USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 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 Set 1.1: A 24 CYS SG : rot -107:sc= 1.03 USER MOD Set 1.2: A 27 CYS SG : rot 50:sc= -1.32 USER MOD Set 1.3: A 44 CYS SG : rot -88:sc= -7.51! USER MOD Set 1.4: A 57 HIS : no HD1:sc= -3.72! C(o=-12!,f=-23!) USER MOD Set 2.1: A 36 ASN : amide:sc= -3.08! K(o=-3.1!,f=-2.5) USER MOD Set 2.2: A 61 HIS : no HD1:sc= -0.0359 K(o=-3.1,f=-2.5) USER MOD Single : A 1 VAL N :NH3+ 166:sc= -0.0902 (180deg=-0.375) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 7 ASN : amide:sc= 0.0137 K(o=0.014,f=-2.2) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.0984 K(o=0.098,f=-0.41) USER MOD Single : A 13 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.034) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.25 (180deg=0.943) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 38 THR OG1 : rot 172:sc= 1.38 USER MOD Single : A 41 SER OG : rot 57:sc= 1.2 USER MOD Single : A 55 ASN : amide:sc= -0.809 K(o=-0.81,f=-3.4!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -152:sc= -0.362 (180deg=-1.74) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -61:sc= 2.04 USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00559 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -78:sc= -0.134! USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.017) USER MOD Single : A 99 LYS NZ :NH3+ -110:sc= 0.0785 (180deg=-0.248) USER MOD Single : A 100 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-7!) USER MOD Single : A 103 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.6!) USER MOD Single : A 108 MET CE :methyl 155:sc= -0.262 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.537 -7.567 -11.465 1.00 0.75 N ATOM 2 CA VAL A 1 -6.144 -7.991 -10.184 1.00 0.65 C ATOM 3 C VAL A 1 -5.381 -9.169 -9.587 1.00 0.73 C ATOM 4 O VAL A 1 -5.095 -10.150 -10.271 1.00 0.89 O ATOM 5 CB VAL A 1 -7.633 -8.375 -10.376 1.00 0.76 C ATOM 6 CG1 VAL A 1 -7.778 -9.409 -11.480 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.239 -8.898 -9.079 1.00 1.17 C ATOM 0 H1 VAL A 1 -6.193 -6.936 -11.968 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.647 -7.063 -11.277 1.00 0.75 H new ATOM 0 H3 VAL A 1 -5.344 -8.404 -12.051 1.00 0.75 H new ATOM 0 HA VAL A 1 -6.086 -7.147 -9.496 1.00 0.65 H new ATOM 0 HB VAL A 1 -8.176 -7.475 -10.664 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -8.830 -9.667 -11.601 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -7.395 -8.999 -12.415 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -7.213 -10.303 -11.217 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.284 -9.159 -9.245 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.692 -9.782 -8.752 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.175 -8.127 -8.311 1.00 1.17 H new ATOM 17 N SER A 2 -5.018 -9.060 -8.317 1.00 0.77 N ATOM 18 CA SER A 2 -4.407 -10.173 -7.619 1.00 1.05 C ATOM 19 C SER A 2 -5.458 -10.869 -6.761 1.00 0.74 C ATOM 20 O SER A 2 -6.182 -10.223 -6.002 1.00 0.74 O ATOM 21 CB SER A 2 -3.246 -9.678 -6.750 1.00 1.59 C ATOM 22 OG SER A 2 -2.521 -10.760 -6.195 1.00 2.17 O ATOM 0 H SER A 2 -5.136 -8.217 -7.755 1.00 0.77 H new ATOM 0 HA SER A 2 -4.011 -10.884 -8.345 1.00 1.05 H new ATOM 0 HB2 SER A 2 -2.578 -9.059 -7.350 1.00 1.59 H new ATOM 0 HB3 SER A 2 -3.632 -9.047 -5.949 1.00 1.59 H new ATOM 0 HG SER A 2 -1.786 -10.414 -5.647 1.00 2.17 H new ATOM 28 N LYS A 3 -5.542 -12.189 -6.902 1.00 1.00 N ATOM 29 CA LYS A 3 -6.530 -12.989 -6.182 1.00 1.20 C ATOM 30 C LYS A 3 -6.271 -12.944 -4.682 1.00 1.01 C ATOM 31 O LYS A 3 -7.196 -13.042 -3.877 1.00 1.21 O ATOM 32 CB LYS A 3 -6.493 -14.442 -6.664 1.00 1.77 C ATOM 33 CG LYS A 3 -6.732 -14.600 -8.152 1.00 2.09 C ATOM 34 CD LYS A 3 -6.581 -16.047 -8.583 1.00 2.48 C ATOM 35 CE LYS A 3 -6.711 -16.196 -10.088 1.00 2.97 C ATOM 36 NZ LYS A 3 -6.458 -17.592 -10.529 1.00 3.76 N ATOM 0 H LYS A 3 -4.932 -12.732 -7.514 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.515 -12.568 -6.383 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -5.524 -14.873 -6.414 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -7.246 -15.014 -6.122 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -7.732 -14.246 -8.402 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -6.027 -13.978 -8.704 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -5.610 -16.424 -8.262 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -7.339 -16.656 -8.089 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -7.711 -15.893 -10.398 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -6.007 -15.526 -10.582 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -6.556 -17.653 -11.563 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -5.495 -17.873 -10.256 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -7.146 -18.229 -10.078 1.00 3.76 H new ATOM 50 N TYR A 4 -5.001 -12.795 -4.323 1.00 0.82 N ATOM 51 CA TYR A 4 -4.576 -12.718 -2.931 1.00 0.74 C ATOM 52 C TYR A 4 -5.251 -11.560 -2.196 1.00 0.71 C ATOM 53 O TYR A 4 -5.326 -11.551 -0.969 1.00 0.85 O ATOM 54 CB TYR A 4 -3.058 -12.545 -2.881 1.00 0.79 C ATOM 55 CG TYR A 4 -2.410 -13.216 -1.698 1.00 0.97 C ATOM 56 CD1 TYR A 4 -2.194 -14.582 -1.709 1.00 1.18 C ATOM 57 CD2 TYR A 4 -2.014 -12.492 -0.580 1.00 1.63 C ATOM 58 CE1 TYR A 4 -1.600 -15.218 -0.639 1.00 1.59 C ATOM 59 CE2 TYR A 4 -1.416 -13.119 0.496 1.00 2.20 C ATOM 60 CZ TYR A 4 -1.214 -14.483 0.462 1.00 2.07 C ATOM 61 OH TYR A 4 -0.619 -15.113 1.531 1.00 2.69 O ATOM 0 H TYR A 4 -4.234 -12.724 -4.992 1.00 0.82 H new ATOM 0 HA TYR A 4 -4.870 -13.642 -2.432 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -2.625 -12.947 -3.797 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.823 -11.481 -2.857 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -2.495 -15.160 -2.570 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -2.176 -11.425 -0.552 1.00 1.63 H new ATOM 0 HE1 TYR A 4 -1.438 -16.286 -0.663 1.00 1.59 H new ATOM 0 HE2 TYR A 4 -1.109 -12.545 1.358 1.00 2.20 H new ATOM 0 HH TYR A 4 -0.407 -14.453 2.223 1.00 2.69 H new ATOM 71 N ALA A 5 -5.745 -10.592 -2.950 1.00 0.72 N ATOM 72 CA ALA A 5 -6.349 -9.404 -2.366 1.00 0.78 C ATOM 73 C ALA A 5 -7.838 -9.603 -2.093 1.00 0.84 C ATOM 74 O ALA A 5 -8.456 -8.814 -1.375 1.00 1.03 O ATOM 75 CB ALA A 5 -6.132 -8.202 -3.274 1.00 1.02 C ATOM 0 H ALA A 5 -5.740 -10.605 -3.970 1.00 0.72 H new ATOM 0 HA ALA A 5 -5.861 -9.221 -1.409 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -6.589 -7.320 -2.825 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -5.063 -8.031 -3.403 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -6.588 -8.393 -4.245 1.00 1.02 H new ATOM 81 N ASN A 6 -8.414 -10.665 -2.649 1.00 0.88 N ATOM 82 CA ASN A 6 -9.847 -10.911 -2.494 1.00 1.15 C ATOM 83 C ASN A 6 -10.171 -11.318 -1.061 1.00 1.35 C ATOM 84 O ASN A 6 -11.075 -10.763 -0.435 1.00 1.76 O ATOM 85 CB ASN A 6 -10.331 -11.999 -3.460 1.00 1.22 C ATOM 86 CG ASN A 6 -11.843 -12.149 -3.441 1.00 1.60 C ATOM 87 OD1 ASN A 6 -12.574 -11.173 -3.265 1.00 2.19 O ATOM 88 ND2 ASN A 6 -12.324 -13.374 -3.596 1.00 2.25 N ATOM 0 H ASN A 6 -7.919 -11.362 -3.205 1.00 0.88 H new ATOM 0 HA ASN A 6 -10.366 -9.982 -2.728 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -10.004 -11.757 -4.471 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -9.869 -12.950 -3.195 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -13.331 -13.533 -3.572 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -11.687 -14.158 -3.740 1.00 2.25 H new ATOM 95 N ASN A 7 -9.418 -12.278 -0.544 1.00 1.33 N ATOM 96 CA ASN A 7 -9.625 -12.769 0.813 1.00 1.82 C ATOM 97 C ASN A 7 -8.376 -12.578 1.661 1.00 1.74 C ATOM 98 O ASN A 7 -7.958 -13.478 2.392 1.00 2.40 O ATOM 99 CB ASN A 7 -10.046 -14.248 0.810 1.00 2.31 C ATOM 100 CG ASN A 7 -9.169 -15.135 -0.062 1.00 2.79 C ATOM 101 OD1 ASN A 7 -8.022 -14.809 -0.372 1.00 3.33 O ATOM 102 ND2 ASN A 7 -9.699 -16.284 -0.448 1.00 3.26 N ATOM 0 H ASN A 7 -8.655 -12.734 -1.045 1.00 1.33 H new ATOM 0 HA ASN A 7 -10.432 -12.184 1.253 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -10.024 -14.624 1.833 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -11.077 -14.322 0.465 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -9.155 -16.930 -1.020 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -10.652 -16.524 -0.174 1.00 3.26 H new ATOM 109 N LEU A 8 -7.780 -11.397 1.562 1.00 1.18 N ATOM 110 CA LEU A 8 -6.600 -11.075 2.352 1.00 1.17 C ATOM 111 C LEU A 8 -6.953 -10.905 3.827 1.00 0.94 C ATOM 112 O LEU A 8 -8.128 -10.843 4.199 1.00 1.12 O ATOM 113 CB LEU A 8 -5.906 -9.814 1.811 1.00 1.36 C ATOM 114 CG LEU A 8 -6.808 -8.605 1.537 1.00 1.46 C ATOM 115 CD1 LEU A 8 -7.292 -7.955 2.825 1.00 1.38 C ATOM 116 CD2 LEU A 8 -6.071 -7.591 0.685 1.00 2.10 C ATOM 0 H LEU A 8 -8.093 -10.648 0.944 1.00 1.18 H new ATOM 0 HA LEU A 8 -5.905 -11.911 2.267 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -5.139 -9.513 2.524 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -5.395 -10.076 0.885 1.00 1.36 H new ATOM 0 HG LEU A 8 -7.686 -8.962 0.999 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -7.928 -7.103 2.586 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -7.861 -8.680 3.407 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -6.434 -7.616 3.406 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -6.719 -6.735 0.495 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -5.175 -7.258 1.209 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -5.788 -8.049 -0.263 1.00 2.10 H new ATOM 128 N THR A 9 -5.929 -10.831 4.655 1.00 0.92 N ATOM 129 CA THR A 9 -6.110 -10.655 6.082 1.00 0.82 C ATOM 130 C THR A 9 -5.805 -9.213 6.472 1.00 0.67 C ATOM 131 O THR A 9 -4.850 -8.619 5.967 1.00 0.76 O ATOM 132 CB THR A 9 -5.188 -11.605 6.873 1.00 1.14 C ATOM 133 OG1 THR A 9 -5.243 -12.923 6.306 1.00 1.34 O ATOM 134 CG2 THR A 9 -5.603 -11.669 8.336 1.00 1.25 C ATOM 0 H THR A 9 -4.955 -10.891 4.360 1.00 0.92 H new ATOM 0 HA THR A 9 -7.147 -10.889 6.325 1.00 0.82 H new ATOM 0 HB THR A 9 -4.170 -11.220 6.813 1.00 1.14 H new ATOM 0 HG1 THR A 9 -4.654 -13.521 6.811 1.00 1.34 H new ATOM 0 HG21 THR A 9 -4.938 -12.345 8.874 1.00 1.25 H new ATOM 0 HG22 THR A 9 -5.541 -10.674 8.776 1.00 1.25 H new ATOM 0 HG23 THR A 9 -6.627 -12.034 8.408 1.00 1.25 H new ATOM 142 N GLN A 10 -6.630 -8.646 7.338 1.00 0.63 N ATOM 143 CA GLN A 10 -6.386 -7.310 7.858 1.00 0.63 C ATOM 144 C GLN A 10 -5.765 -7.409 9.245 1.00 0.66 C ATOM 145 O GLN A 10 -6.232 -8.174 10.090 1.00 0.85 O ATOM 146 CB GLN A 10 -7.683 -6.500 7.909 1.00 0.78 C ATOM 147 CG GLN A 10 -8.348 -6.335 6.554 1.00 0.90 C ATOM 148 CD GLN A 10 -9.569 -5.436 6.600 1.00 1.21 C ATOM 149 OE1 GLN A 10 -10.259 -5.350 7.613 1.00 1.49 O ATOM 150 NE2 GLN A 10 -9.841 -4.753 5.498 1.00 1.91 N ATOM 0 H GLN A 10 -7.475 -9.091 7.696 1.00 0.63 H new ATOM 0 HA GLN A 10 -5.695 -6.794 7.191 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -8.380 -6.988 8.590 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -7.470 -5.514 8.323 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -7.626 -5.923 5.849 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -8.639 -7.315 6.176 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -9.244 -4.851 4.677 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -10.647 -4.129 5.471 1.00 1.91 H new ATOM 159 N LEU A 11 -4.710 -6.652 9.471 1.00 0.56 N ATOM 160 CA LEU A 11 -3.962 -6.734 10.712 1.00 0.56 C ATOM 161 C LEU A 11 -3.724 -5.351 11.303 1.00 0.57 C ATOM 162 O LEU A 11 -3.353 -4.417 10.597 1.00 0.73 O ATOM 163 CB LEU A 11 -2.627 -7.436 10.443 1.00 0.62 C ATOM 164 CG LEU A 11 -1.621 -7.443 11.598 1.00 0.53 C ATOM 165 CD1 LEU A 11 -2.207 -8.122 12.830 1.00 0.91 C ATOM 166 CD2 LEU A 11 -0.334 -8.136 11.177 1.00 0.88 C ATOM 0 H LEU A 11 -4.348 -5.968 8.807 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.540 -7.306 11.438 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.834 -8.469 10.163 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -2.157 -6.960 9.582 1.00 0.62 H new ATOM 0 HG LEU A 11 -1.396 -6.408 11.855 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.472 -8.113 13.635 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -3.101 -7.587 13.150 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -2.468 -9.152 12.588 1.00 0.91 H new ATOM 0 HD21 LEU A 11 0.370 -8.132 12.009 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -0.552 -9.165 10.890 1.00 0.88 H new ATOM 0 HD23 LEU A 11 0.103 -7.608 10.329 1.00 0.88 H new ATOM 178 N ASP A 12 -3.964 -5.223 12.597 1.00 0.63 N ATOM 179 CA ASP A 12 -3.620 -4.006 13.313 1.00 0.83 C ATOM 180 C ASP A 12 -2.429 -4.281 14.212 1.00 0.94 C ATOM 181 O ASP A 12 -2.578 -4.813 15.310 1.00 1.05 O ATOM 182 CB ASP A 12 -4.793 -3.498 14.157 1.00 1.10 C ATOM 183 CG ASP A 12 -6.031 -3.200 13.341 1.00 1.44 C ATOM 184 OD1 ASP A 12 -6.064 -2.143 12.678 1.00 2.02 O ATOM 185 OD2 ASP A 12 -6.968 -4.028 13.339 1.00 1.94 O ATOM 0 H ASP A 12 -4.395 -5.946 13.173 1.00 0.63 H new ATOM 0 HA ASP A 12 -3.376 -3.235 12.582 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -5.036 -4.243 14.915 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -4.488 -2.594 14.685 1.00 1.10 H new ATOM 190 N ASN A 13 -1.244 -3.941 13.734 1.00 1.02 N ATOM 191 CA ASN A 13 -0.026 -4.171 14.497 1.00 1.28 C ATOM 192 C ASN A 13 0.661 -2.842 14.800 1.00 1.44 C ATOM 193 O ASN A 13 1.763 -2.564 14.324 1.00 1.62 O ATOM 194 CB ASN A 13 0.911 -5.108 13.725 1.00 1.46 C ATOM 195 CG ASN A 13 2.106 -5.573 14.545 1.00 1.77 C ATOM 196 OD1 ASN A 13 3.174 -5.844 14.000 1.00 1.90 O ATOM 197 ND2 ASN A 13 1.934 -5.681 15.855 1.00 2.47 N ATOM 0 H ASN A 13 -1.098 -3.506 12.823 1.00 1.02 H new ATOM 0 HA ASN A 13 -0.282 -4.648 15.443 1.00 1.28 H new ATOM 0 HB2 ASN A 13 0.348 -5.979 13.390 1.00 1.46 H new ATOM 0 HB3 ASN A 13 1.269 -4.597 12.831 1.00 1.46 H new ATOM 0 HD21 ASN A 13 2.703 -5.998 16.446 1.00 2.47 H new ATOM 0 HD22 ASN A 13 1.033 -5.447 16.272 1.00 2.47 H new ATOM 204 N GLY A 14 -0.016 -2.010 15.580 1.00 1.54 N ATOM 205 CA GLY A 14 0.517 -0.709 15.926 1.00 1.82 C ATOM 206 C GLY A 14 0.272 0.310 14.834 1.00 1.62 C ATOM 207 O GLY A 14 0.724 1.453 14.925 1.00 1.79 O ATOM 0 H GLY A 14 -0.931 -2.216 15.981 1.00 1.54 H new ATOM 0 HA2 GLY A 14 0.060 -0.364 16.853 1.00 1.82 H new ATOM 0 HA3 GLY A 14 1.588 -0.793 16.111 1.00 1.82 H new ATOM 211 N VAL A 15 -0.456 -0.107 13.805 1.00 1.30 N ATOM 212 CA VAL A 15 -0.727 0.739 12.656 1.00 1.12 C ATOM 213 C VAL A 15 -1.608 1.927 13.020 1.00 1.26 C ATOM 214 O VAL A 15 -2.756 1.777 13.447 1.00 1.39 O ATOM 215 CB VAL A 15 -1.367 -0.067 11.500 1.00 0.92 C ATOM 216 CG1 VAL A 15 -2.578 -0.846 11.977 1.00 0.98 C ATOM 217 CG2 VAL A 15 -1.736 0.843 10.336 1.00 0.93 C ATOM 0 H VAL A 15 -0.872 -1.037 13.746 1.00 1.30 H new ATOM 0 HA VAL A 15 0.235 1.125 12.318 1.00 1.12 H new ATOM 0 HB VAL A 15 -0.624 -0.783 11.148 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -3.005 -1.402 11.142 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -2.278 -1.542 12.760 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -3.323 -0.155 12.372 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -2.183 0.250 9.538 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -2.450 1.594 10.674 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -0.839 1.337 9.962 1.00 0.93 H new ATOM 227 N ARG A 16 -1.041 3.108 12.866 1.00 1.34 N ATOM 228 CA ARG A 16 -1.773 4.339 13.056 1.00 1.54 C ATOM 229 C ARG A 16 -1.536 5.237 11.852 1.00 1.39 C ATOM 230 O ARG A 16 -0.509 5.901 11.751 1.00 1.49 O ATOM 231 CB ARG A 16 -1.333 5.022 14.356 1.00 1.95 C ATOM 232 CG ARG A 16 -2.373 5.980 14.924 1.00 2.24 C ATOM 233 CD ARG A 16 -2.456 7.269 14.122 1.00 2.54 C ATOM 234 NE ARG A 16 -1.568 8.304 14.654 1.00 3.18 N ATOM 235 CZ ARG A 16 -0.509 8.801 14.011 1.00 3.77 C ATOM 236 NH1 ARG A 16 -0.127 8.310 12.840 1.00 3.91 N ATOM 237 NH2 ARG A 16 0.189 9.783 14.558 1.00 4.59 N ATOM 0 H ARG A 16 -0.063 3.238 12.607 1.00 1.34 H new ATOM 0 HA ARG A 16 -2.840 4.132 13.141 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -1.110 4.258 15.101 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -0.408 5.569 14.174 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -3.349 5.494 14.931 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -2.125 6.212 15.960 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -2.196 7.067 13.083 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -3.483 7.634 14.128 1.00 2.54 H new ATOM 0 HE ARG A 16 -1.773 8.672 15.583 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -0.645 7.540 12.416 1.00 3.91 H new ATOM 0 HH12 ARG A 16 0.685 8.702 12.363 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -0.083 10.157 15.467 1.00 4.59 H new ATOM 0 HH22 ARG A 16 0.999 10.166 14.070 1.00 4.59 H new ATOM 251 N ILE A 17 -2.477 5.228 10.927 1.00 1.28 N ATOM 252 CA ILE A 17 -2.359 6.024 9.716 1.00 1.19 C ATOM 253 C ILE A 17 -2.536 7.506 10.050 1.00 1.73 C ATOM 254 O ILE A 17 -3.478 7.884 10.748 1.00 2.16 O ATOM 255 CB ILE A 17 -3.395 5.587 8.656 1.00 1.21 C ATOM 256 CG1 ILE A 17 -3.366 4.065 8.472 1.00 1.00 C ATOM 257 CG2 ILE A 17 -3.103 6.270 7.331 1.00 1.15 C ATOM 258 CD1 ILE A 17 -2.123 3.558 7.770 1.00 0.64 C ATOM 0 H ILE A 17 -3.334 4.678 10.990 1.00 1.28 H new ATOM 0 HA ILE A 17 -1.365 5.865 9.297 1.00 1.19 H new ATOM 0 HB ILE A 17 -4.387 5.880 9.001 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -3.440 3.589 9.450 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.244 3.760 7.902 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -3.838 5.956 6.590 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -3.156 7.351 7.459 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -2.105 5.994 6.991 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -2.175 2.473 7.677 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -2.057 4.005 6.778 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -1.241 3.830 8.350 1.00 0.64 H new ATOM 316 N TRP A 22 -1.035 9.504 3.972 1.00 0.80 N ATOM 317 CA TRP A 22 0.049 8.613 3.619 1.00 0.60 C ATOM 318 C TRP A 22 1.409 9.216 3.943 1.00 0.47 C ATOM 319 O TRP A 22 1.577 10.434 3.944 1.00 0.57 O ATOM 320 CB TRP A 22 -0.022 8.232 2.139 1.00 0.60 C ATOM 321 CG TRP A 22 -0.494 9.327 1.213 1.00 0.94 C ATOM 322 CD1 TRP A 22 -1.687 9.343 0.547 1.00 1.96 C ATOM 323 CD2 TRP A 22 0.183 10.542 0.846 1.00 1.26 C ATOM 324 NE1 TRP A 22 -1.797 10.485 -0.204 1.00 2.25 N ATOM 325 CE2 TRP A 22 -0.667 11.238 -0.039 1.00 1.73 C ATOM 326 CE3 TRP A 22 1.414 11.116 1.174 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -0.323 12.467 -0.593 1.00 2.22 C ATOM 328 CZ3 TRP A 22 1.753 12.338 0.625 1.00 2.82 C ATOM 329 CH2 TRP A 22 0.887 13.003 -0.249 1.00 2.65 C ATOM 0 HA TRP A 22 -0.066 7.712 4.222 1.00 0.60 H new ATOM 0 HB2 TRP A 22 0.967 7.907 1.816 1.00 0.60 H new ATOM 0 HB3 TRP A 22 -0.689 7.376 2.033 1.00 0.60 H new ATOM 0 HD1 TRP A 22 -2.436 8.567 0.604 1.00 1.96 H new ATOM 0 HE1 TRP A 22 -2.593 10.733 -0.791 1.00 2.25 H new ATOM 0 HE3 TRP A 22 2.091 10.612 1.847 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -0.989 12.980 -1.271 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 2.703 12.787 0.875 1.00 2.82 H new ATOM 0 HH2 TRP A 22 1.180 13.958 -0.660 1.00 2.65 H new ATOM 340 N LYS A 23 2.339 8.332 4.283 1.00 0.41 N ATOM 341 CA LYS A 23 3.757 8.633 4.407 1.00 0.39 C ATOM 342 C LYS A 23 4.461 7.430 5.009 1.00 0.37 C ATOM 343 O LYS A 23 3.936 6.779 5.913 1.00 0.39 O ATOM 344 CB LYS A 23 4.033 9.876 5.251 1.00 0.51 C ATOM 345 CG LYS A 23 5.516 10.168 5.398 1.00 0.59 C ATOM 346 CD LYS A 23 5.776 11.579 5.877 1.00 0.70 C ATOM 347 CE LYS A 23 5.261 12.598 4.880 1.00 0.67 C ATOM 348 NZ LYS A 23 5.969 13.899 5.029 1.00 1.23 N ATOM 0 H LYS A 23 2.119 7.357 4.486 1.00 0.41 H new ATOM 0 HA LYS A 23 4.139 8.847 3.409 1.00 0.39 H new ATOM 0 HB2 LYS A 23 3.541 10.736 4.796 1.00 0.51 H new ATOM 0 HB3 LYS A 23 3.593 9.744 6.240 1.00 0.51 H new ATOM 0 HG2 LYS A 23 5.956 9.461 6.101 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.012 10.014 4.439 1.00 0.59 H new ATOM 0 HD2 LYS A 23 5.293 11.733 6.842 1.00 0.70 H new ATOM 0 HD3 LYS A 23 6.846 11.723 6.029 1.00 0.70 H new ATOM 0 HE2 LYS A 23 5.397 12.221 3.867 1.00 0.67 H new ATOM 0 HE3 LYS A 23 4.191 12.744 5.025 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 5.450 14.638 4.513 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 6.022 14.152 6.036 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 6.931 13.817 4.642 1.00 1.23 H new ATOM 362 N CYS A 24 5.631 7.133 4.478 1.00 0.37 N ATOM 363 CA CYS A 24 6.412 5.985 4.899 1.00 0.40 C ATOM 364 C CYS A 24 6.866 6.115 6.351 1.00 0.48 C ATOM 365 O CYS A 24 7.216 7.198 6.819 1.00 0.57 O ATOM 366 CB CYS A 24 7.600 5.830 3.957 1.00 0.46 C ATOM 367 SG CYS A 24 9.147 5.404 4.761 1.00 0.80 S ATOM 0 H CYS A 24 6.069 7.683 3.739 1.00 0.37 H new ATOM 0 HA CYS A 24 5.790 5.091 4.850 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.365 5.060 3.222 1.00 0.46 H new ATOM 0 HB3 CYS A 24 7.736 6.763 3.410 1.00 0.46 H new ATOM 0 HG CYS A 24 9.934 6.438 4.763 1.00 0.80 H new ATOM 372 N ALA A 25 6.842 4.982 7.045 1.00 0.50 N ATOM 373 CA ALA A 25 7.154 4.905 8.467 1.00 0.62 C ATOM 374 C ALA A 25 8.615 5.245 8.777 1.00 0.70 C ATOM 375 O ALA A 25 8.946 5.600 9.908 1.00 0.90 O ATOM 376 CB ALA A 25 6.816 3.515 8.963 1.00 0.72 C ATOM 0 H ALA A 25 6.603 4.081 6.631 1.00 0.50 H new ATOM 0 HA ALA A 25 6.553 5.653 8.985 1.00 0.62 H new ATOM 0 HB1 ALA A 25 7.044 3.443 10.026 1.00 0.72 H new ATOM 0 HB2 ALA A 25 5.755 3.321 8.806 1.00 0.72 H new ATOM 0 HB3 ALA A 25 7.405 2.780 8.415 1.00 0.72 H new ATOM 382 N ARG A 26 9.488 5.116 7.785 1.00 0.72 N ATOM 383 CA ARG A 26 10.903 5.414 7.966 1.00 0.88 C ATOM 384 C ARG A 26 11.263 6.769 7.363 1.00 0.84 C ATOM 385 O ARG A 26 11.141 7.812 8.005 1.00 0.94 O ATOM 386 CB ARG A 26 11.761 4.342 7.309 1.00 1.00 C ATOM 387 CG ARG A 26 12.106 3.169 8.200 1.00 1.18 C ATOM 388 CD ARG A 26 10.883 2.500 8.786 1.00 1.06 C ATOM 389 NE ARG A 26 11.182 1.132 9.200 1.00 1.71 N ATOM 390 CZ ARG A 26 10.526 0.473 10.155 1.00 1.86 C ATOM 391 NH1 ARG A 26 9.577 1.073 10.863 1.00 1.80 N ATOM 392 NH2 ARG A 26 10.843 -0.786 10.425 1.00 2.59 N ATOM 0 H ARG A 26 9.240 4.806 6.845 1.00 0.72 H new ATOM 0 HA ARG A 26 11.096 5.438 9.038 1.00 0.88 H new ATOM 0 HB2 ARG A 26 11.239 3.969 6.428 1.00 1.00 H new ATOM 0 HB3 ARG A 26 12.687 4.800 6.961 1.00 1.00 H new ATOM 0 HG2 ARG A 26 12.675 2.438 7.626 1.00 1.18 H new ATOM 0 HG3 ARG A 26 12.751 3.511 9.010 1.00 1.18 H new ATOM 0 HD2 ARG A 26 10.526 3.073 9.642 1.00 1.06 H new ATOM 0 HD3 ARG A 26 10.080 2.493 8.049 1.00 1.06 H new ATOM 0 HE ARG A 26 11.945 0.648 8.726 1.00 1.71 H new ATOM 0 HH11 ARG A 26 9.343 2.049 10.679 1.00 1.80 H new ATOM 0 HH12 ARG A 26 9.082 0.559 11.591 1.00 1.80 H new ATOM 0 HH21 ARG A 26 11.587 -1.248 9.902 1.00 2.59 H new ATOM 0 HH22 ARG A 26 10.343 -1.293 11.155 1.00 2.59 H new ATOM 406 N CYS A 27 11.700 6.724 6.111 1.00 0.75 N ATOM 407 CA CYS A 27 12.098 7.905 5.364 1.00 0.75 C ATOM 408 C CYS A 27 10.903 8.789 5.026 1.00 0.75 C ATOM 409 O CYS A 27 9.797 8.298 4.801 1.00 0.85 O ATOM 410 CB CYS A 27 12.799 7.454 4.093 1.00 0.75 C ATOM 411 SG CYS A 27 12.768 5.653 3.860 1.00 0.76 S ATOM 0 H CYS A 27 11.788 5.856 5.582 1.00 0.75 H new ATOM 0 HA CYS A 27 12.772 8.503 5.978 1.00 0.75 H new ATOM 0 HB2 CYS A 27 12.326 7.933 3.236 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.835 7.793 4.117 1.00 0.75 H new ATOM 0 HG CYS A 27 11.552 5.217 4.006 1.00 0.76 H new ATOM 416 N ASP A 28 11.147 10.085 4.941 1.00 0.72 N ATOM 417 CA ASP A 28 10.074 11.057 4.758 1.00 0.74 C ATOM 418 C ASP A 28 9.834 11.330 3.279 1.00 0.68 C ATOM 419 O ASP A 28 10.047 12.438 2.783 1.00 0.89 O ATOM 420 CB ASP A 28 10.393 12.361 5.488 1.00 0.86 C ATOM 421 CG ASP A 28 9.161 13.229 5.712 1.00 1.34 C ATOM 422 OD1 ASP A 28 8.665 13.849 4.745 1.00 1.66 O ATOM 423 OD2 ASP A 28 8.691 13.309 6.864 1.00 2.00 O ATOM 0 H ASP A 28 12.080 10.493 4.996 1.00 0.72 H new ATOM 0 HA ASP A 28 9.164 10.633 5.184 1.00 0.74 H new ATOM 0 HB2 ASP A 28 10.850 12.131 6.451 1.00 0.86 H new ATOM 0 HB3 ASP A 28 11.128 12.924 4.913 1.00 0.86 H new ATOM 428 N LEU A 29 9.438 10.297 2.564 1.00 0.53 N ATOM 429 CA LEU A 29 8.989 10.457 1.198 1.00 0.47 C ATOM 430 C LEU A 29 7.481 10.605 1.162 1.00 0.48 C ATOM 431 O LEU A 29 6.758 9.909 1.874 1.00 0.51 O ATOM 432 CB LEU A 29 9.447 9.289 0.332 1.00 0.46 C ATOM 433 CG LEU A 29 10.897 9.388 -0.131 1.00 0.48 C ATOM 434 CD1 LEU A 29 11.311 8.127 -0.867 1.00 0.52 C ATOM 435 CD2 LEU A 29 11.063 10.611 -1.012 1.00 0.56 C ATOM 0 H LEU A 29 9.418 9.337 2.908 1.00 0.53 H new ATOM 0 HA LEU A 29 9.436 11.363 0.788 1.00 0.47 H new ATOM 0 HB2 LEU A 29 9.318 8.363 0.892 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.801 9.224 -0.543 1.00 0.46 H new ATOM 0 HG LEU A 29 11.546 9.490 0.739 1.00 0.48 H new ATOM 0 HD11 LEU A 29 12.348 8.218 -1.189 1.00 0.52 H new ATOM 0 HD12 LEU A 29 11.211 7.269 -0.203 1.00 0.52 H new ATOM 0 HD13 LEU A 29 10.671 7.988 -1.739 1.00 0.52 H new ATOM 0 HD21 LEU A 29 12.099 10.683 -1.343 1.00 0.56 H new ATOM 0 HD22 LEU A 29 10.409 10.526 -1.880 1.00 0.56 H new ATOM 0 HD23 LEU A 29 10.800 11.505 -0.447 1.00 0.56 H new ATOM 447 N ARG A 30 7.020 11.532 0.346 1.00 0.51 N ATOM 448 CA ARG A 30 5.605 11.826 0.234 1.00 0.59 C ATOM 449 C ARG A 30 5.058 11.170 -1.026 1.00 0.60 C ATOM 450 O ARG A 30 3.893 11.330 -1.382 1.00 0.71 O ATOM 451 CB ARG A 30 5.416 13.336 0.156 1.00 0.72 C ATOM 452 CG ARG A 30 6.198 14.085 1.214 1.00 0.94 C ATOM 453 CD ARG A 30 6.217 15.569 0.932 1.00 1.06 C ATOM 454 NE ARG A 30 7.018 16.299 1.909 1.00 2.05 N ATOM 455 CZ ARG A 30 8.297 16.627 1.729 1.00 2.56 C ATOM 456 NH1 ARG A 30 8.930 16.275 0.615 1.00 2.36 N ATOM 457 NH2 ARG A 30 8.941 17.306 2.665 1.00 3.67 N ATOM 0 H ARG A 30 7.614 12.101 -0.257 1.00 0.51 H new ATOM 0 HA ARG A 30 5.071 11.439 1.102 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.723 13.685 -0.830 1.00 0.72 H new ATOM 0 HB3 ARG A 30 4.357 13.570 0.261 1.00 0.72 H new ATOM 0 HG2 ARG A 30 5.755 13.904 2.193 1.00 0.94 H new ATOM 0 HG3 ARG A 30 7.219 13.706 1.251 1.00 0.94 H new ATOM 0 HD2 ARG A 30 6.616 15.743 -0.067 1.00 1.06 H new ATOM 0 HD3 ARG A 30 5.197 15.953 0.940 1.00 1.06 H new ATOM 0 HE ARG A 30 6.572 16.575 2.784 1.00 2.05 H new ATOM 0 HH11 ARG A 30 8.437 15.751 -0.108 1.00 2.36 H new ATOM 0 HH12 ARG A 30 9.909 16.529 0.483 1.00 2.36 H new ATOM 0 HH21 ARG A 30 8.458 17.577 3.522 1.00 3.67 H new ATOM 0 HH22 ARG A 30 9.920 17.558 2.530 1.00 3.67 H new ATOM 471 N GLU A 31 5.930 10.431 -1.696 1.00 0.55 N ATOM 472 CA GLU A 31 5.636 9.863 -3.004 1.00 0.65 C ATOM 473 C GLU A 31 6.150 8.437 -3.080 1.00 0.55 C ATOM 474 O GLU A 31 7.034 8.056 -2.311 1.00 0.49 O ATOM 475 CB GLU A 31 6.308 10.693 -4.099 1.00 0.81 C ATOM 476 CG GLU A 31 5.941 12.163 -4.073 1.00 1.49 C ATOM 477 CD GLU A 31 6.873 12.990 -4.924 1.00 2.12 C ATOM 478 OE1 GLU A 31 7.911 13.443 -4.399 1.00 2.82 O ATOM 479 OE2 GLU A 31 6.577 13.182 -6.119 1.00 2.41 O ATOM 0 H GLU A 31 6.862 10.208 -1.348 1.00 0.55 H new ATOM 0 HA GLU A 31 4.556 9.871 -3.150 1.00 0.65 H new ATOM 0 HB2 GLU A 31 7.389 10.598 -4.001 1.00 0.81 H new ATOM 0 HB3 GLU A 31 6.039 10.279 -5.071 1.00 0.81 H new ATOM 0 HG2 GLU A 31 4.918 12.288 -4.428 1.00 1.49 H new ATOM 0 HG3 GLU A 31 5.969 12.526 -3.046 1.00 1.49 H new ATOM 486 N ASN A 32 5.605 7.666 -4.022 1.00 0.60 N ATOM 487 CA ASN A 32 5.998 6.269 -4.212 1.00 0.61 C ATOM 488 C ASN A 32 5.950 5.522 -2.889 1.00 0.50 C ATOM 489 O ASN A 32 6.955 4.974 -2.417 1.00 0.54 O ATOM 490 CB ASN A 32 7.390 6.171 -4.843 1.00 0.69 C ATOM 491 CG ASN A 32 7.384 6.601 -6.298 1.00 1.23 C ATOM 492 OD1 ASN A 32 7.131 5.795 -7.191 1.00 1.82 O ATOM 493 ND2 ASN A 32 7.663 7.873 -6.545 1.00 2.01 N ATOM 0 H ASN A 32 4.885 7.988 -4.669 1.00 0.60 H new ATOM 0 HA ASN A 32 5.289 5.804 -4.897 1.00 0.61 H new ATOM 0 HB2 ASN A 32 8.087 6.795 -4.283 1.00 0.69 H new ATOM 0 HB3 ASN A 32 7.750 5.145 -4.769 1.00 0.69 H new ATOM 0 HD21 ASN A 32 7.673 8.216 -7.506 1.00 2.01 H new ATOM 0 HD22 ASN A 32 7.867 8.509 -5.774 1.00 2.01 H new ATOM 500 N LEU A 33 4.771 5.538 -2.290 1.00 0.41 N ATOM 501 CA LEU A 33 4.546 4.917 -1.001 1.00 0.32 C ATOM 502 C LEU A 33 3.721 3.658 -1.174 1.00 0.30 C ATOM 503 O LEU A 33 2.820 3.617 -2.007 1.00 0.34 O ATOM 504 CB LEU A 33 3.805 5.884 -0.083 1.00 0.31 C ATOM 505 CG LEU A 33 4.486 7.229 0.127 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.465 8.282 0.522 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.556 7.110 1.193 1.00 0.32 C ATOM 0 H LEU A 33 3.943 5.983 -2.687 1.00 0.41 H new ATOM 0 HA LEU A 33 5.509 4.662 -0.558 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.810 6.059 -0.493 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.671 5.407 0.888 1.00 0.31 H new ATOM 0 HG LEU A 33 4.954 7.534 -0.809 1.00 0.34 H new ATOM 0 HD11 LEU A 33 3.967 9.238 0.669 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.720 8.381 -0.267 1.00 0.39 H new ATOM 0 HD13 LEU A 33 2.975 7.984 1.449 1.00 0.39 H new ATOM 0 HD21 LEU A 33 6.037 8.078 1.335 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.102 6.789 2.130 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.300 6.377 0.881 1.00 0.32 H new ATOM 519 N TRP A 34 4.025 2.643 -0.393 1.00 0.28 N ATOM 520 CA TRP A 34 3.289 1.398 -0.460 1.00 0.28 C ATOM 521 C TRP A 34 2.509 1.187 0.832 1.00 0.27 C ATOM 522 O TRP A 34 3.088 0.899 1.877 1.00 0.31 O ATOM 523 CB TRP A 34 4.239 0.214 -0.695 1.00 0.32 C ATOM 524 CG TRP A 34 5.441 0.538 -1.538 1.00 0.57 C ATOM 525 CD1 TRP A 34 6.721 0.715 -1.098 1.00 1.79 C ATOM 526 CD2 TRP A 34 5.478 0.720 -2.959 1.00 0.53 C ATOM 527 NE1 TRP A 34 7.551 0.994 -2.156 1.00 1.85 N ATOM 528 CE2 TRP A 34 6.813 1.004 -3.308 1.00 0.73 C ATOM 529 CE3 TRP A 34 4.517 0.671 -3.970 1.00 1.77 C ATOM 530 CZ2 TRP A 34 7.207 1.236 -4.624 1.00 0.67 C ATOM 531 CZ3 TRP A 34 4.910 0.902 -5.276 1.00 2.25 C ATOM 532 CH2 TRP A 34 6.245 1.181 -5.592 1.00 1.47 C ATOM 0 H TRP A 34 4.777 2.655 0.296 1.00 0.28 H new ATOM 0 HA TRP A 34 2.594 1.454 -1.298 1.00 0.28 H new ATOM 0 HB2 TRP A 34 4.578 -0.161 0.271 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.683 -0.593 -1.172 1.00 0.32 H new ATOM 0 HD1 TRP A 34 7.035 0.646 -0.067 1.00 1.79 H new ATOM 0 HE1 TRP A 34 8.554 1.166 -2.093 1.00 1.85 H new ATOM 0 HE3 TRP A 34 3.485 0.456 -3.737 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 8.236 1.452 -4.870 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 4.174 0.867 -6.066 1.00 2.25 H new ATOM 0 HH2 TRP A 34 6.520 1.356 -6.622 1.00 1.47 H new ATOM 543 N LEU A 35 1.198 1.369 0.758 1.00 0.25 N ATOM 544 CA LEU A 35 0.322 1.147 1.900 1.00 0.26 C ATOM 545 C LEU A 35 -0.073 -0.324 1.943 1.00 0.27 C ATOM 546 O LEU A 35 -0.900 -0.768 1.145 1.00 0.29 O ATOM 547 CB LEU A 35 -0.929 2.028 1.765 1.00 0.28 C ATOM 548 CG LEU A 35 -1.703 2.352 3.055 1.00 0.32 C ATOM 549 CD1 LEU A 35 -2.951 3.150 2.717 1.00 0.36 C ATOM 550 CD2 LEU A 35 -2.077 1.100 3.834 1.00 0.32 C ATOM 0 H LEU A 35 0.715 1.672 -0.088 1.00 0.25 H new ATOM 0 HA LEU A 35 0.839 1.409 2.823 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.631 2.970 1.304 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.615 1.538 1.074 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.047 2.943 3.693 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.496 3.378 3.633 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -2.666 4.079 2.224 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.587 2.566 2.051 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -2.621 1.381 4.735 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.706 0.461 3.215 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.172 0.560 4.111 1.00 0.32 H new ATOM 562 N ASN A 36 0.506 -1.067 2.875 1.00 0.28 N ATOM 563 CA ASN A 36 0.263 -2.504 2.973 1.00 0.30 C ATOM 564 C ASN A 36 -1.225 -2.813 3.155 1.00 0.30 C ATOM 565 O ASN A 36 -1.943 -2.122 3.884 1.00 0.35 O ATOM 566 CB ASN A 36 1.075 -3.106 4.126 1.00 0.37 C ATOM 567 CG ASN A 36 0.873 -4.610 4.259 1.00 0.83 C ATOM 568 OD1 ASN A 36 0.604 -5.303 3.286 1.00 1.62 O ATOM 569 ND2 ASN A 36 1.018 -5.134 5.460 1.00 1.44 N ATOM 0 H ASN A 36 1.149 -0.700 3.577 1.00 0.28 H new ATOM 0 HA ASN A 36 0.585 -2.958 2.036 1.00 0.30 H new ATOM 0 HB2 ASN A 36 2.133 -2.897 3.969 1.00 0.37 H new ATOM 0 HB3 ASN A 36 0.790 -2.620 5.059 1.00 0.37 H new ATOM 0 HD21 ASN A 36 0.906 -6.139 5.595 1.00 1.44 H new ATOM 0 HD22 ASN A 36 1.242 -4.535 6.254 1.00 1.44 H new ATOM 576 N LEU A 37 -1.675 -3.860 2.471 1.00 0.28 N ATOM 577 CA LEU A 37 -3.085 -4.235 2.442 1.00 0.31 C ATOM 578 C LEU A 37 -3.508 -4.919 3.736 1.00 0.33 C ATOM 579 O LEU A 37 -4.699 -5.061 4.010 1.00 0.40 O ATOM 580 CB LEU A 37 -3.364 -5.165 1.249 1.00 0.33 C ATOM 581 CG LEU A 37 -3.618 -4.476 -0.098 1.00 0.41 C ATOM 582 CD1 LEU A 37 -5.060 -4.017 -0.188 1.00 0.59 C ATOM 583 CD2 LEU A 37 -2.685 -3.299 -0.299 1.00 0.54 C ATOM 0 H LEU A 37 -1.073 -4.473 1.921 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.668 -3.320 2.334 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.516 -5.840 1.135 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.231 -5.780 1.489 1.00 0.33 H new ATOM 0 HG LEU A 37 -3.422 -5.202 -0.888 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -5.227 -3.530 -1.148 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -5.722 -4.878 -0.098 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -5.269 -3.313 0.617 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -2.890 -2.832 -1.262 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -2.841 -2.571 0.497 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -1.652 -3.646 -0.277 1.00 0.54 H new ATOM 595 N THR A 38 -2.531 -5.321 4.530 1.00 0.32 N ATOM 596 CA THR A 38 -2.803 -6.076 5.744 1.00 0.37 C ATOM 597 C THR A 38 -2.638 -5.232 7.005 1.00 0.35 C ATOM 598 O THR A 38 -3.624 -4.828 7.619 1.00 0.40 O ATOM 599 CB THR A 38 -1.896 -7.319 5.829 1.00 0.43 C ATOM 600 OG1 THR A 38 -2.220 -8.213 4.761 1.00 0.53 O ATOM 601 CG2 THR A 38 -2.052 -8.036 7.164 1.00 0.48 C ATOM 0 H THR A 38 -1.542 -5.138 4.357 1.00 0.32 H new ATOM 0 HA THR A 38 -3.846 -6.389 5.688 1.00 0.37 H new ATOM 0 HB THR A 38 -0.860 -6.992 5.745 1.00 0.43 H new ATOM 0 HG1 THR A 38 -1.561 -8.938 4.730 1.00 0.53 H new ATOM 0 HG21 THR A 38 -1.397 -8.907 7.188 1.00 0.48 H new ATOM 0 HG22 THR A 38 -1.784 -7.358 7.974 1.00 0.48 H new ATOM 0 HG23 THR A 38 -3.087 -8.356 7.286 1.00 0.48 H new ATOM 609 N ASP A 39 -1.395 -4.956 7.374 1.00 0.34 N ATOM 610 CA ASP A 39 -1.095 -4.359 8.672 1.00 0.36 C ATOM 611 C ASP A 39 -0.877 -2.851 8.574 1.00 0.32 C ATOM 612 O ASP A 39 -0.468 -2.210 9.540 1.00 0.48 O ATOM 613 CB ASP A 39 0.123 -5.048 9.300 1.00 0.45 C ATOM 614 CG ASP A 39 1.344 -5.020 8.399 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.591 -3.982 7.753 1.00 1.44 O ATOM 616 OD2 ASP A 39 2.031 -6.056 8.284 1.00 1.32 O ATOM 0 H ASP A 39 -0.576 -5.135 6.794 1.00 0.34 H new ATOM 0 HA ASP A 39 -1.961 -4.512 9.316 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.363 -4.561 10.245 1.00 0.45 H new ATOM 0 HB3 ASP A 39 -0.129 -6.083 9.530 1.00 0.45 H new ATOM 621 N GLY A 40 -1.144 -2.295 7.401 1.00 0.28 N ATOM 622 CA GLY A 40 -1.068 -0.854 7.212 1.00 0.27 C ATOM 623 C GLY A 40 0.351 -0.308 7.203 1.00 0.29 C ATOM 624 O GLY A 40 0.548 0.895 7.380 1.00 0.39 O ATOM 0 H GLY A 40 -1.414 -2.818 6.568 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.553 -0.595 6.271 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.631 -0.363 8.006 1.00 0.27 H new ATOM 628 N SER A 41 1.341 -1.175 7.010 1.00 0.29 N ATOM 629 CA SER A 41 2.721 -0.717 6.886 1.00 0.38 C ATOM 630 C SER A 41 2.896 0.121 5.625 1.00 0.32 C ATOM 631 O SER A 41 2.994 -0.410 4.518 1.00 0.32 O ATOM 632 CB SER A 41 3.696 -1.897 6.867 1.00 0.51 C ATOM 633 OG SER A 41 3.685 -2.593 8.100 1.00 0.93 O ATOM 0 H SER A 41 1.217 -2.185 6.937 1.00 0.29 H new ATOM 0 HA SER A 41 2.945 -0.100 7.756 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.429 -2.579 6.060 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.703 -1.536 6.660 1.00 0.51 H new ATOM 0 HG SER A 41 2.774 -2.894 8.297 1.00 0.93 H new ATOM 639 N VAL A 42 2.899 1.431 5.805 1.00 0.32 N ATOM 640 CA VAL A 42 3.142 2.363 4.715 1.00 0.28 C ATOM 641 C VAL A 42 4.634 2.623 4.588 1.00 0.29 C ATOM 642 O VAL A 42 5.272 3.153 5.502 1.00 0.35 O ATOM 643 CB VAL A 42 2.406 3.705 4.915 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.681 4.651 3.749 1.00 0.26 C ATOM 645 CG2 VAL A 42 0.913 3.478 5.079 1.00 0.31 C ATOM 0 H VAL A 42 2.734 1.878 6.707 1.00 0.32 H new ATOM 0 HA VAL A 42 2.755 1.905 3.804 1.00 0.28 H new ATOM 0 HB VAL A 42 2.784 4.168 5.826 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.153 5.591 3.910 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.752 4.844 3.682 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.335 4.195 2.821 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.412 4.436 5.219 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.519 2.989 4.188 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.735 2.845 5.948 1.00 0.31 H new ATOM 655 N LEU A 43 5.187 2.237 3.459 1.00 0.28 N ATOM 656 CA LEU A 43 6.616 2.354 3.223 1.00 0.33 C ATOM 657 C LEU A 43 6.846 3.125 1.935 1.00 0.30 C ATOM 658 O LEU A 43 5.888 3.564 1.317 1.00 0.29 O ATOM 659 CB LEU A 43 7.229 0.956 3.153 1.00 0.44 C ATOM 660 CG LEU A 43 6.953 0.086 4.384 1.00 0.51 C ATOM 661 CD1 LEU A 43 7.503 -1.314 4.186 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.547 0.720 5.639 1.00 0.54 C ATOM 0 H LEU A 43 4.665 1.835 2.680 1.00 0.28 H new ATOM 0 HA LEU A 43 7.096 2.897 4.037 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.845 0.447 2.269 1.00 0.44 H new ATOM 0 HB3 LEU A 43 8.307 1.050 3.023 1.00 0.44 H new ATOM 0 HG LEU A 43 5.873 0.016 4.513 1.00 0.51 H new ATOM 0 HD11 LEU A 43 7.296 -1.915 5.072 1.00 0.63 H new ATOM 0 HD12 LEU A 43 7.029 -1.772 3.318 1.00 0.63 H new ATOM 0 HD13 LEU A 43 8.580 -1.263 4.026 1.00 0.63 H new ATOM 0 HD21 LEU A 43 7.339 0.085 6.501 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.625 0.826 5.518 1.00 0.54 H new ATOM 0 HD23 LEU A 43 7.102 1.702 5.796 1.00 0.54 H new ATOM 674 N CYS A 44 8.096 3.323 1.534 1.00 0.40 N ATOM 675 CA CYS A 44 8.341 4.069 0.295 1.00 0.46 C ATOM 676 C CYS A 44 9.539 3.522 -0.468 1.00 0.61 C ATOM 677 O CYS A 44 10.177 2.572 -0.028 1.00 0.71 O ATOM 678 CB CYS A 44 8.536 5.568 0.579 1.00 0.52 C ATOM 679 SG CYS A 44 10.168 6.050 1.190 1.00 0.71 S ATOM 0 H CYS A 44 8.929 2.995 2.022 1.00 0.40 H new ATOM 0 HA CYS A 44 7.457 3.943 -0.330 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.335 6.121 -0.339 1.00 0.52 H new ATOM 0 HB3 CYS A 44 7.789 5.880 1.309 1.00 0.52 H new ATOM 0 HG CYS A 44 10.187 5.968 2.487 1.00 0.71 H new ATOM 684 N GLY A 45 9.821 4.112 -1.621 1.00 0.68 N ATOM 685 CA GLY A 45 11.022 3.766 -2.353 1.00 0.87 C ATOM 686 C GLY A 45 10.746 2.997 -3.626 1.00 1.23 C ATOM 687 O GLY A 45 10.620 1.774 -3.602 1.00 2.12 O ATOM 0 H GLY A 45 9.239 4.824 -2.062 1.00 0.68 H new ATOM 0 HA2 GLY A 45 11.565 4.679 -2.599 1.00 0.87 H new ATOM 0 HA3 GLY A 45 11.672 3.171 -1.711 1.00 0.87 H new ATOM 811 N GLY A 53 16.351 9.334 0.044 1.00 1.40 N ATOM 812 CA GLY A 53 14.933 9.047 0.030 1.00 1.25 C ATOM 813 C GLY A 53 14.652 7.583 -0.224 1.00 1.07 C ATOM 814 O GLY A 53 14.827 7.090 -1.339 1.00 1.28 O ATOM 0 HA2 GLY A 53 14.495 9.340 0.984 1.00 1.25 H new ATOM 0 HA3 GLY A 53 14.449 9.648 -0.740 1.00 1.25 H new ATOM 818 N GLY A 54 14.226 6.890 0.816 1.00 0.86 N ATOM 819 CA GLY A 54 13.910 5.483 0.699 1.00 0.86 C ATOM 820 C GLY A 54 14.831 4.642 1.565 1.00 0.91 C ATOM 821 O GLY A 54 15.739 5.182 2.197 1.00 1.55 O ATOM 0 H GLY A 54 14.092 7.280 1.749 1.00 0.86 H new ATOM 0 HA2 GLY A 54 12.874 5.314 0.993 1.00 0.86 H new ATOM 0 HA3 GLY A 54 14.000 5.172 -0.342 1.00 0.86 H new ATOM 825 N ASN A 55 14.608 3.332 1.607 1.00 0.89 N ATOM 826 CA ASN A 55 15.284 2.472 2.583 1.00 0.87 C ATOM 827 C ASN A 55 14.923 1.006 2.313 1.00 1.01 C ATOM 828 O ASN A 55 14.175 0.716 1.380 1.00 1.21 O ATOM 829 CB ASN A 55 14.849 2.887 4.002 1.00 0.83 C ATOM 830 CG ASN A 55 15.722 2.319 5.105 1.00 1.45 C ATOM 831 OD1 ASN A 55 15.456 1.235 5.624 1.00 2.39 O ATOM 832 ND2 ASN A 55 16.762 3.046 5.473 1.00 1.63 N ATOM 0 H ASN A 55 13.969 2.841 0.982 1.00 0.89 H new ATOM 0 HA ASN A 55 16.365 2.582 2.496 1.00 0.87 H new ATOM 0 HB2 ASN A 55 14.857 3.975 4.070 1.00 0.83 H new ATOM 0 HB3 ASN A 55 13.820 2.565 4.164 1.00 0.83 H new ATOM 0 HD21 ASN A 55 17.380 2.714 6.213 1.00 1.63 H new ATOM 0 HD22 ASN A 55 16.947 3.939 5.017 1.00 1.63 H new ATOM 839 N GLY A 56 15.418 0.093 3.142 1.00 1.23 N ATOM 840 CA GLY A 56 15.167 -1.326 2.938 1.00 1.44 C ATOM 841 C GLY A 56 13.905 -1.818 3.630 1.00 1.14 C ATOM 842 O GLY A 56 13.671 -3.022 3.708 1.00 1.07 O ATOM 0 H GLY A 56 15.992 0.310 3.957 1.00 1.23 H new ATOM 0 HA2 GLY A 56 15.088 -1.524 1.869 1.00 1.44 H new ATOM 0 HA3 GLY A 56 16.021 -1.896 3.306 1.00 1.44 H new ATOM 846 N HIS A 57 13.103 -0.882 4.140 1.00 1.06 N ATOM 847 CA HIS A 57 11.816 -1.195 4.785 1.00 0.77 C ATOM 848 C HIS A 57 10.957 -2.176 3.987 1.00 0.66 C ATOM 849 O HIS A 57 10.381 -3.099 4.561 1.00 0.55 O ATOM 850 CB HIS A 57 10.996 0.082 5.074 1.00 0.68 C ATOM 851 CG HIS A 57 11.011 1.144 4.018 1.00 0.72 C ATOM 852 ND1 HIS A 57 11.923 1.243 2.989 1.00 1.73 N ATOM 853 CD2 HIS A 57 10.229 2.233 3.919 1.00 0.82 C ATOM 854 CE1 HIS A 57 11.676 2.383 2.337 1.00 1.92 C ATOM 855 NE2 HIS A 57 10.656 3.014 2.864 1.00 1.19 N ATOM 0 H HIS A 57 13.322 0.114 4.120 1.00 1.06 H new ATOM 0 HA HIS A 57 12.082 -1.678 5.725 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.960 -0.211 5.248 1.00 0.68 H new ATOM 0 HB3 HIS A 57 11.364 0.520 6.002 1.00 0.68 H new ATOM 0 HD2 HIS A 57 9.395 2.462 4.566 1.00 0.82 H new ATOM 0 HE1 HIS A 57 12.242 2.737 1.488 1.00 1.92 H new ATOM 0 HE2 HIS A 57 10.258 3.902 2.557 1.00 1.19 H new ATOM 863 N ALA A 58 10.858 -1.976 2.678 1.00 0.78 N ATOM 864 CA ALA A 58 10.031 -2.845 1.844 1.00 0.75 C ATOM 865 C ALA A 58 10.560 -4.273 1.862 1.00 0.66 C ATOM 866 O ALA A 58 9.790 -5.232 1.938 1.00 0.54 O ATOM 867 CB ALA A 58 9.965 -2.312 0.419 1.00 0.97 C ATOM 0 H ALA A 58 11.334 -1.228 2.174 1.00 0.78 H new ATOM 0 HA ALA A 58 9.021 -2.853 2.254 1.00 0.75 H new ATOM 0 HB1 ALA A 58 9.345 -2.972 -0.188 1.00 0.97 H new ATOM 0 HB2 ALA A 58 9.533 -1.311 0.424 1.00 0.97 H new ATOM 0 HB3 ALA A 58 10.970 -2.271 -0.001 1.00 0.97 H new ATOM 873 N LEU A 59 11.879 -4.400 1.824 1.00 0.78 N ATOM 874 CA LEU A 59 12.533 -5.699 1.911 1.00 0.79 C ATOM 875 C LEU A 59 12.277 -6.319 3.276 1.00 0.66 C ATOM 876 O LEU A 59 11.914 -7.490 3.386 1.00 0.63 O ATOM 877 CB LEU A 59 14.034 -5.540 1.692 1.00 0.98 C ATOM 878 CG LEU A 59 14.841 -6.835 1.767 1.00 1.75 C ATOM 879 CD1 LEU A 59 14.442 -7.781 0.647 1.00 2.28 C ATOM 880 CD2 LEU A 59 16.330 -6.540 1.710 1.00 2.31 C ATOM 0 H LEU A 59 12.522 -3.613 1.733 1.00 0.78 H new ATOM 0 HA LEU A 59 12.125 -6.352 1.140 1.00 0.79 H new ATOM 0 HB2 LEU A 59 14.197 -5.085 0.715 1.00 0.98 H new ATOM 0 HB3 LEU A 59 14.422 -4.845 2.436 1.00 0.98 H new ATOM 0 HG LEU A 59 14.622 -7.319 2.719 1.00 1.75 H new ATOM 0 HD11 LEU A 59 15.028 -8.697 0.718 1.00 2.28 H new ATOM 0 HD12 LEU A 59 13.382 -8.021 0.733 1.00 2.28 H new ATOM 0 HD13 LEU A 59 14.629 -7.305 -0.315 1.00 2.28 H new ATOM 0 HD21 LEU A 59 16.888 -7.474 1.765 1.00 2.31 H new ATOM 0 HD22 LEU A 59 16.565 -6.031 0.775 1.00 2.31 H new ATOM 0 HD23 LEU A 59 16.607 -5.902 2.549 1.00 2.31 H new ATOM 892 N GLU A 60 12.484 -5.516 4.311 1.00 0.66 N ATOM 893 CA GLU A 60 12.198 -5.916 5.684 1.00 0.65 C ATOM 894 C GLU A 60 10.777 -6.447 5.818 1.00 0.51 C ATOM 895 O GLU A 60 10.567 -7.517 6.382 1.00 0.57 O ATOM 896 CB GLU A 60 12.407 -4.737 6.632 1.00 0.76 C ATOM 897 CG GLU A 60 13.861 -4.330 6.776 1.00 0.99 C ATOM 898 CD GLU A 60 14.684 -5.390 7.475 1.00 1.98 C ATOM 899 OE1 GLU A 60 15.036 -6.397 6.832 1.00 2.58 O ATOM 900 OE2 GLU A 60 14.977 -5.220 8.678 1.00 2.64 O ATOM 0 H GLU A 60 12.855 -4.570 4.224 1.00 0.66 H new ATOM 0 HA GLU A 60 12.887 -6.717 5.951 1.00 0.65 H new ATOM 0 HB2 GLU A 60 11.833 -3.884 6.271 1.00 0.76 H new ATOM 0 HB3 GLU A 60 12.011 -4.995 7.614 1.00 0.76 H new ATOM 0 HG2 GLU A 60 14.282 -4.137 5.789 1.00 0.99 H new ATOM 0 HG3 GLU A 60 13.922 -3.397 7.336 1.00 0.99 H new ATOM 907 N HIS A 61 9.813 -5.702 5.288 1.00 0.43 N ATOM 908 CA HIS A 61 8.413 -6.118 5.312 1.00 0.41 C ATOM 909 C HIS A 61 8.237 -7.459 4.611 1.00 0.38 C ATOM 910 O HIS A 61 7.604 -8.373 5.144 1.00 0.40 O ATOM 911 CB HIS A 61 7.526 -5.066 4.633 1.00 0.57 C ATOM 912 CG HIS A 61 6.069 -5.435 4.609 1.00 0.94 C ATOM 913 ND1 HIS A 61 5.328 -5.665 5.748 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.229 -5.646 3.568 1.00 1.45 C ATOM 915 CE1 HIS A 61 4.097 -6.001 5.410 1.00 1.72 C ATOM 916 NE2 HIS A 61 4.009 -5.997 4.090 1.00 1.60 N ATOM 0 H HIS A 61 9.975 -4.803 4.834 1.00 0.43 H new ATOM 0 HA HIS A 61 8.113 -6.220 6.355 1.00 0.41 H new ATOM 0 HB2 HIS A 61 7.643 -4.114 5.151 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.872 -4.916 3.610 1.00 0.57 H new ATOM 0 HD2 HIS A 61 5.474 -5.555 2.520 1.00 1.45 H new ATOM 0 HE1 HIS A 61 3.297 -6.239 6.095 1.00 1.72 H new ATOM 0 HE2 HIS A 61 3.173 -6.218 3.549 1.00 1.60 H new ATOM 925 N TYR A 62 8.812 -7.556 3.420 1.00 0.44 N ATOM 926 CA TYR A 62 8.710 -8.748 2.589 1.00 0.54 C ATOM 927 C TYR A 62 9.279 -9.969 3.307 1.00 0.59 C ATOM 928 O TYR A 62 8.701 -11.052 3.262 1.00 0.67 O ATOM 929 CB TYR A 62 9.454 -8.504 1.270 1.00 0.69 C ATOM 930 CG TYR A 62 9.362 -9.634 0.271 1.00 0.97 C ATOM 931 CD1 TYR A 62 8.286 -9.728 -0.599 1.00 1.08 C ATOM 932 CD2 TYR A 62 10.359 -10.599 0.190 1.00 1.39 C ATOM 933 CE1 TYR A 62 8.203 -10.750 -1.522 1.00 1.55 C ATOM 934 CE2 TYR A 62 10.282 -11.625 -0.729 1.00 1.89 C ATOM 935 CZ TYR A 62 9.204 -11.696 -1.582 1.00 1.97 C ATOM 936 OH TYR A 62 9.125 -12.718 -2.497 1.00 2.50 O ATOM 0 H TYR A 62 9.364 -6.808 3.001 1.00 0.44 H new ATOM 0 HA TYR A 62 7.659 -8.949 2.384 1.00 0.54 H new ATOM 0 HB2 TYR A 62 9.060 -7.598 0.809 1.00 0.69 H new ATOM 0 HB3 TYR A 62 10.505 -8.318 1.491 1.00 0.69 H new ATOM 0 HD1 TYR A 62 7.500 -8.989 -0.553 1.00 1.08 H new ATOM 0 HD2 TYR A 62 11.207 -10.545 0.857 1.00 1.39 H new ATOM 0 HE1 TYR A 62 7.359 -10.809 -2.193 1.00 1.55 H new ATOM 0 HE2 TYR A 62 11.064 -12.369 -0.779 1.00 1.89 H new ATOM 0 HH TYR A 62 9.911 -13.297 -2.409 1.00 2.50 H new ATOM 946 N ARG A 63 10.408 -9.784 3.969 1.00 0.60 N ATOM 947 CA ARG A 63 11.092 -10.875 4.648 1.00 0.73 C ATOM 948 C ARG A 63 10.476 -11.192 6.010 1.00 0.75 C ATOM 949 O ARG A 63 10.392 -12.358 6.400 1.00 0.87 O ATOM 950 CB ARG A 63 12.569 -10.544 4.806 1.00 0.80 C ATOM 951 CG ARG A 63 13.350 -10.720 3.518 1.00 1.19 C ATOM 952 CD ARG A 63 14.766 -10.186 3.641 1.00 1.33 C ATOM 953 NE ARG A 63 15.507 -10.798 4.747 1.00 1.71 N ATOM 954 CZ ARG A 63 16.518 -10.200 5.377 1.00 2.01 C ATOM 955 NH1 ARG A 63 16.896 -8.981 5.016 1.00 1.88 N ATOM 956 NH2 ARG A 63 17.152 -10.818 6.367 1.00 2.76 N ATOM 0 H ARG A 63 10.875 -8.881 4.052 1.00 0.60 H new ATOM 0 HA ARG A 63 10.978 -11.765 4.029 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.672 -9.515 5.150 1.00 0.80 H new ATOM 0 HB3 ARG A 63 13.000 -11.183 5.577 1.00 0.80 H new ATOM 0 HG2 ARG A 63 13.382 -11.777 3.253 1.00 1.19 H new ATOM 0 HG3 ARG A 63 12.836 -10.204 2.707 1.00 1.19 H new ATOM 0 HD2 ARG A 63 15.300 -10.366 2.708 1.00 1.33 H new ATOM 0 HD3 ARG A 63 14.731 -9.106 3.786 1.00 1.33 H new ATOM 0 HE ARG A 63 15.234 -11.733 5.051 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.413 -8.501 4.256 1.00 1.88 H new ATOM 0 HH12 ARG A 63 17.670 -8.523 5.498 1.00 1.88 H new ATOM 0 HH21 ARG A 63 16.866 -11.756 6.649 1.00 2.76 H new ATOM 0 HH22 ARG A 63 17.925 -10.355 6.845 1.00 2.76 H new ATOM 970 N ASP A 64 10.054 -10.162 6.735 1.00 0.68 N ATOM 971 CA ASP A 64 9.536 -10.349 8.089 1.00 0.75 C ATOM 972 C ASP A 64 8.145 -10.967 8.080 1.00 0.75 C ATOM 973 O ASP A 64 7.935 -12.040 8.641 1.00 0.89 O ATOM 974 CB ASP A 64 9.515 -9.025 8.852 1.00 0.75 C ATOM 975 CG ASP A 64 8.937 -9.171 10.249 1.00 1.18 C ATOM 976 OD1 ASP A 64 9.360 -10.087 10.985 1.00 1.43 O ATOM 977 OD2 ASP A 64 8.067 -8.359 10.625 1.00 1.85 O ATOM 0 H ASP A 64 10.059 -9.194 6.412 1.00 0.68 H new ATOM 0 HA ASP A 64 10.209 -11.040 8.597 1.00 0.75 H new ATOM 0 HB2 ASP A 64 10.529 -8.632 8.921 1.00 0.75 H new ATOM 0 HB3 ASP A 64 8.928 -8.296 8.293 1.00 0.75 H new ATOM 982 N MET A 65 7.197 -10.304 7.438 1.00 0.63 N ATOM 983 CA MET A 65 5.830 -10.808 7.390 1.00 0.67 C ATOM 984 C MET A 65 5.502 -11.329 6.007 1.00 0.65 C ATOM 985 O MET A 65 4.893 -12.386 5.851 1.00 0.80 O ATOM 986 CB MET A 65 4.828 -9.725 7.771 1.00 0.68 C ATOM 987 CG MET A 65 5.023 -9.194 9.179 1.00 0.75 C ATOM 988 SD MET A 65 4.613 -10.415 10.444 1.00 1.35 S ATOM 989 CE MET A 65 2.843 -10.575 10.210 1.00 1.84 C ATOM 0 H MET A 65 7.344 -9.423 6.946 1.00 0.63 H new ATOM 0 HA MET A 65 5.757 -11.622 8.111 1.00 0.67 H new ATOM 0 HB2 MET A 65 4.910 -8.899 7.064 1.00 0.68 H new ATOM 0 HB3 MET A 65 3.818 -10.125 7.678 1.00 0.68 H new ATOM 0 HG2 MET A 65 6.059 -8.880 9.305 1.00 0.75 H new ATOM 0 HG3 MET A 65 4.402 -8.309 9.319 1.00 0.75 H new ATOM 0 HE1 MET A 65 2.376 -10.862 11.152 1.00 1.84 H new ATOM 0 HE2 MET A 65 2.432 -9.622 9.877 1.00 1.84 H new ATOM 0 HE3 MET A 65 2.643 -11.339 9.458 1.00 1.84 H new ATOM 999 N GLY A 66 5.934 -10.581 5.007 1.00 0.56 N ATOM 1000 CA GLY A 66 5.571 -10.877 3.649 1.00 0.64 C ATOM 1001 C GLY A 66 4.492 -9.941 3.173 1.00 0.70 C ATOM 1002 O GLY A 66 4.775 -8.794 2.830 1.00 1.36 O ATOM 0 H GLY A 66 6.537 -9.766 5.119 1.00 0.56 H new ATOM 0 HA2 GLY A 66 6.446 -10.789 3.005 1.00 0.64 H new ATOM 0 HA3 GLY A 66 5.224 -11.908 3.576 1.00 0.64 H new ATOM 1006 N TYR A 67 3.255 -10.429 3.225 1.00 0.55 N ATOM 1007 CA TYR A 67 2.075 -9.710 2.735 1.00 0.49 C ATOM 1008 C TYR A 67 2.389 -8.906 1.477 1.00 0.53 C ATOM 1009 O TYR A 67 2.559 -7.686 1.519 1.00 0.82 O ATOM 1010 CB TYR A 67 1.484 -8.835 3.840 1.00 0.64 C ATOM 1011 CG TYR A 67 0.897 -9.660 4.963 1.00 1.61 C ATOM 1012 CD1 TYR A 67 -0.145 -10.544 4.714 1.00 2.31 C ATOM 1013 CD2 TYR A 67 1.387 -9.571 6.261 1.00 2.04 C ATOM 1014 CE1 TYR A 67 -0.684 -11.317 5.722 1.00 3.28 C ATOM 1015 CE2 TYR A 67 0.849 -10.342 7.277 1.00 2.98 C ATOM 1016 CZ TYR A 67 -0.186 -11.213 7.000 1.00 3.57 C ATOM 1017 OH TYR A 67 -0.721 -11.987 8.003 1.00 4.55 O ATOM 0 H TYR A 67 3.038 -11.347 3.613 1.00 0.55 H new ATOM 0 HA TYR A 67 1.321 -10.446 2.454 1.00 0.49 H new ATOM 0 HB2 TYR A 67 2.260 -8.181 4.238 1.00 0.64 H new ATOM 0 HB3 TYR A 67 0.710 -8.193 3.419 1.00 0.64 H new ATOM 0 HD1 TYR A 67 -0.541 -10.628 3.713 1.00 2.31 H new ATOM 0 HD2 TYR A 67 2.198 -8.892 6.479 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -1.493 -12.000 5.509 1.00 3.28 H new ATOM 0 HE2 TYR A 67 1.237 -10.263 8.282 1.00 2.98 H new ATOM 0 HH TYR A 67 -0.258 -11.796 8.846 1.00 4.55 H new ATOM 1027 N PRO A 68 2.454 -9.613 0.338 1.00 0.46 N ATOM 1028 CA PRO A 68 2.920 -9.073 -0.948 1.00 0.59 C ATOM 1029 C PRO A 68 1.930 -8.135 -1.638 1.00 0.49 C ATOM 1030 O PRO A 68 1.800 -8.169 -2.865 1.00 0.64 O ATOM 1031 CB PRO A 68 3.099 -10.329 -1.813 1.00 0.80 C ATOM 1032 CG PRO A 68 2.996 -11.485 -0.877 1.00 0.88 C ATOM 1033 CD PRO A 68 2.089 -11.027 0.216 1.00 0.59 C ATOM 0 HA PRO A 68 3.816 -8.470 -0.800 1.00 0.59 H new ATOM 0 HB2 PRO A 68 2.333 -10.383 -2.587 1.00 0.80 H new ATOM 0 HB3 PRO A 68 4.064 -10.321 -2.319 1.00 0.80 H new ATOM 0 HG2 PRO A 68 2.593 -12.364 -1.380 1.00 0.88 H new ATOM 0 HG3 PRO A 68 3.975 -11.763 -0.486 1.00 0.88 H new ATOM 0 HD2 PRO A 68 1.038 -11.157 -0.044 1.00 0.59 H new ATOM 0 HD3 PRO A 68 2.258 -11.574 1.143 1.00 0.59 H new ATOM 1041 N LEU A 69 1.255 -7.298 -0.874 1.00 0.34 N ATOM 1042 CA LEU A 69 0.272 -6.387 -1.437 1.00 0.28 C ATOM 1043 C LEU A 69 0.359 -5.030 -0.760 1.00 0.24 C ATOM 1044 O LEU A 69 0.257 -4.933 0.463 1.00 0.27 O ATOM 1045 CB LEU A 69 -1.134 -6.964 -1.274 1.00 0.34 C ATOM 1046 CG LEU A 69 -1.408 -8.238 -2.069 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -2.569 -8.997 -1.455 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.690 -7.907 -3.525 1.00 0.43 C ATOM 0 H LEU A 69 1.368 -7.228 0.137 1.00 0.34 H new ATOM 0 HA LEU A 69 0.483 -6.262 -2.499 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -1.305 -7.170 -0.217 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.858 -6.206 -1.572 1.00 0.34 H new ATOM 0 HG LEU A 69 -0.522 -8.872 -2.032 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -2.756 -9.904 -2.030 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -2.326 -9.263 -0.426 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -3.461 -8.370 -1.467 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -1.883 -8.827 -4.077 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.562 -7.256 -3.588 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.827 -7.400 -3.956 1.00 0.43 H new ATOM 1060 N ALA A 70 0.542 -3.989 -1.555 1.00 0.22 N ATOM 1061 CA ALA A 70 0.628 -2.637 -1.033 1.00 0.24 C ATOM 1062 C ALA A 70 0.075 -1.643 -2.045 1.00 0.27 C ATOM 1063 O ALA A 70 0.307 -1.775 -3.243 1.00 0.32 O ATOM 1064 CB ALA A 70 2.070 -2.305 -0.682 1.00 0.27 C ATOM 0 H ALA A 70 0.634 -4.056 -2.569 1.00 0.22 H new ATOM 0 HA ALA A 70 0.027 -2.568 -0.126 1.00 0.24 H new ATOM 0 HB1 ALA A 70 2.125 -1.289 -0.291 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.431 -3.004 0.073 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.689 -2.384 -1.575 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.663 -0.659 -1.562 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.253 0.348 -2.429 1.00 0.29 C ATOM 1072 C VAL A 71 -0.252 1.459 -2.686 1.00 0.30 C ATOM 1073 O VAL A 71 0.215 2.108 -1.749 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.541 0.951 -1.811 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -3.112 2.040 -2.709 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.579 -0.133 -1.570 1.00 0.32 C ATOM 0 H VAL A 71 -0.869 -0.535 -0.571 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.520 -0.139 -3.367 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.278 1.398 -0.852 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -4.015 2.449 -2.256 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.376 2.834 -2.831 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.355 1.617 -3.684 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.475 0.311 -1.136 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.833 -0.611 -2.516 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.175 -0.878 -0.884 1.00 0.32 H new ATOM 1086 N LYS A 72 0.093 1.660 -3.953 1.00 0.33 N ATOM 1087 CA LYS A 72 1.015 2.715 -4.328 1.00 0.36 C ATOM 1088 C LYS A 72 0.316 4.059 -4.208 1.00 0.37 C ATOM 1089 O LYS A 72 -0.393 4.501 -5.113 1.00 0.42 O ATOM 1090 CB LYS A 72 1.535 2.505 -5.746 1.00 0.43 C ATOM 1091 CG LYS A 72 2.619 3.488 -6.136 1.00 0.50 C ATOM 1092 CD LYS A 72 3.015 3.318 -7.588 1.00 0.89 C ATOM 1093 CE LYS A 72 4.059 4.334 -8.003 1.00 0.91 C ATOM 1094 NZ LYS A 72 4.411 4.193 -9.438 1.00 1.54 N ATOM 0 H LYS A 72 -0.254 1.104 -4.735 1.00 0.33 H new ATOM 0 HA LYS A 72 1.872 2.693 -3.655 1.00 0.36 H new ATOM 0 HB2 LYS A 72 1.924 1.491 -5.837 1.00 0.43 H new ATOM 0 HB3 LYS A 72 0.705 2.592 -6.447 1.00 0.43 H new ATOM 0 HG2 LYS A 72 2.268 4.506 -5.969 1.00 0.50 H new ATOM 0 HG3 LYS A 72 3.491 3.343 -5.499 1.00 0.50 H new ATOM 0 HD2 LYS A 72 3.403 2.312 -7.745 1.00 0.89 H new ATOM 0 HD3 LYS A 72 2.134 3.422 -8.221 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.684 5.340 -7.816 1.00 0.91 H new ATOM 0 HE3 LYS A 72 4.954 4.209 -7.393 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 5.128 4.903 -9.691 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 4.791 3.240 -9.610 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 3.561 4.337 -10.020 1.00 1.54 H new ATOM 1108 N LEU A 73 0.522 4.690 -3.072 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.167 5.916 -2.719 1.00 0.33 C ATOM 1110 C LEU A 73 0.209 7.053 -3.652 1.00 0.35 C ATOM 1111 O LEU A 73 1.289 7.063 -4.248 1.00 0.38 O ATOM 1112 CB LEU A 73 0.161 6.270 -1.277 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.042 5.118 -0.296 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.711 5.364 0.994 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.522 4.923 -0.015 1.00 0.35 C ATOM 0 H LEU A 73 1.177 4.365 -2.361 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.241 5.760 -2.822 1.00 0.33 H new ATOM 0 HB2 LEU A 73 1.197 6.603 -1.222 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.461 7.111 -0.969 1.00 0.32 H new ATOM 0 HG LEU A 73 0.354 4.210 -0.750 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.549 4.528 1.675 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.776 5.458 0.781 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.351 6.283 1.456 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.654 4.099 0.686 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -1.934 5.835 0.416 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -2.042 4.695 -0.945 1.00 0.35 H new ATOM 1127 N GLY A 74 -0.687 8.015 -3.763 1.00 0.37 N ATOM 1128 CA GLY A 74 -0.510 9.090 -4.716 1.00 0.41 C ATOM 1129 C GLY A 74 -1.289 8.845 -5.996 1.00 0.43 C ATOM 1130 O GLY A 74 -1.481 9.754 -6.800 1.00 0.49 O ATOM 0 H GLY A 74 -1.540 8.073 -3.207 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -0.834 10.029 -4.268 1.00 0.41 H new ATOM 0 HA3 GLY A 74 0.549 9.197 -4.950 1.00 0.41 H new ATOM 1134 N THR A 75 -1.749 7.612 -6.178 1.00 0.43 N ATOM 1135 CA THR A 75 -2.495 7.241 -7.377 1.00 0.47 C ATOM 1136 C THR A 75 -3.941 6.921 -7.021 1.00 0.43 C ATOM 1137 O THR A 75 -4.703 6.403 -7.839 1.00 0.43 O ATOM 1138 CB THR A 75 -1.871 6.013 -8.069 1.00 0.50 C ATOM 1139 OG1 THR A 75 -1.966 4.873 -7.203 1.00 0.44 O ATOM 1140 CG2 THR A 75 -0.411 6.265 -8.428 1.00 0.62 C ATOM 0 H THR A 75 -1.619 6.852 -5.511 1.00 0.43 H new ATOM 0 HA THR A 75 -2.457 8.089 -8.060 1.00 0.47 H new ATOM 0 HB THR A 75 -2.420 5.824 -8.991 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.467 5.047 -6.378 1.00 0.44 H new ATOM 0 HG21 THR A 75 0.002 5.381 -8.915 1.00 0.62 H new ATOM 0 HG22 THR A 75 -0.345 7.116 -9.105 1.00 0.62 H new ATOM 0 HG23 THR A 75 0.155 6.478 -7.521 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.309 7.235 -5.789 1.00 0.44 N ATOM 1149 CA ILE A 76 -5.621 6.894 -5.268 1.00 0.43 C ATOM 1150 C ILE A 76 -6.704 7.783 -5.863 1.00 0.46 C ATOM 1151 O ILE A 76 -6.774 8.981 -5.584 1.00 0.53 O ATOM 1152 CB ILE A 76 -5.639 6.991 -3.732 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -4.677 5.963 -3.144 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.049 6.789 -3.187 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -4.046 6.424 -1.858 1.00 0.47 C ATOM 0 H ILE A 76 -3.711 7.730 -5.127 1.00 0.44 H new ATOM 0 HA ILE A 76 -5.831 5.865 -5.558 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.315 7.989 -3.439 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.213 5.030 -2.967 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -3.894 5.747 -3.871 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.033 6.863 -2.100 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -7.709 7.556 -3.593 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.414 5.804 -3.479 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.372 5.652 -1.486 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.485 7.341 -2.036 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -4.824 6.613 -1.118 1.00 0.47 H new ATOM 1167 N THR A 77 -7.531 7.179 -6.693 1.00 0.45 N ATOM 1168 CA THR A 77 -8.639 7.869 -7.314 1.00 0.50 C ATOM 1169 C THR A 77 -9.877 6.962 -7.287 1.00 0.56 C ATOM 1170 O THR A 77 -9.738 5.749 -7.117 1.00 0.62 O ATOM 1171 CB THR A 77 -8.271 8.311 -8.760 1.00 0.51 C ATOM 1172 OG1 THR A 77 -8.510 9.715 -8.918 1.00 1.48 O ATOM 1173 CG2 THR A 77 -9.052 7.543 -9.816 1.00 1.27 C ATOM 0 H THR A 77 -7.452 6.196 -6.955 1.00 0.45 H new ATOM 0 HA THR A 77 -8.867 8.777 -6.756 1.00 0.50 H new ATOM 0 HB THR A 77 -7.213 8.091 -8.904 1.00 0.51 H new ATOM 0 HG1 THR A 77 -8.275 9.986 -9.830 1.00 1.48 H new ATOM 0 HG21 THR A 77 -8.759 7.888 -10.808 1.00 1.27 H new ATOM 0 HG22 THR A 77 -8.838 6.478 -9.724 1.00 1.27 H new ATOM 0 HG23 THR A 77 -10.119 7.712 -9.674 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.088 7.532 -7.419 1.00 0.65 N ATOM 1182 CA PRO A 78 -12.351 6.785 -7.294 1.00 0.73 C ATOM 1183 C PRO A 78 -12.387 5.515 -8.147 1.00 0.75 C ATOM 1184 O PRO A 78 -12.773 4.448 -7.662 1.00 0.98 O ATOM 1185 CB PRO A 78 -13.402 7.783 -7.779 1.00 0.88 C ATOM 1186 CG PRO A 78 -12.798 9.121 -7.536 1.00 1.04 C ATOM 1187 CD PRO A 78 -11.316 8.952 -7.714 1.00 0.74 C ATOM 0 HA PRO A 78 -12.507 6.434 -6.274 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -13.628 7.637 -8.835 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -14.339 7.667 -7.234 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -13.192 9.859 -8.235 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -13.031 9.477 -6.532 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -11.003 9.205 -8.727 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -10.756 9.596 -7.037 1.00 0.74 H new ATOM 1195 N ASP A 79 -11.985 5.650 -9.410 1.00 0.72 N ATOM 1196 CA ASP A 79 -11.925 4.521 -10.344 1.00 0.80 C ATOM 1197 C ASP A 79 -11.109 3.374 -9.765 1.00 0.73 C ATOM 1198 O ASP A 79 -11.530 2.217 -9.783 1.00 0.85 O ATOM 1199 CB ASP A 79 -11.301 4.970 -11.669 1.00 0.90 C ATOM 1200 CG ASP A 79 -11.027 3.813 -12.611 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -11.993 3.290 -13.211 1.00 2.05 O ATOM 1202 OD2 ASP A 79 -9.850 3.415 -12.746 1.00 1.64 O ATOM 0 H ASP A 79 -11.693 6.539 -9.815 1.00 0.72 H new ATOM 0 HA ASP A 79 -12.943 4.172 -10.516 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -11.968 5.680 -12.157 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -10.368 5.496 -11.466 1.00 0.90 H new ATOM 1207 N GLY A 80 -9.946 3.713 -9.245 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.079 2.730 -8.649 1.00 0.62 C ATOM 1209 C GLY A 80 -7.678 3.258 -8.482 1.00 0.52 C ATOM 1210 O GLY A 80 -7.238 4.126 -9.241 1.00 0.65 O ATOM 0 H GLY A 80 -9.583 4.666 -9.226 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -9.476 2.435 -7.678 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -9.060 1.835 -9.271 1.00 0.62 H new ATOM 1214 N ALA A 81 -6.983 2.750 -7.484 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.606 3.139 -7.239 1.00 0.38 C ATOM 1216 C ALA A 81 -4.665 2.121 -7.848 1.00 0.34 C ATOM 1217 O ALA A 81 -5.080 1.022 -8.221 1.00 0.35 O ATOM 1218 CB ALA A 81 -5.349 3.265 -5.748 1.00 0.50 C ATOM 0 H ALA A 81 -7.350 2.063 -6.826 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.428 4.109 -7.704 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -4.312 3.557 -5.581 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -6.012 4.021 -5.327 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -5.538 2.307 -5.264 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.406 2.493 -7.951 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.393 1.610 -8.501 1.00 0.34 C ATOM 1226 C ASP A 82 -1.819 0.759 -7.381 1.00 0.33 C ATOM 1227 O ASP A 82 -1.026 1.234 -6.574 1.00 0.53 O ATOM 1228 CB ASP A 82 -1.289 2.426 -9.185 1.00 0.45 C ATOM 1229 CG ASP A 82 -0.302 1.571 -9.960 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -0.663 1.077 -11.051 1.00 1.25 O ATOM 1231 OD2 ASP A 82 0.850 1.422 -9.505 1.00 1.77 O ATOM 0 H ASP A 82 -3.056 3.406 -7.660 1.00 0.34 H new ATOM 0 HA ASP A 82 -2.841 0.960 -9.252 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -1.747 3.146 -9.864 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -0.749 2.998 -8.430 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.267 -0.481 -7.297 1.00 0.34 N ATOM 1237 CA VAL A 83 -1.808 -1.381 -6.252 1.00 0.41 C ATOM 1238 C VAL A 83 -0.587 -2.147 -6.740 1.00 0.40 C ATOM 1239 O VAL A 83 -0.551 -2.605 -7.876 1.00 0.43 O ATOM 1240 CB VAL A 83 -2.915 -2.377 -5.838 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -2.464 -3.243 -4.668 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -4.203 -1.641 -5.495 1.00 0.70 C ATOM 0 H VAL A 83 -2.947 -0.888 -7.939 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.548 -0.783 -5.379 1.00 0.41 H new ATOM 0 HB VAL A 83 -3.110 -3.032 -6.687 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -3.262 -3.934 -4.398 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -1.577 -3.808 -4.954 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -2.230 -2.607 -3.814 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -4.968 -2.362 -5.207 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -4.021 -0.955 -4.668 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -4.544 -1.079 -6.365 1.00 0.70 H new ATOM 1252 N TYR A 84 0.416 -2.275 -5.895 1.00 0.41 N ATOM 1253 CA TYR A 84 1.630 -2.958 -6.280 1.00 0.42 C ATOM 1254 C TYR A 84 1.724 -4.297 -5.573 1.00 0.42 C ATOM 1255 O TYR A 84 1.500 -4.399 -4.366 1.00 0.44 O ATOM 1256 CB TYR A 84 2.850 -2.102 -5.954 1.00 0.48 C ATOM 1257 CG TYR A 84 4.031 -2.361 -6.860 1.00 0.82 C ATOM 1258 CD1 TYR A 84 4.085 -1.792 -8.126 1.00 1.24 C ATOM 1259 CD2 TYR A 84 5.091 -3.162 -6.454 1.00 1.74 C ATOM 1260 CE1 TYR A 84 5.159 -2.015 -8.961 1.00 1.81 C ATOM 1261 CE2 TYR A 84 6.171 -3.390 -7.288 1.00 2.45 C ATOM 1262 CZ TYR A 84 6.198 -2.813 -8.541 1.00 2.31 C ATOM 1263 OH TYR A 84 7.271 -3.027 -9.378 1.00 3.09 O ATOM 0 H TYR A 84 0.413 -1.916 -4.940 1.00 0.41 H new ATOM 0 HA TYR A 84 1.605 -3.130 -7.356 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.574 -1.050 -6.023 1.00 0.48 H new ATOM 0 HB3 TYR A 84 3.147 -2.287 -4.922 1.00 0.48 H new ATOM 0 HD1 TYR A 84 3.272 -1.165 -8.462 1.00 1.24 H new ATOM 0 HD2 TYR A 84 5.072 -3.613 -5.473 1.00 1.74 H new ATOM 0 HE1 TYR A 84 5.185 -1.564 -9.942 1.00 1.81 H new ATOM 0 HE2 TYR A 84 6.988 -4.016 -6.960 1.00 2.45 H new ATOM 0 HH TYR A 84 7.921 -3.611 -8.934 1.00 3.09 H new ATOM 1273 N SER A 85 2.045 -5.323 -6.334 1.00 0.43 N ATOM 1274 CA SER A 85 2.191 -6.656 -5.791 1.00 0.45 C ATOM 1275 C SER A 85 3.673 -6.964 -5.610 1.00 0.47 C ATOM 1276 O SER A 85 4.489 -6.595 -6.448 1.00 0.59 O ATOM 1277 CB SER A 85 1.527 -7.669 -6.733 1.00 0.51 C ATOM 1278 OG SER A 85 2.198 -7.734 -7.975 1.00 1.41 O ATOM 0 H SER A 85 2.211 -5.257 -7.338 1.00 0.43 H new ATOM 0 HA SER A 85 1.702 -6.722 -4.819 1.00 0.45 H new ATOM 0 HB2 SER A 85 1.525 -8.654 -6.267 1.00 0.51 H new ATOM 0 HB3 SER A 85 0.486 -7.390 -6.894 1.00 0.51 H new ATOM 0 HG SER A 85 1.947 -6.961 -8.523 1.00 1.41 H new ATOM 1284 N PHE A 86 4.026 -7.601 -4.505 1.00 0.47 N ATOM 1285 CA PHE A 86 5.415 -7.981 -4.263 1.00 0.54 C ATOM 1286 C PHE A 86 5.640 -9.437 -4.650 1.00 0.57 C ATOM 1287 O PHE A 86 6.764 -9.859 -4.910 1.00 0.70 O ATOM 1288 CB PHE A 86 5.795 -7.755 -2.798 1.00 0.60 C ATOM 1289 CG PHE A 86 5.809 -6.309 -2.394 1.00 1.16 C ATOM 1290 CD1 PHE A 86 6.937 -5.534 -2.603 1.00 1.30 C ATOM 1291 CD2 PHE A 86 4.700 -5.726 -1.806 1.00 2.19 C ATOM 1292 CE1 PHE A 86 6.960 -4.204 -2.232 1.00 2.20 C ATOM 1293 CE2 PHE A 86 4.716 -4.398 -1.432 1.00 3.16 C ATOM 1294 CZ PHE A 86 5.847 -3.635 -1.645 1.00 3.10 C ATOM 0 H PHE A 86 3.377 -7.866 -3.764 1.00 0.47 H new ATOM 0 HA PHE A 86 6.054 -7.351 -4.882 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.092 -8.294 -2.162 1.00 0.60 H new ATOM 0 HB3 PHE A 86 6.781 -8.183 -2.617 1.00 0.60 H new ATOM 0 HD1 PHE A 86 7.810 -5.975 -3.062 1.00 1.30 H new ATOM 0 HD2 PHE A 86 3.812 -6.317 -1.638 1.00 2.19 H new ATOM 0 HE1 PHE A 86 7.846 -3.610 -2.401 1.00 2.20 H new ATOM 0 HE2 PHE A 86 3.844 -3.955 -0.973 1.00 3.16 H new ATOM 0 HZ PHE A 86 5.861 -2.595 -1.353 1.00 3.10 H new ATOM 1304 N GLN A 87 4.558 -10.200 -4.692 1.00 0.56 N ATOM 1305 CA GLN A 87 4.631 -11.596 -5.095 1.00 0.67 C ATOM 1306 C GLN A 87 4.709 -11.694 -6.611 1.00 0.72 C ATOM 1307 O GLN A 87 5.541 -12.415 -7.159 1.00 0.84 O ATOM 1308 CB GLN A 87 3.419 -12.368 -4.571 1.00 0.75 C ATOM 1309 CG GLN A 87 3.446 -13.847 -4.910 1.00 0.93 C ATOM 1310 CD GLN A 87 2.312 -14.611 -4.262 1.00 1.56 C ATOM 1311 OE1 GLN A 87 1.225 -14.739 -4.830 1.00 2.36 O ATOM 1312 NE2 GLN A 87 2.556 -15.127 -3.070 1.00 2.08 N ATOM 0 H GLN A 87 3.621 -9.877 -4.452 1.00 0.56 H new ATOM 0 HA GLN A 87 5.530 -12.039 -4.667 1.00 0.67 H new ATOM 0 HB2 GLN A 87 3.366 -12.253 -3.488 1.00 0.75 H new ATOM 0 HB3 GLN A 87 2.512 -11.926 -4.983 1.00 0.75 H new ATOM 0 HG2 GLN A 87 3.391 -13.970 -5.992 1.00 0.93 H new ATOM 0 HG3 GLN A 87 4.397 -14.273 -4.589 1.00 0.93 H new ATOM 0 HE21 GLN A 87 3.470 -14.997 -2.636 1.00 2.08 H new ATOM 0 HE22 GLN A 87 1.831 -15.655 -2.585 1.00 2.08 H new ATOM 1321 N GLU A 88 3.842 -10.946 -7.279 1.00 0.68 N ATOM 1322 CA GLU A 88 3.826 -10.902 -8.732 1.00 0.75 C ATOM 1323 C GLU A 88 4.782 -9.827 -9.234 1.00 0.70 C ATOM 1324 O GLU A 88 5.232 -9.859 -10.379 1.00 0.78 O ATOM 1325 CB GLU A 88 2.410 -10.620 -9.231 1.00 0.80 C ATOM 1326 CG GLU A 88 1.394 -11.675 -8.822 1.00 1.08 C ATOM 1327 CD GLU A 88 1.765 -13.062 -9.303 1.00 1.56 C ATOM 1328 OE1 GLU A 88 1.717 -13.307 -10.529 1.00 2.02 O ATOM 1329 OE2 GLU A 88 2.093 -13.918 -8.461 1.00 2.25 O ATOM 0 H GLU A 88 3.137 -10.359 -6.833 1.00 0.68 H new ATOM 0 HA GLU A 88 4.150 -11.868 -9.118 1.00 0.75 H new ATOM 0 HB2 GLU A 88 2.087 -9.651 -8.851 1.00 0.80 H new ATOM 0 HB3 GLU A 88 2.426 -10.546 -10.318 1.00 0.80 H new ATOM 0 HG2 GLU A 88 1.303 -11.684 -7.736 1.00 1.08 H new ATOM 0 HG3 GLU A 88 0.416 -11.406 -9.222 1.00 1.08 H new ATOM 1336 N GLU A 89 5.074 -8.878 -8.340 1.00 0.62 N ATOM 1337 CA GLU A 89 5.996 -7.769 -8.599 1.00 0.65 C ATOM 1338 C GLU A 89 5.516 -6.916 -9.776 1.00 0.62 C ATOM 1339 O GLU A 89 6.305 -6.280 -10.473 1.00 0.78 O ATOM 1340 CB GLU A 89 7.426 -8.282 -8.815 1.00 0.80 C ATOM 1341 CG GLU A 89 8.483 -7.215 -8.576 1.00 1.48 C ATOM 1342 CD GLU A 89 9.880 -7.782 -8.446 1.00 1.67 C ATOM 1343 OE1 GLU A 89 10.538 -7.991 -9.487 1.00 1.55 O ATOM 1344 OE2 GLU A 89 10.322 -8.038 -7.308 1.00 2.29 O ATOM 0 H GLU A 89 4.671 -8.858 -7.403 1.00 0.62 H new ATOM 0 HA GLU A 89 6.009 -7.127 -7.718 1.00 0.65 H new ATOM 0 HB2 GLU A 89 7.609 -9.123 -8.146 1.00 0.80 H new ATOM 0 HB3 GLU A 89 7.521 -8.658 -9.834 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.462 -6.501 -9.399 1.00 1.48 H new ATOM 0 HG3 GLU A 89 8.235 -6.663 -7.669 1.00 1.48 H new ATOM 1351 N GLU A 90 4.204 -6.896 -9.964 1.00 0.49 N ATOM 1352 CA GLU A 90 3.574 -6.108 -11.016 1.00 0.53 C ATOM 1353 C GLU A 90 2.440 -5.281 -10.421 1.00 0.45 C ATOM 1354 O GLU A 90 2.044 -5.505 -9.275 1.00 0.44 O ATOM 1355 CB GLU A 90 3.024 -7.033 -12.112 1.00 0.67 C ATOM 1356 CG GLU A 90 1.971 -8.017 -11.617 1.00 1.26 C ATOM 1357 CD GLU A 90 1.397 -8.869 -12.730 1.00 1.72 C ATOM 1358 OE1 GLU A 90 2.169 -9.623 -13.364 1.00 2.10 O ATOM 1359 OE2 GLU A 90 0.173 -8.795 -12.978 1.00 2.05 O ATOM 0 H GLU A 90 3.546 -7.425 -9.392 1.00 0.49 H new ATOM 0 HA GLU A 90 4.316 -5.443 -11.458 1.00 0.53 H new ATOM 0 HB2 GLU A 90 2.593 -6.423 -12.906 1.00 0.67 H new ATOM 0 HB3 GLU A 90 3.851 -7.591 -12.552 1.00 0.67 H new ATOM 0 HG2 GLU A 90 2.413 -8.665 -10.860 1.00 1.26 H new ATOM 0 HG3 GLU A 90 1.164 -7.466 -11.134 1.00 1.26 H new ATOM 1366 N PRO A 91 1.917 -4.298 -11.163 1.00 0.47 N ATOM 1367 CA PRO A 91 0.725 -3.568 -10.744 1.00 0.45 C ATOM 1368 C PRO A 91 -0.497 -4.480 -10.712 1.00 0.44 C ATOM 1369 O PRO A 91 -0.872 -5.078 -11.725 1.00 0.51 O ATOM 1370 CB PRO A 91 0.558 -2.476 -11.807 1.00 0.54 C ATOM 1371 CG PRO A 91 1.867 -2.414 -12.519 1.00 0.64 C ATOM 1372 CD PRO A 91 2.448 -3.795 -12.443 1.00 0.60 C ATOM 0 HA PRO A 91 0.823 -3.163 -9.737 1.00 0.45 H new ATOM 0 HB2 PRO A 91 -0.252 -2.718 -12.495 1.00 0.54 H new ATOM 0 HB3 PRO A 91 0.313 -1.517 -11.350 1.00 0.54 H new ATOM 0 HG2 PRO A 91 1.733 -2.104 -13.555 1.00 0.64 H new ATOM 0 HG3 PRO A 91 2.530 -1.686 -12.052 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.133 -4.414 -13.283 1.00 0.60 H new ATOM 0 HD3 PRO A 91 3.538 -3.777 -12.451 1.00 0.60 H new ATOM 1380 N VAL A 92 -1.092 -4.604 -9.542 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.285 -5.409 -9.363 1.00 0.44 C ATOM 1382 C VAL A 92 -3.425 -4.536 -8.856 1.00 0.46 C ATOM 1383 O VAL A 92 -3.305 -3.313 -8.800 1.00 0.58 O ATOM 1384 CB VAL A 92 -2.070 -6.580 -8.375 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -1.099 -7.605 -8.942 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -1.571 -6.074 -7.035 1.00 0.46 C ATOM 0 H VAL A 92 -0.763 -4.150 -8.690 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.529 -5.835 -10.336 1.00 0.44 H new ATOM 0 HB VAL A 92 -3.035 -7.065 -8.226 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -0.967 -8.416 -8.226 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.496 -8.005 -9.875 1.00 0.50 H new ATOM 0 HG13 VAL A 92 -0.137 -7.129 -9.132 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -1.428 -6.916 -6.358 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -0.623 -5.554 -7.173 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -2.303 -5.388 -6.610 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.521 -5.169 -8.489 1.00 0.56 N ATOM 1397 CA LEU A 93 -5.684 -4.454 -8.004 1.00 0.59 C ATOM 1398 C LEU A 93 -6.406 -5.292 -6.961 1.00 0.56 C ATOM 1399 O LEU A 93 -6.490 -6.518 -7.094 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.626 -4.127 -9.167 1.00 0.67 C ATOM 1401 CG LEU A 93 -7.861 -3.303 -8.799 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -7.456 -1.918 -8.312 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -8.806 -3.199 -9.987 1.00 1.49 C ATOM 0 H LEU A 93 -4.631 -6.183 -8.518 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.361 -3.519 -7.545 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.063 -3.586 -9.928 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -6.956 -5.062 -9.619 1.00 0.67 H new ATOM 0 HG LEU A 93 -8.384 -3.810 -7.988 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -8.348 -1.347 -8.055 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -6.820 -2.013 -7.432 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -6.909 -1.401 -9.100 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -9.679 -2.609 -9.707 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -8.293 -2.716 -10.819 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -9.124 -4.197 -10.288 1.00 1.49 H new ATOM 1415 N ASP A 94 -6.888 -4.632 -5.917 1.00 0.57 N ATOM 1416 CA ASP A 94 -7.693 -5.281 -4.891 1.00 0.54 C ATOM 1417 C ASP A 94 -9.142 -5.328 -5.361 1.00 0.53 C ATOM 1418 O ASP A 94 -9.762 -4.284 -5.581 1.00 0.54 O ATOM 1419 CB ASP A 94 -7.580 -4.508 -3.563 1.00 0.56 C ATOM 1420 CG ASP A 94 -8.326 -5.149 -2.394 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -9.146 -6.071 -2.606 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -8.096 -4.724 -1.240 1.00 0.85 O ATOM 0 H ASP A 94 -6.733 -3.637 -5.758 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.333 -6.296 -4.724 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -6.526 -4.416 -3.299 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -7.961 -3.498 -3.711 1.00 0.56 H new ATOM 1427 N PRO A 95 -9.683 -6.543 -5.564 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.081 -6.743 -5.974 1.00 0.66 C ATOM 1429 C PRO A 95 -12.067 -6.070 -5.028 1.00 0.64 C ATOM 1430 O PRO A 95 -13.227 -5.842 -5.378 1.00 0.74 O ATOM 1431 CB PRO A 95 -11.253 -8.263 -5.926 1.00 0.75 C ATOM 1432 CG PRO A 95 -9.876 -8.803 -6.104 1.00 0.77 C ATOM 1433 CD PRO A 95 -8.962 -7.821 -5.434 1.00 0.66 C ATOM 0 HA PRO A 95 -11.282 -6.307 -6.952 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -11.685 -8.583 -4.978 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -11.920 -8.611 -6.714 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -9.783 -9.792 -5.656 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -9.631 -8.907 -7.161 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -8.789 -8.081 -4.390 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -7.987 -7.784 -5.919 1.00 0.66 H new ATOM 1441 N HIS A 96 -11.602 -5.763 -3.829 1.00 0.58 N ATOM 1442 CA HIS A 96 -12.402 -5.057 -2.851 1.00 0.64 C ATOM 1443 C HIS A 96 -11.578 -3.935 -2.227 1.00 0.57 C ATOM 1444 O HIS A 96 -11.219 -4.001 -1.051 1.00 0.58 O ATOM 1445 CB HIS A 96 -12.904 -6.003 -1.753 1.00 0.80 C ATOM 1446 CG HIS A 96 -13.972 -6.961 -2.187 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -15.262 -6.912 -1.705 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -13.929 -8.014 -3.034 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -15.967 -7.891 -2.242 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -15.180 -8.571 -3.052 1.00 1.31 N ATOM 0 H HIS A 96 -10.662 -5.997 -3.510 1.00 0.58 H new ATOM 0 HA HIS A 96 -13.270 -4.639 -3.360 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -12.058 -6.574 -1.370 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -13.286 -5.406 -0.925 1.00 0.80 H new ATOM 0 HD2 HIS A 96 -13.069 -8.353 -3.592 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -17.009 -8.099 -2.050 1.00 1.93 H new ATOM 0 HE2 HIS A 96 -15.458 -9.382 -3.604 1.00 1.31 H new ATOM 1459 N LEU A 97 -11.261 -2.922 -3.032 1.00 0.56 N ATOM 1460 CA LEU A 97 -10.556 -1.731 -2.551 1.00 0.54 C ATOM 1461 C LEU A 97 -11.287 -1.135 -1.360 1.00 0.54 C ATOM 1462 O LEU A 97 -10.668 -0.720 -0.374 1.00 0.55 O ATOM 1463 CB LEU A 97 -10.463 -0.681 -3.661 1.00 0.59 C ATOM 1464 CG LEU A 97 -9.587 -1.051 -4.855 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -9.789 -0.043 -5.971 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -8.122 -1.112 -4.448 1.00 0.63 C ATOM 0 H LEU A 97 -11.482 -2.901 -4.027 1.00 0.56 H new ATOM 0 HA LEU A 97 -9.551 -2.027 -2.251 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -11.470 -0.473 -4.024 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -10.083 0.244 -3.229 1.00 0.59 H new ATOM 0 HG LEU A 97 -9.878 -2.038 -5.213 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -9.162 -0.311 -6.821 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -10.835 -0.044 -6.277 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -9.515 0.951 -5.617 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -7.515 -1.377 -5.313 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -7.809 -0.139 -4.069 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -7.992 -1.863 -3.669 1.00 0.63 H new ATOM 1478 N ALA A 98 -12.612 -1.112 -1.466 1.00 0.58 N ATOM 1479 CA ALA A 98 -13.475 -0.621 -0.403 1.00 0.63 C ATOM 1480 C ALA A 98 -13.183 -1.321 0.920 1.00 0.61 C ATOM 1481 O ALA A 98 -13.261 -0.706 1.970 1.00 0.65 O ATOM 1482 CB ALA A 98 -14.932 -0.805 -0.785 1.00 0.74 C ATOM 0 H ALA A 98 -13.116 -1.434 -2.293 1.00 0.58 H new ATOM 0 HA ALA A 98 -13.272 0.442 -0.270 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -15.568 -0.434 0.018 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -15.141 -0.250 -1.700 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -15.134 -1.863 -0.949 1.00 0.74 H new ATOM 1488 N LYS A 99 -12.826 -2.600 0.853 1.00 0.60 N ATOM 1489 CA LYS A 99 -12.512 -3.392 2.043 1.00 0.64 C ATOM 1490 C LYS A 99 -11.280 -2.851 2.757 1.00 0.58 C ATOM 1491 O LYS A 99 -11.278 -2.645 3.978 1.00 0.61 O ATOM 1492 CB LYS A 99 -12.272 -4.847 1.614 1.00 0.73 C ATOM 1493 CG LYS A 99 -11.281 -5.624 2.476 1.00 0.89 C ATOM 1494 CD LYS A 99 -11.131 -7.075 2.018 1.00 1.73 C ATOM 1495 CE LYS A 99 -10.817 -7.194 0.525 1.00 2.30 C ATOM 1496 NZ LYS A 99 -9.535 -6.541 0.140 1.00 2.81 N ATOM 0 H LYS A 99 -12.746 -3.117 -0.023 1.00 0.60 H new ATOM 0 HA LYS A 99 -13.349 -3.335 2.739 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -13.226 -5.373 1.622 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -11.914 -4.851 0.584 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -10.309 -5.132 2.442 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -11.612 -5.605 3.514 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -10.336 -7.552 2.591 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -12.051 -7.617 2.236 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -10.776 -8.248 0.252 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -11.630 -6.748 -0.047 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -9.734 -5.691 -0.426 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -9.012 -6.271 0.997 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -8.962 -7.204 -0.421 1.00 2.81 H new ATOM 1510 N HIS A 100 -10.249 -2.593 1.977 1.00 0.55 N ATOM 1511 CA HIS A 100 -8.994 -2.092 2.519 1.00 0.59 C ATOM 1512 C HIS A 100 -9.182 -0.703 3.106 1.00 0.57 C ATOM 1513 O HIS A 100 -8.632 -0.386 4.158 1.00 0.62 O ATOM 1514 CB HIS A 100 -7.909 -2.065 1.440 1.00 0.69 C ATOM 1515 CG HIS A 100 -6.566 -1.624 1.947 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -5.879 -0.551 1.423 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -5.776 -2.134 2.922 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -4.724 -0.420 2.052 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -4.637 -1.366 2.967 1.00 3.34 N ATOM 0 H HIS A 100 -10.252 -2.721 0.965 1.00 0.55 H new ATOM 0 HA HIS A 100 -8.676 -2.767 3.313 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -7.815 -3.061 1.006 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -8.223 -1.396 0.638 1.00 0.69 H new ATOM 0 HD2 HIS A 100 -5.999 -2.986 3.548 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -3.978 0.334 1.851 1.00 3.49 H new ATOM 0 HE2 HIS A 100 -3.853 -1.505 3.604 1.00 3.34 H new ATOM 1528 N LEU A 101 -9.969 0.113 2.427 1.00 0.58 N ATOM 1529 CA LEU A 101 -10.198 1.481 2.855 1.00 0.66 C ATOM 1530 C LEU A 101 -11.215 1.531 3.987 1.00 0.68 C ATOM 1531 O LEU A 101 -11.158 2.409 4.837 1.00 0.76 O ATOM 1532 CB LEU A 101 -10.677 2.322 1.679 1.00 0.70 C ATOM 1533 CG LEU A 101 -9.830 2.195 0.418 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -10.362 3.098 -0.679 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -8.373 2.516 0.710 1.00 0.79 C ATOM 0 H LEU A 101 -10.462 -0.150 1.574 1.00 0.58 H new ATOM 0 HA LEU A 101 -9.257 1.889 3.224 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -11.702 2.039 1.441 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -10.697 3.369 1.983 1.00 0.70 H new ATOM 0 HG LEU A 101 -9.890 1.162 0.074 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -9.743 2.992 -1.570 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -11.389 2.818 -0.915 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -10.337 4.134 -0.341 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -7.789 2.419 -0.205 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -8.293 3.537 1.085 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.991 1.823 1.460 1.00 0.79 H new ATOM 1547 N ALA A 102 -12.135 0.574 3.995 1.00 0.68 N ATOM 1548 CA ALA A 102 -13.149 0.475 5.049 1.00 0.78 C ATOM 1549 C ALA A 102 -12.504 0.312 6.414 1.00 0.76 C ATOM 1550 O ALA A 102 -12.933 0.930 7.388 1.00 0.85 O ATOM 1551 CB ALA A 102 -14.100 -0.680 4.780 1.00 0.88 C ATOM 0 H ALA A 102 -12.203 -0.151 3.281 1.00 0.68 H new ATOM 0 HA ALA A 102 -13.719 1.404 5.046 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.843 -0.733 5.576 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.602 -0.523 3.825 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.538 -1.613 4.746 1.00 0.88 H new ATOM 1557 N HIS A 103 -11.457 -0.504 6.480 1.00 0.72 N ATOM 1558 CA HIS A 103 -10.707 -0.684 7.726 1.00 0.79 C ATOM 1559 C HIS A 103 -10.056 0.638 8.159 1.00 0.88 C ATOM 1560 O HIS A 103 -9.589 0.778 9.289 1.00 1.02 O ATOM 1561 CB HIS A 103 -9.643 -1.775 7.549 1.00 0.86 C ATOM 1562 CG HIS A 103 -8.969 -2.196 8.828 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -9.493 -3.149 9.678 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -7.800 -1.802 9.389 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -8.680 -3.319 10.702 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -7.646 -2.515 10.551 1.00 1.52 N ATOM 0 H HIS A 103 -11.107 -1.050 5.693 1.00 0.72 H new ATOM 0 HA HIS A 103 -11.400 -0.996 8.508 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -10.108 -2.649 7.092 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -8.884 -1.417 6.853 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -7.117 -1.064 8.995 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -8.835 -4.001 11.525 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -6.858 -2.436 11.194 1.00 1.52 H new ATOM 1575 N PHE A 104 -10.048 1.607 7.255 1.00 0.86 N ATOM 1576 CA PHE A 104 -9.436 2.904 7.511 1.00 1.03 C ATOM 1577 C PHE A 104 -10.488 4.008 7.575 1.00 1.11 C ATOM 1578 O PHE A 104 -10.192 5.143 7.953 1.00 1.29 O ATOM 1579 CB PHE A 104 -8.414 3.215 6.414 1.00 1.06 C ATOM 1580 CG PHE A 104 -7.183 2.354 6.481 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -6.531 2.152 7.685 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -6.671 1.758 5.340 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -5.392 1.370 7.752 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -5.533 0.975 5.399 1.00 1.35 C ATOM 1585 CZ PHE A 104 -4.918 0.744 6.607 1.00 1.30 C ATOM 0 H PHE A 104 -10.463 1.518 6.328 1.00 0.86 H new ATOM 0 HA PHE A 104 -8.934 2.863 8.477 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -8.887 3.085 5.440 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -8.120 4.262 6.488 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -6.916 2.611 8.584 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -7.167 1.907 4.392 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -4.873 1.247 8.691 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -5.127 0.544 4.496 1.00 1.35 H new ATOM 0 HZ PHE A 104 -4.070 0.078 6.665 1.00 1.30 H new ATOM 1595 N GLY A 105 -11.720 3.668 7.212 1.00 1.03 N ATOM 1596 CA GLY A 105 -12.783 4.658 7.152 1.00 1.17 C ATOM 1597 C GLY A 105 -12.720 5.487 5.882 1.00 1.18 C ATOM 1598 O GLY A 105 -13.466 6.455 5.719 1.00 1.35 O ATOM 0 H GLY A 105 -12.003 2.722 6.957 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -13.749 4.156 7.209 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -12.714 5.316 8.018 1.00 1.17 H new ATOM 1602 N ILE A 106 -11.831 5.093 4.983 1.00 1.03 N ATOM 1603 CA ILE A 106 -11.605 5.808 3.741 1.00 1.04 C ATOM 1604 C ILE A 106 -12.631 5.415 2.678 1.00 0.98 C ATOM 1605 O ILE A 106 -13.028 4.253 2.573 1.00 0.96 O ATOM 1606 CB ILE A 106 -10.175 5.546 3.221 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -9.147 6.054 4.235 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -9.964 6.208 1.870 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -7.714 5.781 3.831 1.00 1.22 C ATOM 0 H ILE A 106 -11.245 4.266 5.097 1.00 1.03 H new ATOM 0 HA ILE A 106 -11.720 6.873 3.945 1.00 1.04 H new ATOM 0 HB ILE A 106 -10.042 4.471 3.095 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -9.280 7.128 4.369 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -9.339 5.586 5.201 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -8.950 6.011 1.522 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -10.678 5.805 1.152 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -10.112 7.284 1.965 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -7.040 6.168 4.596 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -7.564 4.707 3.725 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -7.504 6.272 2.881 1.00 1.22 H new ATOM 1621 N ASP A 107 -13.068 6.402 1.907 1.00 1.09 N ATOM 1622 CA ASP A 107 -14.013 6.177 0.825 1.00 1.17 C ATOM 1623 C ASP A 107 -13.517 6.833 -0.449 1.00 1.10 C ATOM 1624 O ASP A 107 -13.086 7.987 -0.445 1.00 1.21 O ATOM 1625 CB ASP A 107 -15.379 6.748 1.178 1.00 1.52 C ATOM 1626 CG ASP A 107 -16.394 6.528 0.076 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -16.563 5.372 -0.366 1.00 2.60 O ATOM 1628 OD2 ASP A 107 -17.014 7.518 -0.365 1.00 2.14 O ATOM 0 H ASP A 107 -12.779 7.374 2.014 1.00 1.09 H new ATOM 0 HA ASP A 107 -14.102 5.101 0.673 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -15.738 6.285 2.097 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -15.285 7.816 1.375 1.00 1.52 H new ATOM 1633 N MET A 108 -13.592 6.086 -1.538 1.00 0.98 N ATOM 1634 CA MET A 108 -13.080 6.537 -2.822 1.00 0.94 C ATOM 1635 C MET A 108 -13.914 7.677 -3.381 1.00 1.07 C ATOM 1636 O MET A 108 -13.391 8.605 -3.996 1.00 1.20 O ATOM 1637 CB MET A 108 -13.089 5.399 -3.847 1.00 0.87 C ATOM 1638 CG MET A 108 -12.458 4.101 -3.363 1.00 0.96 C ATOM 1639 SD MET A 108 -13.506 3.198 -2.202 1.00 1.72 S ATOM 1640 CE MET A 108 -14.938 2.856 -3.226 1.00 2.07 C ATOM 0 H MET A 108 -14.007 5.155 -1.558 1.00 0.98 H new ATOM 0 HA MET A 108 -12.059 6.878 -2.649 1.00 0.94 H new ATOM 0 HB2 MET A 108 -14.120 5.199 -4.138 1.00 0.87 H new ATOM 0 HB3 MET A 108 -12.563 5.731 -4.742 1.00 0.87 H new ATOM 0 HG2 MET A 108 -12.244 3.465 -4.222 1.00 0.96 H new ATOM 0 HG3 MET A 108 -11.504 4.323 -2.886 1.00 0.96 H new ATOM 0 HE1 MET A 108 -15.453 1.973 -2.848 1.00 2.07 H new ATOM 0 HE2 MET A 108 -15.615 3.710 -3.201 1.00 2.07 H new ATOM 0 HE3 MET A 108 -14.617 2.677 -4.252 1.00 2.07 H new ATOM 1650 N LEU A 109 -15.217 7.596 -3.180 1.00 1.17 N ATOM 1651 CA LEU A 109 -16.138 8.524 -3.809 1.00 1.40 C ATOM 1652 C LEU A 109 -16.347 9.769 -2.959 1.00 1.71 C ATOM 1653 O LEU A 109 -17.067 10.682 -3.355 1.00 2.17 O ATOM 1654 CB LEU A 109 -17.464 7.829 -4.089 1.00 1.57 C ATOM 1655 CG LEU A 109 -17.353 6.554 -4.929 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -18.732 6.042 -5.292 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -16.523 6.800 -6.180 1.00 1.30 C ATOM 0 H LEU A 109 -15.661 6.896 -2.585 1.00 1.17 H new ATOM 0 HA LEU A 109 -15.702 8.849 -4.754 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -17.937 7.582 -3.139 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -18.124 8.529 -4.601 1.00 1.57 H new ATOM 0 HG LEU A 109 -16.847 5.793 -4.335 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -18.638 5.135 -5.889 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -19.289 5.821 -4.382 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -19.262 6.801 -5.867 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -16.458 5.880 -6.761 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -16.994 7.577 -6.782 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -15.521 7.120 -5.895 1.00 1.30 H new