USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 854 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD Set 1.1: A 96 SER OG : rot -85:sc= -1.18 USER MOD Set 1.2: A 129 HEM CMB :methyl -30:sc= -1.8 (180deg=-0.943) USER MOD Set 2.1: A 58 THR OG1 : rot -108:sc= 1.23 USER MOD Set 2.2: A 59 LYS NZ :NH3+ 165:sc= -0.104 (180deg=-0.475) USER MOD Set 3.1: A 53 LYS NZ :NH3+ -170:sc= -0.178 (180deg=-0.274) USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= -0.0863 USER MOD Set 4.1: A 51 HIS : no HD1:sc= -0.67 K(o=-0.061,f=-1) USER MOD Set 4.2: A 80 THR OG1 : rot -112:sc= 0.609 USER MOD Set 5.1: A 40 HIS : no HE2:sc= -0.105 K(o=-0.11,f=-1.1) USER MOD Set 5.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 30 LYS NZ :NH3+ -128:sc= 0.0421 (180deg=0) USER MOD Set 6.2: A 32 TYR OH : rot 10:sc= 0.322 USER MOD Single : A 21 MET CE :methyl 161:sc= -0.122 (180deg=-0.58) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.67 F(o=-1.2,f=-0.67) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00315 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -70:sc= 0.683 USER MOD Single : A 38 GLN :FLIP amide:sc= -1.75! C(o=-6.7!,f=-1.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.302 K(o=0.3,f=-5!) USER MOD Single : A 42 HIS : no HD1:sc= -0.445 K(o=-0.45,f=-1.7) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0638 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -29:sc= -0.0885 USER MOD Single : A 52 HIS : no HE2:sc= -0.237 K(o=-0.23,f=-2.9!) USER MOD Single : A 74 GLN : amide:sc= 0.104 X(o=0.1,f=-0.14) USER MOD Single : A 82 ASN : amide:sc= -0.0744 X(o=-0.074,f=-0.046) USER MOD Single : A 89 SER OG : rot 44:sc= 0.666 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.0142 (180deg=-0.152) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 105 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.3!) USER MOD Single : A 111 LYS NZ :NH3+ -117:sc= 1.22 (180deg=-0.135) USER MOD Single : A 113 ASN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 164:sc= 0.538 (180deg=-0.173!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -21:sc= 0.931 USER MOD Single : A 122 THR OG1 : rot 45:sc= 0.143 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 2:sc= 1.19 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HEM CMA :methyl 150:sc= -0.375 (180deg=-0.375) USER MOD Single : A 129 HEM CMC :methyl -30:sc= -1.14 (180deg=-3.52!) USER MOD Single : A 129 HEM CMD :methyl -30:sc= -1.19 (180deg=-2.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 14.659 2.327 -3.348 1.00 14.68 N ATOM 2 CA MET A 21 14.872 0.966 -2.871 1.00 14.32 C ATOM 3 C MET A 21 14.398 -0.006 -3.951 1.00 13.51 C ATOM 4 O MET A 21 14.891 0.044 -5.072 1.00 13.68 O ATOM 5 CB MET A 21 14.133 0.724 -1.549 1.00 14.15 C ATOM 6 CG MET A 21 14.567 -0.539 -0.833 1.00 14.65 C ATOM 7 SD MET A 21 13.708 -0.761 0.741 1.00 15.21 S ATOM 8 CE MET A 21 12.010 -0.928 0.192 1.00 15.63 C ATOM 0 HA MET A 21 15.933 0.808 -2.677 1.00 14.32 H new ATOM 0 HB2 MET A 21 14.294 1.578 -0.891 1.00 14.15 H new ATOM 0 HB3 MET A 21 13.062 0.670 -1.746 1.00 14.15 H new ATOM 0 HG2 MET A 21 14.378 -1.401 -1.473 1.00 14.65 H new ATOM 0 HG3 MET A 21 15.642 -0.503 -0.656 1.00 14.65 H new ATOM 0 HE1 MET A 21 11.418 -1.397 0.978 1.00 15.63 H new ATOM 0 HE2 MET A 21 11.601 0.057 -0.031 1.00 15.63 H new ATOM 0 HE3 MET A 21 11.977 -1.546 -0.705 1.00 15.63 H new ATOM 18 N ALA A 22 13.410 -0.840 -3.641 1.00 12.77 N ATOM 19 CA ALA A 22 12.857 -1.759 -4.621 1.00 12.10 C ATOM 20 C ALA A 22 11.466 -2.204 -4.190 1.00 11.21 C ATOM 21 O ALA A 22 11.126 -2.125 -3.011 1.00 11.30 O ATOM 22 CB ALA A 22 13.767 -2.968 -4.800 1.00 12.20 C ATOM 0 H ALA A 22 12.978 -0.896 -2.718 1.00 12.77 H new ATOM 0 HA ALA A 22 12.784 -1.243 -5.578 1.00 12.10 H new ATOM 0 HB1 ALA A 22 13.334 -3.643 -5.538 1.00 12.20 H new ATOM 0 HB2 ALA A 22 14.748 -2.638 -5.142 1.00 12.20 H new ATOM 0 HB3 ALA A 22 13.871 -3.489 -3.848 1.00 12.20 H new ATOM 28 N GLU A 23 10.656 -2.622 -5.142 1.00 10.56 N ATOM 29 CA GLU A 23 9.350 -3.182 -4.833 1.00 9.86 C ATOM 30 C GLU A 23 9.522 -4.551 -4.172 1.00 9.83 C ATOM 31 O GLU A 23 9.355 -4.677 -2.961 1.00 10.22 O ATOM 32 CB GLU A 23 8.465 -3.263 -6.097 1.00 8.92 C ATOM 33 CG GLU A 23 9.116 -3.903 -7.334 1.00 9.14 C ATOM 34 CD GLU A 23 10.166 -3.031 -8.019 1.00 9.74 C ATOM 35 OE1 GLU A 23 10.264 -1.836 -7.666 1.00 10.29 O ATOM 36 OE2 GLU A 23 10.885 -3.531 -8.911 1.00 9.87 O ATOM 0 H GLU A 23 10.877 -2.586 -6.137 1.00 10.56 H new ATOM 0 HA GLU A 23 8.837 -2.523 -4.132 1.00 9.86 H new ATOM 0 HB2 GLU A 23 7.565 -3.827 -5.851 1.00 8.92 H new ATOM 0 HB3 GLU A 23 8.147 -2.254 -6.359 1.00 8.92 H new ATOM 0 HG2 GLU A 23 9.580 -4.844 -7.039 1.00 9.14 H new ATOM 0 HG3 GLU A 23 8.336 -4.145 -8.056 1.00 9.14 H new ATOM 43 N GLN A 24 9.922 -5.532 -4.984 1.00 9.65 N ATOM 44 CA GLN A 24 10.212 -6.902 -4.565 1.00 9.95 C ATOM 45 C GLN A 24 10.339 -7.736 -5.828 1.00 9.30 C ATOM 46 O GLN A 24 11.436 -8.081 -6.278 1.00 9.57 O ATOM 47 CB GLN A 24 9.108 -7.504 -3.670 1.00 10.36 C ATOM 48 CG GLN A 24 9.409 -7.458 -2.173 1.00 11.10 C ATOM 49 CD GLN A 24 10.683 -8.194 -1.801 1.00 11.88 C ATOM 50 OE1 GLN A 24 11.809 -7.490 -1.811 1.00 12.37 O flip ATOM 51 NE2 GLN A 24 10.654 -9.385 -1.504 1.00 12.20 N flip ATOM 0 H GLN A 24 10.057 -5.388 -5.985 1.00 9.65 H new ATOM 0 HA GLN A 24 11.127 -6.900 -3.972 1.00 9.95 H new ATOM 0 HB2 GLN A 24 8.176 -6.971 -3.857 1.00 10.36 H new ATOM 0 HB3 GLN A 24 8.946 -8.541 -3.963 1.00 10.36 H new ATOM 0 HG2 GLN A 24 9.491 -6.418 -1.856 1.00 11.10 H new ATOM 0 HG3 GLN A 24 8.572 -7.893 -1.626 1.00 11.10 H new ATOM 0 HE21 GLN A 24 9.768 -9.890 -1.508 1.00 12.20 H new ATOM 0 HE22 GLN A 24 11.516 -9.869 -1.253 1.00 12.20 H new ATOM 60 N SER A 25 9.190 -8.001 -6.418 1.00 8.66 N ATOM 61 CA SER A 25 9.089 -8.620 -7.726 1.00 8.30 C ATOM 62 C SER A 25 7.813 -8.105 -8.392 1.00 7.40 C ATOM 63 O SER A 25 6.996 -7.470 -7.717 1.00 7.32 O ATOM 64 CB SER A 25 9.052 -10.150 -7.609 1.00 8.45 C ATOM 65 OG SER A 25 10.176 -10.631 -6.892 1.00 8.80 O ATOM 0 H SER A 25 8.286 -7.789 -5.996 1.00 8.66 H new ATOM 0 HA SER A 25 9.962 -8.362 -8.326 1.00 8.30 H new ATOM 0 HB2 SER A 25 8.136 -10.458 -7.105 1.00 8.45 H new ATOM 0 HB3 SER A 25 9.033 -10.594 -8.604 1.00 8.45 H new ATOM 0 HG SER A 25 10.130 -11.608 -6.829 1.00 8.80 H new ATOM 71 N ASP A 26 7.635 -8.348 -9.686 1.00 7.02 N ATOM 72 CA ASP A 26 6.432 -7.891 -10.390 1.00 6.51 C ATOM 73 C ASP A 26 5.179 -8.446 -9.714 1.00 5.72 C ATOM 74 O ASP A 26 4.197 -7.734 -9.477 1.00 5.93 O ATOM 75 CB ASP A 26 6.487 -8.341 -11.853 1.00 6.68 C ATOM 76 CG ASP A 26 5.322 -7.809 -12.671 1.00 7.05 C ATOM 77 OD1 ASP A 26 5.372 -6.633 -13.092 1.00 7.49 O ATOM 78 OD2 ASP A 26 4.355 -8.562 -12.894 1.00 7.19 O ATOM 0 H ASP A 26 8.301 -8.855 -10.269 1.00 7.02 H new ATOM 0 HA ASP A 26 6.391 -6.802 -10.353 1.00 6.51 H new ATOM 0 HB2 ASP A 26 7.423 -8.004 -12.298 1.00 6.68 H new ATOM 0 HB3 ASP A 26 6.488 -9.430 -11.895 1.00 6.68 H new ATOM 83 N GLU A 27 5.273 -9.720 -9.359 1.00 5.18 N ATOM 84 CA GLU A 27 4.141 -10.524 -8.926 1.00 4.82 C ATOM 85 C GLU A 27 3.842 -10.348 -7.437 1.00 3.91 C ATOM 86 O GLU A 27 2.700 -10.512 -7.012 1.00 4.18 O ATOM 87 CB GLU A 27 4.456 -11.994 -9.228 1.00 5.12 C ATOM 88 CG GLU A 27 3.334 -12.957 -8.911 1.00 5.86 C ATOM 89 CD GLU A 27 3.658 -14.371 -9.336 1.00 6.70 C ATOM 90 OE1 GLU A 27 3.681 -14.648 -10.556 1.00 7.26 O ATOM 91 OE2 GLU A 27 3.884 -15.215 -8.446 1.00 7.03 O ATOM 0 H GLU A 27 6.155 -10.232 -9.364 1.00 5.18 H new ATOM 0 HA GLU A 27 3.253 -10.196 -9.466 1.00 4.82 H new ATOM 0 HB2 GLU A 27 4.710 -12.088 -10.284 1.00 5.12 H new ATOM 0 HB3 GLU A 27 5.339 -12.287 -8.660 1.00 5.12 H new ATOM 0 HG2 GLU A 27 3.133 -12.938 -7.840 1.00 5.86 H new ATOM 0 HG3 GLU A 27 2.423 -12.629 -9.412 1.00 5.86 H new ATOM 98 N ALA A 28 4.856 -10.010 -6.652 1.00 3.15 N ATOM 99 CA ALA A 28 4.732 -10.074 -5.200 1.00 2.43 C ATOM 100 C ALA A 28 4.525 -8.705 -4.568 1.00 1.93 C ATOM 101 O ALA A 28 5.392 -7.835 -4.639 1.00 2.03 O ATOM 102 CB ALA A 28 5.951 -10.754 -4.589 1.00 2.71 C ATOM 0 H ALA A 28 5.764 -9.692 -6.990 1.00 3.15 H new ATOM 0 HA ALA A 28 3.841 -10.665 -4.987 1.00 2.43 H new ATOM 0 HB1 ALA A 28 5.841 -10.793 -3.505 1.00 2.71 H new ATOM 0 HB2 ALA A 28 6.037 -11.767 -4.981 1.00 2.71 H new ATOM 0 HB3 ALA A 28 6.848 -10.189 -4.843 1.00 2.71 H new ATOM 108 N VAL A 29 3.365 -8.541 -3.940 1.00 1.65 N ATOM 109 CA VAL A 29 3.033 -7.319 -3.209 1.00 1.29 C ATOM 110 C VAL A 29 3.263 -7.523 -1.718 1.00 1.04 C ATOM 111 O VAL A 29 2.821 -8.528 -1.153 1.00 1.10 O ATOM 112 CB VAL A 29 1.559 -6.896 -3.433 1.00 1.34 C ATOM 113 CG1 VAL A 29 1.277 -5.563 -2.756 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.244 -6.836 -4.918 1.00 1.82 C ATOM 0 H VAL A 29 2.630 -9.248 -3.922 1.00 1.65 H new ATOM 0 HA VAL A 29 3.682 -6.530 -3.588 1.00 1.29 H new ATOM 0 HB VAL A 29 0.908 -7.645 -2.981 1.00 1.34 H new ATOM 0 HG11 VAL A 29 0.237 -5.282 -2.924 1.00 1.70 H new ATOM 0 HG12 VAL A 29 1.460 -5.653 -1.685 1.00 1.70 H new ATOM 0 HG13 VAL A 29 1.931 -4.798 -3.173 1.00 1.70 H new ATOM 0 HG21 VAL A 29 0.205 -6.537 -5.058 1.00 1.82 H new ATOM 0 HG22 VAL A 29 1.898 -6.109 -5.400 1.00 1.82 H new ATOM 0 HG23 VAL A 29 1.402 -7.818 -5.364 1.00 1.82 H new ATOM 124 N LYS A 30 3.965 -6.584 -1.083 1.00 0.90 N ATOM 125 CA LYS A 30 4.183 -6.666 0.357 1.00 0.79 C ATOM 126 C LYS A 30 2.887 -6.394 1.086 1.00 0.63 C ATOM 127 O LYS A 30 2.082 -5.590 0.615 1.00 0.66 O ATOM 128 CB LYS A 30 5.219 -5.652 0.836 1.00 0.87 C ATOM 129 CG LYS A 30 6.606 -5.851 0.270 1.00 1.26 C ATOM 130 CD LYS A 30 7.626 -5.020 1.036 1.00 2.11 C ATOM 131 CE LYS A 30 7.353 -3.528 0.926 1.00 2.93 C ATOM 132 NZ LYS A 30 8.169 -2.739 1.894 1.00 3.71 N ATOM 0 H LYS A 30 4.385 -5.772 -1.535 1.00 0.90 H new ATOM 0 HA LYS A 30 4.549 -7.670 0.570 1.00 0.79 H new ATOM 0 HB2 LYS A 30 4.875 -4.651 0.575 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.275 -5.697 1.924 1.00 0.87 H new ATOM 0 HG2 LYS A 30 6.877 -6.906 0.321 1.00 1.26 H new ATOM 0 HG3 LYS A 30 6.618 -5.570 -0.783 1.00 1.26 H new ATOM 0 HD2 LYS A 30 7.615 -5.313 2.086 1.00 2.11 H new ATOM 0 HD3 LYS A 30 8.625 -5.234 0.656 1.00 2.11 H new ATOM 0 HE2 LYS A 30 7.570 -3.193 -0.088 1.00 2.93 H new ATOM 0 HE3 LYS A 30 6.295 -3.339 1.105 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 7.547 -2.110 2.440 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 8.662 -3.387 2.542 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 8.868 -2.170 1.376 1.00 3.71 H new ATOM 146 N TYR A 31 2.679 -7.040 2.222 1.00 0.56 N ATOM 147 CA TYR A 31 1.503 -6.767 3.012 1.00 0.49 C ATOM 148 C TYR A 31 1.875 -5.914 4.207 1.00 0.50 C ATOM 149 O TYR A 31 3.050 -5.783 4.550 1.00 0.64 O ATOM 150 CB TYR A 31 0.845 -8.057 3.509 1.00 0.56 C ATOM 151 CG TYR A 31 0.539 -9.066 2.428 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.021 -8.684 1.218 1.00 0.61 C ATOM 153 CD2 TYR A 31 0.809 -10.407 2.630 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.302 -9.616 0.243 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.530 -11.345 1.663 1.00 0.94 C ATOM 156 CZ TYR A 31 -0.024 -10.949 0.469 1.00 0.89 C ATOM 157 OH TYR A 31 -0.311 -11.882 -0.497 1.00 1.06 O ATOM 0 H TYR A 31 3.304 -7.747 2.609 1.00 0.56 H new ATOM 0 HA TYR A 31 0.793 -6.240 2.375 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.499 -8.522 4.246 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.082 -7.802 4.022 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.240 -7.642 1.038 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.247 -10.724 3.565 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.738 -9.305 -0.695 1.00 0.75 H new ATOM 0 HE2 TYR A 31 0.745 -12.388 1.841 1.00 0.94 H new ATOM 0 HH TYR A 31 -0.053 -12.772 -0.179 1.00 1.06 H new ATOM 167 N TYR A 32 0.882 -5.320 4.816 1.00 0.43 N ATOM 168 CA TYR A 32 1.063 -4.673 6.094 1.00 0.46 C ATOM 169 C TYR A 32 -0.029 -5.133 7.039 1.00 0.53 C ATOM 170 O TYR A 32 -1.093 -5.574 6.597 1.00 0.89 O ATOM 171 CB TYR A 32 1.067 -3.148 5.946 1.00 0.46 C ATOM 172 CG TYR A 32 2.264 -2.619 5.172 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.284 -2.640 3.782 1.00 0.98 C ATOM 174 CD2 TYR A 32 3.372 -2.108 5.826 1.00 1.09 C ATOM 175 CE1 TYR A 32 3.368 -2.165 3.073 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.457 -1.629 5.121 1.00 1.20 C ATOM 177 CZ TYR A 32 4.453 -1.661 3.744 1.00 0.81 C ATOM 178 OH TYR A 32 5.539 -1.184 3.034 1.00 0.96 O ATOM 0 H TYR A 32 -0.067 -5.270 4.446 1.00 0.43 H new ATOM 0 HA TYR A 32 2.033 -4.953 6.506 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.152 -2.837 5.442 1.00 0.46 H new ATOM 0 HB3 TYR A 32 1.055 -2.694 6.937 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.434 -3.036 3.246 1.00 0.98 H new ATOM 0 HD2 TYR A 32 3.387 -2.084 6.906 1.00 1.09 H new ATOM 0 HE1 TYR A 32 3.362 -2.190 1.993 1.00 1.03 H new ATOM 0 HE2 TYR A 32 5.310 -1.229 5.649 1.00 1.20 H new ATOM 0 HH TYR A 32 5.310 -1.131 2.083 1.00 0.96 H new ATOM 188 N THR A 33 0.225 -5.073 8.329 1.00 0.48 N ATOM 189 CA THR A 33 -0.780 -5.480 9.293 1.00 0.57 C ATOM 190 C THR A 33 -1.754 -4.340 9.532 1.00 0.56 C ATOM 191 O THR A 33 -1.353 -3.194 9.700 1.00 0.60 O ATOM 192 CB THR A 33 -0.147 -5.966 10.613 1.00 0.72 C ATOM 193 OG1 THR A 33 0.705 -4.964 11.189 1.00 0.77 O ATOM 194 CG2 THR A 33 0.645 -7.236 10.377 1.00 0.82 C ATOM 0 H THR A 33 1.105 -4.751 8.732 1.00 0.48 H new ATOM 0 HA THR A 33 -1.326 -6.328 8.880 1.00 0.57 H new ATOM 0 HB THR A 33 -0.957 -6.167 11.314 1.00 0.72 H new ATOM 0 HG1 THR A 33 1.509 -4.862 10.638 1.00 0.77 H new ATOM 0 HG21 THR A 33 1.087 -7.569 11.316 1.00 0.82 H new ATOM 0 HG22 THR A 33 -0.017 -8.012 9.992 1.00 0.82 H new ATOM 0 HG23 THR A 33 1.436 -7.042 9.652 1.00 0.82 H new ATOM 202 N LEU A 34 -3.045 -4.656 9.527 1.00 0.60 N ATOM 203 CA LEU A 34 -4.082 -3.638 9.606 1.00 0.64 C ATOM 204 C LEU A 34 -3.916 -2.836 10.888 1.00 0.58 C ATOM 205 O LEU A 34 -4.118 -1.622 10.934 1.00 0.59 O ATOM 206 CB LEU A 34 -5.468 -4.287 9.563 1.00 0.86 C ATOM 207 CG LEU A 34 -6.643 -3.299 9.473 1.00 1.02 C ATOM 208 CD1 LEU A 34 -6.711 -2.683 8.077 1.00 1.23 C ATOM 209 CD2 LEU A 34 -7.954 -3.974 9.820 1.00 1.46 C ATOM 0 H LEU A 34 -3.397 -5.612 9.469 1.00 0.60 H new ATOM 0 HA LEU A 34 -3.988 -2.968 8.751 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -5.512 -4.960 8.707 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.594 -4.899 10.456 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.474 -2.504 10.200 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -7.547 -1.986 8.027 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -5.783 -2.152 7.868 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -6.852 -3.472 7.338 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -8.766 -3.251 9.748 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.136 -4.794 9.126 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -7.905 -4.364 10.837 1.00 1.46 H new ATOM 221 N GLU A 35 -3.508 -3.564 11.924 1.00 0.65 N ATOM 222 CA GLU A 35 -3.364 -3.046 13.275 1.00 0.77 C ATOM 223 C GLU A 35 -2.263 -1.998 13.345 1.00 0.73 C ATOM 224 O GLU A 35 -2.273 -1.130 14.215 1.00 0.88 O ATOM 225 CB GLU A 35 -3.070 -4.200 14.257 1.00 0.94 C ATOM 226 CG GLU A 35 -1.861 -5.042 13.877 1.00 1.41 C ATOM 227 CD GLU A 35 -2.219 -6.274 13.049 1.00 1.91 C ATOM 228 OE1 GLU A 35 -2.906 -6.124 12.014 1.00 2.56 O ATOM 229 OE2 GLU A 35 -1.836 -7.398 13.436 1.00 2.34 O ATOM 0 H GLU A 35 -3.264 -4.551 11.842 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.302 -2.568 13.559 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -2.913 -3.785 15.253 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -3.946 -4.846 14.316 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -1.160 -4.426 13.314 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -1.348 -5.359 14.785 1.00 1.41 H new ATOM 236 N GLU A 36 -1.305 -2.088 12.419 1.00 0.63 N ATOM 237 CA GLU A 36 -0.161 -1.194 12.418 1.00 0.74 C ATOM 238 C GLU A 36 -0.474 0.051 11.617 1.00 0.67 C ATOM 239 O GLU A 36 0.018 1.136 11.903 1.00 0.82 O ATOM 240 CB GLU A 36 1.079 -1.908 11.850 1.00 0.85 C ATOM 241 CG GLU A 36 1.141 -2.009 10.327 1.00 0.95 C ATOM 242 CD GLU A 36 2.428 -2.659 9.862 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.475 -1.971 9.862 1.00 1.67 O ATOM 244 OE2 GLU A 36 2.393 -3.838 9.451 1.00 1.76 O ATOM 0 H GLU A 36 -1.305 -2.773 11.663 1.00 0.63 H new ATOM 0 HA GLU A 36 0.056 -0.900 13.445 1.00 0.74 H new ATOM 0 HB2 GLU A 36 1.969 -1.384 12.198 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.119 -2.915 12.265 1.00 0.85 H new ATOM 0 HG2 GLU A 36 0.290 -2.586 9.965 1.00 0.95 H new ATOM 0 HG3 GLU A 36 1.058 -1.013 9.892 1.00 0.95 H new ATOM 251 N ILE A 37 -1.296 -0.143 10.591 1.00 0.52 N ATOM 252 CA ILE A 37 -1.715 0.932 9.701 1.00 0.50 C ATOM 253 C ILE A 37 -2.650 1.878 10.427 1.00 0.53 C ATOM 254 O ILE A 37 -2.692 3.069 10.143 1.00 0.72 O ATOM 255 CB ILE A 37 -2.414 0.369 8.448 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.483 -0.615 7.731 1.00 0.51 C ATOM 257 CG2 ILE A 37 -2.828 1.498 7.509 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.157 -1.357 6.603 1.00 0.72 C ATOM 0 H ILE A 37 -1.691 -1.053 10.353 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.825 1.476 9.386 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.316 -0.160 8.757 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.624 -0.071 7.338 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.100 -1.336 8.454 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.320 1.079 6.631 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.516 2.167 8.026 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -1.944 2.056 7.199 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.444 -2.037 6.137 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -2.999 -1.927 6.995 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.515 -0.643 5.861 1.00 0.72 H new ATOM 270 N GLN A 38 -3.391 1.318 11.371 1.00 0.48 N ATOM 271 CA GLN A 38 -4.261 2.089 12.248 1.00 0.52 C ATOM 272 C GLN A 38 -3.461 3.092 13.064 1.00 0.54 C ATOM 273 O GLN A 38 -3.917 4.200 13.323 1.00 0.64 O ATOM 274 CB GLN A 38 -5.019 1.146 13.186 1.00 0.56 C ATOM 275 CG GLN A 38 -6.161 0.397 12.513 1.00 0.78 C ATOM 276 CD GLN A 38 -7.335 1.287 12.150 1.00 0.72 C ATOM 277 OE1 GLN A 38 -7.074 2.532 11.767 1.00 1.11 O flip ATOM 278 NE2 GLN A 38 -8.478 0.843 12.173 1.00 0.74 N flip ATOM 0 H GLN A 38 -3.407 0.314 11.551 1.00 0.48 H new ATOM 0 HA GLN A 38 -4.971 2.638 11.630 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.318 0.423 13.603 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.417 1.722 14.021 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -5.787 -0.085 11.610 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.507 -0.395 13.177 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -8.646 -0.118 12.472 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -9.261 1.434 11.893 1.00 0.74 H new ATOM 287 N LYS A 39 -2.272 2.673 13.470 1.00 0.54 N ATOM 288 CA LYS A 39 -1.422 3.449 14.358 1.00 0.62 C ATOM 289 C LYS A 39 -0.505 4.360 13.546 1.00 0.58 C ATOM 290 O LYS A 39 0.408 4.990 14.080 1.00 0.66 O ATOM 291 CB LYS A 39 -0.604 2.480 15.219 1.00 0.77 C ATOM 292 CG LYS A 39 -0.250 3.038 16.591 1.00 1.28 C ATOM 293 CD LYS A 39 0.226 1.955 17.541 1.00 1.57 C ATOM 294 CE LYS A 39 1.539 1.319 17.103 1.00 2.08 C ATOM 295 NZ LYS A 39 1.952 0.237 18.028 1.00 2.52 N ATOM 0 H LYS A 39 -1.868 1.779 13.190 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.032 4.081 15.003 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -1.167 1.555 15.346 1.00 0.77 H new ATOM 0 HB3 LYS A 39 0.315 2.224 14.691 1.00 0.77 H new ATOM 0 HG2 LYS A 39 0.528 3.794 16.485 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -1.122 3.535 17.016 1.00 1.28 H new ATOM 0 HD2 LYS A 39 0.348 2.380 18.537 1.00 1.57 H new ATOM 0 HD3 LYS A 39 -0.539 1.182 17.616 1.00 1.57 H new ATOM 0 HE2 LYS A 39 1.432 0.917 16.096 1.00 2.08 H new ATOM 0 HE3 LYS A 39 2.318 2.081 17.061 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 2.849 -0.175 17.702 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 2.078 0.627 18.984 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 1.219 -0.501 18.048 1.00 2.52 H new ATOM 309 N HIS A 40 -0.753 4.413 12.246 1.00 0.53 N ATOM 310 CA HIS A 40 0.036 5.220 11.329 1.00 0.56 C ATOM 311 C HIS A 40 -0.865 6.224 10.620 1.00 0.65 C ATOM 312 O HIS A 40 -0.757 6.442 9.416 1.00 0.93 O ATOM 313 CB HIS A 40 0.750 4.322 10.313 1.00 0.56 C ATOM 314 CG HIS A 40 1.904 3.554 10.892 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.217 2.267 10.516 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.843 3.912 11.804 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.294 1.864 11.164 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.694 2.848 11.954 1.00 1.80 N ATOM 0 H HIS A 40 -1.509 3.896 11.797 1.00 0.53 H new ATOM 0 HA HIS A 40 0.792 5.766 11.893 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.030 3.618 9.894 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.111 4.937 9.489 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.696 1.710 9.839 1.00 1.08 H new ATOM 0 HD2 HIS A 40 2.908 4.860 12.317 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.767 0.898 11.067 1.00 1.59 H new ATOM 327 N ASN A 41 -1.765 6.818 11.397 1.00 0.56 N ATOM 328 CA ASN A 41 -2.846 7.654 10.860 1.00 0.64 C ATOM 329 C ASN A 41 -2.619 9.128 11.190 1.00 0.82 C ATOM 330 O ASN A 41 -3.536 9.938 11.078 1.00 1.20 O ATOM 331 CB ASN A 41 -4.175 7.219 11.490 1.00 0.69 C ATOM 332 CG ASN A 41 -4.223 7.496 12.988 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.216 7.372 13.683 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.387 7.893 13.490 1.00 1.74 N ATOM 0 H ASN A 41 -1.770 6.737 12.414 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.866 7.532 9.777 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -4.996 7.743 10.999 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.326 6.154 11.315 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.467 8.107 14.484 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.200 7.984 12.881 1.00 1.74 H new ATOM 341 N HIS A 42 -1.410 9.466 11.611 1.00 0.73 N ATOM 342 CA HIS A 42 -1.168 10.752 12.276 1.00 0.97 C ATOM 343 C HIS A 42 0.178 11.370 11.882 1.00 1.06 C ATOM 344 O HIS A 42 0.753 11.041 10.861 1.00 1.54 O ATOM 345 CB HIS A 42 -1.248 10.565 13.803 1.00 1.05 C ATOM 346 CG HIS A 42 -0.377 9.465 14.346 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.938 9.293 13.972 1.00 0.81 N ATOM 348 CD2 HIS A 42 -0.645 8.479 15.242 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.441 8.248 14.620 1.00 0.87 C ATOM 350 NE2 HIS A 42 0.501 7.740 15.395 1.00 1.08 N ATOM 0 H HIS A 42 -0.583 8.878 11.509 1.00 0.73 H new ATOM 0 HA HIS A 42 -1.941 11.447 11.947 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.970 11.502 14.286 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.283 10.360 14.077 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -1.587 8.308 15.742 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.451 7.876 14.528 1.00 0.87 H new ATOM 0 HE2 HIS A 42 0.609 6.931 16.007 1.00 1.08 H new ATOM 359 N SER A 43 0.667 12.256 12.744 1.00 1.01 N ATOM 360 CA SER A 43 1.903 13.016 12.526 1.00 1.12 C ATOM 361 C SER A 43 3.092 12.134 12.124 1.00 0.97 C ATOM 362 O SER A 43 3.659 12.286 11.050 1.00 1.05 O ATOM 363 CB SER A 43 2.255 13.768 13.803 1.00 1.34 C ATOM 364 OG SER A 43 2.245 12.902 14.935 1.00 2.00 O ATOM 0 H SER A 43 0.211 12.473 13.630 1.00 1.01 H new ATOM 0 HA SER A 43 1.716 13.700 11.698 1.00 1.12 H new ATOM 0 HB2 SER A 43 3.240 14.223 13.700 1.00 1.34 H new ATOM 0 HB3 SER A 43 1.544 14.579 13.957 1.00 1.34 H new ATOM 0 HG SER A 43 2.476 13.412 15.739 1.00 2.00 H new ATOM 370 N LYS A 44 3.466 11.226 13.025 1.00 0.89 N ATOM 371 CA LYS A 44 4.675 10.405 12.884 1.00 0.89 C ATOM 372 C LYS A 44 4.586 9.333 11.794 1.00 0.77 C ATOM 373 O LYS A 44 5.497 8.508 11.673 1.00 0.94 O ATOM 374 CB LYS A 44 5.009 9.734 14.219 1.00 1.01 C ATOM 375 CG LYS A 44 5.729 10.641 15.200 1.00 1.53 C ATOM 376 CD LYS A 44 6.944 11.311 14.566 1.00 2.16 C ATOM 377 CE LYS A 44 7.923 10.299 13.983 1.00 2.63 C ATOM 378 NZ LYS A 44 9.097 10.960 13.364 1.00 3.26 N ATOM 0 H LYS A 44 2.939 11.036 13.877 1.00 0.89 H new ATOM 0 HA LYS A 44 5.463 11.093 12.579 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.086 9.380 14.677 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.628 8.857 14.029 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.040 11.405 15.562 1.00 1.53 H new ATOM 0 HG3 LYS A 44 6.045 10.061 16.067 1.00 1.53 H new ATOM 0 HD2 LYS A 44 6.613 11.988 13.779 1.00 2.16 H new ATOM 0 HD3 LYS A 44 7.454 11.917 15.315 1.00 2.16 H new ATOM 0 HE2 LYS A 44 8.259 9.624 14.770 1.00 2.63 H new ATOM 0 HE3 LYS A 44 7.414 9.690 13.236 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 9.739 10.238 12.979 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 8.779 11.585 12.596 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 9.598 11.521 14.082 1.00 3.26 H new ATOM 392 N SER A 45 3.503 9.343 11.028 1.00 0.63 N ATOM 393 CA SER A 45 3.312 8.435 9.905 1.00 0.62 C ATOM 394 C SER A 45 1.901 8.613 9.382 1.00 0.65 C ATOM 395 O SER A 45 0.954 8.545 10.165 1.00 1.05 O ATOM 396 CB SER A 45 3.550 6.970 10.291 1.00 0.65 C ATOM 397 OG SER A 45 3.446 6.118 9.166 1.00 1.31 O ATOM 0 H SER A 45 2.725 9.988 11.170 1.00 0.63 H new ATOM 0 HA SER A 45 4.045 8.679 9.135 1.00 0.62 H new ATOM 0 HB2 SER A 45 4.538 6.866 10.739 1.00 0.65 H new ATOM 0 HB3 SER A 45 2.825 6.668 11.046 1.00 0.65 H new ATOM 0 HG SER A 45 3.604 5.191 9.442 1.00 1.31 H new ATOM 403 N THR A 46 1.749 8.848 8.084 1.00 0.43 N ATOM 404 CA THR A 46 0.437 9.065 7.506 1.00 0.42 C ATOM 405 C THR A 46 0.162 8.060 6.381 1.00 0.39 C ATOM 406 O THR A 46 0.490 8.301 5.217 1.00 0.47 O ATOM 407 CB THR A 46 0.295 10.505 6.962 1.00 0.51 C ATOM 408 OG1 THR A 46 0.788 11.441 7.926 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.159 10.825 6.649 1.00 0.64 C ATOM 0 H THR A 46 2.519 8.892 7.417 1.00 0.43 H new ATOM 0 HA THR A 46 -0.295 8.919 8.300 1.00 0.42 H new ATOM 0 HB THR A 46 0.877 10.580 6.043 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.677 11.072 8.827 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.233 11.843 6.268 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.531 10.128 5.898 1.00 0.64 H new ATOM 0 HG23 THR A 46 -1.755 10.733 7.557 1.00 0.64 H new ATOM 417 N TRP A 47 -0.401 6.918 6.745 1.00 0.37 N ATOM 418 CA TRP A 47 -0.763 5.910 5.770 1.00 0.36 C ATOM 419 C TRP A 47 -2.251 5.949 5.520 1.00 0.37 C ATOM 420 O TRP A 47 -3.011 6.427 6.355 1.00 0.50 O ATOM 421 CB TRP A 47 -0.356 4.498 6.230 1.00 0.37 C ATOM 422 CG TRP A 47 1.119 4.292 6.341 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.098 5.200 6.078 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.785 3.092 6.733 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.330 4.640 6.294 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.163 3.349 6.692 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.349 1.823 7.110 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.109 2.396 7.025 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.288 0.871 7.443 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.657 1.161 7.396 1.00 0.47 C ATOM 0 H TRP A 47 -0.616 6.669 7.711 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.224 6.133 4.849 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.813 4.298 7.199 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.762 3.769 5.529 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.929 6.214 5.747 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.226 5.113 6.176 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.295 1.590 7.141 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.165 2.620 6.993 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.963 -0.114 7.745 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.370 0.393 7.658 1.00 0.47 H new ATOM 441 N LEU A 48 -2.675 5.458 4.382 1.00 0.31 N ATOM 442 CA LEU A 48 -4.097 5.333 4.108 1.00 0.31 C ATOM 443 C LEU A 48 -4.358 4.148 3.187 1.00 0.28 C ATOM 444 O LEU A 48 -3.453 3.675 2.511 1.00 0.29 O ATOM 445 CB LEU A 48 -4.696 6.641 3.533 1.00 0.37 C ATOM 446 CG LEU A 48 -4.298 7.030 2.092 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.038 8.288 1.659 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.799 7.250 1.987 1.00 0.55 C ATOM 0 H LEU A 48 -2.065 5.138 3.630 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.603 5.150 5.056 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.782 6.560 3.573 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.413 7.460 4.194 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.576 6.209 1.431 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.747 8.549 0.642 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.113 8.108 1.694 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -4.785 9.108 2.331 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.542 7.523 0.963 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.501 8.052 2.662 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.277 6.333 2.260 1.00 0.55 H new ATOM 460 N ILE A 49 -5.579 3.658 3.173 1.00 0.34 N ATOM 461 CA ILE A 49 -5.918 2.506 2.354 1.00 0.36 C ATOM 462 C ILE A 49 -6.884 2.906 1.252 1.00 0.42 C ATOM 463 O ILE A 49 -7.826 3.670 1.468 1.00 0.65 O ATOM 464 CB ILE A 49 -6.510 1.364 3.205 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.502 0.982 4.294 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.864 0.170 2.322 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.997 -0.066 5.269 1.00 0.46 C ATOM 0 H ILE A 49 -6.355 4.036 3.717 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.999 2.137 1.899 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.432 1.695 3.683 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.593 0.616 3.817 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.231 1.879 4.851 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.280 -0.627 2.938 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.599 0.474 1.576 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.966 -0.191 1.820 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.220 -0.275 6.004 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.888 0.302 5.778 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.240 -0.980 4.728 1.00 0.46 H new ATOM 479 N LEU A 50 -6.618 2.431 0.051 1.00 0.41 N ATOM 480 CA LEU A 50 -7.422 2.774 -1.097 1.00 0.53 C ATOM 481 C LEU A 50 -7.837 1.499 -1.826 1.00 0.78 C ATOM 482 O LEU A 50 -7.115 1.032 -2.717 1.00 1.77 O ATOM 483 CB LEU A 50 -6.624 3.712 -2.027 1.00 0.49 C ATOM 484 CG LEU A 50 -6.457 5.176 -1.554 1.00 0.49 C ATOM 485 CD1 LEU A 50 -7.806 5.817 -1.283 1.00 0.93 C ATOM 486 CD2 LEU A 50 -5.568 5.274 -0.333 1.00 0.99 C ATOM 0 H LEU A 50 -5.842 1.800 -0.152 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.323 3.297 -0.777 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.632 3.285 -2.172 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.112 3.722 -3.002 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.970 5.722 -2.362 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -7.660 6.845 -0.952 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -8.402 5.811 -2.196 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -8.326 5.256 -0.506 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -5.476 6.318 -0.033 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -6.006 4.699 0.483 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -4.581 4.876 -0.569 1.00 0.99 H new ATOM 498 N HIS A 51 -8.961 0.906 -1.381 1.00 0.67 N ATOM 499 CA HIS A 51 -9.523 -0.324 -1.960 1.00 0.73 C ATOM 500 C HIS A 51 -8.771 -1.557 -1.448 1.00 0.82 C ATOM 501 O HIS A 51 -9.375 -2.482 -0.935 1.00 1.80 O ATOM 502 CB HIS A 51 -9.534 -0.280 -3.502 1.00 0.79 C ATOM 503 CG HIS A 51 -10.633 0.566 -4.089 1.00 1.23 C ATOM 504 ND1 HIS A 51 -11.562 0.081 -4.989 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.941 1.869 -3.901 1.00 1.56 C ATOM 506 CE1 HIS A 51 -12.403 1.054 -5.329 1.00 2.45 C ATOM 507 NE2 HIS A 51 -12.045 2.152 -4.678 1.00 2.30 N ATOM 0 H HIS A 51 -9.508 1.273 -0.602 1.00 0.67 H new ATOM 0 HA HIS A 51 -10.561 -0.396 -1.634 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -8.573 0.100 -3.850 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.631 -1.297 -3.882 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -10.418 2.562 -3.259 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -13.232 0.965 -6.015 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -12.510 3.058 -4.741 1.00 2.30 H new ATOM 516 N HIS A 52 -7.460 -1.564 -1.597 1.00 0.46 N ATOM 517 CA HIS A 52 -6.627 -2.696 -1.172 1.00 0.42 C ATOM 518 C HIS A 52 -5.278 -2.191 -0.696 1.00 0.43 C ATOM 519 O HIS A 52 -4.735 -2.666 0.292 1.00 0.81 O ATOM 520 CB HIS A 52 -6.357 -3.639 -2.347 1.00 0.58 C ATOM 521 CG HIS A 52 -7.320 -4.776 -2.538 1.00 1.12 C ATOM 522 ND1 HIS A 52 -6.899 -6.047 -2.869 1.00 1.75 N ATOM 523 CD2 HIS A 52 -8.669 -4.832 -2.483 1.00 1.81 C ATOM 524 CE1 HIS A 52 -7.948 -6.834 -3.018 1.00 2.34 C ATOM 525 NE2 HIS A 52 -9.038 -6.121 -2.788 1.00 2.36 N ATOM 0 H HIS A 52 -6.935 -0.794 -2.013 1.00 0.46 H new ATOM 0 HA HIS A 52 -7.160 -3.218 -0.377 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.345 -3.047 -3.262 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.358 -4.057 -2.224 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -5.927 -6.334 -2.981 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -9.334 -4.015 -2.244 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -7.921 -7.881 -3.282 1.00 2.34 H new ATOM 534 N LYS A 53 -4.742 -1.228 -1.435 1.00 0.33 N ATOM 535 CA LYS A 53 -3.360 -0.811 -1.257 1.00 0.36 C ATOM 536 C LYS A 53 -3.227 0.234 -0.155 1.00 0.29 C ATOM 537 O LYS A 53 -4.056 1.135 -0.037 1.00 0.32 O ATOM 538 CB LYS A 53 -2.758 -0.266 -2.571 1.00 0.45 C ATOM 539 CG LYS A 53 -2.582 -1.304 -3.673 1.00 0.66 C ATOM 540 CD LYS A 53 -3.881 -1.631 -4.410 1.00 0.95 C ATOM 541 CE LYS A 53 -4.040 -0.812 -5.681 1.00 1.25 C ATOM 542 NZ LYS A 53 -4.277 0.632 -5.417 1.00 1.76 N ATOM 0 H LYS A 53 -5.245 -0.722 -2.164 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.801 -1.699 -0.961 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.399 0.533 -2.943 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.787 0.179 -2.352 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -1.847 -0.940 -4.391 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -2.178 -2.219 -3.239 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -3.899 -2.692 -4.659 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -4.728 -1.444 -3.750 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -3.144 -0.922 -6.292 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -4.872 -1.211 -6.262 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -4.545 1.107 -6.302 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -5.044 0.737 -4.722 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -3.408 1.063 -5.041 1.00 1.76 H new ATOM 556 N VAL A 54 -2.177 0.106 0.637 1.00 0.27 N ATOM 557 CA VAL A 54 -1.852 1.093 1.645 1.00 0.25 C ATOM 558 C VAL A 54 -0.868 2.107 1.041 1.00 0.23 C ATOM 559 O VAL A 54 0.008 1.741 0.239 1.00 0.25 O ATOM 560 CB VAL A 54 -1.247 0.422 2.900 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.033 -0.323 2.559 1.00 0.30 C ATOM 562 CG2 VAL A 54 -1.010 1.442 4.005 1.00 0.32 C ATOM 0 H VAL A 54 -1.530 -0.682 0.598 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.761 1.606 1.958 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.968 -0.308 3.269 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.436 -0.785 3.460 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -0.181 -1.095 1.820 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.763 0.376 2.152 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.584 0.943 4.876 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.319 2.207 3.652 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.957 1.907 4.280 1.00 0.32 H new ATOM 572 N TYR A 55 -1.029 3.375 1.367 1.00 0.23 N ATOM 573 CA TYR A 55 -0.151 4.409 0.825 1.00 0.25 C ATOM 574 C TYR A 55 0.493 5.178 1.962 1.00 0.27 C ATOM 575 O TYR A 55 0.085 5.031 3.114 1.00 0.35 O ATOM 576 CB TYR A 55 -0.903 5.410 -0.073 1.00 0.27 C ATOM 577 CG TYR A 55 -1.640 4.817 -1.257 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.600 3.823 -1.093 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.400 5.276 -2.539 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.284 3.298 -2.164 1.00 0.77 C ATOM 581 CE2 TYR A 55 -2.089 4.763 -3.615 1.00 0.85 C ATOM 582 CZ TYR A 55 -3.030 3.772 -3.425 1.00 0.42 C ATOM 583 OH TYR A 55 -3.731 3.262 -4.499 1.00 0.49 O ATOM 0 H TYR A 55 -1.752 3.718 1.999 1.00 0.23 H new ATOM 0 HA TYR A 55 0.599 3.902 0.218 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.621 5.951 0.543 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.187 6.142 -0.446 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.813 3.455 -0.100 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.662 6.048 -2.699 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -4.016 2.518 -2.013 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.893 5.137 -4.609 1.00 0.85 H new ATOM 0 HH TYR A 55 -3.435 3.703 -5.322 1.00 0.49 H new ATOM 593 N ASP A 56 1.471 6.003 1.629 1.00 0.34 N ATOM 594 CA ASP A 56 2.042 6.948 2.598 1.00 0.38 C ATOM 595 C ASP A 56 2.100 8.349 1.982 1.00 0.38 C ATOM 596 O ASP A 56 2.270 8.479 0.771 1.00 0.48 O ATOM 597 CB ASP A 56 3.447 6.499 3.055 1.00 0.47 C ATOM 598 CG ASP A 56 4.115 7.482 4.011 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.720 8.465 3.535 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.034 7.275 5.246 1.00 1.32 O ATOM 0 H ASP A 56 1.891 6.045 0.700 1.00 0.34 H new ATOM 0 HA ASP A 56 1.399 6.970 3.478 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.369 5.526 3.541 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.082 6.368 2.179 1.00 0.47 H new ATOM 605 N LEU A 57 1.915 9.396 2.779 1.00 0.37 N ATOM 606 CA LEU A 57 2.096 10.753 2.252 1.00 0.39 C ATOM 607 C LEU A 57 3.298 11.432 2.892 1.00 0.51 C ATOM 608 O LEU A 57 4.214 11.856 2.187 1.00 1.12 O ATOM 609 CB LEU A 57 0.860 11.654 2.442 1.00 0.45 C ATOM 610 CG LEU A 57 -0.475 11.117 1.909 1.00 0.53 C ATOM 611 CD1 LEU A 57 -0.320 10.548 0.508 1.00 1.35 C ATOM 612 CD2 LEU A 57 -1.066 10.089 2.869 1.00 1.27 C ATOM 0 H LEU A 57 1.648 9.342 3.762 1.00 0.37 H new ATOM 0 HA LEU A 57 2.257 10.628 1.181 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.745 11.853 3.507 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.059 12.610 1.959 1.00 0.45 H new ATOM 0 HG LEU A 57 -1.173 11.951 1.843 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -1.283 10.176 0.158 1.00 1.35 H new ATOM 0 HD12 LEU A 57 0.033 11.329 -0.165 1.00 1.35 H new ATOM 0 HD13 LEU A 57 0.401 9.731 0.525 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -2.012 9.722 2.471 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.372 9.256 2.982 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -1.237 10.554 3.840 1.00 1.27 H new ATOM 624 N THR A 58 3.260 11.500 4.235 1.00 0.54 N ATOM 625 CA THR A 58 4.272 12.163 5.075 1.00 0.56 C ATOM 626 C THR A 58 4.672 13.558 4.588 1.00 0.66 C ATOM 627 O THR A 58 4.259 14.567 5.157 1.00 1.15 O ATOM 628 CB THR A 58 5.547 11.300 5.266 1.00 0.65 C ATOM 629 OG1 THR A 58 5.995 10.762 4.017 1.00 1.43 O ATOM 630 CG2 THR A 58 5.287 10.173 6.251 1.00 1.12 C ATOM 0 H THR A 58 2.504 11.084 4.780 1.00 0.54 H new ATOM 0 HA THR A 58 3.774 12.283 6.037 1.00 0.56 H new ATOM 0 HB THR A 58 6.329 11.946 5.665 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.821 9.798 3.995 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.193 9.579 6.372 1.00 1.12 H new ATOM 0 HG22 THR A 58 4.997 10.592 7.215 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.485 9.539 5.874 1.00 1.12 H new ATOM 638 N LYS A 59 5.474 13.595 3.546 1.00 0.57 N ATOM 639 CA LYS A 59 5.957 14.841 2.968 1.00 0.58 C ATOM 640 C LYS A 59 4.840 15.506 2.176 1.00 0.48 C ATOM 641 O LYS A 59 4.651 16.717 2.232 1.00 0.54 O ATOM 642 CB LYS A 59 7.173 14.542 2.086 1.00 0.69 C ATOM 643 CG LYS A 59 8.246 13.763 2.822 1.00 1.37 C ATOM 644 CD LYS A 59 9.316 13.238 1.885 1.00 1.96 C ATOM 645 CE LYS A 59 10.332 12.382 2.628 1.00 2.58 C ATOM 646 NZ LYS A 59 9.690 11.251 3.358 1.00 3.59 N ATOM 0 H LYS A 59 5.814 12.760 3.070 1.00 0.57 H new ATOM 0 HA LYS A 59 6.262 15.532 3.754 1.00 0.58 H new ATOM 0 HB2 LYS A 59 6.853 13.976 1.211 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.594 15.480 1.723 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.706 14.404 3.574 1.00 1.37 H new ATOM 0 HG3 LYS A 59 7.788 12.928 3.352 1.00 1.37 H new ATOM 0 HD2 LYS A 59 8.852 12.650 1.093 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.824 14.074 1.405 1.00 1.96 H new ATOM 0 HE2 LYS A 59 11.060 11.988 1.919 1.00 2.58 H new ATOM 0 HE3 LYS A 59 10.880 13.004 3.335 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 10.416 10.559 3.633 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 9.216 11.612 4.210 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 8.990 10.792 2.741 1.00 3.59 H new ATOM 660 N PHE A 60 4.071 14.650 1.487 1.00 0.40 N ATOM 661 CA PHE A 60 3.095 15.076 0.480 1.00 0.35 C ATOM 662 C PHE A 60 2.004 15.958 1.084 1.00 0.36 C ATOM 663 O PHE A 60 1.318 16.690 0.379 1.00 0.40 O ATOM 664 CB PHE A 60 2.480 13.845 -0.199 1.00 0.37 C ATOM 665 CG PHE A 60 1.800 14.145 -1.509 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.487 14.754 -2.545 1.00 1.62 C ATOM 667 CD2 PHE A 60 0.490 13.743 -1.720 1.00 1.40 C ATOM 668 CE1 PHE A 60 1.858 15.031 -3.745 1.00 2.01 C ATOM 669 CE2 PHE A 60 -0.146 14.010 -2.913 1.00 1.72 C ATOM 670 CZ PHE A 60 0.540 14.773 -3.905 1.00 1.72 C ATOM 0 H PHE A 60 4.111 13.639 1.615 1.00 0.40 H new ATOM 0 HA PHE A 60 3.618 15.676 -0.265 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.264 13.107 -0.369 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.757 13.392 0.479 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.527 15.016 -2.415 1.00 1.62 H new ATOM 0 HD2 PHE A 60 -0.038 13.214 -0.940 1.00 1.40 H new ATOM 0 HE1 PHE A 60 2.424 15.457 -4.561 1.00 2.01 H new ATOM 0 HE2 PHE A 60 -1.147 13.648 -3.094 1.00 1.72 H new ATOM 0 HZ PHE A 60 0.013 15.140 -4.773 1.00 1.72 H new ATOM 680 N LEU A 61 1.881 15.845 2.416 1.00 0.38 N ATOM 681 CA LEU A 61 0.806 16.443 3.229 1.00 0.44 C ATOM 682 C LEU A 61 0.720 17.954 3.077 1.00 0.47 C ATOM 683 O LEU A 61 -0.320 18.547 3.353 1.00 0.60 O ATOM 684 CB LEU A 61 1.051 16.113 4.706 1.00 0.50 C ATOM 685 CG LEU A 61 1.040 14.625 5.067 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.370 14.445 6.536 1.00 0.72 C ATOM 687 CD2 LEU A 61 -0.312 14.003 4.746 1.00 0.61 C ATOM 0 H LEU A 61 2.549 15.317 2.977 1.00 0.38 H new ATOM 0 HA LEU A 61 -0.135 16.022 2.876 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.015 16.531 4.997 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.291 16.618 5.302 1.00 0.50 H new ATOM 0 HG LEU A 61 1.798 14.117 4.470 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.360 13.384 6.784 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.359 14.856 6.740 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.629 14.966 7.142 1.00 0.72 H new ATOM 0 HD21 LEU A 61 -0.298 12.946 5.010 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -1.090 14.509 5.317 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.517 14.108 3.681 1.00 0.61 H new ATOM 699 N GLU A 62 1.833 18.561 2.682 1.00 0.46 N ATOM 700 CA GLU A 62 1.939 20.011 2.594 1.00 0.55 C ATOM 701 C GLU A 62 2.048 20.463 1.141 1.00 0.53 C ATOM 702 O GLU A 62 2.198 21.648 0.850 1.00 0.72 O ATOM 703 CB GLU A 62 3.163 20.477 3.394 1.00 0.68 C ATOM 704 CG GLU A 62 4.456 19.777 2.988 1.00 0.99 C ATOM 705 CD GLU A 62 5.614 20.129 3.894 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.742 19.514 4.973 1.00 1.62 O ATOM 707 OE2 GLU A 62 6.404 21.028 3.529 1.00 1.60 O ATOM 0 H GLU A 62 2.683 18.064 2.415 1.00 0.46 H new ATOM 0 HA GLU A 62 1.038 20.459 3.014 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.285 21.552 3.264 1.00 0.68 H new ATOM 0 HB3 GLU A 62 2.982 20.303 4.455 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.302 18.698 3.004 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.706 20.048 1.962 1.00 0.99 H new ATOM 714 N GLU A 63 1.979 19.494 0.231 1.00 0.42 N ATOM 715 CA GLU A 63 2.144 19.741 -1.201 1.00 0.48 C ATOM 716 C GLU A 63 0.850 19.453 -1.950 1.00 0.46 C ATOM 717 O GLU A 63 0.623 19.951 -3.056 1.00 0.66 O ATOM 718 CB GLU A 63 3.246 18.847 -1.761 1.00 0.59 C ATOM 719 CG GLU A 63 4.594 19.015 -1.071 1.00 1.05 C ATOM 720 CD GLU A 63 5.661 18.084 -1.618 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.732 16.919 -1.161 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.424 18.509 -2.513 1.00 1.83 O ATOM 0 H GLU A 63 1.807 18.516 0.464 1.00 0.42 H new ATOM 0 HA GLU A 63 2.411 20.789 -1.334 1.00 0.48 H new ATOM 0 HB2 GLU A 63 2.933 17.806 -1.676 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.365 19.058 -2.824 1.00 0.59 H new ATOM 0 HG2 GLU A 63 4.927 20.047 -1.184 1.00 1.05 H new ATOM 0 HG3 GLU A 63 4.474 18.834 -0.003 1.00 1.05 H new ATOM 729 N HIS A 64 0.022 18.612 -1.339 1.00 0.33 N ATOM 730 CA HIS A 64 -1.249 18.198 -1.915 1.00 0.32 C ATOM 731 C HIS A 64 -2.260 19.346 -1.835 1.00 0.42 C ATOM 732 O HIS A 64 -2.441 19.923 -0.762 1.00 0.52 O ATOM 733 CB HIS A 64 -1.743 16.943 -1.182 1.00 0.38 C ATOM 734 CG HIS A 64 -3.055 16.293 -1.594 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.230 16.411 -0.873 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.318 15.468 -2.672 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.179 15.681 -1.493 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.664 15.104 -2.581 1.00 0.36 N ATOM 0 H HIS A 64 0.216 18.198 -0.427 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.125 17.952 -2.970 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.963 16.186 -1.271 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.823 17.195 -0.124 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -4.356 16.956 -0.020 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.618 15.164 -3.436 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.201 15.579 -1.160 1.00 0.43 H new ATOM 746 N PRO A 65 -2.905 19.677 -2.988 1.00 0.51 N ATOM 747 CA PRO A 65 -3.796 20.835 -3.197 1.00 0.73 C ATOM 748 C PRO A 65 -4.496 21.384 -1.954 1.00 0.90 C ATOM 749 O PRO A 65 -4.360 22.566 -1.626 1.00 1.46 O ATOM 750 CB PRO A 65 -4.820 20.255 -4.171 1.00 0.96 C ATOM 751 CG PRO A 65 -4.057 19.278 -5.002 1.00 0.81 C ATOM 752 CD PRO A 65 -2.807 18.900 -4.228 1.00 0.55 C ATOM 0 HA PRO A 65 -3.231 21.702 -3.539 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.637 19.767 -3.640 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -5.263 21.036 -4.789 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.662 18.395 -5.208 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -3.794 19.716 -5.965 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.772 17.829 -4.026 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.903 19.149 -4.784 1.00 0.55 H new ATOM 760 N GLY A 66 -5.254 20.528 -1.282 1.00 1.08 N ATOM 761 CA GLY A 66 -6.108 20.967 -0.190 1.00 1.38 C ATOM 762 C GLY A 66 -5.404 21.089 1.147 1.00 1.38 C ATOM 763 O GLY A 66 -4.182 20.971 1.238 1.00 2.03 O ATOM 0 H GLY A 66 -5.294 19.527 -1.475 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.540 21.934 -0.449 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.936 20.265 -0.088 1.00 1.38 H new ATOM 767 N GLY A 67 -6.206 21.297 2.184 1.00 1.25 N ATOM 768 CA GLY A 67 -5.685 21.568 3.507 1.00 1.70 C ATOM 769 C GLY A 67 -5.154 20.336 4.193 1.00 1.24 C ATOM 770 O GLY A 67 -5.459 19.218 3.796 1.00 1.66 O ATOM 0 H GLY A 67 -7.224 21.282 2.128 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -4.888 22.308 3.433 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -6.473 22.007 4.119 1.00 1.70 H new ATOM 774 N GLU A 68 -4.419 20.565 5.252 1.00 1.38 N ATOM 775 CA GLU A 68 -3.719 19.517 5.980 1.00 1.18 C ATOM 776 C GLU A 68 -4.685 18.692 6.839 1.00 0.94 C ATOM 777 O GLU A 68 -4.505 17.492 7.076 1.00 0.98 O ATOM 778 CB GLU A 68 -2.682 20.194 6.875 1.00 1.50 C ATOM 779 CG GLU A 68 -1.668 19.283 7.540 1.00 1.48 C ATOM 780 CD GLU A 68 -0.731 20.083 8.408 1.00 2.09 C ATOM 781 OE1 GLU A 68 0.021 20.917 7.854 1.00 2.88 O ATOM 782 OE2 GLU A 68 -0.771 19.920 9.647 1.00 2.25 O ATOM 0 H GLU A 68 -4.283 21.496 5.645 1.00 1.38 H new ATOM 0 HA GLU A 68 -3.247 18.834 5.274 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.142 20.928 6.277 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.210 20.744 7.654 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.183 18.535 8.143 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -1.100 18.745 6.781 1.00 1.48 H new ATOM 789 N GLU A 69 -5.730 19.376 7.277 1.00 0.91 N ATOM 790 CA GLU A 69 -6.571 18.937 8.390 1.00 0.84 C ATOM 791 C GLU A 69 -7.489 17.772 8.048 1.00 0.75 C ATOM 792 O GLU A 69 -7.568 16.799 8.794 1.00 0.78 O ATOM 793 CB GLU A 69 -7.393 20.130 8.864 1.00 0.97 C ATOM 794 CG GLU A 69 -8.153 20.831 7.741 1.00 1.64 C ATOM 795 CD GLU A 69 -8.658 22.204 8.139 1.00 1.97 C ATOM 796 OE1 GLU A 69 -7.851 23.156 8.130 1.00 2.63 O ATOM 797 OE2 GLU A 69 -9.853 22.327 8.466 1.00 2.27 O ATOM 0 H GLU A 69 -6.025 20.263 6.868 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.911 18.568 9.175 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -8.104 19.794 9.619 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.731 20.848 9.347 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -7.501 20.927 6.872 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -8.998 20.212 7.439 1.00 1.64 H new ATOM 804 N VAL A 70 -8.193 17.873 6.934 1.00 0.79 N ATOM 805 CA VAL A 70 -9.285 16.937 6.648 1.00 0.86 C ATOM 806 C VAL A 70 -8.803 15.726 5.886 1.00 0.82 C ATOM 807 O VAL A 70 -9.582 14.808 5.619 1.00 1.01 O ATOM 808 CB VAL A 70 -10.437 17.594 5.862 1.00 1.09 C ATOM 809 CG1 VAL A 70 -11.210 18.584 6.723 1.00 1.96 C ATOM 810 CG2 VAL A 70 -9.905 18.263 4.601 1.00 1.41 C ATOM 0 H VAL A 70 -8.037 18.581 6.216 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.661 16.625 7.622 1.00 0.86 H new ATOM 0 HB VAL A 70 -11.134 16.809 5.569 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -12.014 19.027 6.135 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -11.633 18.065 7.583 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -10.537 19.369 7.068 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -10.730 18.722 4.057 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -9.179 19.029 4.874 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -9.424 17.517 3.968 1.00 1.41 H new ATOM 820 N LEU A 71 -7.530 15.722 5.519 1.00 0.72 N ATOM 821 CA LEU A 71 -6.927 14.541 4.933 1.00 0.74 C ATOM 822 C LEU A 71 -6.692 13.535 6.051 1.00 0.70 C ATOM 823 O LEU A 71 -6.795 12.321 5.856 1.00 0.77 O ATOM 824 CB LEU A 71 -5.587 14.909 4.276 1.00 0.84 C ATOM 825 CG LEU A 71 -5.671 16.036 3.243 1.00 1.10 C ATOM 826 CD1 LEU A 71 -4.302 16.321 2.633 1.00 1.62 C ATOM 827 CD2 LEU A 71 -6.673 15.679 2.160 1.00 1.69 C ATOM 0 H LEU A 71 -6.901 16.519 5.617 1.00 0.72 H new ATOM 0 HA LEU A 71 -7.581 14.119 4.170 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.883 15.200 5.056 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -5.178 14.021 3.793 1.00 0.84 H new ATOM 0 HG LEU A 71 -6.008 16.941 3.749 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -4.389 17.125 1.903 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -3.608 16.619 3.419 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -3.929 15.423 2.141 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -6.724 16.488 1.431 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -6.359 14.761 1.662 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -7.656 15.531 2.608 1.00 1.69 H new ATOM 839 N ARG A 72 -6.457 14.090 7.226 1.00 0.70 N ATOM 840 CA ARG A 72 -5.995 13.364 8.406 1.00 0.78 C ATOM 841 C ARG A 72 -6.941 12.233 8.815 1.00 0.92 C ATOM 842 O ARG A 72 -6.514 11.137 9.163 1.00 1.03 O ATOM 843 CB ARG A 72 -5.850 14.388 9.523 1.00 0.77 C ATOM 844 CG ARG A 72 -5.083 13.910 10.741 1.00 1.42 C ATOM 845 CD ARG A 72 -4.625 15.111 11.538 1.00 1.49 C ATOM 846 NE ARG A 72 -3.795 15.990 10.715 1.00 2.11 N ATOM 847 CZ ARG A 72 -3.201 17.094 11.156 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.362 17.481 12.415 1.00 2.24 N ATOM 849 NH2 ARG A 72 -2.454 17.809 10.325 1.00 3.47 N ATOM 0 H ARG A 72 -6.585 15.088 7.396 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.045 12.877 8.187 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -5.351 15.271 9.123 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -6.845 14.700 9.840 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -5.715 13.269 11.356 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.225 13.312 10.435 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -5.491 15.661 11.907 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -4.061 14.781 12.410 1.00 1.49 H new ATOM 0 HE ARG A 72 -3.663 15.738 9.735 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -3.943 16.931 13.047 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -2.905 18.329 12.750 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -2.339 17.510 9.357 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -1.994 18.658 10.654 1.00 3.47 H new ATOM 863 N GLU A 73 -8.237 12.541 8.747 1.00 1.13 N ATOM 864 CA GLU A 73 -9.318 11.654 9.219 1.00 1.55 C ATOM 865 C GLU A 73 -9.419 10.407 8.362 1.00 1.28 C ATOM 866 O GLU A 73 -9.852 9.350 8.818 1.00 1.60 O ATOM 867 CB GLU A 73 -10.639 12.422 9.139 1.00 1.97 C ATOM 868 CG GLU A 73 -11.825 11.695 9.736 1.00 2.63 C ATOM 869 CD GLU A 73 -11.858 11.780 11.247 1.00 3.18 C ATOM 870 OE1 GLU A 73 -11.148 10.990 11.902 1.00 3.65 O ATOM 871 OE2 GLU A 73 -12.594 12.630 11.795 1.00 3.55 O ATOM 0 H GLU A 73 -8.576 13.421 8.360 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.102 11.348 10.243 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.520 13.378 9.649 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.853 12.643 8.093 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.746 12.116 9.332 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -11.794 10.648 9.435 1.00 2.63 H new ATOM 878 N GLN A 74 -9.026 10.563 7.106 1.00 0.77 N ATOM 879 CA GLN A 74 -9.201 9.541 6.087 1.00 0.62 C ATOM 880 C GLN A 74 -8.000 8.616 6.070 1.00 0.56 C ATOM 881 O GLN A 74 -7.977 7.611 5.359 1.00 0.64 O ATOM 882 CB GLN A 74 -9.369 10.219 4.725 1.00 0.63 C ATOM 883 CG GLN A 74 -10.505 11.243 4.661 1.00 0.76 C ATOM 884 CD GLN A 74 -11.876 10.650 4.958 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.747 11.338 5.493 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.078 9.387 4.586 1.00 1.68 N ATOM 0 H GLN A 74 -8.573 11.410 6.764 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.089 8.949 6.308 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.435 10.715 4.463 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.545 9.452 3.971 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.302 12.043 5.373 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.521 11.695 3.669 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -11.325 8.858 4.146 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -12.986 8.949 4.741 1.00 1.68 H new ATOM 895 N ALA A 75 -6.998 8.972 6.871 1.00 0.55 N ATOM 896 CA ALA A 75 -5.772 8.206 6.967 1.00 0.58 C ATOM 897 C ALA A 75 -5.872 7.167 8.074 1.00 0.52 C ATOM 898 O ALA A 75 -6.513 7.402 9.093 1.00 0.70 O ATOM 899 CB ALA A 75 -4.583 9.113 7.212 1.00 0.70 C ATOM 0 H ALA A 75 -7.020 9.799 7.468 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.625 7.693 6.017 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.676 8.513 7.280 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.489 9.821 6.388 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.728 9.659 8.144 1.00 0.70 H new ATOM 905 N GLY A 76 -5.230 6.034 7.863 1.00 0.49 N ATOM 906 CA GLY A 76 -5.319 4.922 8.801 1.00 0.58 C ATOM 907 C GLY A 76 -6.135 3.788 8.231 1.00 0.48 C ATOM 908 O GLY A 76 -5.873 2.625 8.515 1.00 0.72 O ATOM 0 H GLY A 76 -4.640 5.855 7.051 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.317 4.566 9.043 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -5.769 5.264 9.733 1.00 0.58 H new ATOM 912 N GLY A 77 -7.130 4.136 7.427 1.00 0.42 N ATOM 913 CA GLY A 77 -7.980 3.137 6.785 1.00 0.52 C ATOM 914 C GLY A 77 -8.355 3.563 5.390 1.00 0.44 C ATOM 915 O GLY A 77 -7.635 4.345 4.780 1.00 0.78 O ATOM 0 H GLY A 77 -7.370 5.102 7.202 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.459 2.180 6.749 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.882 2.987 7.378 1.00 0.52 H new ATOM 919 N ASP A 78 -9.480 3.067 4.875 1.00 0.55 N ATOM 920 CA ASP A 78 -9.898 3.443 3.529 1.00 0.72 C ATOM 921 C ASP A 78 -10.255 4.922 3.438 1.00 0.67 C ATOM 922 O ASP A 78 -11.156 5.401 4.127 1.00 1.04 O ATOM 923 CB ASP A 78 -11.061 2.593 3.008 1.00 1.14 C ATOM 924 CG ASP A 78 -10.636 1.234 2.507 1.00 1.82 C ATOM 925 OD1 ASP A 78 -10.522 0.304 3.341 1.00 2.59 O ATOM 926 OD2 ASP A 78 -10.379 1.100 1.293 1.00 2.28 O ATOM 0 H ASP A 78 -10.104 2.420 5.357 1.00 0.55 H new ATOM 0 HA ASP A 78 -9.035 3.251 2.891 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -11.793 2.465 3.806 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.560 3.129 2.201 1.00 1.14 H new ATOM 931 N ALA A 79 -9.553 5.648 2.580 1.00 0.54 N ATOM 932 CA ALA A 79 -9.882 7.034 2.298 1.00 0.58 C ATOM 933 C ALA A 79 -10.683 7.121 1.014 1.00 0.56 C ATOM 934 O ALA A 79 -10.990 8.209 0.511 1.00 0.67 O ATOM 935 CB ALA A 79 -8.620 7.874 2.190 1.00 0.73 C ATOM 0 H ALA A 79 -8.747 5.295 2.065 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.482 7.425 3.120 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -8.889 8.909 1.978 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.070 7.827 3.130 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -7.995 7.489 1.384 1.00 0.73 H new ATOM 941 N THR A 80 -11.043 5.963 0.499 1.00 0.54 N ATOM 942 CA THR A 80 -11.654 5.858 -0.809 1.00 0.60 C ATOM 943 C THR A 80 -13.090 6.396 -0.819 1.00 0.65 C ATOM 944 O THR A 80 -13.709 6.508 -1.882 1.00 0.84 O ATOM 945 CB THR A 80 -11.608 4.395 -1.301 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.714 4.366 -2.730 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.733 3.576 -0.690 1.00 0.70 C ATOM 0 H THR A 80 -10.920 5.069 0.975 1.00 0.54 H new ATOM 0 HA THR A 80 -11.079 6.480 -1.495 1.00 0.60 H new ATOM 0 HB THR A 80 -10.659 3.958 -0.990 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.574 3.972 -2.986 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.676 2.550 -1.054 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.639 3.581 0.396 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.693 4.008 -0.973 1.00 0.70 H new ATOM 955 N GLU A 81 -13.601 6.757 0.357 1.00 0.65 N ATOM 956 CA GLU A 81 -14.901 7.415 0.462 1.00 0.79 C ATOM 957 C GLU A 81 -14.947 8.628 -0.466 1.00 0.85 C ATOM 958 O GLU A 81 -15.948 8.910 -1.123 1.00 0.98 O ATOM 959 CB GLU A 81 -15.146 7.858 1.907 1.00 0.91 C ATOM 960 CG GLU A 81 -15.078 6.708 2.898 1.00 1.54 C ATOM 961 CD GLU A 81 -15.187 7.164 4.334 1.00 1.82 C ATOM 962 OE1 GLU A 81 -14.235 7.800 4.832 1.00 2.27 O ATOM 963 OE2 GLU A 81 -16.229 6.903 4.960 1.00 2.27 O ATOM 0 H GLU A 81 -13.134 6.604 1.251 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.679 6.711 0.168 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -14.407 8.611 2.181 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -16.125 8.332 1.975 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -15.881 6.002 2.684 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -14.138 6.173 2.762 1.00 1.54 H new ATOM 970 N ASN A 82 -13.825 9.340 -0.502 1.00 0.82 N ATOM 971 CA ASN A 82 -13.706 10.556 -1.260 1.00 0.90 C ATOM 972 C ASN A 82 -13.398 10.245 -2.715 1.00 0.94 C ATOM 973 O ASN A 82 -13.729 11.012 -3.603 1.00 1.09 O ATOM 974 CB ASN A 82 -12.599 11.426 -0.658 1.00 0.93 C ATOM 975 CG ASN A 82 -12.390 12.721 -1.423 1.00 1.70 C ATOM 976 OD1 ASN A 82 -13.041 13.726 -1.145 1.00 2.41 O ATOM 977 ND2 ASN A 82 -11.461 12.719 -2.372 1.00 2.40 N ATOM 0 H ASN A 82 -12.976 9.079 -0.000 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.651 11.097 -1.218 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -12.847 11.657 0.378 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -11.666 10.862 -0.645 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -11.268 13.571 -2.898 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -10.941 11.865 -2.575 1.00 2.40 H new ATOM 984 N PHE A 83 -12.758 9.093 -2.933 1.00 0.85 N ATOM 985 CA PHE A 83 -12.204 8.737 -4.234 1.00 0.89 C ATOM 986 C PHE A 83 -13.294 8.240 -5.184 1.00 1.02 C ATOM 987 O PHE A 83 -13.203 8.410 -6.396 1.00 1.17 O ATOM 988 CB PHE A 83 -11.127 7.669 -4.069 1.00 0.81 C ATOM 989 CG PHE A 83 -10.360 7.385 -5.333 1.00 0.86 C ATOM 990 CD1 PHE A 83 -9.372 8.245 -5.770 1.00 0.97 C ATOM 991 CD2 PHE A 83 -10.594 6.230 -6.057 1.00 1.20 C ATOM 992 CE1 PHE A 83 -8.677 7.995 -6.934 1.00 1.06 C ATOM 993 CE2 PHE A 83 -9.897 5.973 -7.224 1.00 1.33 C ATOM 994 CZ PHE A 83 -8.974 6.882 -7.690 1.00 1.13 C ATOM 0 H PHE A 83 -12.612 8.386 -2.213 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.760 9.633 -4.669 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.429 7.986 -3.294 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.592 6.747 -3.721 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -9.140 9.127 -5.191 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -11.329 5.521 -5.707 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -7.899 8.672 -7.254 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -10.077 5.059 -7.770 1.00 1.33 H new ATOM 0 HZ PHE A 83 -8.487 6.724 -8.641 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.298 7.586 -4.596 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.470 7.095 -5.314 1.00 1.14 C ATOM 1006 C GLU A 84 -16.331 8.255 -5.831 1.00 1.24 C ATOM 1007 O GLU A 84 -17.124 8.098 -6.764 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.281 6.228 -4.358 1.00 1.20 C ATOM 1009 CG GLU A 84 -16.116 4.732 -4.571 1.00 1.33 C ATOM 1010 CD GLU A 84 -14.669 4.264 -4.674 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -14.065 3.952 -3.630 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -14.113 4.241 -5.786 1.00 2.19 O ATOM 0 H GLU A 84 -14.318 7.382 -3.597 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.149 6.516 -6.180 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -15.994 6.471 -3.335 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.336 6.483 -4.462 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -16.597 4.205 -3.747 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.642 4.447 -5.482 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.168 9.402 -5.170 1.00 1.18 N ATOM 1020 CA ASP A 85 -16.920 10.623 -5.473 1.00 1.34 C ATOM 1021 C ASP A 85 -16.078 11.586 -6.316 1.00 1.45 C ATOM 1022 O ASP A 85 -16.445 11.950 -7.433 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.319 11.302 -4.160 1.00 1.35 C ATOM 1024 CG ASP A 85 -18.164 12.532 -4.400 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -19.259 12.405 -4.987 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -17.735 13.634 -4.005 1.00 1.81 O ATOM 0 H ASP A 85 -15.505 9.512 -4.403 1.00 1.18 H new ATOM 0 HA ASP A 85 -17.810 10.358 -6.043 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.871 10.597 -3.539 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.422 11.579 -3.607 1.00 1.35 H new ATOM 1031 N VAL A 86 -14.934 11.984 -5.771 1.00 1.34 N ATOM 1032 CA VAL A 86 -14.017 12.869 -6.458 1.00 1.50 C ATOM 1033 C VAL A 86 -13.019 12.057 -7.264 1.00 1.26 C ATOM 1034 O VAL A 86 -11.958 11.676 -6.769 1.00 1.87 O ATOM 1035 CB VAL A 86 -13.259 13.776 -5.463 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -12.368 14.756 -6.212 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -14.232 14.510 -4.557 1.00 2.64 C ATOM 0 H VAL A 86 -14.622 11.700 -4.842 1.00 1.34 H new ATOM 0 HA VAL A 86 -14.601 13.503 -7.125 1.00 1.50 H new ATOM 0 HB VAL A 86 -12.625 13.149 -4.836 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -11.841 15.388 -5.497 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -11.644 14.204 -6.812 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -12.980 15.379 -6.864 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -13.677 15.143 -3.864 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -14.896 15.128 -5.161 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -14.822 13.786 -3.994 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.388 11.766 -8.500 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.523 11.003 -9.371 1.00 1.82 C ATOM 1049 C GLY A 87 -11.325 11.813 -9.797 1.00 1.46 C ATOM 1050 O GLY A 87 -11.457 12.791 -10.548 1.00 2.23 O ATOM 0 H GLY A 87 -14.276 12.046 -8.917 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.191 10.100 -8.858 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.080 10.683 -10.251 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.170 11.430 -9.270 1.00 1.05 N ATOM 1055 CA HIS A 88 -8.914 12.079 -9.595 1.00 0.81 C ATOM 1056 C HIS A 88 -8.667 12.062 -11.109 1.00 0.89 C ATOM 1057 O HIS A 88 -8.924 11.060 -11.780 1.00 1.32 O ATOM 1058 CB HIS A 88 -7.760 11.386 -8.846 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.617 11.789 -7.402 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.447 11.354 -6.370 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -6.684 12.595 -6.813 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.997 11.896 -5.218 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.950 12.642 -5.460 1.00 0.48 N ATOM 0 H HIS A 88 -10.081 10.661 -8.606 1.00 1.05 H new ATOM 0 HA HIS A 88 -8.965 13.121 -9.278 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -7.909 10.307 -8.895 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -6.826 11.603 -9.364 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -9.252 10.735 -6.468 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -5.878 13.106 -7.319 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -8.435 11.738 -4.244 1.00 0.98 H new ATOM 1071 N SER A 89 -8.176 13.164 -11.645 1.00 0.81 N ATOM 1072 CA SER A 89 -7.907 13.260 -13.066 1.00 1.00 C ATOM 1073 C SER A 89 -6.673 12.442 -13.459 1.00 1.00 C ATOM 1074 O SER A 89 -5.945 11.944 -12.590 1.00 1.43 O ATOM 1075 CB SER A 89 -7.715 14.728 -13.445 1.00 1.22 C ATOM 1076 OG SER A 89 -6.994 15.423 -12.427 1.00 1.06 O ATOM 0 H SER A 89 -7.955 14.007 -11.115 1.00 0.81 H new ATOM 0 HA SER A 89 -8.758 12.849 -13.609 1.00 1.00 H new ATOM 0 HB2 SER A 89 -7.177 14.797 -14.390 1.00 1.22 H new ATOM 0 HB3 SER A 89 -8.686 15.200 -13.596 1.00 1.22 H new ATOM 0 HG SER A 89 -6.242 14.872 -12.125 1.00 1.06 H new ATOM 1082 N THR A 90 -6.430 12.308 -14.755 1.00 1.14 N ATOM 1083 CA THR A 90 -5.307 11.518 -15.229 1.00 1.15 C ATOM 1084 C THR A 90 -3.980 12.248 -15.002 1.00 1.15 C ATOM 1085 O THR A 90 -3.562 13.080 -15.805 1.00 1.72 O ATOM 1086 CB THR A 90 -5.465 11.154 -16.710 1.00 1.27 C ATOM 1087 OG1 THR A 90 -6.806 10.700 -16.964 1.00 1.45 O ATOM 1088 CG2 THR A 90 -4.479 10.067 -17.094 1.00 1.49 C ATOM 0 H THR A 90 -6.992 12.734 -15.492 1.00 1.14 H new ATOM 0 HA THR A 90 -5.296 10.595 -14.650 1.00 1.15 H new ATOM 0 HB THR A 90 -5.265 12.042 -17.309 1.00 1.27 H new ATOM 0 HG1 THR A 90 -6.900 10.471 -17.912 1.00 1.45 H new ATOM 0 HG21 THR A 90 -4.603 9.819 -18.148 1.00 1.49 H new ATOM 0 HG22 THR A 90 -3.462 10.420 -16.922 1.00 1.49 H new ATOM 0 HG23 THR A 90 -4.662 9.179 -16.489 1.00 1.49 H new ATOM 1096 N ASP A 91 -3.350 11.924 -13.880 1.00 0.95 N ATOM 1097 CA ASP A 91 -2.101 12.534 -13.434 1.00 0.97 C ATOM 1098 C ASP A 91 -1.748 11.914 -12.085 1.00 0.89 C ATOM 1099 O ASP A 91 -0.756 11.200 -11.924 1.00 0.88 O ATOM 1100 CB ASP A 91 -2.256 14.054 -13.302 1.00 1.12 C ATOM 1101 CG ASP A 91 -0.935 14.765 -13.046 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -0.564 14.924 -11.864 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -0.276 15.182 -14.031 1.00 1.90 O ATOM 0 H ASP A 91 -3.701 11.213 -13.238 1.00 0.95 H new ATOM 0 HA ASP A 91 -1.309 12.352 -14.160 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -2.704 14.449 -14.214 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -2.945 14.274 -12.487 1.00 1.12 H new ATOM 1108 N ALA A 92 -2.656 12.143 -11.136 1.00 0.90 N ATOM 1109 CA ALA A 92 -2.596 11.559 -9.802 1.00 0.90 C ATOM 1110 C ALA A 92 -2.781 10.056 -9.868 1.00 0.82 C ATOM 1111 O ALA A 92 -2.323 9.318 -9.000 1.00 1.07 O ATOM 1112 CB ALA A 92 -3.679 12.169 -8.940 1.00 0.97 C ATOM 0 H ALA A 92 -3.464 12.749 -11.278 1.00 0.90 H new ATOM 0 HA ALA A 92 -1.618 11.768 -9.369 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -3.637 11.734 -7.941 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -3.527 13.246 -8.874 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -4.654 11.966 -9.383 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.462 9.621 -10.917 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.684 8.201 -11.189 1.00 0.73 C ATOM 1120 C ARG A 93 -2.368 7.477 -11.434 1.00 0.69 C ATOM 1121 O ARG A 93 -2.292 6.251 -11.385 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.573 8.062 -12.426 1.00 0.82 C ATOM 1123 CG ARG A 93 -5.975 8.616 -12.237 1.00 1.64 C ATOM 1124 CD ARG A 93 -6.795 8.500 -13.514 1.00 1.70 C ATOM 1125 NE ARG A 93 -8.175 8.959 -13.336 1.00 2.71 N ATOM 1126 CZ ARG A 93 -9.141 8.772 -14.231 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -8.869 8.216 -15.408 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -10.370 9.167 -13.962 1.00 4.15 N ATOM 0 H ARG A 93 -3.880 10.242 -11.609 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.167 7.753 -10.320 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.099 8.575 -13.263 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.642 7.008 -12.696 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -6.475 8.078 -11.432 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -5.917 9.661 -11.934 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.320 9.084 -14.302 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.800 7.462 -13.846 1.00 1.70 H new ATOM 0 HE ARG A 93 -8.409 9.452 -12.474 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -7.915 7.930 -15.629 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -9.614 8.075 -16.090 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -10.578 9.615 -13.069 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -11.113 9.025 -14.647 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.338 8.265 -11.710 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.041 7.757 -12.111 1.00 0.60 C ATOM 1144 C GLU A 94 0.981 8.083 -11.029 1.00 0.58 C ATOM 1145 O GLU A 94 1.826 7.282 -10.647 1.00 0.74 O ATOM 1146 CB GLU A 94 0.392 8.393 -13.445 1.00 0.68 C ATOM 1147 CG GLU A 94 -0.558 8.142 -14.614 1.00 1.19 C ATOM 1148 CD GLU A 94 -0.088 8.808 -15.885 1.00 1.38 C ATOM 1149 OE1 GLU A 94 0.762 8.220 -16.585 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -0.574 9.917 -16.190 1.00 2.11 O ATOM 0 H GLU A 94 -1.383 9.283 -11.660 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.104 6.677 -12.244 1.00 0.60 H new ATOM 0 HB2 GLU A 94 0.493 9.469 -13.302 1.00 0.68 H new ATOM 0 HB3 GLU A 94 1.379 8.012 -13.709 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -0.650 7.069 -14.781 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -1.551 8.511 -14.358 1.00 1.19 H new ATOM 1157 N MET A 95 0.863 9.319 -10.548 1.00 0.48 N ATOM 1158 CA MET A 95 1.767 9.905 -9.573 1.00 0.49 C ATOM 1159 C MET A 95 1.749 9.149 -8.256 1.00 0.42 C ATOM 1160 O MET A 95 2.759 9.048 -7.571 1.00 0.50 O ATOM 1161 CB MET A 95 1.368 11.365 -9.325 1.00 0.53 C ATOM 1162 CG MET A 95 2.290 12.089 -8.352 1.00 0.65 C ATOM 1163 SD MET A 95 1.873 13.832 -8.119 1.00 1.09 S ATOM 1164 CE MET A 95 3.258 14.362 -7.114 1.00 1.75 C ATOM 0 H MET A 95 0.117 9.952 -10.835 1.00 0.48 H new ATOM 0 HA MET A 95 2.778 9.848 -9.977 1.00 0.49 H new ATOM 0 HB2 MET A 95 1.364 11.899 -10.275 1.00 0.53 H new ATOM 0 HB3 MET A 95 0.349 11.395 -8.938 1.00 0.53 H new ATOM 0 HG2 MET A 95 2.255 11.584 -7.387 1.00 0.65 H new ATOM 0 HG3 MET A 95 3.316 12.015 -8.713 1.00 0.65 H new ATOM 0 HE1 MET A 95 3.154 15.422 -6.880 1.00 1.75 H new ATOM 0 HE2 MET A 95 3.277 13.786 -6.189 1.00 1.75 H new ATOM 0 HE3 MET A 95 4.187 14.201 -7.661 1.00 1.75 H new ATOM 1174 N SER A 96 0.570 8.640 -7.907 1.00 0.34 N ATOM 1175 CA SER A 96 0.337 8.072 -6.579 1.00 0.31 C ATOM 1176 C SER A 96 1.005 6.704 -6.425 1.00 0.31 C ATOM 1177 O SER A 96 1.069 6.149 -5.334 1.00 0.33 O ATOM 1178 CB SER A 96 -1.156 7.917 -6.292 1.00 0.36 C ATOM 1179 OG SER A 96 -1.399 7.800 -4.901 1.00 1.13 O ATOM 0 H SER A 96 -0.241 8.609 -8.525 1.00 0.34 H new ATOM 0 HA SER A 96 0.776 8.771 -5.866 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.697 8.777 -6.688 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.539 7.036 -6.807 1.00 0.36 H new ATOM 0 HG SER A 96 -1.287 6.866 -4.627 1.00 1.13 H new ATOM 1185 N LYS A 97 1.456 6.173 -7.564 1.00 0.36 N ATOM 1186 CA LYS A 97 2.029 4.825 -7.660 1.00 0.43 C ATOM 1187 C LYS A 97 3.283 4.677 -6.807 1.00 0.41 C ATOM 1188 O LYS A 97 3.678 3.569 -6.456 1.00 0.48 O ATOM 1189 CB LYS A 97 2.370 4.495 -9.116 1.00 0.56 C ATOM 1190 CG LYS A 97 1.177 4.051 -9.946 1.00 0.83 C ATOM 1191 CD LYS A 97 1.596 3.736 -11.367 1.00 1.15 C ATOM 1192 CE LYS A 97 0.474 3.095 -12.154 1.00 1.56 C ATOM 1193 NZ LYS A 97 0.186 1.707 -11.679 1.00 2.15 N ATOM 0 H LYS A 97 1.434 6.670 -8.455 1.00 0.36 H new ATOM 0 HA LYS A 97 1.277 4.130 -7.286 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.817 5.374 -9.582 1.00 0.56 H new ATOM 0 HB3 LYS A 97 3.124 3.708 -9.132 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.721 3.171 -9.493 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.420 4.835 -9.951 1.00 0.83 H new ATOM 0 HD2 LYS A 97 1.912 4.653 -11.865 1.00 1.15 H new ATOM 0 HD3 LYS A 97 2.458 3.068 -11.353 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -0.426 3.704 -12.066 1.00 1.56 H new ATOM 0 HE3 LYS A 97 0.739 3.070 -13.211 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 -0.409 1.218 -12.377 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 1.079 1.188 -11.562 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 -0.313 1.749 -10.767 1.00 2.15 H new ATOM 1207 N THR A 98 3.923 5.805 -6.524 1.00 0.40 N ATOM 1208 CA THR A 98 5.150 5.823 -5.731 1.00 0.46 C ATOM 1209 C THR A 98 4.820 6.018 -4.258 1.00 0.41 C ATOM 1210 O THR A 98 5.696 5.957 -3.394 1.00 0.48 O ATOM 1211 CB THR A 98 6.100 6.940 -6.197 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.386 8.180 -6.303 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.722 6.593 -7.537 1.00 1.15 C ATOM 0 H THR A 98 3.612 6.726 -6.833 1.00 0.40 H new ATOM 0 HA THR A 98 5.650 4.865 -5.870 1.00 0.46 H new ATOM 0 HB THR A 98 6.896 7.042 -5.459 1.00 0.59 H new ATOM 0 HG1 THR A 98 5.998 8.886 -6.599 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.390 7.397 -7.847 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.288 5.666 -7.446 1.00 1.15 H new ATOM 0 HG23 THR A 98 5.936 6.467 -8.281 1.00 1.15 H new ATOM 1221 N PHE A 99 3.541 6.264 -3.997 1.00 0.32 N ATOM 1222 CA PHE A 99 3.021 6.371 -2.645 1.00 0.32 C ATOM 1223 C PHE A 99 2.420 5.031 -2.231 1.00 0.30 C ATOM 1224 O PHE A 99 2.219 4.754 -1.049 1.00 0.31 O ATOM 1225 CB PHE A 99 1.962 7.473 -2.575 1.00 0.34 C ATOM 1226 CG PHE A 99 2.495 8.838 -2.894 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.270 9.518 -1.986 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.238 9.424 -4.123 1.00 0.77 C ATOM 1229 CE1 PHE A 99 3.768 10.766 -2.279 1.00 0.90 C ATOM 1230 CE2 PHE A 99 2.725 10.680 -4.429 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.456 11.379 -3.464 1.00 0.47 C ATOM 0 H PHE A 99 2.836 6.395 -4.722 1.00 0.32 H new ATOM 0 HA PHE A 99 3.831 6.629 -1.962 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.156 7.235 -3.269 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.528 7.486 -1.575 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.491 9.067 -1.030 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.648 8.890 -4.853 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.410 11.267 -1.569 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.543 11.116 -5.400 1.00 0.81 H new ATOM 0 HZ PHE A 99 3.772 12.395 -3.651 1.00 0.47 H new ATOM 1241 N ILE A 100 2.129 4.206 -3.238 1.00 0.32 N ATOM 1242 CA ILE A 100 1.582 2.869 -3.021 1.00 0.32 C ATOM 1243 C ILE A 100 2.652 1.976 -2.398 1.00 0.34 C ATOM 1244 O ILE A 100 3.571 1.562 -3.103 1.00 0.43 O ATOM 1245 CB ILE A 100 1.134 2.187 -4.327 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.118 3.041 -5.085 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.536 0.829 -4.009 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.401 2.394 -6.354 1.00 0.38 C ATOM 0 H ILE A 100 2.265 4.445 -4.220 1.00 0.32 H new ATOM 0 HA ILE A 100 0.716 2.993 -2.371 1.00 0.32 H new ATOM 0 HB ILE A 100 2.008 2.065 -4.967 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.724 3.256 -4.427 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.577 3.997 -5.337 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.219 0.346 -4.933 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.283 0.209 -3.514 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.324 0.955 -3.352 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -1.117 3.060 -6.836 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.431 2.204 -7.032 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.891 1.452 -6.108 1.00 0.38 H new ATOM 1260 N ILE A 101 2.548 1.673 -1.108 1.00 0.32 N ATOM 1261 CA ILE A 101 3.630 0.955 -0.431 1.00 0.35 C ATOM 1262 C ILE A 101 3.322 -0.518 -0.173 1.00 0.36 C ATOM 1263 O ILE A 101 4.192 -1.252 0.298 1.00 0.43 O ATOM 1264 CB ILE A 101 4.037 1.634 0.895 1.00 0.36 C ATOM 1265 CG1 ILE A 101 2.833 1.736 1.827 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.645 3.007 0.640 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.183 2.342 3.159 1.00 0.38 C ATOM 0 H ILE A 101 1.748 1.905 -0.520 1.00 0.32 H new ATOM 0 HA ILE A 101 4.466 0.998 -1.129 1.00 0.35 H new ATOM 0 HB ILE A 101 4.797 1.019 1.378 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.059 2.337 1.350 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.414 0.742 1.983 1.00 0.33 H new ATOM 0 HG21 ILE A 101 4.923 3.464 1.590 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.532 2.902 0.015 1.00 0.46 H new ATOM 0 HG23 ILE A 101 3.916 3.639 0.133 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.290 2.391 3.782 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.936 1.727 3.652 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.576 3.347 3.009 1.00 0.38 H new ATOM 1279 N GLY A 102 2.099 -0.959 -0.446 1.00 0.33 N ATOM 1280 CA GLY A 102 1.790 -2.381 -0.377 1.00 0.39 C ATOM 1281 C GLY A 102 0.306 -2.648 -0.226 1.00 0.35 C ATOM 1282 O GLY A 102 -0.501 -1.741 -0.383 1.00 0.35 O ATOM 0 H GLY A 102 1.316 -0.362 -0.713 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.154 -2.872 -1.279 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.323 -2.824 0.464 1.00 0.39 H new ATOM 1286 N GLU A 103 -0.056 -3.894 0.070 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.454 -4.252 0.324 1.00 0.42 C ATOM 1288 C GLU A 103 -1.657 -4.642 1.785 1.00 0.37 C ATOM 1289 O GLU A 103 -0.735 -4.558 2.592 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.932 -5.398 -0.581 1.00 0.52 C ATOM 1291 CG GLU A 103 -2.234 -4.970 -2.010 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.880 -6.075 -2.826 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -4.113 -6.260 -2.730 1.00 1.85 O ATOM 1294 OE2 GLU A 103 -2.160 -6.777 -3.567 1.00 1.87 O ATOM 0 H GLU A 103 0.597 -4.674 0.140 1.00 0.40 H new ATOM 0 HA GLU A 103 -2.049 -3.368 0.096 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -1.169 -6.176 -0.599 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.829 -5.841 -0.147 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.894 -4.102 -1.994 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -1.309 -4.658 -2.495 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.865 -5.068 2.119 1.00 0.40 N ATOM 1302 CA LEU A 104 -3.168 -5.532 3.474 1.00 0.42 C ATOM 1303 C LEU A 104 -2.757 -6.995 3.676 1.00 0.42 C ATOM 1304 O LEU A 104 -2.597 -7.742 2.710 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.663 -5.368 3.760 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.200 -3.955 3.528 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -6.673 -3.879 3.887 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.400 -2.947 4.341 1.00 1.33 C ATOM 0 H LEU A 104 -3.655 -5.104 1.475 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.592 -4.923 4.171 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -5.219 -6.063 3.131 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.856 -5.651 4.795 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.093 -3.712 2.471 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -7.038 -2.866 3.715 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -7.235 -4.577 3.267 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.805 -4.139 4.937 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.793 -1.945 4.167 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -4.480 -3.189 5.401 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -3.353 -2.984 4.039 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.556 -7.397 4.932 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.255 -8.803 5.231 1.00 0.53 C ATOM 1322 C HIS A 105 -3.468 -9.709 4.923 1.00 0.60 C ATOM 1323 O HIS A 105 -4.598 -9.230 4.911 1.00 0.64 O ATOM 1324 CB HIS A 105 -1.752 -8.943 6.686 1.00 0.68 C ATOM 1325 CG HIS A 105 -2.780 -8.821 7.761 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -3.142 -9.863 8.585 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -3.478 -7.755 8.177 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -4.024 -9.429 9.463 1.00 2.41 C ATOM 1329 NE2 HIS A 105 -4.256 -8.146 9.242 1.00 2.37 N ATOM 0 H HIS A 105 -2.594 -6.784 5.747 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.450 -9.143 4.579 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -1.266 -9.914 6.787 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -0.988 -8.185 6.857 1.00 0.68 H new ATOM 0 HD2 HIS A 105 -3.437 -6.763 7.751 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -4.483 -10.025 10.238 1.00 2.41 H new ATOM 0 HE2 HIS A 105 -4.897 -7.552 9.768 1.00 2.37 H new ATOM 1338 N PRO A 106 -3.224 -11.030 4.685 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.171 -12.012 4.122 1.00 1.00 C ATOM 1340 C PRO A 106 -5.661 -11.649 4.132 1.00 1.18 C ATOM 1341 O PRO A 106 -6.244 -11.421 3.080 1.00 1.67 O ATOM 1342 CB PRO A 106 -3.904 -13.213 5.026 1.00 1.17 C ATOM 1343 CG PRO A 106 -2.438 -13.145 5.314 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.972 -11.743 4.984 1.00 0.79 C ATOM 0 HA PRO A 106 -4.002 -12.138 3.053 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -4.492 -13.159 5.942 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -4.169 -14.148 4.533 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -2.242 -13.377 6.361 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -1.896 -13.879 4.718 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.441 -11.289 5.820 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.292 -11.735 4.132 1.00 0.79 H new ATOM 1352 N ASP A 107 -6.258 -11.573 5.315 1.00 1.16 N ATOM 1353 CA ASP A 107 -7.723 -11.619 5.457 1.00 1.47 C ATOM 1354 C ASP A 107 -8.329 -10.272 5.169 1.00 1.22 C ATOM 1355 O ASP A 107 -9.475 -10.155 4.741 1.00 1.47 O ATOM 1356 CB ASP A 107 -8.087 -12.044 6.877 1.00 1.90 C ATOM 1357 CG ASP A 107 -9.587 -12.149 7.112 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -10.239 -13.005 6.485 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -10.135 -11.358 7.916 1.00 3.31 O ATOM 0 H ASP A 107 -5.755 -11.479 6.198 1.00 1.16 H new ATOM 0 HA ASP A 107 -8.117 -12.341 4.741 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -7.625 -13.008 7.089 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -7.666 -11.327 7.582 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.522 -9.276 5.456 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.866 -7.887 5.290 1.00 1.11 C ATOM 1366 C ASP A 108 -7.739 -7.473 3.855 1.00 1.14 C ATOM 1367 O ASP A 108 -8.408 -6.586 3.380 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.941 -7.063 6.166 1.00 1.39 C ATOM 1369 CG ASP A 108 -6.994 -7.493 7.617 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -6.498 -8.590 7.919 1.00 3.44 O ATOM 1371 OD2 ASP A 108 -7.515 -6.733 8.457 1.00 3.12 O ATOM 0 H ASP A 108 -6.581 -9.417 5.822 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.903 -7.726 5.584 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -5.919 -7.154 5.799 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -7.214 -6.010 6.091 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.831 -8.186 3.165 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.390 -7.812 1.831 1.00 1.18 C ATOM 1378 C ARG A 109 -7.526 -7.828 0.800 1.00 1.48 C ATOM 1379 O ARG A 109 -7.673 -6.876 0.054 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.244 -8.717 1.389 1.00 1.11 C ATOM 1381 CG ARG A 109 -4.711 -8.386 0.012 1.00 1.45 C ATOM 1382 CD ARG A 109 -3.673 -9.392 -0.431 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.098 -9.032 -1.720 1.00 2.25 N ATOM 1384 CZ ARG A 109 -2.557 -9.901 -2.564 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -2.575 -11.205 -2.289 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.009 -9.459 -3.688 1.00 3.35 N ATOM 0 H ARG A 109 -6.390 -9.033 3.524 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.040 -6.781 1.884 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.432 -8.641 2.112 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.584 -9.752 1.399 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -5.533 -8.369 -0.704 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.273 -7.388 0.019 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -2.882 -9.454 0.317 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -4.128 -10.380 -0.497 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.112 -8.049 -1.991 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -3.006 -11.538 -1.427 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -2.158 -11.869 -2.941 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.007 -8.460 -3.896 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -1.590 -10.118 -4.345 1.00 3.35 H new ATOM 1400 N PRO A 110 -8.328 -8.903 0.702 1.00 1.77 N ATOM 1401 CA PRO A 110 -9.416 -8.966 -0.258 1.00 2.09 C ATOM 1402 C PRO A 110 -10.508 -7.970 0.075 1.00 2.31 C ATOM 1403 O PRO A 110 -10.977 -7.238 -0.809 1.00 2.89 O ATOM 1404 CB PRO A 110 -9.943 -10.406 -0.136 1.00 2.66 C ATOM 1405 CG PRO A 110 -8.892 -11.144 0.632 1.00 2.94 C ATOM 1406 CD PRO A 110 -8.241 -10.117 1.498 1.00 2.39 C ATOM 0 HA PRO A 110 -9.086 -8.719 -1.267 1.00 2.09 H new ATOM 0 HB2 PRO A 110 -10.901 -10.432 0.383 1.00 2.66 H new ATOM 0 HB3 PRO A 110 -10.100 -10.853 -1.118 1.00 2.66 H new ATOM 0 HG2 PRO A 110 -9.330 -11.942 1.231 1.00 2.94 H new ATOM 0 HG3 PRO A 110 -8.169 -11.609 -0.038 1.00 2.94 H new ATOM 0 HD2 PRO A 110 -8.757 -10.010 2.452 1.00 2.39 H new ATOM 0 HD3 PRO A 110 -7.207 -10.377 1.722 1.00 2.39 H new ATOM 1414 N LYS A 111 -10.864 -7.911 1.371 1.00 2.13 N ATOM 1415 CA LYS A 111 -11.967 -7.069 1.859 1.00 2.67 C ATOM 1416 C LYS A 111 -13.308 -7.509 1.256 1.00 3.16 C ATOM 1417 O LYS A 111 -14.142 -8.124 1.919 1.00 3.69 O ATOM 1418 CB LYS A 111 -11.700 -5.586 1.557 1.00 2.87 C ATOM 1419 CG LYS A 111 -10.621 -4.958 2.421 1.00 2.82 C ATOM 1420 CD LYS A 111 -10.112 -3.655 1.821 1.00 3.47 C ATOM 1421 CE LYS A 111 -11.212 -2.617 1.701 1.00 3.97 C ATOM 1422 NZ LYS A 111 -11.590 -2.066 3.023 1.00 4.54 N ATOM 0 H LYS A 111 -10.397 -8.443 2.105 1.00 2.13 H new ATOM 0 HA LYS A 111 -12.026 -7.193 2.940 1.00 2.67 H new ATOM 0 HB2 LYS A 111 -11.415 -5.486 0.510 1.00 2.87 H new ATOM 0 HB3 LYS A 111 -12.627 -5.027 1.690 1.00 2.87 H new ATOM 0 HG2 LYS A 111 -11.017 -4.770 3.419 1.00 2.82 H new ATOM 0 HG3 LYS A 111 -9.792 -5.656 2.533 1.00 2.82 H new ATOM 0 HD2 LYS A 111 -9.307 -3.260 2.441 1.00 3.47 H new ATOM 0 HD3 LYS A 111 -9.689 -3.850 0.836 1.00 3.47 H new ATOM 0 HE2 LYS A 111 -10.880 -1.808 1.051 1.00 3.97 H new ATOM 0 HE3 LYS A 111 -12.086 -3.066 1.230 1.00 3.97 H new ATOM 0 HZ1 LYS A 111 -12.582 -2.302 3.227 1.00 4.54 H new ATOM 0 HZ2 LYS A 111 -10.979 -2.476 3.758 1.00 4.54 H new ATOM 0 HZ3 LYS A 111 -11.475 -1.032 3.014 1.00 4.54 H new ATOM 1436 N LEU A 112 -13.487 -7.192 -0.020 1.00 3.28 N ATOM 1437 CA LEU A 112 -14.717 -7.490 -0.743 1.00 3.87 C ATOM 1438 C LEU A 112 -14.691 -8.918 -1.269 1.00 4.03 C ATOM 1439 O LEU A 112 -13.616 -9.433 -1.595 1.00 4.40 O ATOM 1440 CB LEU A 112 -14.849 -6.520 -1.919 1.00 4.14 C ATOM 1441 CG LEU A 112 -16.053 -6.725 -2.850 1.00 4.72 C ATOM 1442 CD1 LEU A 112 -17.370 -6.407 -2.141 1.00 5.33 C ATOM 1443 CD2 LEU A 112 -15.894 -5.856 -4.090 1.00 5.13 C ATOM 0 H LEU A 112 -12.781 -6.719 -0.585 1.00 3.28 H new ATOM 0 HA LEU A 112 -15.565 -7.381 -0.067 1.00 3.87 H new ATOM 0 HB2 LEU A 112 -14.896 -5.506 -1.521 1.00 4.14 H new ATOM 0 HB3 LEU A 112 -13.941 -6.586 -2.518 1.00 4.14 H new ATOM 0 HG LEU A 112 -16.084 -7.774 -3.144 1.00 4.72 H new ATOM 0 HD11 LEU A 112 -18.201 -6.563 -2.829 1.00 5.33 H new ATOM 0 HD12 LEU A 112 -17.486 -7.062 -1.278 1.00 5.33 H new ATOM 0 HD13 LEU A 112 -17.363 -5.369 -1.810 1.00 5.33 H new ATOM 0 HD21 LEU A 112 -16.749 -6.003 -4.749 1.00 5.13 H new ATOM 0 HD22 LEU A 112 -15.839 -4.808 -3.795 1.00 5.13 H new ATOM 0 HD23 LEU A 112 -14.980 -6.134 -4.614 1.00 5.13 H new ATOM 1455 N ASN A 113 -15.867 -9.531 -1.341 1.00 4.17 N ATOM 1456 CA ASN A 113 -16.043 -10.805 -2.041 1.00 4.65 C ATOM 1457 C ASN A 113 -15.045 -11.853 -1.556 1.00 4.52 C ATOM 1458 O ASN A 113 -14.204 -12.337 -2.305 1.00 4.85 O ATOM 1459 CB ASN A 113 -15.899 -10.560 -3.543 1.00 5.14 C ATOM 1460 CG ASN A 113 -16.430 -11.704 -4.380 1.00 5.80 C ATOM 1461 OD1 ASN A 113 -17.615 -11.754 -4.697 1.00 6.30 O ATOM 1462 ND2 ASN A 113 -15.556 -12.627 -4.748 1.00 6.14 N ATOM 0 H ASN A 113 -16.721 -9.165 -0.920 1.00 4.17 H new ATOM 0 HA ASN A 113 -17.037 -11.198 -1.827 1.00 4.65 H new ATOM 0 HB2 ASN A 113 -16.429 -9.645 -3.809 1.00 5.14 H new ATOM 0 HB3 ASN A 113 -14.847 -10.400 -3.781 1.00 5.14 H new ATOM 0 HD21 ASN A 113 -15.858 -13.418 -5.317 1.00 6.14 H new ATOM 0 HD22 ASN A 113 -14.580 -12.548 -4.463 1.00 6.14 H new ATOM 1469 N LYS A 114 -15.135 -12.162 -0.272 1.00 4.52 N ATOM 1470 CA LYS A 114 -14.214 -13.100 0.363 1.00 4.85 C ATOM 1471 C LYS A 114 -14.969 -14.341 0.821 1.00 5.78 C ATOM 1472 O LYS A 114 -15.522 -14.371 1.921 1.00 6.19 O ATOM 1473 CB LYS A 114 -13.507 -12.423 1.552 1.00 4.78 C ATOM 1474 CG LYS A 114 -12.528 -13.320 2.288 1.00 5.11 C ATOM 1475 CD LYS A 114 -11.863 -12.588 3.440 1.00 5.22 C ATOM 1476 CE LYS A 114 -12.874 -12.126 4.480 1.00 6.07 C ATOM 1477 NZ LYS A 114 -12.228 -11.384 5.598 1.00 6.75 N ATOM 0 H LYS A 114 -15.840 -11.776 0.356 1.00 4.52 H new ATOM 0 HA LYS A 114 -13.457 -13.403 -0.360 1.00 4.85 H new ATOM 0 HB2 LYS A 114 -12.975 -11.543 1.190 1.00 4.78 H new ATOM 0 HB3 LYS A 114 -14.261 -12.072 2.257 1.00 4.78 H new ATOM 0 HG2 LYS A 114 -13.051 -14.198 2.667 1.00 5.11 H new ATOM 0 HG3 LYS A 114 -11.767 -13.677 1.594 1.00 5.11 H new ATOM 0 HD2 LYS A 114 -11.131 -13.243 3.912 1.00 5.22 H new ATOM 0 HD3 LYS A 114 -11.318 -11.726 3.056 1.00 5.22 H new ATOM 0 HE2 LYS A 114 -13.618 -11.487 4.003 1.00 6.07 H new ATOM 0 HE3 LYS A 114 -13.405 -12.991 4.878 1.00 6.07 H new ATOM 0 HZ1 LYS A 114 -12.952 -10.861 6.131 1.00 6.75 H new ATOM 0 HZ2 LYS A 114 -11.750 -12.057 6.231 1.00 6.75 H new ATOM 0 HZ3 LYS A 114 -11.531 -10.715 5.214 1.00 6.75 H new ATOM 1491 N PRO A 115 -15.032 -15.363 -0.037 1.00 6.36 N ATOM 1492 CA PRO A 115 -15.732 -16.607 0.257 1.00 7.42 C ATOM 1493 C PRO A 115 -14.864 -17.553 1.086 1.00 8.03 C ATOM 1494 O PRO A 115 -13.716 -17.814 0.733 1.00 8.08 O ATOM 1495 CB PRO A 115 -16.020 -17.203 -1.133 1.00 7.93 C ATOM 1496 CG PRO A 115 -15.396 -16.270 -2.129 1.00 7.30 C ATOM 1497 CD PRO A 115 -14.435 -15.391 -1.376 1.00 6.27 C ATOM 0 HA PRO A 115 -16.635 -16.447 0.846 1.00 7.42 H new ATOM 0 HB2 PRO A 115 -15.599 -18.204 -1.221 1.00 7.93 H new ATOM 0 HB3 PRO A 115 -17.093 -17.292 -1.303 1.00 7.93 H new ATOM 0 HG2 PRO A 115 -14.876 -16.830 -2.907 1.00 7.30 H new ATOM 0 HG3 PRO A 115 -16.159 -15.670 -2.624 1.00 7.30 H new ATOM 0 HD2 PRO A 115 -13.427 -15.805 -1.365 1.00 6.27 H new ATOM 0 HD3 PRO A 115 -14.366 -14.395 -1.813 1.00 6.27 H new ATOM 1505 N PRO A 116 -15.407 -18.074 2.199 1.00 8.68 N ATOM 1506 CA PRO A 116 -14.675 -19.000 3.068 1.00 9.51 C ATOM 1507 C PRO A 116 -14.549 -20.379 2.435 1.00 10.48 C ATOM 1508 O PRO A 116 -13.458 -20.938 2.329 1.00 10.92 O ATOM 1509 CB PRO A 116 -15.549 -19.093 4.336 1.00 9.98 C ATOM 1510 CG PRO A 116 -16.645 -18.101 4.163 1.00 9.58 C ATOM 1511 CD PRO A 116 -16.770 -17.825 2.690 1.00 8.87 C ATOM 0 HA PRO A 116 -13.659 -18.655 3.261 1.00 9.51 H new ATOM 0 HB2 PRO A 116 -15.951 -20.099 4.458 1.00 9.98 H new ATOM 0 HB3 PRO A 116 -14.963 -18.873 5.229 1.00 9.98 H new ATOM 0 HG2 PRO A 116 -17.582 -18.490 4.562 1.00 9.58 H new ATOM 0 HG3 PRO A 116 -16.423 -17.184 4.708 1.00 9.58 H new ATOM 0 HD2 PRO A 116 -17.498 -18.482 2.215 1.00 8.87 H new ATOM 0 HD3 PRO A 116 -17.090 -16.801 2.495 1.00 8.87 H new ATOM 1519 N GLU A 117 -15.682 -20.906 1.993 1.00 10.96 N ATOM 1520 CA GLU A 117 -15.779 -22.268 1.509 1.00 11.99 C ATOM 1521 C GLU A 117 -17.123 -22.413 0.797 1.00 12.68 C ATOM 1522 O GLU A 117 -17.827 -21.414 0.641 1.00 12.96 O ATOM 1523 CB GLU A 117 -15.682 -23.222 2.706 1.00 12.67 C ATOM 1524 CG GLU A 117 -15.425 -24.678 2.349 1.00 13.04 C ATOM 1525 CD GLU A 117 -15.511 -25.582 3.557 1.00 13.71 C ATOM 1526 OE1 GLU A 117 -16.636 -25.947 3.950 1.00 14.28 O ATOM 1527 OE2 GLU A 117 -14.456 -25.916 4.129 1.00 13.79 O ATOM 0 H GLU A 117 -16.563 -20.394 1.962 1.00 10.96 H new ATOM 0 HA GLU A 117 -14.975 -22.508 0.813 1.00 11.99 H new ATOM 0 HB2 GLU A 117 -14.882 -22.878 3.362 1.00 12.67 H new ATOM 0 HB3 GLU A 117 -16.609 -23.162 3.276 1.00 12.67 H new ATOM 0 HG2 GLU A 117 -16.150 -25.001 1.602 1.00 13.04 H new ATOM 0 HG3 GLU A 117 -14.438 -24.771 1.896 1.00 13.04 H new ATOM 1534 N THR A 118 -17.491 -23.617 0.363 1.00 13.09 N ATOM 1535 CA THR A 118 -18.802 -23.824 -0.240 1.00 13.91 C ATOM 1536 C THR A 118 -19.895 -23.642 0.817 1.00 14.25 C ATOM 1537 O THR A 118 -20.710 -22.723 0.730 1.00 14.32 O ATOM 1538 CB THR A 118 -18.928 -25.227 -0.890 1.00 14.52 C ATOM 1539 OG1 THR A 118 -17.869 -25.439 -1.832 1.00 14.48 O ATOM 1540 CG2 THR A 118 -20.278 -25.380 -1.590 1.00 14.97 C ATOM 0 H THR A 118 -16.908 -24.452 0.417 1.00 13.09 H new ATOM 0 HA THR A 118 -18.922 -23.082 -1.030 1.00 13.91 H new ATOM 0 HB THR A 118 -18.856 -25.973 -0.099 1.00 14.52 H new ATOM 0 HG1 THR A 118 -17.961 -26.329 -2.233 1.00 14.48 H new ATOM 0 HG21 THR A 118 -20.345 -26.371 -2.039 1.00 14.97 H new ATOM 0 HG22 THR A 118 -21.081 -25.256 -0.863 1.00 14.97 H new ATOM 0 HG23 THR A 118 -20.372 -24.622 -2.368 1.00 14.97 H new ATOM 1548 N LEU A 119 -19.860 -24.502 1.835 1.00 14.62 N ATOM 1549 CA LEU A 119 -20.857 -24.501 2.909 1.00 15.15 C ATOM 1550 C LEU A 119 -20.551 -25.656 3.851 1.00 15.86 C ATOM 1551 O LEU A 119 -20.408 -25.469 5.061 1.00 16.21 O ATOM 1552 CB LEU A 119 -22.277 -24.644 2.331 1.00 15.53 C ATOM 1553 CG LEU A 119 -23.414 -24.169 3.236 1.00 15.30 C ATOM 1554 CD1 LEU A 119 -24.713 -24.139 2.455 1.00 15.43 C ATOM 1555 CD2 LEU A 119 -23.563 -25.055 4.467 1.00 15.51 C ATOM 0 H LEU A 119 -19.141 -25.218 1.940 1.00 14.62 H new ATOM 0 HA LEU A 119 -20.812 -23.556 3.451 1.00 15.15 H new ATOM 0 HB2 LEU A 119 -22.326 -24.087 1.395 1.00 15.53 H new ATOM 0 HB3 LEU A 119 -22.446 -25.693 2.087 1.00 15.53 H new ATOM 0 HG LEU A 119 -23.171 -23.164 3.581 1.00 15.30 H new ATOM 0 HD11 LEU A 119 -25.520 -23.800 3.104 1.00 15.43 H new ATOM 0 HD12 LEU A 119 -24.615 -23.456 1.611 1.00 15.43 H new ATOM 0 HD13 LEU A 119 -24.939 -25.140 2.087 1.00 15.43 H new ATOM 0 HD21 LEU A 119 -24.381 -24.685 5.085 1.00 15.51 H new ATOM 0 HD22 LEU A 119 -23.777 -26.077 4.156 1.00 15.51 H new ATOM 0 HD23 LEU A 119 -22.637 -25.037 5.042 1.00 15.51 H new ATOM 1567 N ILE A 120 -20.459 -26.849 3.278 1.00 16.20 N ATOM 1568 CA ILE A 120 -20.174 -28.059 4.033 1.00 17.02 C ATOM 1569 C ILE A 120 -18.808 -28.613 3.644 1.00 17.51 C ATOM 1570 O ILE A 120 -18.606 -29.063 2.516 1.00 17.80 O ATOM 1571 CB ILE A 120 -21.252 -29.134 3.797 1.00 17.69 C ATOM 1572 CG1 ILE A 120 -22.630 -28.604 4.215 1.00 17.88 C ATOM 1573 CG2 ILE A 120 -20.915 -30.403 4.556 1.00 18.24 C ATOM 1574 CD1 ILE A 120 -23.766 -29.554 3.895 1.00 18.20 C ATOM 0 H ILE A 120 -20.580 -27.004 2.277 1.00 16.20 H new ATOM 0 HA ILE A 120 -20.174 -27.797 5.091 1.00 17.02 H new ATOM 0 HB ILE A 120 -21.279 -29.371 2.733 1.00 17.69 H new ATOM 0 HG12 ILE A 120 -22.624 -28.405 5.287 1.00 17.88 H new ATOM 0 HG13 ILE A 120 -22.811 -27.652 3.715 1.00 17.88 H new ATOM 0 HG21 ILE A 120 -21.688 -31.150 4.377 1.00 18.24 H new ATOM 0 HG22 ILE A 120 -19.953 -30.787 4.215 1.00 18.24 H new ATOM 0 HG23 ILE A 120 -20.861 -30.185 5.623 1.00 18.24 H new ATOM 0 HD11 ILE A 120 -24.710 -29.115 4.218 1.00 18.20 H new ATOM 0 HD12 ILE A 120 -23.798 -29.734 2.820 1.00 18.20 H new ATOM 0 HD13 ILE A 120 -23.608 -30.498 4.416 1.00 18.20 H new ATOM 1586 N THR A 121 -17.871 -28.527 4.576 1.00 17.74 N ATOM 1587 CA THR A 121 -16.546 -29.100 4.407 1.00 18.36 C ATOM 1588 C THR A 121 -16.645 -30.601 4.145 1.00 19.19 C ATOM 1589 O THR A 121 -17.600 -31.247 4.574 1.00 19.58 O ATOM 1590 CB THR A 121 -15.715 -28.841 5.676 1.00 18.34 C ATOM 1591 OG1 THR A 121 -15.952 -27.498 6.138 1.00 18.55 O ATOM 1592 CG2 THR A 121 -14.225 -29.019 5.414 1.00 18.03 C ATOM 0 H THR A 121 -18.009 -28.058 5.471 1.00 17.74 H new ATOM 0 HA THR A 121 -16.060 -28.632 3.551 1.00 18.36 H new ATOM 0 HB THR A 121 -16.021 -29.565 6.431 1.00 18.34 H new ATOM 0 HG1 THR A 121 -16.302 -26.956 5.401 1.00 18.55 H new ATOM 0 HG21 THR A 121 -13.669 -28.828 6.332 1.00 18.03 H new ATOM 0 HG22 THR A 121 -14.034 -30.038 5.079 1.00 18.03 H new ATOM 0 HG23 THR A 121 -13.905 -28.318 4.643 1.00 18.03 H new ATOM 1600 N THR A 122 -15.667 -31.128 3.400 1.00 19.55 N ATOM 1601 CA THR A 122 -15.619 -32.541 3.055 1.00 20.46 C ATOM 1602 C THR A 122 -15.810 -33.420 4.286 1.00 21.12 C ATOM 1603 O THR A 122 -14.926 -33.515 5.142 1.00 21.25 O ATOM 1604 CB THR A 122 -14.288 -32.892 2.357 1.00 20.60 C ATOM 1605 OG1 THR A 122 -13.192 -32.329 3.090 1.00 20.58 O ATOM 1606 CG2 THR A 122 -14.262 -32.380 0.916 1.00 20.60 C ATOM 0 H THR A 122 -14.891 -30.583 3.023 1.00 19.55 H new ATOM 0 HA THR A 122 -16.440 -32.736 2.365 1.00 20.46 H new ATOM 0 HB THR A 122 -14.196 -33.978 2.333 1.00 20.60 H new ATOM 0 HG1 THR A 122 -13.322 -32.490 4.048 1.00 20.58 H new ATOM 0 HG21 THR A 122 -13.311 -32.644 0.453 1.00 20.60 H new ATOM 0 HG22 THR A 122 -15.078 -32.834 0.354 1.00 20.60 H new ATOM 0 HG23 THR A 122 -14.379 -31.296 0.913 1.00 20.60 H new ATOM 1614 N ILE A 123 -16.982 -34.033 4.375 1.00 21.64 N ATOM 1615 CA ILE A 123 -17.339 -34.839 5.530 1.00 22.40 C ATOM 1616 C ILE A 123 -16.455 -36.082 5.604 1.00 22.78 C ATOM 1617 O ILE A 123 -16.165 -36.590 6.688 1.00 22.98 O ATOM 1618 CB ILE A 123 -18.836 -35.238 5.491 1.00 23.08 C ATOM 1619 CG1 ILE A 123 -19.226 -36.048 6.731 1.00 23.05 C ATOM 1620 CG2 ILE A 123 -19.169 -36.001 4.207 1.00 23.52 C ATOM 1621 CD1 ILE A 123 -20.704 -36.363 6.802 1.00 23.60 C ATOM 0 H ILE A 123 -17.704 -33.986 3.656 1.00 21.64 H new ATOM 0 HA ILE A 123 -17.175 -34.239 6.425 1.00 22.40 H new ATOM 0 HB ILE A 123 -19.424 -34.320 5.496 1.00 23.08 H new ATOM 0 HG12 ILE A 123 -18.662 -36.981 6.739 1.00 23.05 H new ATOM 0 HG13 ILE A 123 -18.937 -35.494 7.624 1.00 23.05 H new ATOM 0 HG21 ILE A 123 -20.226 -36.268 4.206 1.00 23.52 H new ATOM 0 HG22 ILE A 123 -18.953 -35.372 3.344 1.00 23.52 H new ATOM 0 HG23 ILE A 123 -18.565 -36.907 4.155 1.00 23.52 H new ATOM 0 HD11 ILE A 123 -20.910 -36.938 7.705 1.00 23.60 H new ATOM 0 HD12 ILE A 123 -21.273 -35.434 6.826 1.00 23.60 H new ATOM 0 HD13 ILE A 123 -20.995 -36.944 5.927 1.00 23.60 H new ATOM 1633 N ASP A 124 -16.017 -36.554 4.447 1.00 22.96 N ATOM 1634 CA ASP A 124 -15.134 -37.702 4.387 1.00 23.43 C ATOM 1635 C ASP A 124 -13.702 -37.256 4.157 1.00 23.78 C ATOM 1636 O ASP A 124 -13.457 -36.124 3.716 1.00 23.78 O ATOM 1637 CB ASP A 124 -15.567 -38.682 3.287 1.00 23.94 C ATOM 1638 CG ASP A 124 -15.460 -38.083 1.898 1.00 24.17 C ATOM 1639 OD1 ASP A 124 -16.441 -37.471 1.435 1.00 24.41 O ATOM 1640 OD2 ASP A 124 -14.394 -38.222 1.257 1.00 24.20 O ATOM 0 H ASP A 124 -16.260 -36.158 3.539 1.00 22.96 H new ATOM 0 HA ASP A 124 -15.195 -38.220 5.344 1.00 23.43 H new ATOM 0 HB2 ASP A 124 -14.950 -39.579 3.341 1.00 23.94 H new ATOM 0 HB3 ASP A 124 -16.596 -38.993 3.467 1.00 23.94 H new ATOM 1645 N SER A 125 -12.752 -38.125 4.455 1.00 24.16 N ATOM 1646 CA SER A 125 -11.360 -37.811 4.228 1.00 24.63 C ATOM 1647 C SER A 125 -10.915 -38.335 2.860 1.00 24.84 C ATOM 1648 O SER A 125 -9.778 -38.124 2.442 1.00 25.03 O ATOM 1649 CB SER A 125 -10.500 -38.434 5.323 1.00 25.24 C ATOM 1650 OG SER A 125 -11.024 -38.135 6.609 1.00 25.57 O ATOM 0 H SER A 125 -12.922 -39.049 4.853 1.00 24.16 H new ATOM 0 HA SER A 125 -11.238 -36.728 4.249 1.00 24.63 H new ATOM 0 HB2 SER A 125 -10.456 -39.514 5.186 1.00 25.24 H new ATOM 0 HB3 SER A 125 -9.479 -38.061 5.246 1.00 25.24 H new ATOM 0 HG SER A 125 -10.459 -38.545 7.296 1.00 25.57 H new ATOM 1656 N SER A 126 -11.830 -39.020 2.171 1.00 24.89 N ATOM 1657 CA SER A 126 -11.524 -39.683 0.909 1.00 25.18 C ATOM 1658 C SER A 126 -10.394 -40.702 1.102 1.00 25.41 C ATOM 1659 O SER A 126 -10.266 -41.282 2.183 1.00 25.51 O ATOM 1660 CB SER A 126 -11.161 -38.637 -0.151 1.00 25.59 C ATOM 1661 OG SER A 126 -12.226 -37.704 -0.324 1.00 25.84 O ATOM 0 H SER A 126 -12.798 -39.128 2.473 1.00 24.89 H new ATOM 0 HA SER A 126 -12.403 -40.227 0.564 1.00 25.18 H new ATOM 0 HB2 SER A 126 -10.254 -38.110 0.146 1.00 25.59 H new ATOM 0 HB3 SER A 126 -10.946 -39.131 -1.098 1.00 25.59 H new ATOM 0 HG SER A 126 -12.951 -37.916 0.300 1.00 25.84 H new ATOM 1667 N SER A 127 -9.612 -40.955 0.070 1.00 25.58 N ATOM 1668 CA SER A 127 -8.448 -41.820 0.205 1.00 25.89 C ATOM 1669 C SER A 127 -7.205 -40.970 0.417 1.00 26.06 C ATOM 1670 O SER A 127 -6.480 -41.144 1.395 1.00 26.48 O ATOM 1671 CB SER A 127 -8.302 -42.707 -1.038 1.00 26.15 C ATOM 1672 OG SER A 127 -9.490 -43.452 -1.257 1.00 26.55 O ATOM 0 H SER A 127 -9.757 -40.578 -0.867 1.00 25.58 H new ATOM 0 HA SER A 127 -8.576 -42.471 1.070 1.00 25.89 H new ATOM 0 HB2 SER A 127 -8.087 -42.089 -1.910 1.00 26.15 H new ATOM 0 HB3 SER A 127 -7.458 -43.385 -0.911 1.00 26.15 H new ATOM 0 HG SER A 127 -9.383 -44.012 -2.054 1.00 26.55 H new ATOM 1678 N SER A 128 -6.988 -40.041 -0.506 1.00 25.83 N ATOM 1679 CA SER A 128 -5.901 -39.080 -0.405 1.00 26.03 C ATOM 1680 C SER A 128 -6.130 -37.939 -1.393 1.00 25.96 C ATOM 1681 O SER A 128 -5.171 -37.211 -1.718 1.00 26.15 O ATOM 1682 CB SER A 128 -4.549 -39.760 -0.655 1.00 26.24 C ATOM 1683 OG SER A 128 -4.506 -40.389 -1.919 1.00 26.24 O ATOM 1684 OXT SER A 128 -7.282 -37.784 -1.853 1.00 25.79 O ATOM 0 H SER A 128 -7.560 -39.934 -1.343 1.00 25.83 H new ATOM 0 HA SER A 128 -5.883 -38.670 0.605 1.00 26.03 H new ATOM 0 HB2 SER A 128 -3.752 -39.020 -0.590 1.00 26.24 H new ATOM 0 HB3 SER A 128 -4.363 -40.498 0.125 1.00 26.24 H new ATOM 0 HG SER A 128 -3.630 -40.810 -2.045 1.00 26.24 H new TER 1690 SER A 128 HETATM 1691 FE HEM A 129 -5.693 13.920 -3.861 1.00 0.38 FE HETATM 1692 CHA HEM A 129 -6.013 16.533 -6.037 1.00 0.50 C HETATM 1693 CHB HEM A 129 -2.821 12.833 -5.537 1.00 0.41 C HETATM 1694 CHC HEM A 129 -5.435 11.146 -1.760 1.00 0.38 C HETATM 1695 CHD HEM A 129 -8.610 14.864 -2.182 1.00 0.47 C HETATM 1696 NA HEM A 129 -4.556 14.624 -5.433 1.00 0.41 N HETATM 1697 C1A HEM A 129 -4.893 15.704 -6.177 1.00 0.46 C HETATM 1698 C2A HEM A 129 -3.894 15.848 -7.213 1.00 0.49 C HETATM 1699 C3A HEM A 129 -2.911 14.913 -6.972 1.00 0.47 C HETATM 1700 C4A HEM A 129 -3.411 14.045 -5.932 1.00 0.42 C HETATM 1701 CMA HEM A 129 -1.562 14.810 -7.663 1.00 0.54 C HETATM 1702 CAA HEM A 129 -3.970 16.840 -8.351 1.00 0.58 C HETATM 1703 CBA HEM A 129 -4.960 16.709 -9.518 1.00 0.94 C HETATM 1704 CGA HEM A 129 -4.426 16.055 -10.790 1.00 1.22 C HETATM 1705 O1A HEM A 129 -3.796 16.805 -11.569 1.00 2.03 O HETATM 1706 O2A HEM A 129 -4.657 14.836 -10.978 1.00 1.18 O HETATM 1707 NB HEM A 129 -4.325 12.379 -3.609 1.00 0.36 N HETATM 1708 C1B HEM A 129 -3.203 12.177 -4.370 1.00 0.37 C HETATM 1709 C2B HEM A 129 -2.427 11.135 -3.745 1.00 0.37 C HETATM 1710 C3B HEM A 129 -3.217 10.614 -2.748 1.00 0.35 C HETATM 1711 C4B HEM A 129 -4.417 11.398 -2.657 1.00 0.35 C HETATM 1712 CMB HEM A 129 -1.039 10.742 -4.152 1.00 0.43 C HETATM 1713 CAB HEM A 129 -2.915 9.411 -1.884 1.00 0.38 C HETATM 1714 CBB HEM A 129 -3.256 8.172 -2.258 1.00 0.52 C HETATM 1715 NC HEM A 129 -6.823 13.139 -2.269 1.00 0.39 N HETATM 1716 C1C HEM A 129 -6.519 11.985 -1.589 1.00 0.40 C HETATM 1717 C2C HEM A 129 -7.541 11.760 -0.605 1.00 0.49 C HETATM 1718 C3C HEM A 129 -8.323 12.891 -0.595 1.00 0.47 C HETATM 1719 C4C HEM A 129 -7.949 13.715 -1.736 1.00 0.43 C HETATM 1720 CMC HEM A 129 -7.710 10.511 0.234 1.00 0.64 C HETATM 1721 CAC HEM A 129 -9.415 13.227 0.418 1.00 0.55 C HETATM 1722 CBC HEM A 129 -9.394 12.868 1.723 1.00 0.66 C HETATM 1723 ND HEM A 129 -7.075 15.409 -4.085 1.00 0.44 N HETATM 1724 C1D HEM A 129 -8.177 15.606 -3.292 1.00 0.47 C HETATM 1725 C2D HEM A 129 -8.863 16.765 -3.798 1.00 0.54 C HETATM 1726 C3D HEM A 129 -8.184 17.186 -4.931 1.00 0.55 C HETATM 1727 C4D HEM A 129 -7.009 16.351 -5.060 1.00 0.49 C HETATM 1728 CMD HEM A 129 -10.100 17.366 -3.185 1.00 0.62 C HETATM 1729 CAD HEM A 129 -8.560 18.302 -5.894 1.00 0.65 C HETATM 1730 CBD HEM A 129 -8.928 19.731 -5.488 1.00 1.49 C HETATM 1731 CGD HEM A 129 -10.430 19.960 -5.323 1.00 2.30 C HETATM 1732 O1D HEM A 129 -10.825 20.352 -4.205 1.00 3.20 O HETATM 1733 O2D HEM A 129 -11.163 19.752 -6.314 1.00 2.66 O HETATM 0 HMA1 HEM A 129 -1.646 15.187 -8.682 1.00 0.54 H new HETATM 0 HMA2 HEM A 129 -1.244 13.768 -7.687 1.00 0.54 H new HETATM 0 HMA3 HEM A 129 -0.827 15.401 -7.116 1.00 0.54 H new HETATM 0 HMB1 HEM A 129 -0.907 10.925 -5.218 1.00 0.43 H new HETATM 0 HMB2 HEM A 129 -0.885 9.683 -3.944 1.00 0.43 H new HETATM 0 HMB3 HEM A 129 -0.314 11.331 -3.590 1.00 0.43 H new HETATM 0 HMC1 HEM A 129 -7.344 9.647 -0.321 1.00 0.64 H new HETATM 0 HMC2 HEM A 129 -8.765 10.370 0.469 1.00 0.64 H new HETATM 0 HMC3 HEM A 129 -7.143 10.615 1.159 1.00 0.64 H new HETATM 0 HMD1 HEM A 129 -10.683 16.583 -2.699 1.00 0.62 H new HETATM 0 HMD2 HEM A 129 -10.701 17.835 -3.964 1.00 0.62 H new HETATM 0 HMD3 HEM A 129 -9.813 18.115 -2.447 1.00 0.62 H new HETATM 0 HBB1 HEM A 129 -3.024 7.325 -1.613 1.00 0.52 H new HETATM 0 HBB2 HEM A 129 -3.765 8.010 -3.208 1.00 0.52 H new HETATM 0 HBC1 HEM A 129 -10.217 13.150 2.379 1.00 0.66 H new HETATM 0 HBC2 HEM A 129 -8.554 12.297 2.118 1.00 0.66 H new HETATM 0 HBA1 HEM A 129 -5.323 17.705 -9.772 1.00 0.94 H new HETATM 0 HBA2 HEM A 129 -5.820 16.135 -9.174 1.00 0.94 H new HETATM 0 HAA1 HEM A 129 -2.975 16.877 -8.794 1.00 0.58 H new HETATM 0 HAA2 HEM A 129 -4.154 17.814 -7.899 1.00 0.58 H new HETATM 0 HBD1 HEM A 129 -8.545 20.422 -6.239 1.00 1.49 H new HETATM 0 HBD2 HEM A 129 -8.428 19.972 -4.550 1.00 1.49 H new HETATM 0 HAD1 HEM A 129 -9.407 17.928 -6.469 1.00 0.65 H new HETATM 0 HAD2 HEM A 129 -7.722 18.395 -6.585 1.00 0.65 H new HETATM 0 HHA HEM A 129 -6.119 17.362 -6.721 1.00 0.50 H new HETATM 0 HHB HEM A 129 -2.050 12.398 -6.156 1.00 0.41 H new HETATM 0 HHC HEM A 129 -5.382 10.248 -1.162 1.00 0.38 H new HETATM 0 HHD HEM A 129 -9.490 15.194 -1.650 1.00 0.47 H new HETATM 0 HAB HEM A 129 -2.406 9.556 -0.931 1.00 0.38 H new HETATM 0 HAC HEM A 129 -10.274 13.797 0.065 1.00 0.55 H new