 13.334 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.744 11.917 1.535 1.00 0.00 H new ATOM 993 N SER A 71 0.090 10.013 -2.882 1.00 0.00 N ATOM 994 CA SER A 71 0.253 8.583 -2.974 1.00 0.00 C ATOM 995 C SER A 71 0.721 8.092 -4.347 1.00 0.00 C ATOM 996 O SER A 71 1.270 7.002 -4.456 1.00 0.00 O ATOM 997 CB SER A 71 -1.051 7.917 -2.550 1.00 0.00 C ATOM 998 OG SER A 71 -2.007 8.001 -3.591 1.00 0.00 O ATOM 0 H SER A 71 -0.861 10.327 -2.687 1.00 0.00 H new ATOM 0 HA SER A 71 1.060 8.298 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.869 6.872 -2.298 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.438 8.399 -1.652 1.00 0.00 H new ATOM 0 HG SER A 71 -2.169 8.942 -3.811 1.00 0.00 H new ATOM 1003 N LYS A 72 0.606 8.925 -5.381 1.00 0.00 N ATOM 1004 CA LYS A 72 1.218 8.667 -6.688 1.00 0.00 C ATOM 1005 C LYS A 72 2.725 8.374 -6.551 1.00 0.00 C ATOM 1006 O LYS A 72 3.274 7.539 -7.264 1.00 0.00 O ATOM 1007 CB LYS A 72 0.958 9.861 -7.618 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.543 10.168 -7.666 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.861 11.375 -8.557 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.380 11.599 -8.579 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.738 12.925 -9.123 1.00 0.00 N ATOM 0 H LYS A 72 0.085 9.801 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 72 0.763 7.778 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.506 10.735 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.325 9.639 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.079 9.294 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.905 10.359 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.356 12.264 -8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.492 11.203 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.852 10.822 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.775 11.504 -7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.687 13.192 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.047 13.631 -8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.733 12.887 -10.162 1.00 0.00 H new ATOM 1021 N THR A 73 3.372 9.035 -5.586 1.00 0.00 N ATOM 1022 CA THR A 73 4.782 8.835 -5.199 1.00 0.00 C ATOM 1023 C THR A 73 5.049 7.567 -4.379 1.00 0.00 C ATOM 1024 O THR A 73 6.182 7.104 -4.268 1.00 0.00 O ATOM 1025 CB THR A 73 5.333 10.089 -4.485 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.647 10.350 -4.930 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.396 9.988 -2.951 1.00 0.00 C ATOM 0 H THR A 73 2.914 9.755 -5.027 1.00 0.00 H new ATOM 0 HA THR A 73 5.322 8.682 -6.133 1.00 0.00 H new ATOM 0 HB THR A 73 4.629 10.882 -4.736 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.994 11.147 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.796 10.916 -2.541 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.394 9.819 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.043 9.158 -2.667 1.00 0.00 H new ATOM 1035 N PHE A 74 3.996 7.012 -3.793 1.00 0.00 N ATOM 1036 CA PHE A 74 4.005 5.803 -2.985 1.00 0.00 C ATOM 1037 C PHE A 74 3.620 4.596 -3.825 1.00 0.00 C ATOM 1038 O PHE A 74 3.988 3.464 -3.527 1.00 0.00 O ATOM 1039 CB PHE A 74 3.025 6.033 -1.853 1.00 0.00 C ATOM 1040 CG PHE A 74 3.454 7.081 -0.835 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.803 7.472 -0.670 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.487 7.564 0.060 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.162 8.389 0.332 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.853 8.447 1.084 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.166 8.923 1.163 1.00 0.00 C ATOM 0 H PHE A 74 3.063 7.416 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 74 4.999 5.595 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.066 6.331 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.864 5.088 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.563 7.063 -1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.457 7.254 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.194 8.680 0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.121 8.761 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.414 9.704 1.866 1.00 0.00 H new ATOM 1054 N ILE A 75 2.846 4.833 -4.875 1.00 0.00 N ATOM 1055 CA ILE A 75 2.381 3.778 -5.734 1.00 0.00 C ATOM 1056 C ILE A 75 3.524 3.127 -6.501 1.00 0.00 C ATOM 1057 O ILE A 75 4.424 3.789 -7.012 1.00 0.00 O ATOM 1058 CB ILE A 75 1.301 4.339 -6.668 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.020 4.214 -5.905 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.249 3.660 -8.045 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.197 4.547 -6.797 1.00 0.00 C ATOM 0 H ILE A 75 2.529 5.764 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 75 1.944 2.985 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 75 1.526 5.377 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.127 3.200 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.011 4.883 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.460 4.114 -8.645 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.207 3.787 -8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.043 2.597 -7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.123 4.450 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.100 5.570 -7.161 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.217 3.861 -7.644 1.00 0.00 H new ATOM 1072 N ILE A 76 3.417 1.808 -6.625 1.00 0.00 N ATOM 1073 CA ILE A 76 4.254 0.992 -7.493 1.00 0.00 C ATOM 1074 C ILE A 76 3.435 0.405 -8.659 1.00 0.00 C ATOM 1075 O ILE A 76 3.968 0.184 -9.745 1.00 0.00 O ATOM 1076 CB ILE A 76 4.981 -0.063 -6.653 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.972 -0.975 -5.942 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.902 0.626 -5.634 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.703 -2.055 -5.138 1.00 0.00 C ATOM 0 H ILE A 76 2.726 1.263 -6.109 1.00 0.00 H new ATOM 0 HA ILE A 76 5.020 1.609 -7.963 1.00 0.00 H new ATOM 0 HB ILE A 76 5.589 -0.682 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.341 -0.383 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.314 -1.441 -6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.416 -0.129 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.636 1.235 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.307 1.261 -4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.974 -2.694 -4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.314 -2.658 -5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.342 -1.583 -4.392 1.00 0.00 H new ATOM 1090 N GLY A 77 2.128 0.197 -8.456 1.00 0.00 N ATOM 1091 CA GLY A 77 1.205 -0.136 -9.534 1.00 0.00 C ATOM 1092 C GLY A 77 -0.084 -0.784 -9.040 1.00 0.00 C ATOM 1093 O GLY A 77 -0.922 -0.079 -8.486 1.00 0.00 O ATOM 0 H GLY A 77 1.687 0.256 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.960 0.771 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.700 -0.811 -10.232 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.253 -2.097 -9.239 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.532 -2.793 -9.039 1.00 0.00 C ATOM 1099 C GLU A 78 -1.410 -4.176 -8.374 1.00 0.00 C ATOM 1100 O GLU A 78 -0.347 -4.778 -8.324 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.223 -2.928 -10.402 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.792 -1.626 -11.008 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.314 -1.533 -11.006 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.953 -2.548 -11.365 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.830 -0.440 -10.687 1.00 0.00 O ATOM 0 H GLU A 78 0.500 -2.712 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.117 -2.191 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.509 -3.351 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.038 -3.645 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.389 -0.778 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.438 -1.534 -12.035 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.554 -4.682 -7.909 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.815 -5.995 -7.300 1.00 0.00 C ATOM 1112 C LEU A 79 -2.869 -7.148 -8.274 1.00 0.00 C ATOM 1113 O LEU A 79 -3.010 -8.278 -7.833 1.00 0.00 O ATOM 1114 CB LEU A 79 -4.127 -5.842 -6.499 1.00 0.00 C ATOM 1115 CG LEU A 79 -5.012 -7.071 -6.224 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.444 -7.993 -5.152 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.355 -6.550 -5.715 1.00 0.00 C ATOM 0 H LEU A 79 -3.410 -4.129 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.976 -6.266 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.868 -5.407 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.743 -5.111 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.086 -7.646 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.116 -8.839 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.465 -8.356 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.344 -7.444 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.016 -7.391 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.200 -5.975 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.808 -5.911 -6.473 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.732 -6.875 -9.570 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.850 -7.876 -10.618 1.00 0.00 C ATOM 1130 C HIS A 80 -4.308 -8.272 -10.782 1.00 0.00 C ATOM 1131 O HIS A 80 -5.096 -8.301 -9.837 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.918 -9.058 -10.349 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.538 -9.959 -11.490 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.113 -11.142 -11.860 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.476 -9.750 -12.326 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.513 -11.550 -12.988 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.494 -10.740 -13.308 1.00 0.00 N ATOM 0 H HIS A 80 -2.533 -5.939 -9.922 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.525 -7.459 -11.571 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.997 -8.661 -9.922 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.384 -9.677 -9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.251 -8.956 -12.240 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.811 -12.415 -13.562 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.137 -10.829 -14.104 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.752 -8.458 -12.019 1.00 0.00 N ATOM 1145 CA PRO A 81 -6.077 -8.981 -12.218 1.00 0.00 C ATOM 1146 C PRO A 81 -6.172 -10.450 -11.850 1.00 0.00 C ATOM 1147 O PRO A 81 -7.283 -10.933 -11.671 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.333 -8.803 -13.697 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.951 -8.857 -14.344 1.00 0.00 C ATOM 1150 CD PRO A 81 -4.056 -8.235 -13.281 1.00 0.00 C ATOM 0 HA PRO A 81 -6.804 -8.468 -11.588 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.981 -9.590 -14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.828 -7.853 -13.901 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.653 -9.879 -14.576 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.920 -8.296 -15.278 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.070 -8.700 -13.275 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.906 -7.171 -13.466 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.040 -11.148 -11.704 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.135 -12.611 -11.497 1.00 0.00 C ATOM 1157 C ASP A 82 -5.120 -12.946 -10.000 1.00 0.00 C ATOM 1158 O ASP A 82 -4.542 -13.935 -9.555 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.115 -13.366 -12.367 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.555 -14.776 -12.741 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.687 -14.907 -13.253 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.718 -15.688 -12.575 1.00 0.00 O ATOM 0 H ASP A 82 -4.097 -10.760 -11.722 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.099 -12.976 -11.851 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.936 -12.797 -13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.166 -13.420 -11.834 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.734 -12.041 -9.237 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.689 -11.969 -7.799 1.00 0.00 C ATOM 1168 C ASP A 83 -7.035 -11.434 -7.254 1.00 0.00 C ATOM 1169 O ASP A 83 -7.650 -12.037 -6.377 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.489 -11.060 -7.530 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.856 -11.411 -6.209 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.609 -11.460 -5.216 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.629 -11.654 -6.225 1.00 0.00 O ATOM 0 H ASP A 83 -6.306 -11.301 -9.643 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.564 -12.926 -7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.757 -11.165 -8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.807 -10.018 -7.523 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.492 -10.316 -7.835 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.829 -9.733 -7.677 1.00 0.00 C ATOM 1179 C ARG A 84 -9.985 -10.740 -7.804 1.00 0.00 C ATOM 1180 O ARG A 84 -10.926 -10.624 -6.986 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.006 -8.654 -8.754 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.230 -7.388 -8.405 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.286 -6.372 -9.551 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.979 -6.277 -10.233 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.417 -5.147 -10.685 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.012 -3.968 -10.600 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.220 -5.143 -11.245 1.00 0.00 N ATOM 1188 OXT ARG A 84 -9.958 -11.540 -8.766 1.00 0.00 O ATOM 0 H ARG A 84 -6.906 -9.765 -8.462 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.880 -9.336 -6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.665 -9.038 -9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.064 -8.416 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.643 -6.943 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.192 -7.642 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.054 -6.666 -10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.570 -5.394 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.460 -7.144 -10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.937 -3.893 -10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.546 -3.134 -10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.699 -6.015 -11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.817 -4.268 -11.580 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.778 8.587 6.549 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.342 11.317 8.614 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.212 10.708 4.253 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.427 5.936 4.327 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.455 6.542 8.789 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.241 10.607 6.508 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.638 11.520 7.436 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.354 12.830 6.907 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.616 12.658 5.759 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.649 11.250 5.453 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.049 13.756 4.888 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.051 14.100 7.347 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.566 14.096 7.132 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.029 14.334 5.691 1.00 0.00 C HETATM 1214 O1A HEM A 201 -4.332 13.897 4.753 1.00 0.00 O HETATM 1215 O2A HEM A 201 -6.116 14.929 5.532 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.938 8.357 4.677 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.343 9.357 3.940 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.888 8.781 2.699 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.185 7.444 2.764 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.905 7.179 3.979 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.333 9.545 1.525 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.533 6.359 1.939 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.853 6.204 0.641 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.355 6.602 6.541 1.00 0.00 N HETATM 1225 C1C HEM A 201 -3.121 5.713 5.512 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.746 4.459 5.856 1.00 0.00 C HETATM 1227 C3C HEM A 201 -4.273 4.643 7.115 1.00 0.00 C HETATM 1228 C4C HEM A 201 -4.042 5.997 7.556 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.826 3.219 4.981 1.00 0.00 C HETATM 1230 CAC HEM A 201 -5.051 3.615 7.898 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.471 2.448 8.249 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.678 8.870 8.419 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.274 7.886 9.149 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.718 8.490 10.391 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.484 9.846 10.299 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.777 10.070 9.060 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.353 7.789 11.568 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.860 10.908 11.318 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.297 10.878 11.828 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.605 12.101 12.682 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.638 13.205 12.095 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.781 11.912 13.903 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.232 13.358 4.287 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -0.676 14.564 5.518 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -1.830 14.139 4.231 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.384 8.921 0.991 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.164 10.447 1.880 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.146 9.820 0.853 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.844 3.514 3.932 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.734 2.665 5.218 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.957 2.587 5.165 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.100 8.318 12.487 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.982 6.765 11.625 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.436 7.776 11.443 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.378 5.419 0.053 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.587 6.864 0.178 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -5.036 1.707 8.815 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.438 2.246 7.967 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.008 14.863 7.768 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -4.960 13.137 7.468 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.621 14.942 6.805 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -2.847 14.264 8.405 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.459 9.973 12.413 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -6.985 10.839 10.983 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -4.674 11.887 10.876 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.191 10.813 12.174 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.567 12.179 9.224 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.750 11.363 3.529 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.287 5.109 3.647 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.939 5.887 9.498 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.201 5.697 2.398 1.00 0.00 H new HETATM 0 HAC HEM A 201 -6.084 3.815 8.181 1.00 0.00 H new