USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot -104:sc= 1.24 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 63 ASN : amide:sc= -0.717 K(o=-2.6,f=-3.9) USER MOD Set 2.2: A 74 TYR OH : rot 109:sc= -1.86! USER MOD Set 3.1: A 39 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-4.4!) USER MOD Set 3.2: A 56 ASN : amide:sc= -0.0181 K(o=-3.6,f=-4.4) USER MOD Set 4.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 104 HEC O2A : rot -129:sc= -3.27! USER MOD Set 5.1: A 19 THR OG1 : rot 100:sc= 0.108 USER MOD Set 5.2: A 31 ASN : amide:sc= -7.68! C(o=-16!,f=-23!) USER MOD Set 5.3: A 33 HIS : no HE2:sc= -8.53! C(o=-16!,f=-28!) USER MOD Single : A 2 SER OG : rot -65:sc= 1.16 USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= -0.0529 (180deg=-0.346) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 150:sc= 0.00122 (180deg=-0.117) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= -0.129 (180deg=-0.677) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.049 X(o=-0.049,f=0.35) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.0734 (180deg=-0.44) USER MOD Single : A 40 SER OG : rot 130:sc= -0.973 USER MOD Single : A 42 GLN : amide:sc= -5.45! C(o=-5.4!,f=-5.3!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 52 ASN : amide:sc= -3.43! C(o=-3.4!,f=-5.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.0031) USER MOD Single : A 64 MET CE :methyl 143:sc= -7.21! (180deg=-12.6!) USER MOD Single : A 65 SER OG : rot -152:sc= -4.74! USER MOD Single : A 69 THR OG1 : rot 59:sc= 0.812 USER MOD Single : A 70 ASN : amide:sc= -4.01! C(o=-4!,f=-6.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 169:sc= -2.9 (180deg=-3.67!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 150:sc= -0.142 (180deg=-0.667) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.423 K(o=-0.42,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 51:sc= -0.14! USER MOD Single : A 97 TYR OH : rot 180:sc= -0.824 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -156:sc= -0.0824 (180deg=-0.513) USER MOD Single : A 102 SER OG : rot 80:sc= 0.491 USER MOD Single : A 104 HEC O2D : rot -140:sc= -0.0138 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 10.717 -14.612 -6.060 1.00 0.00 N ATOM 2 CA THR A -5 9.962 -14.259 -7.250 1.00 0.00 C ATOM 3 C THR A -5 8.723 -15.149 -7.379 1.00 0.00 C ATOM 4 O THR A -5 8.813 -16.367 -7.239 1.00 0.00 O ATOM 5 CB THR A -5 10.904 -14.351 -8.452 1.00 0.00 C ATOM 6 OG1 THR A -5 10.088 -13.986 -9.561 1.00 0.00 O ATOM 7 CG2 THR A -5 11.325 -15.790 -8.757 1.00 0.00 C ATOM 0 H1 THR A -5 11.726 -14.417 -6.219 1.00 0.00 H new ATOM 0 H2 THR A -5 10.378 -14.049 -5.254 1.00 0.00 H new ATOM 0 H3 THR A -5 10.588 -15.623 -5.854 1.00 0.00 H new ATOM 0 HA THR A -5 9.585 -13.238 -7.191 1.00 0.00 H new ATOM 0 HB THR A -5 11.791 -13.745 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A -5 10.620 -14.017 -10.383 1.00 0.00 H new ATOM 0 HG21 THR A -5 11.993 -15.799 -9.618 1.00 0.00 H new ATOM 0 HG22 THR A -5 11.841 -16.209 -7.893 1.00 0.00 H new ATOM 0 HG23 THR A -5 10.441 -16.389 -8.977 1.00 0.00 H new ATOM 15 N GLU A -4 7.597 -14.504 -7.644 1.00 0.00 N ATOM 16 CA GLU A -4 6.342 -15.221 -7.794 1.00 0.00 C ATOM 17 C GLU A -4 5.909 -15.819 -6.454 1.00 0.00 C ATOM 18 O GLU A -4 6.030 -17.025 -6.240 1.00 0.00 O ATOM 19 CB GLU A -4 6.454 -16.305 -8.867 1.00 0.00 C ATOM 20 CG GLU A -4 5.071 -16.725 -9.369 1.00 0.00 C ATOM 21 CD GLU A -4 4.694 -15.962 -10.640 1.00 0.00 C ATOM 22 OE1 GLU A -4 4.979 -14.745 -10.677 1.00 0.00 O ATOM 23 OE2 GLU A -4 4.129 -16.612 -11.546 1.00 0.00 O ATOM 0 H GLU A -4 7.527 -13.493 -7.759 1.00 0.00 H new ATOM 0 HA GLU A -4 5.579 -14.513 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A -4 7.051 -15.936 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A -4 6.976 -17.171 -8.461 1.00 0.00 H new ATOM 0 HG2 GLU A -4 5.062 -17.797 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A -4 4.327 -16.539 -8.595 1.00 0.00 H new ATOM 30 N PHE A -3 5.415 -14.949 -5.585 1.00 0.00 N ATOM 31 CA PHE A -3 4.964 -15.377 -4.272 1.00 0.00 C ATOM 32 C PHE A -3 3.951 -16.518 -4.384 1.00 0.00 C ATOM 33 O PHE A -3 3.574 -16.911 -5.487 1.00 0.00 O ATOM 34 CB PHE A -3 4.286 -14.171 -3.617 1.00 0.00 C ATOM 35 CG PHE A -3 2.795 -14.048 -3.935 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.377 -14.002 -5.229 1.00 0.00 C ATOM 37 CD2 PHE A -3 1.887 -13.984 -2.925 1.00 0.00 C ATOM 38 CE1 PHE A -3 0.992 -13.888 -5.524 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.503 -13.869 -3.220 1.00 0.00 C ATOM 40 CZ PHE A -3 0.085 -13.823 -4.513 1.00 0.00 C ATOM 0 H PHE A -3 5.317 -13.950 -5.765 1.00 0.00 H new ATOM 0 HA PHE A -3 5.811 -15.736 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.412 -14.238 -2.536 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.793 -13.262 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.098 -14.052 -6.032 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.219 -14.021 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.660 -13.853 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -0.218 -13.818 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.968 -13.735 -4.737 1.00 0.00 H new ATOM 50 N LYS A -2 3.540 -17.017 -3.228 1.00 0.00 N ATOM 51 CA LYS A -2 2.578 -18.105 -3.183 1.00 0.00 C ATOM 52 C LYS A -2 1.161 -17.528 -3.195 1.00 0.00 C ATOM 53 O LYS A -2 0.849 -16.622 -2.424 1.00 0.00 O ATOM 54 CB LYS A -2 2.859 -19.019 -1.989 1.00 0.00 C ATOM 55 CG LYS A -2 2.823 -20.491 -2.405 1.00 0.00 C ATOM 56 CD LYS A -2 2.436 -21.385 -1.225 1.00 0.00 C ATOM 57 CE LYS A -2 2.096 -22.800 -1.698 1.00 0.00 C ATOM 58 NZ LYS A -2 2.945 -23.796 -1.006 1.00 0.00 N ATOM 0 H LYS A -2 3.855 -16.688 -2.315 1.00 0.00 H new ATOM 0 HA LYS A -2 2.674 -18.735 -4.067 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.835 -18.781 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.120 -18.840 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS A -2 2.109 -20.626 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A -2 3.800 -20.789 -2.787 1.00 0.00 H new ATOM 0 HD2 LYS A -2 3.257 -21.424 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A -2 1.580 -20.956 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A -2 1.045 -23.012 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A -2 2.242 -22.875 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 2.701 -24.751 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 3.946 -23.602 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 2.785 -23.736 0.020 1.00 0.00 H new ATOM 72 N ALA A -1 0.341 -18.077 -4.079 1.00 0.00 N ATOM 73 CA ALA A -1 -1.036 -17.628 -4.203 1.00 0.00 C ATOM 74 C ALA A -1 -1.831 -18.097 -2.983 1.00 0.00 C ATOM 75 O ALA A -1 -1.465 -19.078 -2.338 1.00 0.00 O ATOM 76 CB ALA A -1 -1.626 -18.144 -5.517 1.00 0.00 C ATOM 0 H ALA A -1 0.603 -18.829 -4.716 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.084 -16.539 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.658 -17.807 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -1.043 -17.760 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -1.598 -19.234 -5.525 1.00 0.00 H new ATOM 82 N GLY A 1 -2.906 -17.373 -2.703 1.00 0.00 N ATOM 83 CA GLY A 1 -3.756 -17.703 -1.572 1.00 0.00 C ATOM 84 C GLY A 1 -5.150 -18.126 -2.039 1.00 0.00 C ATOM 85 O GLY A 1 -5.287 -18.819 -3.046 1.00 0.00 O ATOM 0 H GLY A 1 -3.207 -16.560 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.302 -18.508 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.836 -16.841 -0.909 1.00 0.00 H new ATOM 89 N SER A 2 -6.150 -17.692 -1.286 1.00 0.00 N ATOM 90 CA SER A 2 -7.528 -18.017 -1.610 1.00 0.00 C ATOM 91 C SER A 2 -8.443 -17.643 -0.442 1.00 0.00 C ATOM 92 O SER A 2 -8.892 -18.513 0.303 1.00 0.00 O ATOM 93 CB SER A 2 -7.679 -19.501 -1.948 1.00 0.00 C ATOM 94 OG SER A 2 -9.001 -19.973 -1.705 1.00 0.00 O ATOM 0 H SER A 2 -6.033 -17.117 -0.451 1.00 0.00 H new ATOM 0 HA SER A 2 -7.817 -17.441 -2.489 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.424 -19.662 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.972 -20.081 -1.355 1.00 0.00 H new ATOM 0 HG SER A 2 -9.193 -19.927 -0.745 1.00 0.00 H new ATOM 100 N ALA A 3 -8.692 -16.347 -0.318 1.00 0.00 N ATOM 101 CA ALA A 3 -9.545 -15.848 0.746 1.00 0.00 C ATOM 102 C ALA A 3 -9.197 -16.565 2.052 1.00 0.00 C ATOM 103 O ALA A 3 -10.076 -17.107 2.720 1.00 0.00 O ATOM 104 CB ALA A 3 -11.012 -16.031 0.354 1.00 0.00 C ATOM 0 H ALA A 3 -8.318 -15.628 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.380 -14.782 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.652 -15.656 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.215 -15.478 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.216 -17.089 0.192 1.00 0.00 H new ATOM 110 N LYS A 4 -7.912 -16.546 2.376 1.00 0.00 N ATOM 111 CA LYS A 4 -7.437 -17.188 3.590 1.00 0.00 C ATOM 112 C LYS A 4 -6.993 -16.117 4.588 1.00 0.00 C ATOM 113 O LYS A 4 -5.903 -15.560 4.463 1.00 0.00 O ATOM 114 CB LYS A 4 -6.349 -18.213 3.264 1.00 0.00 C ATOM 115 CG LYS A 4 -6.928 -19.628 3.210 1.00 0.00 C ATOM 116 CD LYS A 4 -6.728 -20.354 4.542 1.00 0.00 C ATOM 117 CE LYS A 4 -7.904 -20.099 5.487 1.00 0.00 C ATOM 118 NZ LYS A 4 -9.114 -20.806 5.011 1.00 0.00 N ATOM 0 H LYS A 4 -7.186 -16.096 1.819 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.242 -17.751 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.888 -17.968 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.563 -18.166 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.991 -19.581 2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.448 -20.191 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.625 -21.425 4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.802 -20.017 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.650 -20.436 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.102 -19.029 5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.764 -20.958 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.587 -20.233 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.843 -21.725 4.606 1.00 0.00 H new ATOM 132 N LYS A 5 -7.860 -15.860 5.557 1.00 0.00 N ATOM 133 CA LYS A 5 -7.570 -14.865 6.576 1.00 0.00 C ATOM 134 C LYS A 5 -6.922 -13.644 5.921 1.00 0.00 C ATOM 135 O LYS A 5 -5.883 -13.170 6.375 1.00 0.00 O ATOM 136 CB LYS A 5 -6.732 -15.478 7.699 1.00 0.00 C ATOM 137 CG LYS A 5 -5.441 -16.089 7.150 1.00 0.00 C ATOM 138 CD LYS A 5 -4.574 -16.646 8.280 1.00 0.00 C ATOM 139 CE LYS A 5 -3.377 -15.733 8.554 1.00 0.00 C ATOM 140 NZ LYS A 5 -2.209 -16.528 8.996 1.00 0.00 N ATOM 0 H LYS A 5 -8.763 -16.323 5.658 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.491 -14.522 7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.491 -14.713 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.312 -16.245 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.682 -16.885 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.883 -15.333 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.172 -16.749 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.222 -17.643 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.124 -15.175 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.637 -15.002 9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.406 -15.893 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.449 -17.042 9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.951 -17.209 8.253 1.00 0.00 H new ATOM 154 N GLY A 6 -7.564 -13.169 4.863 1.00 0.00 N ATOM 155 CA GLY A 6 -7.063 -12.012 4.141 1.00 0.00 C ATOM 156 C GLY A 6 -7.774 -10.735 4.591 1.00 0.00 C ATOM 157 O GLY A 6 -7.131 -9.713 4.829 1.00 0.00 O ATOM 0 H GLY A 6 -8.427 -13.565 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.990 -11.913 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -7.209 -12.156 3.070 1.00 0.00 H new ATOM 161 N ALA A 7 -9.091 -10.834 4.695 1.00 0.00 N ATOM 162 CA ALA A 7 -9.896 -9.699 5.113 1.00 0.00 C ATOM 163 C ALA A 7 -9.534 -9.324 6.552 1.00 0.00 C ATOM 164 O ALA A 7 -9.121 -8.197 6.818 1.00 0.00 O ATOM 165 CB ALA A 7 -11.380 -10.039 4.955 1.00 0.00 C ATOM 0 H ALA A 7 -9.621 -11.683 4.497 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.691 -8.832 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.984 -9.187 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.591 -10.269 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.623 -10.903 5.573 1.00 0.00 H new ATOM 171 N THR A 8 -9.702 -10.292 7.442 1.00 0.00 N ATOM 172 CA THR A 8 -9.398 -10.078 8.846 1.00 0.00 C ATOM 173 C THR A 8 -8.078 -9.319 8.996 1.00 0.00 C ATOM 174 O THR A 8 -7.869 -8.620 9.986 1.00 0.00 O ATOM 175 CB THR A 8 -9.399 -11.440 9.543 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.499 -11.367 10.446 1.00 0.00 O ATOM 177 CG2 THR A 8 -8.183 -11.633 10.451 1.00 0.00 C ATOM 0 H THR A 8 -10.045 -11.226 7.217 1.00 0.00 H new ATOM 0 HA THR A 8 -10.152 -9.452 9.323 1.00 0.00 H new ATOM 0 HB THR A 8 -9.422 -12.231 8.794 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.574 -12.211 10.939 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.232 -12.615 10.921 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.271 -11.560 9.858 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.178 -10.862 11.221 1.00 0.00 H new ATOM 185 N LEU A 9 -7.221 -9.483 7.999 1.00 0.00 N ATOM 186 CA LEU A 9 -5.927 -8.823 8.008 1.00 0.00 C ATOM 187 C LEU A 9 -6.122 -7.324 7.771 1.00 0.00 C ATOM 188 O LEU A 9 -6.065 -6.531 8.709 1.00 0.00 O ATOM 189 CB LEU A 9 -4.980 -9.486 7.005 1.00 0.00 C ATOM 190 CG LEU A 9 -3.503 -9.105 7.125 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.605 -10.213 6.571 1.00 0.00 C ATOM 192 CD2 LEU A 9 -3.229 -7.757 6.455 1.00 0.00 C ATOM 0 H LEU A 9 -7.398 -10.064 7.179 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.450 -8.933 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.066 -10.567 7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.318 -9.239 5.998 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.263 -8.994 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.560 -9.917 6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.775 -11.133 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.839 -10.379 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.172 -7.509 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.490 -7.816 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.829 -6.984 6.934 1.00 0.00 H new ATOM 204 N PHE A 10 -6.349 -6.982 6.511 1.00 0.00 N ATOM 205 CA PHE A 10 -6.553 -5.592 6.139 1.00 0.00 C ATOM 206 C PHE A 10 -7.470 -4.885 7.139 1.00 0.00 C ATOM 207 O PHE A 10 -7.153 -3.796 7.615 1.00 0.00 O ATOM 208 CB PHE A 10 -7.223 -5.591 4.763 1.00 0.00 C ATOM 209 CG PHE A 10 -7.015 -4.300 3.970 1.00 0.00 C ATOM 210 CD1 PHE A 10 -7.187 -3.094 4.577 1.00 0.00 C ATOM 211 CD2 PHE A 10 -6.658 -4.356 2.659 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.994 -1.895 3.841 1.00 0.00 C ATOM 213 CE2 PHE A 10 -6.465 -3.157 1.923 1.00 0.00 C ATOM 214 CZ PHE A 10 -6.637 -1.952 2.530 1.00 0.00 C ATOM 0 H PHE A 10 -6.396 -7.643 5.735 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.598 -5.066 6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.837 -6.428 4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.292 -5.758 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.470 -3.049 5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.521 -5.313 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.131 -0.938 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.182 -3.202 0.882 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.490 -1.040 1.971 1.00 0.00 H new ATOM 224 N LYS A 11 -8.588 -5.534 7.430 1.00 0.00 N ATOM 225 CA LYS A 11 -9.553 -4.982 8.365 1.00 0.00 C ATOM 226 C LYS A 11 -8.821 -4.120 9.396 1.00 0.00 C ATOM 227 O LYS A 11 -8.901 -2.894 9.355 1.00 0.00 O ATOM 228 CB LYS A 11 -10.399 -6.096 8.984 1.00 0.00 C ATOM 229 CG LYS A 11 -11.690 -5.537 9.583 1.00 0.00 C ATOM 230 CD LYS A 11 -12.895 -6.391 9.184 1.00 0.00 C ATOM 231 CE LYS A 11 -13.252 -7.386 10.290 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.699 -6.671 11.506 1.00 0.00 N ATOM 0 H LYS A 11 -8.847 -6.438 7.034 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.257 -4.331 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.639 -6.840 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.825 -6.605 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.607 -5.505 10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.838 -4.512 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.750 -5.747 8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.674 -6.930 8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.040 -8.056 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.386 -8.006 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.369 -7.267 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.877 -6.460 12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.166 -5.782 11.234 1.00 0.00 H new ATOM 246 N THR A 12 -8.124 -4.797 10.298 1.00 0.00 N ATOM 247 CA THR A 12 -7.379 -4.109 11.338 1.00 0.00 C ATOM 248 C THR A 12 -5.875 -4.234 11.088 1.00 0.00 C ATOM 249 O THR A 12 -5.148 -4.783 11.915 1.00 0.00 O ATOM 250 CB THR A 12 -7.819 -4.676 12.689 1.00 0.00 C ATOM 251 OG1 THR A 12 -8.946 -3.882 13.049 1.00 0.00 O ATOM 252 CG2 THR A 12 -6.802 -4.404 13.798 1.00 0.00 C ATOM 0 H THR A 12 -8.060 -5.815 10.329 1.00 0.00 H new ATOM 0 HA THR A 12 -7.590 -3.040 11.334 1.00 0.00 H new ATOM 0 HB THR A 12 -7.976 -5.751 12.597 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.296 -4.183 13.913 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.164 -4.827 14.735 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.848 -4.862 13.537 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.669 -3.328 13.913 1.00 0.00 H new ATOM 260 N ARG A 13 -5.453 -3.716 9.944 1.00 0.00 N ATOM 261 CA ARG A 13 -4.048 -3.763 9.574 1.00 0.00 C ATOM 262 C ARG A 13 -3.670 -2.519 8.768 1.00 0.00 C ATOM 263 O ARG A 13 -2.804 -1.748 9.179 1.00 0.00 O ATOM 264 CB ARG A 13 -3.737 -5.012 8.747 1.00 0.00 C ATOM 265 CG ARG A 13 -3.658 -6.253 9.638 1.00 0.00 C ATOM 266 CD ARG A 13 -2.268 -6.392 10.263 1.00 0.00 C ATOM 267 NE ARG A 13 -1.698 -7.719 9.940 1.00 0.00 N ATOM 268 CZ ARG A 13 -1.043 -7.999 8.805 1.00 0.00 C ATOM 269 NH1 ARG A 13 -0.871 -7.047 7.878 1.00 0.00 N ATOM 270 NH2 ARG A 13 -0.559 -9.232 8.597 1.00 0.00 N ATOM 0 H ARG A 13 -6.059 -3.262 9.261 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.464 -3.796 10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.508 -5.152 7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.793 -4.878 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.410 -6.189 10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.887 -7.142 9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.612 -5.605 9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.332 -6.268 11.344 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.811 -8.467 10.624 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.239 -6.109 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.372 -7.260 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.689 -9.957 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.060 -9.445 7.733 1.00 0.00 H new ATOM 284 N CYS A 14 -4.337 -2.362 7.634 1.00 0.00 N ATOM 285 CA CYS A 14 -4.082 -1.225 6.767 1.00 0.00 C ATOM 286 C CYS A 14 -5.315 -0.319 6.787 1.00 0.00 C ATOM 287 O CYS A 14 -5.192 0.904 6.727 1.00 0.00 O ATOM 288 CB CYS A 14 -3.721 -1.666 5.347 1.00 0.00 C ATOM 289 SG CYS A 14 -3.227 -3.421 5.191 1.00 0.00 S ATOM 0 H CYS A 14 -5.054 -3.004 7.296 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.219 -0.670 7.135 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.577 -1.485 4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.906 -1.040 4.983 1.00 0.00 H new ATOM 294 N LEU A 15 -6.475 -0.953 6.872 1.00 0.00 N ATOM 295 CA LEU A 15 -7.729 -0.220 6.901 1.00 0.00 C ATOM 296 C LEU A 15 -7.589 0.983 7.836 1.00 0.00 C ATOM 297 O LEU A 15 -8.139 2.050 7.567 1.00 0.00 O ATOM 298 CB LEU A 15 -8.886 -1.151 7.265 1.00 0.00 C ATOM 299 CG LEU A 15 -10.160 -0.996 6.432 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.847 -1.057 4.936 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.212 -2.029 6.841 1.00 0.00 C ATOM 0 H LEU A 15 -6.573 -1.967 6.922 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.965 0.171 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.540 -2.181 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.139 -0.991 8.313 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.582 -0.011 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.769 -0.944 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.159 -0.253 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.389 -2.017 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.107 -1.897 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.815 -3.033 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.464 -1.895 7.893 1.00 0.00 H new ATOM 313 N GLN A 16 -6.852 0.770 8.916 1.00 0.00 N ATOM 314 CA GLN A 16 -6.633 1.824 9.893 1.00 0.00 C ATOM 315 C GLN A 16 -6.204 3.115 9.194 1.00 0.00 C ATOM 316 O GLN A 16 -6.537 4.210 9.645 1.00 0.00 O ATOM 317 CB GLN A 16 -5.601 1.397 10.938 1.00 0.00 C ATOM 318 CG GLN A 16 -4.262 1.058 10.280 1.00 0.00 C ATOM 319 CD GLN A 16 -3.161 0.896 11.330 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.666 -0.190 11.585 1.00 0.00 O ATOM 321 NE2 GLN A 16 -2.806 2.033 11.922 1.00 0.00 N ATOM 0 H GLN A 16 -6.399 -0.117 9.136 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.572 2.011 10.413 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.461 2.198 11.664 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.971 0.530 11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.358 0.138 9.704 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.988 1.846 9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.261 2.908 11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.079 2.030 12.637 1.00 0.00 H new ATOM 330 N CYS A 17 -5.470 2.944 8.104 1.00 0.00 N ATOM 331 CA CYS A 17 -4.991 4.083 7.338 1.00 0.00 C ATOM 332 C CYS A 17 -5.837 4.197 6.068 1.00 0.00 C ATOM 333 O CYS A 17 -6.473 5.185 5.689 1.00 0.00 O ATOM 334 CB CYS A 17 -3.499 3.964 7.021 1.00 0.00 C ATOM 335 SG CYS A 17 -2.395 4.071 8.476 1.00 0.00 S ATOM 0 H CYS A 17 -5.195 2.034 7.733 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.098 4.993 7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.323 3.013 6.518 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.227 4.751 6.318 1.00 0.00 H new ATOM 340 N HIS A 18 -5.873 3.060 5.286 1.00 0.00 N ATOM 341 CA HIS A 18 -6.312 3.055 3.877 1.00 0.00 C ATOM 342 C HIS A 18 -7.696 2.472 3.633 1.00 0.00 C ATOM 343 O HIS A 18 -8.307 1.772 4.439 1.00 0.00 O ATOM 344 CB HIS A 18 -5.394 2.158 3.034 1.00 0.00 C ATOM 345 CG HIS A 18 -3.929 2.463 2.869 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.457 3.315 1.936 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.830 1.939 3.520 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.211 3.367 2.024 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.730 2.503 2.968 1.00 0.00 N ATOM 0 H HIS A 18 -5.597 2.140 5.630 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.296 4.111 3.608 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.463 1.153 3.451 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.823 2.117 2.033 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.025 3.834 1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.845 1.214 4.321 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.589 4.017 1.426 1.00 0.00 H new ATOM 357 N THR A 19 -8.162 2.829 2.445 1.00 0.00 N ATOM 358 CA THR A 19 -9.475 2.401 1.996 1.00 0.00 C ATOM 359 C THR A 19 -9.346 1.413 0.835 1.00 0.00 C ATOM 360 O THR A 19 -8.858 1.769 -0.236 1.00 0.00 O ATOM 361 CB THR A 19 -10.286 3.650 1.644 1.00 0.00 C ATOM 362 OG1 THR A 19 -11.137 3.224 0.584 1.00 0.00 O ATOM 363 CG2 THR A 19 -9.426 4.747 1.014 1.00 0.00 C ATOM 0 H THR A 19 -7.653 3.410 1.780 1.00 0.00 H new ATOM 0 HA THR A 19 -10.005 1.863 2.782 1.00 0.00 H new ATOM 0 HB THR A 19 -10.766 4.036 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.030 3.031 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.050 5.611 0.783 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.643 5.041 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.972 4.372 0.097 1.00 0.00 H new ATOM 371 N VAL A 20 -9.793 0.191 1.087 1.00 0.00 N ATOM 372 CA VAL A 20 -9.734 -0.850 0.075 1.00 0.00 C ATOM 373 C VAL A 20 -10.981 -0.770 -0.808 1.00 0.00 C ATOM 374 O VAL A 20 -10.931 -1.103 -1.990 1.00 0.00 O ATOM 375 CB VAL A 20 -9.560 -2.217 0.741 1.00 0.00 C ATOM 376 CG1 VAL A 20 -10.583 -2.414 1.862 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.651 -3.344 -0.289 1.00 0.00 C ATOM 0 H VAL A 20 -10.197 -0.101 1.977 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.869 -0.705 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.565 -2.250 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.438 -3.393 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.450 -1.638 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.590 -2.351 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.524 -4.304 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.626 -3.314 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.868 -3.218 -1.037 1.00 0.00 H new ATOM 387 N GLU A 21 -12.070 -0.325 -0.199 1.00 0.00 N ATOM 388 CA GLU A 21 -13.328 -0.196 -0.914 1.00 0.00 C ATOM 389 C GLU A 21 -13.171 0.763 -2.096 1.00 0.00 C ATOM 390 O GLU A 21 -12.094 0.860 -2.682 1.00 0.00 O ATOM 391 CB GLU A 21 -14.447 0.266 0.022 1.00 0.00 C ATOM 392 CG GLU A 21 -15.798 -0.304 -0.416 1.00 0.00 C ATOM 393 CD GLU A 21 -16.454 -1.094 0.718 1.00 0.00 C ATOM 394 OE1 GLU A 21 -16.622 -0.496 1.803 1.00 0.00 O ATOM 395 OE2 GLU A 21 -16.771 -2.278 0.475 1.00 0.00 O ATOM 0 H GLU A 21 -12.107 -0.049 0.782 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.605 -1.177 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.228 -0.051 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.493 1.355 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.456 0.508 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.660 -0.951 -1.282 1.00 0.00 H new ATOM 402 N LYS A 22 -14.261 1.448 -2.410 1.00 0.00 N ATOM 403 CA LYS A 22 -14.257 2.397 -3.511 1.00 0.00 C ATOM 404 C LYS A 22 -14.682 3.773 -2.995 1.00 0.00 C ATOM 405 O LYS A 22 -13.900 4.721 -3.029 1.00 0.00 O ATOM 406 CB LYS A 22 -15.118 1.880 -4.666 1.00 0.00 C ATOM 407 CG LYS A 22 -15.087 2.850 -5.849 1.00 0.00 C ATOM 408 CD LYS A 22 -15.901 2.306 -7.025 1.00 0.00 C ATOM 409 CE LYS A 22 -17.089 3.218 -7.337 1.00 0.00 C ATOM 410 NZ LYS A 22 -18.312 2.416 -7.566 1.00 0.00 N ATOM 0 H LYS A 22 -15.153 1.365 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.251 2.506 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.757 0.902 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.145 1.747 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.486 3.817 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.056 3.016 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.263 2.220 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.259 1.303 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.250 3.910 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.871 3.820 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.109 3.050 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.160 1.773 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.528 1.861 -6.714 1.00 0.00 H new ATOM 424 N GLY A 23 -15.921 3.837 -2.528 1.00 0.00 N ATOM 425 CA GLY A 23 -16.459 5.081 -2.005 1.00 0.00 C ATOM 426 C GLY A 23 -15.896 5.381 -0.614 1.00 0.00 C ATOM 427 O GLY A 23 -16.651 5.550 0.342 1.00 0.00 O ATOM 0 H GLY A 23 -16.567 3.048 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.217 5.899 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.546 5.019 -1.955 1.00 0.00 H new ATOM 431 N GLY A 24 -14.574 5.437 -0.546 1.00 0.00 N ATOM 432 CA GLY A 24 -13.901 5.714 0.712 1.00 0.00 C ATOM 433 C GLY A 24 -12.917 6.875 0.564 1.00 0.00 C ATOM 434 O GLY A 24 -12.076 6.870 -0.334 1.00 0.00 O ATOM 0 H GLY A 24 -13.951 5.295 -1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.639 5.953 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.370 4.823 1.048 1.00 0.00 H new ATOM 438 N PRO A 25 -13.057 7.869 1.482 1.00 0.00 N ATOM 439 CA PRO A 25 -12.190 9.034 1.461 1.00 0.00 C ATOM 440 C PRO A 25 -10.798 8.692 1.995 1.00 0.00 C ATOM 441 O PRO A 25 -10.626 7.696 2.696 1.00 0.00 O ATOM 442 CB PRO A 25 -12.910 10.075 2.305 1.00 0.00 C ATOM 443 CG PRO A 25 -13.918 9.306 3.143 1.00 0.00 C ATOM 444 CD PRO A 25 -14.041 7.909 2.559 1.00 0.00 C ATOM 0 HA PRO A 25 -12.014 9.409 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.208 10.618 2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.407 10.813 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.593 9.258 4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.885 9.810 3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.837 7.146 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.047 7.724 2.183 1.00 0.00 H new ATOM 452 N HIS A 26 -9.839 9.535 1.641 1.00 0.00 N ATOM 453 CA HIS A 26 -8.467 9.334 2.076 1.00 0.00 C ATOM 454 C HIS A 26 -8.343 9.681 3.561 1.00 0.00 C ATOM 455 O HIS A 26 -8.960 10.634 4.033 1.00 0.00 O ATOM 456 CB HIS A 26 -7.498 10.128 1.198 1.00 0.00 C ATOM 457 CG HIS A 26 -7.878 10.162 -0.263 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.642 9.104 -1.123 1.00 0.00 N ATOM 459 CD2 HIS A 26 -8.480 11.135 -1.005 1.00 0.00 C ATOM 460 CE1 HIS A 26 -8.085 9.436 -2.327 1.00 0.00 C ATOM 461 NE2 HIS A 26 -8.604 10.695 -2.251 1.00 0.00 N ATOM 0 H HIS A 26 -9.985 10.359 1.058 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.195 8.285 1.961 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.440 11.150 1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.501 9.697 1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.801 12.100 -0.641 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.043 8.819 -3.212 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.019 11.213 -3.025 1.00 0.00 H new ATOM 469 N LYS A 27 -7.541 8.887 4.255 1.00 0.00 N ATOM 470 CA LYS A 27 -7.328 9.098 5.677 1.00 0.00 C ATOM 471 C LYS A 27 -5.834 9.298 5.940 1.00 0.00 C ATOM 472 O LYS A 27 -5.314 10.401 5.779 1.00 0.00 O ATOM 473 CB LYS A 27 -7.948 7.958 6.487 1.00 0.00 C ATOM 474 CG LYS A 27 -9.348 8.332 6.978 1.00 0.00 C ATOM 475 CD LYS A 27 -10.204 7.083 7.199 1.00 0.00 C ATOM 476 CE LYS A 27 -9.931 6.467 8.573 1.00 0.00 C ATOM 477 NZ LYS A 27 -10.444 7.348 9.646 1.00 0.00 N ATOM 0 H LYS A 27 -7.031 8.097 3.860 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.835 10.005 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.002 7.059 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.310 7.724 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.273 8.895 7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.831 8.984 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.260 7.342 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.993 6.351 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.405 5.488 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.860 6.312 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.630 6.784 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.737 8.080 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.326 7.801 9.332 1.00 0.00 H new ATOM 491 N VAL A 28 -5.186 8.214 6.341 1.00 0.00 N ATOM 492 CA VAL A 28 -3.762 8.256 6.628 1.00 0.00 C ATOM 493 C VAL A 28 -2.980 7.934 5.353 1.00 0.00 C ATOM 494 O VAL A 28 -1.818 8.315 5.221 1.00 0.00 O ATOM 495 CB VAL A 28 -3.434 7.312 7.786 1.00 0.00 C ATOM 496 CG1 VAL A 28 -1.935 7.324 8.095 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.253 7.664 9.030 1.00 0.00 C ATOM 0 H VAL A 28 -5.621 7.301 6.474 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.465 9.255 6.947 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.706 6.301 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.729 6.645 8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.379 7.003 7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.628 8.333 8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.000 6.978 9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.027 8.685 9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.316 7.580 8.802 1.00 0.00 H new ATOM 507 N GLY A 29 -3.648 7.234 4.448 1.00 0.00 N ATOM 508 CA GLY A 29 -3.029 6.855 3.189 1.00 0.00 C ATOM 509 C GLY A 29 -4.033 6.943 2.037 1.00 0.00 C ATOM 510 O GLY A 29 -5.240 6.996 2.264 1.00 0.00 O ATOM 0 H GLY A 29 -4.612 6.919 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.179 7.507 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.641 5.839 3.261 1.00 0.00 H new ATOM 514 N PRO A 30 -3.481 6.955 0.794 1.00 0.00 N ATOM 515 CA PRO A 30 -4.314 7.036 -0.394 1.00 0.00 C ATOM 516 C PRO A 30 -5.000 5.697 -0.674 1.00 0.00 C ATOM 517 O PRO A 30 -4.555 4.655 -0.195 1.00 0.00 O ATOM 518 CB PRO A 30 -3.372 7.464 -1.507 1.00 0.00 C ATOM 519 CG PRO A 30 -1.970 7.159 -1.007 1.00 0.00 C ATOM 520 CD PRO A 30 -2.055 6.894 0.487 1.00 0.00 C ATOM 0 HA PRO A 30 -5.132 7.749 -0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.584 6.922 -2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.485 8.525 -1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.560 6.292 -1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.302 7.997 -1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.637 5.920 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.496 7.639 1.054 1.00 0.00 H new ATOM 528 N ASN A 31 -6.073 5.768 -1.448 1.00 0.00 N ATOM 529 CA ASN A 31 -6.825 4.575 -1.797 1.00 0.00 C ATOM 530 C ASN A 31 -5.944 3.652 -2.642 1.00 0.00 C ATOM 531 O ASN A 31 -5.220 4.114 -3.523 1.00 0.00 O ATOM 532 CB ASN A 31 -8.066 4.927 -2.619 1.00 0.00 C ATOM 533 CG ASN A 31 -9.284 4.133 -2.142 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.360 2.923 -2.277 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.229 4.880 -1.578 1.00 0.00 N ATOM 0 H ASN A 31 -6.440 6.634 -1.843 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.132 4.087 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.269 5.995 -2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.880 4.717 -3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.082 4.444 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.101 5.889 -1.497 1.00 0.00 H new ATOM 542 N LEU A 32 -6.035 2.364 -2.343 1.00 0.00 N ATOM 543 CA LEU A 32 -5.256 1.372 -3.064 1.00 0.00 C ATOM 544 C LEU A 32 -6.083 0.830 -4.231 1.00 0.00 C ATOM 545 O LEU A 32 -5.592 0.736 -5.355 1.00 0.00 O ATOM 546 CB LEU A 32 -4.754 0.287 -2.109 1.00 0.00 C ATOM 547 CG LEU A 32 -3.787 0.750 -1.017 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.085 -0.443 -0.365 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.789 1.772 -1.566 1.00 0.00 C ATOM 0 H LEU A 32 -6.636 1.985 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.362 1.827 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.617 -0.175 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.263 -0.488 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.364 1.249 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.403 -0.087 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.828 -1.102 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.522 -0.991 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.113 2.085 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.213 1.321 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.329 2.640 -1.946 1.00 0.00 H new ATOM 561 N HIS A 33 -7.325 0.485 -3.924 1.00 0.00 N ATOM 562 CA HIS A 33 -8.226 -0.046 -4.934 1.00 0.00 C ATOM 563 C HIS A 33 -7.997 0.683 -6.260 1.00 0.00 C ATOM 564 O HIS A 33 -8.429 1.822 -6.429 1.00 0.00 O ATOM 565 CB HIS A 33 -9.678 0.029 -4.459 1.00 0.00 C ATOM 566 CG HIS A 33 -10.444 1.209 -5.009 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.758 2.320 -4.246 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.954 1.439 -6.252 1.00 0.00 C ATOM 569 CE1 HIS A 33 -11.428 3.174 -5.006 1.00 0.00 C ATOM 570 NE2 HIS A 33 -11.549 2.626 -6.249 1.00 0.00 N ATOM 0 H HIS A 33 -7.729 0.563 -2.991 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.013 -1.102 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.191 -0.889 -4.745 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.691 0.076 -3.370 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.515 2.458 -3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.886 0.769 -7.096 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.811 4.135 -4.696 1.00 0.00 H new ATOM 578 N GLY A 34 -7.318 -0.005 -7.166 1.00 0.00 N ATOM 579 CA GLY A 34 -7.027 0.562 -8.472 1.00 0.00 C ATOM 580 C GLY A 34 -5.536 0.451 -8.798 1.00 0.00 C ATOM 581 O GLY A 34 -5.152 0.431 -9.966 1.00 0.00 O ATOM 0 H GLY A 34 -6.961 -0.950 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.609 0.045 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.331 1.609 -8.494 1.00 0.00 H new ATOM 585 N ILE A 35 -4.736 0.380 -7.744 1.00 0.00 N ATOM 586 CA ILE A 35 -3.296 0.271 -7.903 1.00 0.00 C ATOM 587 C ILE A 35 -2.969 -1.005 -8.682 1.00 0.00 C ATOM 588 O ILE A 35 -3.819 -1.537 -9.394 1.00 0.00 O ATOM 589 CB ILE A 35 -2.598 0.358 -6.544 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.061 -0.768 -5.617 1.00 0.00 C ATOM 591 CG2 ILE A 35 -2.796 1.738 -5.914 1.00 0.00 C ATOM 592 CD1 ILE A 35 -2.393 -2.093 -5.988 1.00 0.00 C ATOM 0 H ILE A 35 -5.058 0.396 -6.776 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.913 1.108 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.527 0.226 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.824 -0.514 -4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.144 -0.873 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.290 1.773 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.378 2.501 -6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.861 1.924 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.739 -2.876 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.652 -2.356 -7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.311 -1.992 -5.901 1.00 0.00 H new ATOM 604 N PHE A 36 -1.734 -1.458 -8.521 1.00 0.00 N ATOM 605 CA PHE A 36 -1.284 -2.661 -9.200 1.00 0.00 C ATOM 606 C PHE A 36 -1.432 -2.523 -10.716 1.00 0.00 C ATOM 607 O PHE A 36 -2.495 -2.802 -11.268 1.00 0.00 O ATOM 608 CB PHE A 36 -2.173 -3.808 -8.715 1.00 0.00 C ATOM 609 CG PHE A 36 -1.693 -4.462 -7.418 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.367 -4.689 -7.222 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.593 -4.818 -6.462 1.00 0.00 C ATOM 612 CE1 PHE A 36 0.079 -5.296 -6.018 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.147 -5.425 -5.259 1.00 0.00 C ATOM 614 CZ PHE A 36 -0.821 -5.651 -5.062 1.00 0.00 C ATOM 0 H PHE A 36 -1.031 -1.013 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.232 -2.841 -8.980 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.185 -3.432 -8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.226 -4.568 -9.495 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.347 -4.408 -7.982 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.646 -4.639 -6.618 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.132 -5.476 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.861 -5.707 -4.500 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.482 -6.113 -4.146 1.00 0.00 H new ATOM 624 N GLY A 37 -0.350 -2.091 -11.348 1.00 0.00 N ATOM 625 CA GLY A 37 -0.346 -1.913 -12.790 1.00 0.00 C ATOM 626 C GLY A 37 -0.011 -0.467 -13.162 1.00 0.00 C ATOM 627 O GLY A 37 0.296 -0.175 -14.317 1.00 0.00 O ATOM 0 H GLY A 37 0.530 -1.859 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.382 -2.587 -13.241 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.322 -2.180 -13.196 1.00 0.00 H new ATOM 631 N ARG A 38 -0.080 0.399 -12.162 1.00 0.00 N ATOM 632 CA ARG A 38 0.213 1.807 -12.369 1.00 0.00 C ATOM 633 C ARG A 38 1.502 2.195 -11.643 1.00 0.00 C ATOM 634 O ARG A 38 1.987 1.451 -10.791 1.00 0.00 O ATOM 635 CB ARG A 38 -0.933 2.688 -11.865 1.00 0.00 C ATOM 636 CG ARG A 38 -2.036 2.808 -12.918 1.00 0.00 C ATOM 637 CD ARG A 38 -2.849 1.515 -13.010 1.00 0.00 C ATOM 638 NE ARG A 38 -3.721 1.550 -14.206 1.00 0.00 N ATOM 639 CZ ARG A 38 -3.303 1.274 -15.449 1.00 0.00 C ATOM 640 NH1 ARG A 38 -2.024 0.942 -15.667 1.00 0.00 N ATOM 641 NH2 ARG A 38 -4.165 1.331 -16.473 1.00 0.00 N ATOM 0 H ARG A 38 -0.335 0.153 -11.206 1.00 0.00 H new ATOM 0 HA ARG A 38 0.335 1.965 -13.441 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.345 2.266 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.553 3.679 -11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.695 3.639 -12.667 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.594 3.034 -13.889 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.179 0.657 -13.063 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.454 1.391 -12.112 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.701 1.800 -14.076 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.368 0.899 -14.887 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.706 0.732 -16.613 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.139 1.584 -16.306 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.847 1.121 -17.419 1.00 0.00 H new ATOM 655 N HIS A 39 2.022 3.358 -12.006 1.00 0.00 N ATOM 656 CA HIS A 39 3.246 3.853 -11.399 1.00 0.00 C ATOM 657 C HIS A 39 2.906 4.672 -10.153 1.00 0.00 C ATOM 658 O HIS A 39 1.875 5.342 -10.108 1.00 0.00 O ATOM 659 CB HIS A 39 4.077 4.638 -12.416 1.00 0.00 C ATOM 660 CG HIS A 39 5.198 3.840 -13.039 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.118 3.302 -14.312 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.425 3.498 -12.552 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.251 2.665 -14.568 1.00 0.00 C ATOM 664 NE2 HIS A 39 7.060 2.787 -13.477 1.00 0.00 N ATOM 0 H HIS A 39 1.618 3.972 -12.713 1.00 0.00 H new ATOM 0 HA HIS A 39 3.864 3.013 -11.082 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.419 4.999 -13.206 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.498 5.516 -11.926 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.814 3.761 -11.579 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.492 2.141 -15.481 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.998 2.397 -13.386 1.00 0.00 H new ATOM 672 N SER A 40 3.792 4.592 -9.171 1.00 0.00 N ATOM 673 CA SER A 40 3.599 5.317 -7.927 1.00 0.00 C ATOM 674 C SER A 40 2.987 6.690 -8.212 1.00 0.00 C ATOM 675 O SER A 40 3.355 7.348 -9.184 1.00 0.00 O ATOM 676 CB SER A 40 4.919 5.471 -7.169 1.00 0.00 C ATOM 677 OG SER A 40 5.834 6.321 -7.857 1.00 0.00 O ATOM 0 H SER A 40 4.646 4.036 -9.212 1.00 0.00 H new ATOM 0 HA SER A 40 2.916 4.745 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.722 5.878 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.372 4.490 -7.027 1.00 0.00 H new ATOM 0 HG SER A 40 6.179 6.999 -7.239 1.00 0.00 H new ATOM 683 N GLY A 41 2.063 7.082 -7.347 1.00 0.00 N ATOM 684 CA GLY A 41 1.397 8.364 -7.493 1.00 0.00 C ATOM 685 C GLY A 41 0.289 8.290 -8.546 1.00 0.00 C ATOM 686 O GLY A 41 0.544 8.477 -9.734 1.00 0.00 O ATOM 0 H GLY A 41 1.760 6.533 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.974 8.669 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.124 9.125 -7.778 1.00 0.00 H new ATOM 690 N GLN A 42 -0.917 8.016 -8.070 1.00 0.00 N ATOM 691 CA GLN A 42 -2.065 7.915 -8.956 1.00 0.00 C ATOM 692 C GLN A 42 -3.189 8.835 -8.476 1.00 0.00 C ATOM 693 O GLN A 42 -4.275 8.848 -9.053 1.00 0.00 O ATOM 694 CB GLN A 42 -2.549 6.467 -9.062 1.00 0.00 C ATOM 695 CG GLN A 42 -1.423 5.546 -9.537 1.00 0.00 C ATOM 696 CD GLN A 42 -1.854 4.079 -9.479 1.00 0.00 C ATOM 697 OE1 GLN A 42 -2.913 3.697 -9.949 1.00 0.00 O ATOM 698 NE2 GLN A 42 -0.977 3.281 -8.877 1.00 0.00 N ATOM 0 H GLN A 42 -1.124 7.861 -7.083 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.760 8.236 -9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.915 6.130 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.388 6.410 -9.756 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.142 5.806 -10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.540 5.694 -8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.109 3.666 -8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.173 2.284 -8.787 1.00 0.00 H new ATOM 707 N ALA A 43 -2.890 9.582 -7.423 1.00 0.00 N ATOM 708 CA ALA A 43 -3.862 10.503 -6.859 1.00 0.00 C ATOM 709 C ALA A 43 -3.340 11.935 -6.995 1.00 0.00 C ATOM 710 O ALA A 43 -2.224 12.235 -6.573 1.00 0.00 O ATOM 711 CB ALA A 43 -4.143 10.121 -5.405 1.00 0.00 C ATOM 0 H ALA A 43 -1.989 9.568 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.806 10.443 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.872 10.812 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.539 9.106 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.218 10.172 -4.830 1.00 0.00 H new ATOM 717 N GLU A 44 -4.172 12.781 -7.584 1.00 0.00 N ATOM 718 CA GLU A 44 -3.808 14.174 -7.781 1.00 0.00 C ATOM 719 C GLU A 44 -4.450 15.047 -6.701 1.00 0.00 C ATOM 720 O GLU A 44 -3.776 15.867 -6.079 1.00 0.00 O ATOM 721 CB GLU A 44 -4.203 14.652 -9.180 1.00 0.00 C ATOM 722 CG GLU A 44 -3.135 14.279 -10.209 1.00 0.00 C ATOM 723 CD GLU A 44 -2.076 15.378 -10.323 1.00 0.00 C ATOM 724 OE1 GLU A 44 -1.571 15.792 -9.257 1.00 0.00 O ATOM 725 OE2 GLU A 44 -1.795 15.778 -11.473 1.00 0.00 O ATOM 0 H GLU A 44 -5.097 12.529 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.725 14.262 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.157 14.208 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.344 15.733 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.661 13.340 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.602 14.117 -11.180 1.00 0.00 H new ATOM 732 N GLY A 45 -5.745 14.842 -6.511 1.00 0.00 N ATOM 733 CA GLY A 45 -6.485 15.601 -5.518 1.00 0.00 C ATOM 734 C GLY A 45 -5.833 15.482 -4.139 1.00 0.00 C ATOM 735 O GLY A 45 -5.751 16.462 -3.400 1.00 0.00 O ATOM 0 H GLY A 45 -6.301 14.161 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.528 16.649 -5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.512 15.240 -5.471 1.00 0.00 H new ATOM 739 N TYR A 46 -5.385 14.273 -3.834 1.00 0.00 N ATOM 740 CA TYR A 46 -4.742 14.013 -2.557 1.00 0.00 C ATOM 741 C TYR A 46 -3.222 14.137 -2.673 1.00 0.00 C ATOM 742 O TYR A 46 -2.597 13.435 -3.466 1.00 0.00 O ATOM 743 CB TYR A 46 -5.097 12.570 -2.192 1.00 0.00 C ATOM 744 CG TYR A 46 -4.563 12.123 -0.830 1.00 0.00 C ATOM 745 CD1 TYR A 46 -3.210 11.917 -0.653 1.00 0.00 C ATOM 746 CD2 TYR A 46 -5.434 11.927 0.222 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.707 11.497 0.629 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.932 11.506 1.505 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.593 11.312 1.645 1.00 0.00 C ATOM 750 OH TYR A 46 -3.118 10.915 2.856 1.00 0.00 O ATOM 0 H TYR A 46 -5.455 13.462 -4.449 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.077 14.729 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.181 12.461 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.704 11.905 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.528 12.071 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.493 12.089 0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.650 11.333 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.603 11.348 2.336 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.863 10.824 3.486 1.00 0.00 H new ATOM 760 N SER A 47 -2.671 15.036 -1.871 1.00 0.00 N ATOM 761 CA SER A 47 -1.235 15.262 -1.874 1.00 0.00 C ATOM 762 C SER A 47 -0.504 13.985 -1.455 1.00 0.00 C ATOM 763 O SER A 47 -0.945 13.282 -0.546 1.00 0.00 O ATOM 764 CB SER A 47 -0.858 16.418 -0.946 1.00 0.00 C ATOM 765 OG SER A 47 -1.194 16.145 0.412 1.00 0.00 O ATOM 0 H SER A 47 -3.193 15.617 -1.215 1.00 0.00 H new ATOM 0 HA SER A 47 -0.933 15.531 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.212 16.610 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.369 17.325 -1.270 1.00 0.00 H new ATOM 0 HG SER A 47 -0.936 16.906 0.972 1.00 0.00 H new ATOM 771 N TYR A 48 0.601 13.723 -2.137 1.00 0.00 N ATOM 772 CA TYR A 48 1.398 12.542 -1.848 1.00 0.00 C ATOM 773 C TYR A 48 2.690 12.918 -1.119 1.00 0.00 C ATOM 774 O TYR A 48 2.920 14.089 -0.821 1.00 0.00 O ATOM 775 CB TYR A 48 1.751 11.929 -3.204 1.00 0.00 C ATOM 776 CG TYR A 48 1.000 10.632 -3.515 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.380 10.627 -3.554 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.702 9.469 -3.755 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.087 9.407 -3.847 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.995 8.249 -4.048 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.364 8.278 -4.079 1.00 0.00 C ATOM 782 OH TYR A 48 -1.032 7.126 -4.355 1.00 0.00 O ATOM 0 H TYR A 48 0.964 14.308 -2.889 1.00 0.00 H new ATOM 0 HA TYR A 48 0.846 11.853 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.538 12.657 -3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.823 11.733 -3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.929 11.538 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.782 9.473 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.166 9.389 -3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.532 7.332 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.388 6.401 -4.500 1.00 0.00 H new ATOM 792 N THR A 49 3.498 11.903 -0.854 1.00 0.00 N ATOM 793 CA THR A 49 4.761 12.112 -0.166 1.00 0.00 C ATOM 794 C THR A 49 5.859 12.480 -1.166 1.00 0.00 C ATOM 795 O THR A 49 5.747 12.180 -2.354 1.00 0.00 O ATOM 796 CB THR A 49 5.074 10.851 0.642 1.00 0.00 C ATOM 797 OG1 THR A 49 5.103 9.812 -0.333 1.00 0.00 O ATOM 798 CG2 THR A 49 3.928 10.454 1.575 1.00 0.00 C ATOM 0 H THR A 49 3.303 10.933 -1.103 1.00 0.00 H new ATOM 0 HA THR A 49 4.700 12.952 0.526 1.00 0.00 H new ATOM 0 HB THR A 49 5.980 11.011 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.302 8.958 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.202 9.553 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.734 11.264 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.030 10.262 0.987 1.00 0.00 H new ATOM 806 N ASP A 50 6.894 13.126 -0.649 1.00 0.00 N ATOM 807 CA ASP A 50 8.010 13.538 -1.482 1.00 0.00 C ATOM 808 C ASP A 50 9.041 12.409 -1.543 1.00 0.00 C ATOM 809 O ASP A 50 10.168 12.615 -1.990 1.00 0.00 O ATOM 810 CB ASP A 50 8.700 14.776 -0.906 1.00 0.00 C ATOM 811 CG ASP A 50 8.597 16.035 -1.769 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.829 15.986 -2.754 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.288 17.018 -1.425 1.00 0.00 O ATOM 0 H ASP A 50 6.983 13.374 0.336 1.00 0.00 H new ATOM 0 HA ASP A 50 7.622 13.769 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.272 14.989 0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.754 14.546 -0.750 1.00 0.00 H new ATOM 818 N ALA A 51 8.617 11.239 -1.087 1.00 0.00 N ATOM 819 CA ALA A 51 9.488 10.077 -1.084 1.00 0.00 C ATOM 820 C ALA A 51 8.939 9.030 -2.055 1.00 0.00 C ATOM 821 O ALA A 51 9.687 8.461 -2.848 1.00 0.00 O ATOM 822 CB ALA A 51 9.616 9.538 0.343 1.00 0.00 C ATOM 0 H ALA A 51 7.681 11.072 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 51 10.488 10.347 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.270 8.666 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.038 10.310 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.631 9.254 0.714 1.00 0.00 H new ATOM 828 N ASN A 52 7.636 8.808 -1.961 1.00 0.00 N ATOM 829 CA ASN A 52 6.978 7.840 -2.822 1.00 0.00 C ATOM 830 C ASN A 52 7.151 8.261 -4.282 1.00 0.00 C ATOM 831 O ASN A 52 7.897 7.631 -5.030 1.00 0.00 O ATOM 832 CB ASN A 52 5.478 7.769 -2.525 1.00 0.00 C ATOM 833 CG ASN A 52 4.735 7.018 -3.632 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.212 7.599 -4.568 1.00 0.00 O ATOM 835 ND2 ASN A 52 4.719 5.698 -3.473 1.00 0.00 N ATOM 0 H ASN A 52 7.018 9.282 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 52 7.429 6.865 -2.639 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.316 7.270 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.074 8.777 -2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.249 5.107 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.177 5.276 -2.665 1.00 0.00 H new ATOM 842 N ILE A 53 6.450 9.325 -4.645 1.00 0.00 N ATOM 843 CA ILE A 53 6.517 9.838 -6.003 1.00 0.00 C ATOM 844 C ILE A 53 7.961 9.759 -6.503 1.00 0.00 C ATOM 845 O ILE A 53 8.200 9.534 -7.688 1.00 0.00 O ATOM 846 CB ILE A 53 5.918 11.244 -6.075 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.390 11.193 -6.013 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.416 11.990 -7.315 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.799 12.598 -5.881 1.00 0.00 C ATOM 0 H ILE A 53 5.833 9.846 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 53 5.913 9.224 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 53 6.258 11.804 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.002 10.714 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.077 10.582 -5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.975 12.986 -7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.502 12.075 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.126 11.441 -8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.712 12.533 -5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.170 13.065 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.094 13.199 -6.741 1.00 0.00 H new ATOM 861 N LYS A 54 8.886 9.947 -5.573 1.00 0.00 N ATOM 862 CA LYS A 54 10.300 9.900 -5.905 1.00 0.00 C ATOM 863 C LYS A 54 10.794 8.455 -5.810 1.00 0.00 C ATOM 864 O LYS A 54 11.854 8.193 -5.244 1.00 0.00 O ATOM 865 CB LYS A 54 11.088 10.878 -5.031 1.00 0.00 C ATOM 866 CG LYS A 54 10.533 12.298 -5.158 1.00 0.00 C ATOM 867 CD LYS A 54 11.172 13.032 -6.339 1.00 0.00 C ATOM 868 CE LYS A 54 10.803 14.517 -6.325 1.00 0.00 C ATOM 869 NZ LYS A 54 11.975 15.339 -5.952 1.00 0.00 N ATOM 0 H LYS A 54 8.684 10.132 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 54 10.461 10.225 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.043 10.558 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.138 10.867 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.452 12.259 -5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.721 12.850 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.256 12.922 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.842 12.580 -7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.439 14.817 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.991 14.689 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.707 16.344 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.304 15.064 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.739 15.188 -6.641 1.00 0.00 H new ATOM 883 N LYS A 55 10.001 7.554 -6.372 1.00 0.00 N ATOM 884 CA LYS A 55 10.344 6.143 -6.358 1.00 0.00 C ATOM 885 C LYS A 55 9.948 5.512 -7.695 1.00 0.00 C ATOM 886 O LYS A 55 10.742 4.802 -8.310 1.00 0.00 O ATOM 887 CB LYS A 55 9.720 5.452 -5.144 1.00 0.00 C ATOM 888 CG LYS A 55 10.487 4.178 -4.783 1.00 0.00 C ATOM 889 CD LYS A 55 11.828 4.513 -4.126 1.00 0.00 C ATOM 890 CE LYS A 55 12.995 4.164 -5.051 1.00 0.00 C ATOM 891 NZ LYS A 55 14.273 4.184 -4.304 1.00 0.00 N ATOM 0 H LYS A 55 9.122 7.775 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 55 11.421 6.014 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.720 6.134 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.679 5.206 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.889 3.568 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.656 3.584 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.861 5.574 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.925 3.964 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.838 3.178 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.038 4.875 -5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.055 3.945 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.429 5.133 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.235 3.488 -3.532 1.00 0.00 H new ATOM 905 N ASN A 56 8.721 5.795 -8.105 1.00 0.00 N ATOM 906 CA ASN A 56 8.210 5.265 -9.358 1.00 0.00 C ATOM 907 C ASN A 56 8.264 3.737 -9.320 1.00 0.00 C ATOM 908 O ASN A 56 9.237 3.135 -9.770 1.00 0.00 O ATOM 909 CB ASN A 56 9.055 5.738 -10.542 1.00 0.00 C ATOM 910 CG ASN A 56 8.210 6.541 -11.533 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.974 6.134 -12.659 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.769 7.701 -11.053 1.00 0.00 N ATOM 0 H ASN A 56 8.065 6.384 -7.592 1.00 0.00 H new ATOM 0 HA ASN A 56 7.187 5.619 -9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.881 6.352 -10.182 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.494 4.877 -11.047 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.196 8.310 -11.637 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.004 7.981 -10.101 1.00 0.00 H new ATOM 919 N VAL A 57 7.205 3.152 -8.778 1.00 0.00 N ATOM 920 CA VAL A 57 7.120 1.705 -8.675 1.00 0.00 C ATOM 921 C VAL A 57 5.814 1.229 -9.315 1.00 0.00 C ATOM 922 O VAL A 57 4.746 1.347 -8.716 1.00 0.00 O ATOM 923 CB VAL A 57 7.261 1.276 -7.214 1.00 0.00 C ATOM 924 CG1 VAL A 57 8.641 0.669 -6.951 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.988 2.447 -6.269 1.00 0.00 C ATOM 0 H VAL A 57 6.399 3.654 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 57 7.939 1.234 -9.218 1.00 0.00 H new ATOM 0 HB VAL A 57 6.514 0.507 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.715 0.372 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.781 -0.205 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.412 1.407 -7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.095 2.114 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.700 3.248 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.974 2.814 -6.428 1.00 0.00 H new ATOM 935 N LEU A 58 5.942 0.702 -10.524 1.00 0.00 N ATOM 936 CA LEU A 58 4.786 0.207 -11.251 1.00 0.00 C ATOM 937 C LEU A 58 4.159 -0.953 -10.476 1.00 0.00 C ATOM 938 O LEU A 58 4.381 -2.117 -10.805 1.00 0.00 O ATOM 939 CB LEU A 58 5.170 -0.150 -12.688 1.00 0.00 C ATOM 940 CG LEU A 58 4.014 -0.529 -13.617 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.024 0.331 -14.883 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.037 -2.024 -13.939 1.00 0.00 C ATOM 0 H LEU A 58 6.829 0.607 -11.018 1.00 0.00 H new ATOM 0 HA LEU A 58 4.026 0.984 -11.332 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.697 0.699 -13.124 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.874 -0.981 -12.659 1.00 0.00 H new ATOM 0 HG LEU A 58 3.077 -0.326 -13.098 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.193 0.042 -15.526 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.923 1.381 -14.610 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.963 0.183 -15.416 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.205 -2.267 -14.601 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.977 -2.276 -14.430 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.945 -2.596 -13.016 1.00 0.00 H new ATOM 954 N TRP A 59 3.387 -0.595 -9.460 1.00 0.00 N ATOM 955 CA TRP A 59 2.726 -1.592 -8.635 1.00 0.00 C ATOM 956 C TRP A 59 2.369 -2.783 -9.527 1.00 0.00 C ATOM 957 O TRP A 59 1.986 -2.604 -10.682 1.00 0.00 O ATOM 958 CB TRP A 59 1.512 -0.995 -7.920 1.00 0.00 C ATOM 959 CG TRP A 59 1.805 0.314 -7.184 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.321 1.535 -7.448 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.674 0.483 -6.044 1.00 0.00 C ATOM 962 NE1 TRP A 59 1.813 2.476 -6.566 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.661 1.816 -5.685 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.445 -0.458 -5.340 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.400 2.327 -4.612 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.178 0.069 -4.270 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.176 1.408 -3.895 1.00 0.00 C ATOM 0 H TRP A 59 3.205 0.371 -9.190 1.00 0.00 H new ATOM 0 HA TRP A 59 3.389 -1.938 -7.842 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.722 -0.820 -8.651 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.129 -1.724 -7.206 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.632 1.755 -8.250 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.594 3.472 -6.562 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.470 -1.505 -5.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.373 3.375 -4.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.788 -0.612 -3.695 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.770 1.737 -3.055 1.00 0.00 H new ATOM 978 N ASP A 60 2.506 -3.971 -8.957 1.00 0.00 N ATOM 979 CA ASP A 60 2.203 -5.190 -9.686 1.00 0.00 C ATOM 980 C ASP A 60 1.694 -6.251 -8.708 1.00 0.00 C ATOM 981 O ASP A 60 0.505 -6.566 -8.690 1.00 0.00 O ATOM 982 CB ASP A 60 3.450 -5.744 -10.377 1.00 0.00 C ATOM 983 CG ASP A 60 3.268 -7.108 -11.045 1.00 0.00 C ATOM 984 OD1 ASP A 60 2.927 -8.059 -10.309 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.474 -7.169 -12.276 1.00 0.00 O ATOM 0 H ASP A 60 2.823 -4.115 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 60 1.449 -4.954 -10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.777 -5.028 -11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.251 -5.821 -9.641 1.00 0.00 H new ATOM 990 N GLU A 61 2.621 -6.773 -7.917 1.00 0.00 N ATOM 991 CA GLU A 61 2.281 -7.792 -6.938 1.00 0.00 C ATOM 992 C GLU A 61 3.458 -8.030 -5.990 1.00 0.00 C ATOM 993 O GLU A 61 3.370 -7.736 -4.799 1.00 0.00 O ATOM 994 CB GLU A 61 1.859 -9.093 -7.625 1.00 0.00 C ATOM 995 CG GLU A 61 1.394 -10.128 -6.599 1.00 0.00 C ATOM 996 CD GLU A 61 0.157 -10.878 -7.098 1.00 0.00 C ATOM 997 OE1 GLU A 61 0.351 -11.833 -7.882 1.00 0.00 O ATOM 998 OE2 GLU A 61 -0.953 -10.481 -6.685 1.00 0.00 O ATOM 0 H GLU A 61 3.606 -6.509 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 61 1.433 -7.437 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.055 -8.891 -8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.695 -9.494 -8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.198 -10.837 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.167 -9.633 -5.655 1.00 0.00 H new ATOM 1005 N ASN A 62 4.533 -8.561 -6.554 1.00 0.00 N ATOM 1006 CA ASN A 62 5.726 -8.842 -5.773 1.00 0.00 C ATOM 1007 C ASN A 62 6.372 -7.523 -5.345 1.00 0.00 C ATOM 1008 O ASN A 62 6.740 -7.357 -4.183 1.00 0.00 O ATOM 1009 CB ASN A 62 6.751 -9.626 -6.596 1.00 0.00 C ATOM 1010 CG ASN A 62 8.172 -9.363 -6.095 1.00 0.00 C ATOM 1011 OD1 ASN A 62 8.646 -9.969 -5.148 1.00 0.00 O ATOM 1012 ND2 ASN A 62 8.824 -8.428 -6.781 1.00 0.00 N ATOM 0 H ASN A 62 4.603 -8.804 -7.542 1.00 0.00 H new ATOM 0 HA ASN A 62 5.431 -9.434 -4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.532 -10.692 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.673 -9.343 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.780 -8.180 -6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.368 -7.959 -7.564 1.00 0.00 H new ATOM 1019 N ASN A 63 6.491 -6.620 -6.307 1.00 0.00 N ATOM 1020 CA ASN A 63 7.087 -5.321 -6.043 1.00 0.00 C ATOM 1021 C ASN A 63 6.462 -4.725 -4.780 1.00 0.00 C ATOM 1022 O ASN A 63 7.141 -4.552 -3.770 1.00 0.00 O ATOM 1023 CB ASN A 63 6.830 -4.353 -7.200 1.00 0.00 C ATOM 1024 CG ASN A 63 7.017 -2.902 -6.752 1.00 0.00 C ATOM 1025 OD1 ASN A 63 8.112 -2.452 -6.456 1.00 0.00 O ATOM 1026 ND2 ASN A 63 5.890 -2.196 -6.719 1.00 0.00 N ATOM 0 H ASN A 63 6.185 -6.762 -7.270 1.00 0.00 H new ATOM 0 HA ASN A 63 8.161 -5.461 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.511 -4.574 -8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.817 -4.493 -7.578 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.910 -1.217 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.006 -2.634 -6.979 1.00 0.00 H new ATOM 1033 N MET A 64 5.175 -4.426 -4.879 1.00 0.00 N ATOM 1034 CA MET A 64 4.451 -3.853 -3.758 1.00 0.00 C ATOM 1035 C MET A 64 4.726 -4.634 -2.471 1.00 0.00 C ATOM 1036 O MET A 64 5.096 -4.050 -1.453 1.00 0.00 O ATOM 1037 CB MET A 64 2.950 -3.872 -4.055 1.00 0.00 C ATOM 1038 CG MET A 64 2.273 -2.600 -3.539 1.00 0.00 C ATOM 1039 SD MET A 64 0.934 -3.025 -2.438 1.00 0.00 S ATOM 1040 CE MET A 64 -0.406 -3.144 -3.612 1.00 0.00 C ATOM 0 H MET A 64 4.615 -4.570 -5.719 1.00 0.00 H new ATOM 0 HA MET A 64 4.790 -2.826 -3.618 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.789 -3.964 -5.129 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.494 -4.746 -3.589 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.000 -1.977 -3.018 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.894 -2.014 -4.377 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.072 -3.957 -3.323 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.963 -2.207 -3.625 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.003 -3.341 -4.605 1.00 0.00 H new ATOM 1050 N SER A 65 4.535 -5.942 -2.558 1.00 0.00 N ATOM 1051 CA SER A 65 4.758 -6.809 -1.413 1.00 0.00 C ATOM 1052 C SER A 65 6.067 -6.430 -0.718 1.00 0.00 C ATOM 1053 O SER A 65 6.110 -6.308 0.506 1.00 0.00 O ATOM 1054 CB SER A 65 4.786 -8.280 -1.834 1.00 0.00 C ATOM 1055 OG SER A 65 4.571 -9.155 -0.730 1.00 0.00 O ATOM 0 H SER A 65 4.228 -6.423 -3.404 1.00 0.00 H new ATOM 0 HA SER A 65 3.932 -6.675 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.021 -8.455 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.747 -8.507 -2.295 1.00 0.00 H new ATOM 0 HG SER A 65 5.013 -10.013 -0.901 1.00 0.00 H new ATOM 1061 N GLU A 66 7.101 -6.256 -1.527 1.00 0.00 N ATOM 1062 CA GLU A 66 8.408 -5.894 -1.004 1.00 0.00 C ATOM 1063 C GLU A 66 8.313 -4.607 -0.183 1.00 0.00 C ATOM 1064 O GLU A 66 8.906 -4.505 0.890 1.00 0.00 O ATOM 1065 CB GLU A 66 9.429 -5.750 -2.134 1.00 0.00 C ATOM 1066 CG GLU A 66 10.821 -6.190 -1.674 1.00 0.00 C ATOM 1067 CD GLU A 66 11.262 -5.407 -0.436 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.678 -4.243 -0.619 1.00 0.00 O ATOM 1069 OE2 GLU A 66 11.172 -5.990 0.666 1.00 0.00 O ATOM 0 H GLU A 66 7.061 -6.359 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 66 8.751 -6.695 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.118 -6.350 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.463 -4.713 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.814 -7.257 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.539 -6.038 -2.480 1.00 0.00 H new ATOM 1076 N TYR A 67 7.562 -3.655 -0.719 1.00 0.00 N ATOM 1077 CA TYR A 67 7.382 -2.378 -0.049 1.00 0.00 C ATOM 1078 C TYR A 67 6.472 -2.523 1.173 1.00 0.00 C ATOM 1079 O TYR A 67 6.618 -1.791 2.150 1.00 0.00 O ATOM 1080 CB TYR A 67 6.705 -1.460 -1.068 1.00 0.00 C ATOM 1081 CG TYR A 67 6.043 -0.226 -0.450 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.799 0.894 -0.168 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.691 -0.233 -0.176 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.176 2.055 0.413 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.068 0.928 0.405 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.841 2.014 0.671 1.00 0.00 C ATOM 1087 OH TYR A 67 4.253 3.111 1.220 1.00 0.00 O ATOM 0 H TYR A 67 7.072 -3.743 -1.609 1.00 0.00 H new ATOM 0 HA TYR A 67 8.339 -1.987 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.446 -1.135 -1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.952 -2.030 -1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.857 0.900 -0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.100 -1.109 -0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.755 2.938 0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.011 0.936 0.624 1.00 0.00 H new ATOM 0 HH TYR A 67 4.084 2.950 2.172 1.00 0.00 H new ATOM 1097 N LEU A 68 5.553 -3.473 1.077 1.00 0.00 N ATOM 1098 CA LEU A 68 4.620 -3.724 2.161 1.00 0.00 C ATOM 1099 C LEU A 68 5.388 -4.234 3.382 1.00 0.00 C ATOM 1100 O LEU A 68 5.159 -3.776 4.500 1.00 0.00 O ATOM 1101 CB LEU A 68 3.502 -4.662 1.701 1.00 0.00 C ATOM 1102 CG LEU A 68 2.620 -4.147 0.563 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.716 -5.257 0.024 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.820 -2.919 1.002 1.00 0.00 C ATOM 0 H LEU A 68 5.435 -4.078 0.264 1.00 0.00 H new ATOM 0 HA LEU A 68 4.125 -2.799 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.951 -5.604 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.864 -4.882 2.557 1.00 0.00 H new ATOM 0 HG LEU A 68 3.268 -3.834 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.099 -4.864 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.330 -6.075 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.074 -5.624 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.201 -2.573 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.183 -3.183 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.506 -2.125 1.299 1.00 0.00 H new ATOM 1116 N THR A 69 6.284 -5.176 3.126 1.00 0.00 N ATOM 1117 CA THR A 69 7.087 -5.754 4.190 1.00 0.00 C ATOM 1118 C THR A 69 8.101 -4.732 4.707 1.00 0.00 C ATOM 1119 O THR A 69 8.281 -4.587 5.916 1.00 0.00 O ATOM 1120 CB THR A 69 7.733 -7.033 3.653 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.598 -7.453 4.705 1.00 0.00 O ATOM 1122 CG2 THR A 69 8.678 -6.764 2.480 1.00 0.00 C ATOM 0 H THR A 69 6.472 -5.553 2.197 1.00 0.00 H new ATOM 0 HA THR A 69 6.473 -6.020 5.050 1.00 0.00 H new ATOM 0 HB THR A 69 6.954 -7.729 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.074 -7.605 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.109 -7.704 2.137 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.123 -6.301 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.476 -6.095 2.802 1.00 0.00 H new ATOM 1130 N ASN A 70 8.738 -4.050 3.767 1.00 0.00 N ATOM 1131 CA ASN A 70 9.730 -3.046 4.113 1.00 0.00 C ATOM 1132 C ASN A 70 9.435 -1.757 3.342 1.00 0.00 C ATOM 1133 O ASN A 70 10.145 -1.419 2.396 1.00 0.00 O ATOM 1134 CB ASN A 70 11.138 -3.510 3.737 1.00 0.00 C ATOM 1135 CG ASN A 70 12.182 -2.918 4.686 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.961 -1.917 5.347 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.329 -3.591 4.716 1.00 0.00 N ATOM 0 H ASN A 70 8.587 -4.173 2.766 1.00 0.00 H new ATOM 0 HA ASN A 70 9.681 -2.880 5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.187 -4.598 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.362 -3.212 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.089 -3.276 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.448 -4.422 4.137 1.00 0.00 H new ATOM 1144 N PRO A 71 8.358 -1.055 3.787 1.00 0.00 N ATOM 1145 CA PRO A 71 7.961 0.189 3.149 1.00 0.00 C ATOM 1146 C PRO A 71 8.906 1.328 3.534 1.00 0.00 C ATOM 1147 O PRO A 71 9.084 2.210 2.711 1.00 0.00 O ATOM 1148 CB PRO A 71 6.530 0.425 3.605 1.00 0.00 C ATOM 1149 CG PRO A 71 6.338 -0.440 4.840 1.00 0.00 C ATOM 1150 CD PRO A 71 7.494 -1.425 4.904 1.00 0.00 C ATOM 0 HA PRO A 71 8.016 0.141 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.362 1.477 3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.821 0.152 2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.312 0.177 5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.387 -0.970 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.023 -1.354 5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.144 -2.453 4.810 1.00 0.00 H new HETATM 1158 N M3L A 72 9.439 1.231 4.742 1.00 0.00 N HETATM 1159 CA M3L A 72 10.341 2.266 5.287 1.00 0.00 C HETATM 1160 CB M3L A 72 10.362 2.144 6.824 1.00 0.00 C HETATM 1161 CG M3L A 72 10.006 3.552 7.304 1.00 0.00 C HETATM 1162 CD M3L A 72 9.739 3.603 8.820 1.00 0.00 C HETATM 1163 CE M3L A 72 9.461 5.082 9.151 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.035 5.331 9.414 1.00 0.00 N HETATM 1165 C M3L A 72 11.770 2.232 4.814 1.00 0.00 C HETATM 1166 O M3L A 72 12.468 3.246 4.814 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.423 5.005 8.103 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.576 4.412 10.476 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.795 6.730 9.805 1.00 0.00 C HETATM 0 HM33 M3L A 72 8.357 6.956 10.711 1.00 0.00 H new HETATM 0 HM32 M3L A 72 8.118 7.393 9.002 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.731 6.878 9.992 1.00 0.00 H new HETATM 0 HM23 M3L A 72 7.716 3.381 10.151 1.00 0.00 H new HETATM 0 HM22 M3L A 72 8.154 4.587 11.384 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.520 4.589 10.679 1.00 0.00 H new HETATM 0 HM13 M3L A 72 7.838 5.658 7.335 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.637 3.967 7.850 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.344 5.150 8.159 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.820 4.234 7.058 1.00 0.00 H new HETATM 0 HG2 M3L A 72 9.123 3.903 6.770 1.00 0.00 H new HETATM 0 HE3 M3L A 72 10.047 5.374 10.023 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.791 5.707 8.321 1.00 0.00 H new HETATM 0 HD3 M3L A 72 8.888 2.976 9.088 1.00 0.00 H new HETATM 0 HD2 M3L A 72 10.597 3.232 9.380 1.00 0.00 H new HETATM 0 HB3 M3L A 72 9.641 1.406 7.177 1.00 0.00 H new HETATM 0 HB2 M3L A 72 11.341 1.832 7.188 1.00 0.00 H new HETATM 0 HA M3L A 72 9.929 3.206 4.920 1.00 0.00 H new HETATM 0 H M3L A 72 8.958 0.590 5.373 1.00 0.00 H new ATOM 1189 N LYS A 73 12.147 1.062 4.319 1.00 0.00 N ATOM 1190 CA LYS A 73 13.460 0.890 3.721 1.00 0.00 C ATOM 1191 C LYS A 73 13.389 1.245 2.234 1.00 0.00 C ATOM 1192 O LYS A 73 13.988 2.226 1.797 1.00 0.00 O ATOM 1193 CB LYS A 73 13.992 -0.518 3.992 1.00 0.00 C ATOM 1194 CG LYS A 73 15.456 -0.643 3.565 1.00 0.00 C ATOM 1195 CD LYS A 73 16.220 -1.586 4.497 1.00 0.00 C ATOM 1196 CE LYS A 73 17.368 -0.854 5.196 1.00 0.00 C ATOM 1197 NZ LYS A 73 16.858 -0.061 6.337 1.00 0.00 N ATOM 0 H LYS A 73 11.566 0.224 4.320 1.00 0.00 H new ATOM 0 HA LYS A 73 14.179 1.571 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.898 -0.748 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.389 -1.249 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.510 -1.015 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.926 0.341 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.539 -1.997 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.614 -2.427 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.106 -1.575 5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.874 -0.199 4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.650 0.429 6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.170 0.639 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.395 -0.694 7.020 1.00 0.00 H new ATOM 1211 N TYR A 74 12.651 0.427 1.498 1.00 0.00 N ATOM 1212 CA TYR A 74 12.493 0.642 0.070 1.00 0.00 C ATOM 1213 C TYR A 74 12.328 2.130 -0.246 1.00 0.00 C ATOM 1214 O TYR A 74 13.066 2.681 -1.061 1.00 0.00 O ATOM 1215 CB TYR A 74 11.215 -0.097 -0.329 1.00 0.00 C ATOM 1216 CG TYR A 74 11.053 -0.291 -1.838 1.00 0.00 C ATOM 1217 CD1 TYR A 74 11.978 -1.038 -2.541 1.00 0.00 C ATOM 1218 CD2 TYR A 74 9.984 0.280 -2.497 1.00 0.00 C ATOM 1219 CE1 TYR A 74 11.826 -1.221 -3.961 1.00 0.00 C ATOM 1220 CE2 TYR A 74 9.832 0.098 -3.918 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.761 -0.644 -4.579 1.00 0.00 C ATOM 1222 OH TYR A 74 10.618 -0.816 -5.921 1.00 0.00 O ATOM 0 H TYR A 74 12.156 -0.386 1.864 1.00 0.00 H new ATOM 0 HA TYR A 74 13.369 0.284 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.206 -1.073 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.355 0.455 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.815 -1.485 -2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.261 0.864 -1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.542 -1.803 -4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.000 0.540 -4.446 1.00 0.00 H new ATOM 0 HH TYR A 74 9.858 -1.410 -6.096 1.00 0.00 H new ATOM 1232 N ILE A 75 11.355 2.738 0.417 1.00 0.00 N ATOM 1233 CA ILE A 75 11.083 4.151 0.217 1.00 0.00 C ATOM 1234 C ILE A 75 11.528 4.931 1.455 1.00 0.00 C ATOM 1235 O ILE A 75 10.891 4.853 2.505 1.00 0.00 O ATOM 1236 CB ILE A 75 9.614 4.368 -0.152 1.00 0.00 C ATOM 1237 CG1 ILE A 75 9.315 3.827 -1.551 1.00 0.00 C ATOM 1238 CG2 ILE A 75 9.225 5.840 -0.011 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.815 3.879 -1.850 1.00 0.00 C ATOM 0 H ILE A 75 10.745 2.278 1.093 1.00 0.00 H new ATOM 0 HA ILE A 75 11.658 4.534 -0.626 1.00 0.00 H new ATOM 0 HB ILE A 75 8.999 3.804 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.858 4.411 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.670 2.800 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.176 5.966 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.377 6.159 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.844 6.445 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.630 3.489 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.277 3.275 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.468 4.911 -1.793 1.00 0.00 H new ATOM 1251 N PRO A 76 12.647 5.686 1.288 1.00 0.00 N ATOM 1252 CA PRO A 76 13.184 6.480 2.380 1.00 0.00 C ATOM 1253 C PRO A 76 12.335 7.730 2.619 1.00 0.00 C ATOM 1254 O PRO A 76 12.237 8.594 1.749 1.00 0.00 O ATOM 1255 CB PRO A 76 14.611 6.801 1.968 1.00 0.00 C ATOM 1256 CG PRO A 76 14.672 6.575 0.466 1.00 0.00 C ATOM 1257 CD PRO A 76 13.427 5.803 0.060 1.00 0.00 C ATOM 0 HA PRO A 76 13.168 5.950 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.868 7.830 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.322 6.159 2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.720 7.528 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.570 6.018 0.200 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.870 6.330 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.682 4.823 -0.342 1.00 0.00 H new ATOM 1265 N GLY A 77 11.742 7.786 3.802 1.00 0.00 N ATOM 1266 CA GLY A 77 10.904 8.916 4.166 1.00 0.00 C ATOM 1267 C GLY A 77 9.452 8.679 3.748 1.00 0.00 C ATOM 1268 O GLY A 77 8.795 9.583 3.233 1.00 0.00 O ATOM 0 H GLY A 77 11.825 7.067 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.954 9.079 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.280 9.821 3.689 1.00 0.00 H new ATOM 1272 N THR A 78 8.993 7.459 3.984 1.00 0.00 N ATOM 1273 CA THR A 78 7.630 7.092 3.638 1.00 0.00 C ATOM 1274 C THR A 78 6.703 7.289 4.839 1.00 0.00 C ATOM 1275 O THR A 78 6.772 6.537 5.811 1.00 0.00 O ATOM 1276 CB THR A 78 7.647 5.655 3.113 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.407 5.523 2.424 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.561 4.620 4.236 1.00 0.00 C ATOM 0 H THR A 78 9.541 6.712 4.411 1.00 0.00 H new ATOM 0 HA THR A 78 7.234 7.736 2.853 1.00 0.00 H new ATOM 0 HB THR A 78 8.557 5.490 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.335 4.620 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.577 3.617 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.410 4.741 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.635 4.763 4.792 1.00 0.00 H new ATOM 1286 N LYS A 79 5.858 8.304 4.734 1.00 0.00 N ATOM 1287 CA LYS A 79 4.919 8.610 5.799 1.00 0.00 C ATOM 1288 C LYS A 79 4.276 7.312 6.294 1.00 0.00 C ATOM 1289 O LYS A 79 3.860 7.223 7.448 1.00 0.00 O ATOM 1290 CB LYS A 79 3.907 9.659 5.336 1.00 0.00 C ATOM 1291 CG LYS A 79 3.055 10.154 6.508 1.00 0.00 C ATOM 1292 CD LYS A 79 3.816 11.187 7.340 1.00 0.00 C ATOM 1293 CE LYS A 79 3.113 11.440 8.676 1.00 0.00 C ATOM 1294 NZ LYS A 79 3.410 12.804 9.168 1.00 0.00 N ATOM 0 H LYS A 79 5.804 8.925 3.927 1.00 0.00 H new ATOM 0 HA LYS A 79 5.438 9.054 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.431 10.500 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.262 9.233 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.132 10.594 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.772 9.311 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.832 10.837 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.895 12.121 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.037 11.317 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.439 10.703 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.925 12.959 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.436 12.909 9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.077 13.503 8.474 1.00 0.00 H new ATOM 1308 N MET A 80 4.216 6.339 5.397 1.00 0.00 N ATOM 1309 CA MET A 80 3.631 5.051 5.728 1.00 0.00 C ATOM 1310 C MET A 80 4.364 4.402 6.904 1.00 0.00 C ATOM 1311 O MET A 80 5.364 3.713 6.712 1.00 0.00 O ATOM 1312 CB MET A 80 3.704 4.129 4.509 1.00 0.00 C ATOM 1313 CG MET A 80 3.143 2.743 4.836 1.00 0.00 C ATOM 1314 SD MET A 80 2.713 1.888 3.330 1.00 0.00 S ATOM 1315 CE MET A 80 2.476 0.237 3.967 1.00 0.00 C ATOM 0 H MET A 80 4.563 6.417 4.441 1.00 0.00 H new ATOM 0 HA MET A 80 2.591 5.208 6.014 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.143 4.567 3.683 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.739 4.038 4.179 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.880 2.166 5.394 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.264 2.838 5.473 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.015 -0.386 3.201 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.440 -0.187 4.248 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.828 0.274 4.842 1.00 0.00 H new ATOM 1325 N ALA A 81 3.837 4.646 8.095 1.00 0.00 N ATOM 1326 CA ALA A 81 4.428 4.094 9.302 1.00 0.00 C ATOM 1327 C ALA A 81 3.748 2.765 9.636 1.00 0.00 C ATOM 1328 O ALA A 81 3.117 2.633 10.684 1.00 0.00 O ATOM 1329 CB ALA A 81 4.311 5.111 10.439 1.00 0.00 C ATOM 0 H ALA A 81 3.007 5.219 8.250 1.00 0.00 H new ATOM 0 HA ALA A 81 5.489 3.893 9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.754 4.697 11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.835 6.026 10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.260 5.335 10.620 1.00 0.00 H new ATOM 1335 N PHE A 82 3.900 1.814 8.726 1.00 0.00 N ATOM 1336 CA PHE A 82 3.308 0.500 8.911 1.00 0.00 C ATOM 1337 C PHE A 82 4.348 -0.504 9.414 1.00 0.00 C ATOM 1338 O PHE A 82 5.515 -0.438 9.031 1.00 0.00 O ATOM 1339 CB PHE A 82 2.795 0.043 7.544 1.00 0.00 C ATOM 1340 CG PHE A 82 2.434 -1.442 7.479 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.529 -1.960 8.351 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.018 -2.244 6.549 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.193 -3.339 8.291 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.682 -3.622 6.488 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.777 -4.141 7.361 1.00 0.00 C ATOM 0 H PHE A 82 4.425 1.927 7.859 1.00 0.00 H new ATOM 0 HA PHE A 82 2.507 0.554 9.649 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.916 0.632 7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.556 0.255 6.793 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.065 -1.323 9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.738 -1.833 5.857 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.474 -3.750 8.984 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.145 -4.258 5.748 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.522 -5.190 7.315 1.00 0.00 H new ATOM 1355 N GLY A 83 3.887 -1.409 10.264 1.00 0.00 N ATOM 1356 CA GLY A 83 4.762 -2.425 10.823 1.00 0.00 C ATOM 1357 C GLY A 83 5.152 -3.457 9.762 1.00 0.00 C ATOM 1358 O GLY A 83 4.412 -4.407 9.513 1.00 0.00 O ATOM 0 H GLY A 83 2.918 -1.460 10.579 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.659 -1.956 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.262 -2.923 11.654 1.00 0.00 H new ATOM 1362 N GLY A 84 6.314 -3.235 9.166 1.00 0.00 N ATOM 1363 CA GLY A 84 6.812 -4.133 8.138 1.00 0.00 C ATOM 1364 C GLY A 84 6.566 -5.594 8.520 1.00 0.00 C ATOM 1365 O GLY A 84 7.094 -6.074 9.522 1.00 0.00 O ATOM 0 H GLY A 84 6.925 -2.446 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.321 -3.914 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.879 -3.967 7.991 1.00 0.00 H new ATOM 1369 N LEU A 85 5.764 -6.260 7.702 1.00 0.00 N ATOM 1370 CA LEU A 85 5.442 -7.656 7.943 1.00 0.00 C ATOM 1371 C LEU A 85 6.689 -8.510 7.706 1.00 0.00 C ATOM 1372 O LEU A 85 7.745 -7.989 7.353 1.00 0.00 O ATOM 1373 CB LEU A 85 4.237 -8.080 7.101 1.00 0.00 C ATOM 1374 CG LEU A 85 3.005 -7.177 7.190 1.00 0.00 C ATOM 1375 CD1 LEU A 85 2.186 -7.238 5.899 1.00 0.00 C ATOM 1376 CD2 LEU A 85 2.162 -7.519 8.420 1.00 0.00 C ATOM 0 H LEU A 85 5.328 -5.859 6.872 1.00 0.00 H new ATOM 0 HA LEU A 85 5.145 -7.806 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.549 -8.134 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.947 -9.087 7.399 1.00 0.00 H new ATOM 0 HG LEU A 85 3.344 -6.148 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.316 -6.587 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.801 -6.908 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.856 -8.262 5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.293 -6.863 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.831 -8.556 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.761 -7.383 9.321 1.00 0.00 H new ATOM 1388 N LYS A 86 6.525 -9.809 7.911 1.00 0.00 N ATOM 1389 CA LYS A 86 7.624 -10.741 7.724 1.00 0.00 C ATOM 1390 C LYS A 86 7.066 -12.104 7.311 1.00 0.00 C ATOM 1391 O LYS A 86 7.450 -12.648 6.276 1.00 0.00 O ATOM 1392 CB LYS A 86 8.503 -10.790 8.976 1.00 0.00 C ATOM 1393 CG LYS A 86 9.699 -11.721 8.769 1.00 0.00 C ATOM 1394 CD LYS A 86 10.998 -10.924 8.634 1.00 0.00 C ATOM 1395 CE LYS A 86 11.657 -10.714 9.998 1.00 0.00 C ATOM 1396 NZ LYS A 86 11.559 -9.295 10.408 1.00 0.00 N ATOM 0 H LYS A 86 5.647 -10.238 8.205 1.00 0.00 H new ATOM 0 HA LYS A 86 8.276 -10.405 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.856 -9.787 9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.913 -11.133 9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.777 -12.411 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.544 -12.325 7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.685 -11.451 7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.790 -9.958 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.175 -11.348 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.704 -11.014 9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.011 -9.170 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.039 -8.697 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.558 -9.020 10.471 1.00 0.00 H new ATOM 1410 N LYS A 87 6.170 -12.618 8.141 1.00 0.00 N ATOM 1411 CA LYS A 87 5.556 -13.908 7.874 1.00 0.00 C ATOM 1412 C LYS A 87 4.978 -13.909 6.457 1.00 0.00 C ATOM 1413 O LYS A 87 3.833 -13.512 6.250 1.00 0.00 O ATOM 1414 CB LYS A 87 4.530 -14.247 8.957 1.00 0.00 C ATOM 1415 CG LYS A 87 5.207 -14.881 10.174 1.00 0.00 C ATOM 1416 CD LYS A 87 5.594 -16.334 9.891 1.00 0.00 C ATOM 1417 CE LYS A 87 7.094 -16.457 9.612 1.00 0.00 C ATOM 1418 NZ LYS A 87 7.325 -17.049 8.276 1.00 0.00 N ATOM 0 H LYS A 87 5.855 -12.165 8.999 1.00 0.00 H new ATOM 0 HA LYS A 87 6.302 -14.701 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.003 -13.342 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.783 -14.931 8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.096 -14.309 10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.535 -14.840 11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.327 -16.958 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.030 -16.705 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.562 -15.474 9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.563 -17.076 10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.218 -16.686 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.380 -18.084 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.540 -16.794 7.643 1.00 0.00 H new ATOM 1432 N GLU A 88 5.797 -14.362 5.519 1.00 0.00 N ATOM 1433 CA GLU A 88 5.382 -14.420 4.128 1.00 0.00 C ATOM 1434 C GLU A 88 3.963 -14.983 4.021 1.00 0.00 C ATOM 1435 O GLU A 88 3.203 -14.595 3.136 1.00 0.00 O ATOM 1436 CB GLU A 88 6.364 -15.248 3.297 1.00 0.00 C ATOM 1437 CG GLU A 88 7.283 -14.344 2.473 1.00 0.00 C ATOM 1438 CD GLU A 88 8.047 -15.151 1.421 1.00 0.00 C ATOM 1439 OE1 GLU A 88 7.405 -16.027 0.803 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.255 -14.872 1.259 1.00 0.00 O ATOM 0 H GLU A 88 6.746 -14.692 5.695 1.00 0.00 H new ATOM 0 HA GLU A 88 5.382 -13.407 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.962 -15.878 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.813 -15.914 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.693 -13.569 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.989 -13.839 3.132 1.00 0.00 H new ATOM 1447 N LYS A 89 3.650 -15.889 4.936 1.00 0.00 N ATOM 1448 CA LYS A 89 2.336 -16.510 4.955 1.00 0.00 C ATOM 1449 C LYS A 89 1.265 -15.432 4.769 1.00 0.00 C ATOM 1450 O LYS A 89 0.574 -15.408 3.752 1.00 0.00 O ATOM 1451 CB LYS A 89 2.156 -17.343 6.226 1.00 0.00 C ATOM 1452 CG LYS A 89 3.386 -18.214 6.489 1.00 0.00 C ATOM 1453 CD LYS A 89 2.987 -19.676 6.700 1.00 0.00 C ATOM 1454 CE LYS A 89 4.091 -20.620 6.217 1.00 0.00 C ATOM 1455 NZ LYS A 89 3.824 -21.061 4.829 1.00 0.00 N ATOM 0 H LYS A 89 4.283 -16.208 5.669 1.00 0.00 H new ATOM 0 HA LYS A 89 2.233 -17.210 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.985 -16.683 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.273 -17.974 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.076 -18.139 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.915 -17.847 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.788 -19.854 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.063 -19.886 6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.056 -20.116 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.151 -21.487 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.582 -21.701 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.912 -21.560 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.790 -20.232 4.202 1.00 0.00 H new ATOM 1469 N ASP A 90 1.162 -14.567 5.768 1.00 0.00 N ATOM 1470 CA ASP A 90 0.188 -13.490 5.727 1.00 0.00 C ATOM 1471 C ASP A 90 0.414 -12.650 4.468 1.00 0.00 C ATOM 1472 O ASP A 90 -0.534 -12.329 3.754 1.00 0.00 O ATOM 1473 CB ASP A 90 0.333 -12.570 6.941 1.00 0.00 C ATOM 1474 CG ASP A 90 -0.804 -12.663 7.961 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -1.710 -13.492 7.728 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.742 -11.902 8.951 1.00 0.00 O ATOM 0 H ASP A 90 1.737 -14.590 6.610 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.807 -13.935 5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.272 -12.802 7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.404 -11.540 6.591 1.00 0.00 H new ATOM 1481 N ARG A 91 1.676 -12.320 4.235 1.00 0.00 N ATOM 1482 CA ARG A 91 2.039 -11.524 3.075 1.00 0.00 C ATOM 1483 C ARG A 91 1.367 -12.080 1.818 1.00 0.00 C ATOM 1484 O ARG A 91 0.939 -11.321 0.951 1.00 0.00 O ATOM 1485 CB ARG A 91 3.555 -11.508 2.870 1.00 0.00 C ATOM 1486 CG ARG A 91 4.275 -11.048 4.140 1.00 0.00 C ATOM 1487 CD ARG A 91 5.729 -10.676 3.841 1.00 0.00 C ATOM 1488 NE ARG A 91 5.796 -9.834 2.625 1.00 0.00 N ATOM 1489 CZ ARG A 91 6.885 -9.717 1.853 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.003 -10.386 2.164 1.00 0.00 N ATOM 1491 NH2 ARG A 91 6.855 -8.931 0.768 1.00 0.00 N ATOM 0 H ARG A 91 2.460 -12.589 4.830 1.00 0.00 H new ATOM 0 HA ARG A 91 1.697 -10.504 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.899 -12.505 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.807 -10.843 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.756 -10.189 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.245 -11.841 4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.158 -10.141 4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.323 -11.579 3.701 1.00 0.00 H new ATOM 0 HE ARG A 91 4.962 -9.311 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.026 -10.985 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.831 -10.296 1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.004 -8.422 0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.684 -8.842 0.180 1.00 0.00 H new ATOM 1505 N ASN A 92 1.297 -13.402 1.760 1.00 0.00 N ATOM 1506 CA ASN A 92 0.685 -14.069 0.623 1.00 0.00 C ATOM 1507 C ASN A 92 -0.830 -13.854 0.666 1.00 0.00 C ATOM 1508 O ASN A 92 -1.406 -13.288 -0.261 1.00 0.00 O ATOM 1509 CB ASN A 92 0.949 -15.576 0.661 1.00 0.00 C ATOM 1510 CG ASN A 92 2.433 -15.878 0.444 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.240 -15.001 0.181 1.00 0.00 O ATOM 1512 ND2 ASN A 92 2.748 -17.164 0.569 1.00 0.00 N ATOM 0 H ASN A 92 1.654 -14.029 2.481 1.00 0.00 H new ATOM 0 HA ASN A 92 1.116 -13.650 -0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.628 -15.981 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.357 -16.072 -0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.714 -17.467 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.024 -17.847 0.791 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.431 -14.317 1.752 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.867 -14.182 1.928 1.00 0.00 C ATOM 1521 C ASP A 93 -3.294 -12.767 1.533 1.00 0.00 C ATOM 1522 O ASP A 93 -4.216 -12.592 0.739 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.266 -14.407 3.388 1.00 0.00 C ATOM 1524 CG ASP A 93 -3.085 -15.839 3.895 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -3.197 -16.757 3.054 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.838 -15.983 5.112 1.00 0.00 O ATOM 0 H ASP A 93 -0.950 -14.786 2.519 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.356 -14.928 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.678 -13.738 4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.311 -14.124 3.511 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.602 -11.793 2.107 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.899 -10.399 1.825 1.00 0.00 C ATOM 1533 C LEU A 94 -2.875 -10.173 0.312 1.00 0.00 C ATOM 1534 O LEU A 94 -3.912 -9.911 -0.296 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.949 -9.482 2.598 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.447 -8.057 2.848 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.848 -8.066 3.462 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -1.452 -7.271 3.703 1.00 0.00 C ATOM 0 H LEU A 94 -1.837 -11.942 2.765 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.901 -10.146 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.733 -9.944 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.007 -9.426 2.053 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.520 -7.547 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.178 -7.041 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.540 -8.564 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.825 -8.600 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.830 -6.262 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.324 -7.770 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.492 -7.220 3.190 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.682 -10.283 -0.252 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.510 -10.094 -1.683 1.00 0.00 C ATOM 1552 C ILE A 95 -2.687 -10.732 -2.422 1.00 0.00 C ATOM 1553 O ILE A 95 -3.356 -10.073 -3.217 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.144 -10.618 -2.132 1.00 0.00 C ATOM 1555 CG1 ILE A 95 0.990 -9.825 -1.479 1.00 0.00 C ATOM 1556 CG2 ILE A 95 -0.034 -10.624 -3.658 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.286 -10.638 -1.460 1.00 0.00 C ATOM 0 H ILE A 95 -0.824 -10.501 0.256 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.515 -9.033 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.048 -11.651 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.148 -8.894 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.711 -9.555 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.946 -11.001 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.809 -11.266 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.160 -9.609 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.076 -10.052 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.131 -11.557 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.575 -10.885 -2.481 1.00 0.00 H new ATOM 1569 N THR A 96 -2.905 -12.006 -2.134 1.00 0.00 N ATOM 1570 CA THR A 96 -3.990 -12.741 -2.762 1.00 0.00 C ATOM 1571 C THR A 96 -5.254 -11.880 -2.818 1.00 0.00 C ATOM 1572 O THR A 96 -5.890 -11.772 -3.866 1.00 0.00 O ATOM 1573 CB THR A 96 -4.181 -14.051 -1.995 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.817 -15.059 -2.934 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.651 -14.341 -1.688 1.00 0.00 C ATOM 0 H THR A 96 -2.349 -12.549 -1.474 1.00 0.00 H new ATOM 0 HA THR A 96 -3.754 -12.986 -3.798 1.00 0.00 H new ATOM 0 HB THR A 96 -3.617 -14.011 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.942 -14.846 -3.320 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.730 -15.282 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.062 -13.534 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.210 -14.414 -2.621 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.581 -11.290 -1.678 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.757 -10.442 -1.584 1.00 0.00 C ATOM 1585 C TYR A 97 -6.479 -9.053 -2.161 1.00 0.00 C ATOM 1586 O TYR A 97 -7.286 -8.520 -2.922 1.00 0.00 O ATOM 1587 CB TYR A 97 -7.063 -10.309 -0.091 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.015 -9.161 0.250 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -7.518 -7.892 0.462 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -9.372 -9.396 0.344 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -8.415 -6.812 0.783 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -10.269 -8.316 0.664 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.746 -7.077 0.868 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.593 -6.057 1.170 1.00 0.00 O ATOM 0 H TYR A 97 -5.052 -11.382 -0.811 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.587 -10.873 -2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.496 -11.244 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.128 -10.164 0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.456 -7.708 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.761 -10.390 0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -8.039 -5.814 0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.333 -8.486 0.740 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.513 -6.393 1.196 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.335 -8.505 -1.777 1.00 0.00 N ATOM 1605 CA LEU A 98 -4.941 -7.188 -2.247 1.00 0.00 C ATOM 1606 C LEU A 98 -5.222 -7.082 -3.748 1.00 0.00 C ATOM 1607 O LEU A 98 -5.875 -6.141 -4.195 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.486 -6.899 -1.872 1.00 0.00 C ATOM 1609 CG LEU A 98 -3.226 -5.558 -1.182 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -3.788 -4.399 -2.006 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -3.771 -5.562 0.248 1.00 0.00 C ATOM 0 H LEU A 98 -4.669 -8.949 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.532 -6.415 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.135 -7.696 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.882 -6.942 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.148 -5.412 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.590 -3.458 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.312 -4.385 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.864 -4.527 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.573 -4.597 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.846 -5.741 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.283 -6.350 0.821 1.00 0.00 H new ATOM 1623 N LYS A 99 -4.713 -8.060 -4.483 1.00 0.00 N ATOM 1624 CA LYS A 99 -4.901 -8.087 -5.924 1.00 0.00 C ATOM 1625 C LYS A 99 -6.389 -7.926 -6.243 1.00 0.00 C ATOM 1626 O LYS A 99 -6.752 -7.238 -7.196 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.278 -9.350 -6.521 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.522 -9.422 -8.030 1.00 0.00 C ATOM 1629 CD LYS A 99 -5.823 -10.165 -8.340 1.00 0.00 C ATOM 1630 CE LYS A 99 -5.578 -11.316 -9.317 1.00 0.00 C ATOM 1631 NZ LYS A 99 -6.818 -11.639 -10.059 1.00 0.00 N ATOM 0 H LYS A 99 -4.171 -8.839 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.382 -7.251 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.206 -9.360 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.701 -10.231 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.567 -8.414 -8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.686 -9.928 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.253 -10.553 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.550 -9.472 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.788 -11.044 -10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.233 -12.195 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.634 -12.422 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.561 -11.918 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.130 -10.803 -10.593 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.210 -8.572 -5.428 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.650 -8.509 -5.611 1.00 0.00 C ATOM 1647 C LYS A 100 -9.152 -7.125 -5.196 1.00 0.00 C ATOM 1648 O LYS A 100 -9.964 -6.520 -5.895 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.335 -9.659 -4.872 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.817 -9.744 -5.242 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.690 -9.106 -4.159 1.00 0.00 C ATOM 1652 CE LYS A 100 -11.866 -10.052 -2.970 1.00 0.00 C ATOM 1653 NZ LYS A 100 -12.663 -11.236 -3.363 1.00 0.00 N ATOM 0 H LYS A 100 -6.905 -9.142 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.907 -8.640 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.841 -10.599 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.233 -9.517 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.987 -9.241 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.103 -10.787 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.236 -8.174 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.665 -8.853 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.890 -10.369 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.360 -9.529 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.114 -11.646 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.396 -10.951 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.040 -11.944 -3.801 1.00 0.00 H new ATOM 1667 N ALA A 101 -8.648 -6.663 -4.061 1.00 0.00 N ATOM 1668 CA ALA A 101 -9.036 -5.361 -3.545 1.00 0.00 C ATOM 1669 C ALA A 101 -9.082 -4.354 -4.695 1.00 0.00 C ATOM 1670 O ALA A 101 -10.016 -3.560 -4.792 1.00 0.00 O ATOM 1671 CB ALA A 101 -8.064 -4.940 -2.440 1.00 0.00 C ATOM 0 H ALA A 101 -7.974 -7.167 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.032 -5.404 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.354 -3.963 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.090 -5.673 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.054 -4.883 -2.846 1.00 0.00 H new ATOM 1677 N SER A 102 -8.062 -4.420 -5.539 1.00 0.00 N ATOM 1678 CA SER A 102 -7.975 -3.523 -6.679 1.00 0.00 C ATOM 1679 C SER A 102 -8.795 -4.079 -7.845 1.00 0.00 C ATOM 1680 O SER A 102 -9.292 -3.320 -8.676 1.00 0.00 O ATOM 1681 CB SER A 102 -6.521 -3.314 -7.105 1.00 0.00 C ATOM 1682 OG SER A 102 -5.918 -2.217 -6.425 1.00 0.00 O ATOM 0 H SER A 102 -7.289 -5.081 -5.456 1.00 0.00 H new ATOM 0 HA SER A 102 -8.382 -2.555 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.951 -4.221 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.480 -3.141 -8.180 1.00 0.00 H new ATOM 0 HG SER A 102 -5.643 -2.499 -5.528 1.00 0.00 H new ATOM 1688 N GLU A 103 -8.912 -5.399 -7.869 1.00 0.00 N ATOM 1689 CA GLU A 103 -9.663 -6.064 -8.920 1.00 0.00 C ATOM 1690 C GLU A 103 -10.952 -6.662 -8.353 1.00 0.00 C ATOM 1691 O GLU A 103 -11.948 -5.958 -8.190 1.00 0.00 O ATOM 1692 CB GLU A 103 -8.815 -7.139 -9.604 1.00 0.00 C ATOM 1693 CG GLU A 103 -9.111 -7.198 -11.104 1.00 0.00 C ATOM 1694 CD GLU A 103 -8.466 -6.020 -11.837 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -8.402 -4.935 -11.221 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -8.053 -6.232 -12.997 1.00 0.00 O ATOM 0 H GLU A 103 -8.499 -6.025 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.929 -5.323 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.757 -6.928 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.017 -8.110 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.737 -8.136 -11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.189 -7.186 -11.266 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 0.183 2.071 3.277 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.349 4.266 1.020 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.403 -0.166 0.756 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.466 -0.337 5.575 1.00 0.00 C HETATM 1708 CHD HEC A 104 0.177 4.365 5.636 1.00 0.00 C HETATM 1709 NA HEC A 104 0.427 2.084 1.333 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.902 3.048 0.529 1.00 0.00 C HETATM 1711 C2A HEC A 104 1.191 2.552 -0.838 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.667 1.327 -0.880 1.00 0.00 C HETATM 1713 C4A HEC A 104 0.218 0.961 0.390 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.681 0.367 -2.130 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.734 3.453 -1.910 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.733 4.630 -2.146 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.278 6.049 -2.112 1.00 0.00 C HETATM 1718 O1A HEC A 104 2.410 6.159 -2.596 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.593 6.982 -1.640 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.350 0.092 3.196 1.00 0.00 N HETATM 1721 C1B HEC A 104 -0.749 -0.567 2.040 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.151 -1.903 2.470 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.117 -2.007 3.822 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.659 -0.706 4.231 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.697 -2.961 1.444 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.512 -3.122 4.755 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.682 -4.406 4.590 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.089 2.058 5.257 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.341 1.020 6.101 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.582 1.325 7.457 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.353 2.654 7.485 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.135 3.127 6.120 1.00 0.00 C HETATM 1733 CMC HEC A 104 -0.897 0.407 8.598 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.615 3.713 8.601 1.00 0.00 C HETATM 1735 CBC HEC A 104 0.141 3.372 9.905 1.00 0.00 C HETATM 1736 ND HEC A 104 0.662 3.966 3.336 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.596 4.810 4.438 1.00 0.00 C HETATM 1738 C2D HEC A 104 1.026 6.082 4.083 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.390 6.054 2.790 1.00 0.00 C HETATM 1740 C4D HEC A 104 1.231 4.678 2.327 1.00 0.00 C HETATM 1741 CMD HEC A 104 1.160 7.336 5.062 1.00 0.00 C HETATM 1742 CAD HEC A 104 2.060 7.220 2.021 1.00 0.00 C HETATM 1743 CBD HEC A 104 1.156 7.825 0.972 1.00 0.00 C HETATM 1744 CGD HEC A 104 0.391 9.087 1.326 1.00 0.00 C HETATM 1745 O1D HEC A 104 -0.353 9.039 2.342 1.00 0.00 O HETATM 1746 O2D HEC A 104 0.456 9.992 0.464 1.00 0.00 O HETATM 0 HMD3 HEC A 104 0.186 7.566 5.494 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.864 7.101 5.860 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.521 8.198 4.501 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.818 -0.136 8.385 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.080 -0.302 8.731 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.023 0.990 9.510 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.595 -2.572 0.964 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -0.938 -3.160 0.688 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -1.937 -3.886 1.968 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.160 0.843 -2.960 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.712 0.161 -2.419 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.181 -0.568 -1.876 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 1.763 8.039 0.093 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 0.430 7.066 0.681 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.188 2.400 10.272 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 1.212 3.342 9.707 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.068 4.133 10.656 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.795 -4.784 3.574 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.369 -4.187 4.781 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.030 -5.158 5.298 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.261 4.477 -3.116 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.053 4.556 -1.394 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.356 7.994 2.729 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 2.971 6.859 1.544 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.709 3.842 -1.616 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.880 2.893 -2.834 1.00 0.00 H new HETATM 0 HHD HEC A 104 0.063 5.158 6.375 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.403 -1.149 6.300 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.669 -0.851 -0.049 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.830 4.947 0.318 1.00 0.00 H new HETATM 0 H2D HEC A 104 0.547 10.861 0.908 1.00 0.00 H new HETATM 0 H2A HEC A 104 0.569 7.725 -2.278 1.00 0.00 H new