USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 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 NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0.829 (180deg=0.791) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 70:sc= 0.715 USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= 1.14 (180deg=-0.251) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 22 SER OG : rot -76:sc= 0.702 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 THR OG1 : rot -42:sc= 0.0154 USER MOD Single : A 51 ASN : amide:sc= 0.0947 K(o=0.095,f=-3.3!) USER MOD Single : A 52 LYS NZ :NH3+ 143:sc= 1.26 (180deg=0.128) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -112:sc= 0.933 USER MOD Single : A 69 SER OG : rot -45:sc= 0.63 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.614 -32.704 1.806 1.00 13.99 N ATOM 2 CA MET A 1 26.074 -34.098 1.597 1.00 14.22 C ATOM 3 C MET A 1 24.923 -35.090 1.794 1.00 14.06 C ATOM 4 O MET A 1 25.108 -36.142 2.403 1.00 14.80 O ATOM 5 CB MET A 1 27.219 -34.483 2.556 1.00 14.81 C ATOM 6 CG MET A 1 28.495 -33.648 2.440 1.00 15.51 C ATOM 7 SD MET A 1 29.765 -34.229 3.597 1.00 16.33 S ATOM 8 CE MET A 1 31.065 -32.997 3.335 1.00 17.57 C ATOM 0 H1 MET A 1 26.388 -32.046 1.585 1.00 13.99 H new ATOM 0 H2 MET A 1 24.805 -32.508 1.183 1.00 13.99 H new ATOM 0 H3 MET A 1 25.326 -32.578 2.797 1.00 13.99 H new ATOM 0 HA MET A 1 26.441 -34.148 0.572 1.00 14.22 H new ATOM 0 HB2 MET A 1 26.851 -34.409 3.579 1.00 14.81 H new ATOM 0 HB3 MET A 1 27.475 -35.529 2.384 1.00 14.81 H new ATOM 0 HG2 MET A 1 28.876 -33.701 1.420 1.00 15.51 H new ATOM 0 HG3 MET A 1 28.267 -32.601 2.641 1.00 15.51 H new ATOM 0 HE1 MET A 1 31.915 -33.222 3.980 1.00 17.57 H new ATOM 0 HE2 MET A 1 31.384 -33.020 2.293 1.00 17.57 H new ATOM 0 HE3 MET A 1 30.680 -32.006 3.575 1.00 17.57 H new ATOM 20 N LYS A 2 23.711 -34.784 1.328 1.00 13.41 N ATOM 21 CA LYS A 2 22.591 -35.688 1.532 1.00 13.66 C ATOM 22 C LYS A 2 21.601 -35.462 0.402 1.00 13.25 C ATOM 23 O LYS A 2 21.501 -36.282 -0.504 1.00 13.56 O ATOM 24 CB LYS A 2 21.985 -35.447 2.928 1.00 14.07 C ATOM 25 CG LYS A 2 20.877 -36.449 3.288 1.00 14.87 C ATOM 26 CD LYS A 2 21.374 -37.537 4.246 1.00 15.98 C ATOM 27 CE LYS A 2 22.429 -38.432 3.588 1.00 16.72 C ATOM 28 NZ LYS A 2 22.945 -39.443 4.532 1.00 17.81 N ATOM 0 H LYS A 2 23.487 -33.931 0.816 1.00 13.41 H new ATOM 0 HA LYS A 2 22.900 -36.733 1.507 1.00 13.66 H new ATOM 0 HB2 LYS A 2 22.776 -35.506 3.676 1.00 14.07 H new ATOM 0 HB3 LYS A 2 21.580 -34.436 2.972 1.00 14.07 H new ATOM 0 HG2 LYS A 2 20.042 -35.917 3.745 1.00 14.87 H new ATOM 0 HG3 LYS A 2 20.499 -36.913 2.377 1.00 14.87 H new ATOM 0 HD2 LYS A 2 21.796 -37.072 5.137 1.00 15.98 H new ATOM 0 HD3 LYS A 2 20.532 -38.147 4.573 1.00 15.98 H new ATOM 0 HE2 LYS A 2 21.996 -38.930 2.721 1.00 16.72 H new ATOM 0 HE3 LYS A 2 23.253 -37.818 3.224 1.00 16.72 H new ATOM 0 HZ1 LYS A 2 23.657 -40.032 4.055 1.00 17.81 H new ATOM 0 HZ2 LYS A 2 23.380 -38.966 5.348 1.00 17.81 H new ATOM 0 HZ3 LYS A 2 22.162 -40.044 4.860 1.00 17.81 H new ATOM 42 N GLN A 3 20.894 -34.341 0.455 1.00 12.80 N ATOM 43 CA GLN A 3 19.980 -33.892 -0.572 1.00 12.47 C ATOM 44 C GLN A 3 19.890 -32.391 -0.351 1.00 11.87 C ATOM 45 O GLN A 3 19.481 -31.954 0.721 1.00 12.28 O ATOM 46 CB GLN A 3 18.630 -34.616 -0.447 1.00 13.26 C ATOM 47 CG GLN A 3 18.010 -34.576 0.960 1.00 13.57 C ATOM 48 CD GLN A 3 16.820 -35.522 1.061 1.00 14.64 C ATOM 49 OE1 GLN A 3 16.986 -36.732 1.146 1.00 15.38 O ATOM 50 NE2 GLN A 3 15.603 -34.995 1.064 1.00 15.02 N ATOM 0 H GLN A 3 20.948 -33.700 1.246 1.00 12.80 H new ATOM 0 HA GLN A 3 20.311 -34.115 -1.586 1.00 12.47 H new ATOM 0 HB2 GLN A 3 17.928 -34.172 -1.152 1.00 13.26 H new ATOM 0 HB3 GLN A 3 18.762 -35.657 -0.742 1.00 13.26 H new ATOM 0 HG2 GLN A 3 18.761 -34.851 1.700 1.00 13.57 H new ATOM 0 HG3 GLN A 3 17.692 -33.560 1.192 1.00 13.57 H new ATOM 0 HE21 GLN A 3 15.485 -33.984 0.992 1.00 15.02 H new ATOM 0 HE22 GLN A 3 14.785 -35.600 1.138 1.00 15.02 H new ATOM 59 N ASP A 4 20.391 -31.603 -1.297 1.00 11.23 N ATOM 60 CA ASP A 4 20.721 -30.215 -1.035 1.00 10.86 C ATOM 61 C ASP A 4 20.382 -29.441 -2.312 1.00 10.49 C ATOM 62 O ASP A 4 21.225 -29.324 -3.198 1.00 10.96 O ATOM 63 CB ASP A 4 22.221 -30.095 -0.664 1.00 11.07 C ATOM 64 CG ASP A 4 22.707 -30.969 0.511 1.00 11.98 C ATOM 65 OD1 ASP A 4 22.695 -30.495 1.664 1.00 12.45 O ATOM 66 OD2 ASP A 4 23.195 -32.105 0.273 1.00 12.65 O ATOM 0 H ASP A 4 20.576 -31.907 -2.253 1.00 11.23 H new ATOM 0 HA ASP A 4 20.158 -29.809 -0.194 1.00 10.86 H new ATOM 0 HB2 ASP A 4 22.812 -30.346 -1.545 1.00 11.07 H new ATOM 0 HB3 ASP A 4 22.432 -29.053 -0.425 1.00 11.07 H new ATOM 71 N GLY A 5 19.139 -28.967 -2.465 1.00 10.00 N ATOM 72 CA GLY A 5 18.733 -28.294 -3.697 1.00 9.81 C ATOM 73 C GLY A 5 17.219 -28.098 -3.797 1.00 9.17 C ATOM 74 O GLY A 5 16.491 -29.071 -3.979 1.00 9.45 O ATOM 0 H GLY A 5 18.407 -29.037 -1.758 1.00 10.00 H new ATOM 0 HA2 GLY A 5 19.225 -27.323 -3.753 1.00 9.81 H new ATOM 0 HA3 GLY A 5 19.076 -28.875 -4.553 1.00 9.81 H new ATOM 78 N GLU A 6 16.755 -26.850 -3.711 1.00 8.51 N ATOM 79 CA GLU A 6 15.427 -26.421 -4.135 1.00 7.99 C ATOM 80 C GLU A 6 15.469 -24.905 -4.353 1.00 7.46 C ATOM 81 O GLU A 6 16.297 -24.223 -3.750 1.00 7.61 O ATOM 82 CB GLU A 6 14.350 -26.779 -3.096 1.00 7.91 C ATOM 83 CG GLU A 6 14.717 -26.366 -1.661 1.00 7.98 C ATOM 84 CD GLU A 6 13.473 -26.142 -0.798 1.00 8.05 C ATOM 85 OE1 GLU A 6 12.662 -27.088 -0.692 1.00 8.63 O ATOM 86 OE2 GLU A 6 13.344 -25.024 -0.250 1.00 7.99 O ATOM 0 H GLU A 6 17.315 -26.087 -3.331 1.00 8.51 H new ATOM 0 HA GLU A 6 15.161 -26.939 -5.057 1.00 7.99 H new ATOM 0 HB2 GLU A 6 13.413 -26.297 -3.375 1.00 7.91 H new ATOM 0 HB3 GLU A 6 14.175 -27.855 -3.122 1.00 7.91 H new ATOM 0 HG2 GLU A 6 15.339 -27.138 -1.208 1.00 7.98 H new ATOM 0 HG3 GLU A 6 15.311 -25.452 -1.686 1.00 7.98 H new ATOM 93 N GLU A 7 14.583 -24.365 -5.193 1.00 7.05 N ATOM 94 CA GLU A 7 14.476 -22.936 -5.446 1.00 6.61 C ATOM 95 C GLU A 7 13.143 -22.642 -6.154 1.00 6.13 C ATOM 96 O GLU A 7 12.315 -23.535 -6.324 1.00 6.36 O ATOM 97 CB GLU A 7 15.680 -22.439 -6.269 1.00 6.95 C ATOM 98 CG GLU A 7 15.890 -23.190 -7.593 1.00 8.59 C ATOM 99 CD GLU A 7 16.862 -24.366 -7.450 1.00 9.81 C ATOM 100 OE1 GLU A 7 16.381 -25.501 -7.226 1.00 10.70 O ATOM 101 OE2 GLU A 7 18.079 -24.115 -7.596 1.00 10.22 O ATOM 0 H GLU A 7 13.912 -24.922 -5.722 1.00 7.05 H new ATOM 0 HA GLU A 7 14.490 -22.396 -4.499 1.00 6.61 H new ATOM 0 HB2 GLU A 7 15.547 -21.378 -6.483 1.00 6.95 H new ATOM 0 HB3 GLU A 7 16.582 -22.532 -5.665 1.00 6.95 H new ATOM 0 HG2 GLU A 7 14.930 -23.558 -7.955 1.00 8.59 H new ATOM 0 HG3 GLU A 7 16.270 -22.497 -8.344 1.00 8.59 H new ATOM 108 N GLY A 8 12.935 -21.391 -6.574 1.00 5.73 N ATOM 109 CA GLY A 8 11.768 -20.936 -7.317 1.00 5.50 C ATOM 110 C GLY A 8 12.120 -19.617 -8.001 1.00 4.76 C ATOM 111 O GLY A 8 13.299 -19.299 -8.140 1.00 4.78 O ATOM 0 H GLY A 8 13.604 -20.642 -6.396 1.00 5.73 H new ATOM 0 HA2 GLY A 8 11.475 -21.681 -8.057 1.00 5.50 H new ATOM 0 HA3 GLY A 8 10.919 -20.801 -6.646 1.00 5.50 H new ATOM 115 N THR A 9 11.125 -18.841 -8.436 1.00 4.60 N ATOM 116 CA THR A 9 11.369 -17.565 -9.095 1.00 4.31 C ATOM 117 C THR A 9 10.175 -16.644 -8.862 1.00 3.98 C ATOM 118 O THR A 9 9.095 -17.134 -8.535 1.00 4.64 O ATOM 119 CB THR A 9 11.634 -17.803 -10.591 1.00 5.35 C ATOM 120 OG1 THR A 9 12.015 -16.605 -11.239 1.00 5.67 O ATOM 121 CG2 THR A 9 10.415 -18.388 -11.305 1.00 6.13 C ATOM 0 H THR A 9 10.138 -19.080 -8.341 1.00 4.60 H new ATOM 0 HA THR A 9 12.252 -17.080 -8.678 1.00 4.31 H new ATOM 0 HB THR A 9 12.449 -18.524 -10.647 1.00 5.35 H new ATOM 0 HG1 THR A 9 12.179 -16.785 -12.188 1.00 5.67 H new ATOM 0 HG21 THR A 9 10.648 -18.539 -12.359 1.00 6.13 H new ATOM 0 HG22 THR A 9 10.151 -19.343 -10.851 1.00 6.13 H new ATOM 0 HG23 THR A 9 9.575 -17.699 -11.215 1.00 6.13 H new ATOM 129 N GLU A 10 10.385 -15.344 -9.100 1.00 3.69 N ATOM 130 CA GLU A 10 9.401 -14.264 -9.070 1.00 3.59 C ATOM 131 C GLU A 10 9.182 -13.798 -7.624 1.00 2.72 C ATOM 132 O GLU A 10 8.743 -14.585 -6.789 1.00 3.13 O ATOM 133 CB GLU A 10 8.097 -14.669 -9.786 1.00 4.54 C ATOM 134 CG GLU A 10 7.524 -13.511 -10.612 1.00 5.09 C ATOM 135 CD GLU A 10 8.304 -13.324 -11.918 1.00 6.05 C ATOM 136 OE1 GLU A 10 7.731 -13.624 -12.989 1.00 6.95 O ATOM 137 OE2 GLU A 10 9.487 -12.921 -11.832 1.00 6.34 O ATOM 0 H GLU A 10 11.315 -14.998 -9.335 1.00 3.69 H new ATOM 0 HA GLU A 10 9.786 -13.411 -9.629 1.00 3.59 H new ATOM 0 HB2 GLU A 10 8.289 -15.522 -10.438 1.00 4.54 H new ATOM 0 HB3 GLU A 10 7.361 -14.990 -9.049 1.00 4.54 H new ATOM 0 HG2 GLU A 10 6.475 -13.705 -10.836 1.00 5.09 H new ATOM 0 HG3 GLU A 10 7.561 -12.591 -10.028 1.00 5.09 H new ATOM 144 N GLU A 11 9.560 -12.555 -7.290 1.00 2.21 N ATOM 145 CA GLU A 11 9.481 -12.076 -5.911 1.00 1.55 C ATOM 146 C GLU A 11 9.713 -10.557 -5.789 1.00 1.50 C ATOM 147 O GLU A 11 10.590 -10.126 -5.037 1.00 2.17 O ATOM 148 CB GLU A 11 10.517 -12.823 -5.039 1.00 1.98 C ATOM 149 CG GLU A 11 11.938 -12.792 -5.638 1.00 3.62 C ATOM 150 CD GLU A 11 13.050 -13.055 -4.615 1.00 4.38 C ATOM 151 OE1 GLU A 11 12.735 -13.237 -3.416 1.00 4.27 O ATOM 152 OE2 GLU A 11 14.226 -13.053 -5.047 1.00 5.66 O ATOM 0 H GLU A 11 9.921 -11.871 -7.955 1.00 2.21 H new ATOM 0 HA GLU A 11 8.468 -12.278 -5.563 1.00 1.55 H new ATOM 0 HB2 GLU A 11 10.537 -12.377 -4.045 1.00 1.98 H new ATOM 0 HB3 GLU A 11 10.202 -13.859 -4.917 1.00 1.98 H new ATOM 0 HG2 GLU A 11 12.004 -13.537 -6.431 1.00 3.62 H new ATOM 0 HG3 GLU A 11 12.106 -11.819 -6.100 1.00 3.62 H new ATOM 159 N ASP A 12 8.931 -9.695 -6.442 1.00 1.24 N ATOM 160 CA ASP A 12 9.183 -8.253 -6.383 1.00 1.30 C ATOM 161 C ASP A 12 7.887 -7.468 -6.217 1.00 1.21 C ATOM 162 O ASP A 12 6.976 -7.593 -7.025 1.00 1.57 O ATOM 163 CB ASP A 12 9.965 -7.761 -7.604 1.00 1.70 C ATOM 164 CG ASP A 12 10.364 -6.294 -7.417 1.00 2.14 C ATOM 165 OD1 ASP A 12 10.812 -5.678 -8.405 1.00 2.66 O ATOM 166 OD2 ASP A 12 10.212 -5.797 -6.273 1.00 3.13 O ATOM 0 H ASP A 12 8.128 -9.965 -7.011 1.00 1.24 H new ATOM 0 HA ASP A 12 9.801 -8.074 -5.503 1.00 1.30 H new ATOM 0 HB2 ASP A 12 10.856 -8.373 -7.746 1.00 1.70 H new ATOM 0 HB3 ASP A 12 9.357 -7.869 -8.503 1.00 1.70 H new ATOM 171 N THR A 13 7.823 -6.656 -5.154 1.00 1.16 N ATOM 172 CA THR A 13 6.707 -5.787 -4.784 1.00 1.12 C ATOM 173 C THR A 13 5.345 -6.456 -5.040 1.00 1.08 C ATOM 174 O THR A 13 4.388 -5.823 -5.480 1.00 1.22 O ATOM 175 CB THR A 13 6.911 -4.432 -5.485 1.00 1.30 C ATOM 176 OG1 THR A 13 8.242 -4.005 -5.258 1.00 1.97 O ATOM 177 CG2 THR A 13 6.029 -3.313 -4.921 1.00 2.01 C ATOM 0 H THR A 13 8.596 -6.587 -4.493 1.00 1.16 H new ATOM 0 HA THR A 13 6.694 -5.604 -3.710 1.00 1.12 H new ATOM 0 HB THR A 13 6.664 -4.593 -6.534 1.00 1.30 H new ATOM 0 HG1 THR A 13 8.859 -4.575 -5.763 1.00 1.97 H new ATOM 0 HG21 THR A 13 6.225 -2.387 -5.462 1.00 2.01 H new ATOM 0 HG22 THR A 13 4.980 -3.584 -5.035 1.00 2.01 H new ATOM 0 HG23 THR A 13 6.254 -3.170 -3.864 1.00 2.01 H new ATOM 185 N GLU A 14 5.254 -7.752 -4.732 1.00 0.97 N ATOM 186 CA GLU A 14 4.183 -8.614 -5.214 1.00 0.89 C ATOM 187 C GLU A 14 3.153 -8.844 -4.114 1.00 0.90 C ATOM 188 O GLU A 14 1.954 -8.802 -4.370 1.00 1.27 O ATOM 189 CB GLU A 14 4.787 -9.930 -5.734 1.00 0.88 C ATOM 190 CG GLU A 14 4.633 -10.013 -7.256 1.00 1.46 C ATOM 191 CD GLU A 14 5.461 -11.149 -7.861 1.00 2.18 C ATOM 192 OE1 GLU A 14 6.692 -11.150 -7.632 1.00 3.51 O ATOM 193 OE2 GLU A 14 4.854 -11.981 -8.571 1.00 2.77 O ATOM 0 H GLU A 14 5.929 -8.232 -4.136 1.00 0.97 H new ATOM 0 HA GLU A 14 3.660 -8.134 -6.041 1.00 0.89 H new ATOM 0 HB2 GLU A 14 5.841 -9.988 -5.463 1.00 0.88 H new ATOM 0 HB3 GLU A 14 4.290 -10.778 -5.263 1.00 0.88 H new ATOM 0 HG2 GLU A 14 3.582 -10.159 -7.505 1.00 1.46 H new ATOM 0 HG3 GLU A 14 4.938 -9.066 -7.702 1.00 1.46 H new ATOM 200 N GLU A 15 3.606 -9.069 -2.881 1.00 0.77 N ATOM 201 CA GLU A 15 2.720 -9.309 -1.752 1.00 0.86 C ATOM 202 C GLU A 15 3.375 -8.849 -0.448 1.00 0.72 C ATOM 203 O GLU A 15 3.187 -9.447 0.609 1.00 0.76 O ATOM 204 CB GLU A 15 2.316 -10.797 -1.724 1.00 1.17 C ATOM 205 CG GLU A 15 3.430 -11.805 -1.384 1.00 3.30 C ATOM 206 CD GLU A 15 4.633 -11.749 -2.330 1.00 4.72 C ATOM 207 OE1 GLU A 15 5.528 -10.903 -2.088 1.00 6.19 O ATOM 208 OE2 GLU A 15 4.632 -12.525 -3.305 1.00 5.13 O ATOM 0 H GLU A 15 4.597 -9.089 -2.641 1.00 0.77 H new ATOM 0 HA GLU A 15 1.808 -8.722 -1.863 1.00 0.86 H new ATOM 0 HB2 GLU A 15 1.512 -10.919 -0.998 1.00 1.17 H new ATOM 0 HB3 GLU A 15 1.906 -11.058 -2.700 1.00 1.17 H new ATOM 0 HG2 GLU A 15 3.773 -11.621 -0.366 1.00 3.30 H new ATOM 0 HG3 GLU A 15 3.013 -12.812 -1.403 1.00 3.30 H new ATOM 215 N LYS A 16 4.130 -7.749 -0.501 1.00 0.70 N ATOM 216 CA LYS A 16 4.996 -7.345 0.603 1.00 0.67 C ATOM 217 C LYS A 16 4.514 -6.004 1.150 1.00 0.63 C ATOM 218 O LYS A 16 4.678 -4.961 0.515 1.00 0.73 O ATOM 219 CB LYS A 16 6.468 -7.344 0.155 1.00 0.75 C ATOM 220 CG LYS A 16 6.771 -8.659 -0.578 1.00 0.74 C ATOM 221 CD LYS A 16 8.243 -8.999 -0.842 1.00 0.89 C ATOM 222 CE LYS A 16 8.706 -8.474 -2.206 1.00 1.05 C ATOM 223 NZ LYS A 16 9.960 -9.134 -2.643 1.00 1.35 N ATOM 0 H LYS A 16 4.157 -7.120 -1.304 1.00 0.70 H new ATOM 0 HA LYS A 16 4.939 -8.062 1.422 1.00 0.67 H new ATOM 0 HB2 LYS A 16 6.661 -6.495 -0.501 1.00 0.75 H new ATOM 0 HB3 LYS A 16 7.124 -7.235 1.019 1.00 0.75 H new ATOM 0 HG2 LYS A 16 6.336 -9.474 -0.000 1.00 0.74 H new ATOM 0 HG3 LYS A 16 6.254 -8.637 -1.537 1.00 0.74 H new ATOM 0 HD2 LYS A 16 8.863 -8.569 -0.056 1.00 0.89 H new ATOM 0 HD3 LYS A 16 8.381 -10.079 -0.801 1.00 0.89 H new ATOM 0 HE2 LYS A 16 7.926 -8.645 -2.947 1.00 1.05 H new ATOM 0 HE3 LYS A 16 8.861 -7.397 -2.149 1.00 1.05 H new ATOM 0 HZ1 LYS A 16 9.978 -9.192 -3.681 1.00 1.35 H new ATOM 0 HZ2 LYS A 16 10.777 -8.581 -2.313 1.00 1.35 H new ATOM 0 HZ3 LYS A 16 10.006 -10.092 -2.241 1.00 1.35 H new ATOM 237 N CYS A 17 3.888 -6.052 2.325 1.00 0.58 N ATOM 238 CA CYS A 17 3.438 -4.906 3.096 1.00 0.64 C ATOM 239 C CYS A 17 4.682 -4.100 3.467 1.00 0.69 C ATOM 240 O CYS A 17 5.412 -4.429 4.400 1.00 0.77 O ATOM 241 CB CYS A 17 2.727 -5.441 4.348 1.00 0.70 C ATOM 242 SG CYS A 17 1.629 -4.215 5.112 1.00 0.87 S ATOM 0 H CYS A 17 3.673 -6.938 2.783 1.00 0.58 H new ATOM 0 HA CYS A 17 2.747 -4.268 2.545 1.00 0.64 H new ATOM 0 HB2 CYS A 17 2.147 -6.325 4.081 1.00 0.70 H new ATOM 0 HB3 CYS A 17 3.473 -5.757 5.077 1.00 0.70 H new ATOM 247 N THR A 18 4.933 -3.021 2.734 1.00 0.70 N ATOM 248 CA THR A 18 6.137 -2.225 2.914 1.00 0.76 C ATOM 249 C THR A 18 5.825 -1.030 3.821 1.00 0.63 C ATOM 250 O THR A 18 6.620 -0.101 3.951 1.00 0.77 O ATOM 251 CB THR A 18 6.684 -1.850 1.527 1.00 0.99 C ATOM 252 OG1 THR A 18 5.614 -1.662 0.620 1.00 1.42 O ATOM 253 CG2 THR A 18 7.572 -2.977 0.981 1.00 1.36 C ATOM 0 H THR A 18 4.310 -2.677 2.003 1.00 0.70 H new ATOM 0 HA THR A 18 6.926 -2.781 3.421 1.00 0.76 H new ATOM 0 HB THR A 18 7.263 -0.932 1.629 1.00 0.99 H new ATOM 0 HG1 THR A 18 5.970 -1.422 -0.261 1.00 1.42 H new ATOM 0 HG21 THR A 18 7.952 -2.697 -0.002 1.00 1.36 H new ATOM 0 HG22 THR A 18 8.409 -3.142 1.660 1.00 1.36 H new ATOM 0 HG23 THR A 18 6.987 -3.893 0.896 1.00 1.36 H new ATOM 261 N ILE A 19 4.674 -1.082 4.500 1.00 0.53 N ATOM 262 CA ILE A 19 4.262 -0.136 5.516 1.00 0.52 C ATOM 263 C ILE A 19 4.514 -0.781 6.874 1.00 0.57 C ATOM 264 O ILE A 19 5.324 -0.300 7.661 1.00 0.69 O ATOM 265 CB ILE A 19 2.780 0.178 5.341 1.00 0.48 C ATOM 266 CG1 ILE A 19 2.565 0.611 3.880 1.00 0.52 C ATOM 267 CG2 ILE A 19 2.366 1.120 6.475 1.00 0.59 C ATOM 268 CD1 ILE A 19 1.349 1.447 3.574 1.00 0.68 C ATOM 0 H ILE A 19 3.984 -1.817 4.343 1.00 0.53 H new ATOM 0 HA ILE A 19 4.821 0.796 5.436 1.00 0.52 H new ATOM 0 HB ILE A 19 2.096 -0.663 5.456 1.00 0.48 H new ATOM 0 HG12 ILE A 19 3.446 1.169 3.561 1.00 0.52 H new ATOM 0 HG13 ILE A 19 2.518 -0.288 3.266 1.00 0.52 H new ATOM 0 HG21 ILE A 19 1.308 1.364 6.377 1.00 0.59 H new ATOM 0 HG22 ILE A 19 2.539 0.632 7.434 1.00 0.59 H new ATOM 0 HG23 ILE A 19 2.956 2.035 6.421 1.00 0.59 H new ATOM 0 HD11 ILE A 19 1.325 1.678 2.509 1.00 0.68 H new ATOM 0 HD12 ILE A 19 0.450 0.894 3.846 1.00 0.68 H new ATOM 0 HD13 ILE A 19 1.392 2.374 4.146 1.00 0.68 H new ATOM 280 N CYS A 20 3.814 -1.893 7.102 1.00 0.58 N ATOM 281 CA CYS A 20 3.784 -2.686 8.319 1.00 0.84 C ATOM 282 C CYS A 20 4.825 -3.809 8.217 1.00 1.06 C ATOM 283 O CYS A 20 4.737 -4.797 8.944 1.00 1.41 O ATOM 284 CB CYS A 20 2.348 -3.234 8.511 1.00 1.07 C ATOM 285 SG CYS A 20 1.432 -3.450 6.942 1.00 1.59 S ATOM 0 H CYS A 20 3.209 -2.288 6.382 1.00 0.58 H new ATOM 0 HA CYS A 20 4.039 -2.083 9.191 1.00 0.84 H new ATOM 0 HB2 CYS A 20 2.400 -4.193 9.027 1.00 1.07 H new ATOM 0 HB3 CYS A 20 1.792 -2.554 9.156 1.00 1.07 H new ATOM 290 N LEU A 21 5.837 -3.634 7.358 1.00 0.99 N ATOM 291 CA LEU A 21 7.098 -4.368 7.352 1.00 1.26 C ATOM 292 C LEU A 21 6.882 -5.878 7.471 1.00 1.31 C ATOM 293 O LEU A 21 7.454 -6.534 8.338 1.00 1.62 O ATOM 294 CB LEU A 21 7.996 -3.798 8.466 1.00 1.66 C ATOM 295 CG LEU A 21 8.338 -2.312 8.251 1.00 1.61 C ATOM 296 CD1 LEU A 21 8.649 -1.634 9.587 1.00 2.06 C ATOM 297 CD2 LEU A 21 9.534 -2.155 7.310 1.00 1.84 C ATOM 0 H LEU A 21 5.791 -2.940 6.612 1.00 0.99 H new ATOM 0 HA LEU A 21 7.600 -4.233 6.394 1.00 1.26 H new ATOM 0 HB2 LEU A 21 7.495 -3.916 9.427 1.00 1.66 H new ATOM 0 HB3 LEU A 21 8.919 -4.376 8.514 1.00 1.66 H new ATOM 0 HG LEU A 21 7.469 -1.835 7.798 1.00 1.61 H new ATOM 0 HD11 LEU A 21 8.888 -0.585 9.415 1.00 2.06 H new ATOM 0 HD12 LEU A 21 7.781 -1.706 10.242 1.00 2.06 H new ATOM 0 HD13 LEU A 21 9.500 -2.128 10.056 1.00 2.06 H new ATOM 0 HD21 LEU A 21 9.754 -1.096 7.175 1.00 1.84 H new ATOM 0 HD22 LEU A 21 10.403 -2.655 7.739 1.00 1.84 H new ATOM 0 HD23 LEU A 21 9.298 -2.602 6.344 1.00 1.84 H new ATOM 309 N SER A 22 6.062 -6.438 6.583 1.00 1.05 N ATOM 310 CA SER A 22 5.735 -7.854 6.587 1.00 1.14 C ATOM 311 C SER A 22 5.423 -8.316 5.170 1.00 0.84 C ATOM 312 O SER A 22 5.137 -7.515 4.287 1.00 0.67 O ATOM 313 CB SER A 22 4.558 -8.108 7.541 1.00 1.34 C ATOM 314 OG SER A 22 3.607 -7.060 7.489 1.00 1.64 O ATOM 0 H SER A 22 5.605 -5.914 5.837 1.00 1.05 H new ATOM 0 HA SER A 22 6.588 -8.432 6.944 1.00 1.14 H new ATOM 0 HB2 SER A 22 4.076 -9.050 7.281 1.00 1.34 H new ATOM 0 HB3 SER A 22 4.931 -8.211 8.560 1.00 1.34 H new ATOM 0 HG SER A 22 3.946 -6.286 7.984 1.00 1.64 H new ATOM 320 N ILE A 23 5.499 -9.621 4.939 1.00 0.98 N ATOM 321 CA ILE A 23 5.003 -10.249 3.728 1.00 0.86 C ATOM 322 C ILE A 23 3.582 -10.710 4.062 1.00 0.80 C ATOM 323 O ILE A 23 3.241 -10.822 5.241 1.00 0.92 O ATOM 324 CB ILE A 23 5.908 -11.442 3.376 1.00 1.07 C ATOM 325 CG1 ILE A 23 7.414 -11.156 3.556 1.00 1.57 C ATOM 326 CG2 ILE A 23 5.614 -11.902 1.950 1.00 0.86 C ATOM 327 CD1 ILE A 23 7.915 -9.903 2.832 1.00 1.05 C ATOM 0 H ILE A 23 5.913 -10.279 5.599 1.00 0.98 H new ATOM 0 HA ILE A 23 5.001 -9.578 2.869 1.00 0.86 H new ATOM 0 HB ILE A 23 5.673 -12.236 4.085 1.00 1.07 H new ATOM 0 HG12 ILE A 23 7.627 -11.054 4.620 1.00 1.57 H new ATOM 0 HG13 ILE A 23 7.979 -12.017 3.199 1.00 1.57 H new ATOM 0 HG21 ILE A 23 6.255 -12.747 1.701 1.00 0.86 H new ATOM 0 HG22 ILE A 23 4.569 -12.204 1.873 1.00 0.86 H new ATOM 0 HG23 ILE A 23 5.807 -11.083 1.257 1.00 0.86 H new ATOM 0 HD11 ILE A 23 8.983 -9.780 3.014 1.00 1.05 H new ATOM 0 HD12 ILE A 23 7.739 -10.006 1.761 1.00 1.05 H new ATOM 0 HD13 ILE A 23 7.381 -9.029 3.205 1.00 1.05 H new ATOM 339 N LEU A 24 2.751 -10.957 3.050 1.00 0.73 N ATOM 340 CA LEU A 24 1.342 -11.246 3.226 1.00 0.75 C ATOM 341 C LEU A 24 1.051 -12.684 2.795 1.00 0.90 C ATOM 342 O LEU A 24 0.961 -13.562 3.645 1.00 1.12 O ATOM 343 CB LEU A 24 0.536 -10.189 2.457 1.00 0.65 C ATOM 344 CG LEU A 24 0.862 -8.756 2.900 1.00 0.67 C ATOM 345 CD1 LEU A 24 0.422 -7.822 1.781 1.00 0.93 C ATOM 346 CD2 LEU A 24 0.164 -8.422 4.213 1.00 1.02 C ATOM 0 H LEU A 24 3.049 -10.960 2.074 1.00 0.73 H new ATOM 0 HA LEU A 24 1.044 -11.185 4.273 1.00 0.75 H new ATOM 0 HB2 LEU A 24 0.737 -10.290 1.391 1.00 0.65 H new ATOM 0 HB3 LEU A 24 -0.528 -10.375 2.599 1.00 0.65 H new ATOM 0 HG LEU A 24 1.931 -8.643 3.081 1.00 0.67 H new ATOM 0 HD11 LEU A 24 0.639 -6.791 2.061 1.00 0.93 H new ATOM 0 HD12 LEU A 24 0.961 -8.070 0.867 1.00 0.93 H new ATOM 0 HD13 LEU A 24 -0.649 -7.935 1.613 1.00 0.93 H new ATOM 0 HD21 LEU A 24 0.410 -7.402 4.507 1.00 1.02 H new ATOM 0 HD22 LEU A 24 -0.915 -8.513 4.085 1.00 1.02 H new ATOM 0 HD23 LEU A 24 0.497 -9.113 4.988 1.00 1.02 H new ATOM 358 N GLU A 25 0.968 -12.913 1.481 1.00 0.86 N ATOM 359 CA GLU A 25 0.910 -14.214 0.818 1.00 1.03 C ATOM 360 C GLU A 25 -0.505 -14.799 0.904 1.00 1.46 C ATOM 361 O GLU A 25 -0.760 -15.742 1.648 1.00 1.96 O ATOM 362 CB GLU A 25 1.990 -15.190 1.318 1.00 1.32 C ATOM 363 CG GLU A 25 3.383 -14.560 1.419 1.00 1.10 C ATOM 364 CD GLU A 25 4.499 -15.585 1.641 1.00 1.28 C ATOM 365 OE1 GLU A 25 5.352 -15.321 2.520 1.00 2.11 O ATOM 366 OE2 GLU A 25 4.509 -16.608 0.920 1.00 2.10 O ATOM 0 H GLU A 25 0.938 -12.144 0.812 1.00 0.86 H new ATOM 0 HA GLU A 25 1.139 -14.056 -0.236 1.00 1.03 H new ATOM 0 HB2 GLU A 25 1.700 -15.570 2.298 1.00 1.32 H new ATOM 0 HB3 GLU A 25 2.035 -16.046 0.645 1.00 1.32 H new ATOM 0 HG2 GLU A 25 3.589 -14.002 0.505 1.00 1.10 H new ATOM 0 HG3 GLU A 25 3.391 -13.842 2.239 1.00 1.10 H new ATOM 373 N GLU A 26 -1.430 -14.230 0.118 1.00 2.07 N ATOM 374 CA GLU A 26 -2.871 -14.424 0.285 1.00 2.67 C ATOM 375 C GLU A 26 -3.302 -14.071 1.716 1.00 1.81 C ATOM 376 O GLU A 26 -2.530 -13.501 2.486 1.00 2.41 O ATOM 377 CB GLU A 26 -3.310 -15.832 -0.175 1.00 3.94 C ATOM 378 CG GLU A 26 -3.347 -15.928 -1.702 1.00 5.63 C ATOM 379 CD GLU A 26 -3.991 -17.242 -2.149 1.00 6.77 C ATOM 380 OE1 GLU A 26 -3.235 -18.211 -2.384 1.00 7.20 O ATOM 381 OE2 GLU A 26 -5.238 -17.259 -2.244 1.00 7.76 O ATOM 0 H GLU A 26 -1.192 -13.615 -0.660 1.00 2.07 H new ATOM 0 HA GLU A 26 -3.400 -13.732 -0.370 1.00 2.67 H new ATOM 0 HB2 GLU A 26 -2.622 -16.578 0.223 1.00 3.94 H new ATOM 0 HB3 GLU A 26 -4.296 -16.059 0.230 1.00 3.94 H new ATOM 0 HG2 GLU A 26 -3.907 -15.086 -2.110 1.00 5.63 H new ATOM 0 HG3 GLU A 26 -2.334 -15.860 -2.100 1.00 5.63 H new ATOM 388 N GLY A 27 -4.568 -14.321 2.065 1.00 1.79 N ATOM 389 CA GLY A 27 -5.074 -14.078 3.406 1.00 2.33 C ATOM 390 C GLY A 27 -5.444 -12.613 3.613 1.00 1.92 C ATOM 391 O GLY A 27 -6.604 -12.303 3.862 1.00 2.06 O ATOM 0 H GLY A 27 -5.265 -14.697 1.422 1.00 1.79 H new ATOM 0 HA2 GLY A 27 -5.949 -14.703 3.583 1.00 2.33 H new ATOM 0 HA3 GLY A 27 -4.321 -14.370 4.138 1.00 2.33 H new ATOM 395 N GLU A 28 -4.461 -11.716 3.555 1.00 1.71 N ATOM 396 CA GLU A 28 -4.672 -10.306 3.826 1.00 1.69 C ATOM 397 C GLU A 28 -5.308 -9.624 2.620 1.00 1.24 C ATOM 398 O GLU A 28 -4.962 -9.898 1.470 1.00 1.29 O ATOM 399 CB GLU A 28 -3.322 -9.659 4.117 1.00 2.06 C ATOM 400 CG GLU A 28 -2.764 -10.107 5.476 1.00 2.71 C ATOM 401 CD GLU A 28 -3.119 -9.096 6.566 1.00 3.87 C ATOM 402 OE1 GLU A 28 -2.186 -8.636 7.264 1.00 4.61 O ATOM 403 OE2 GLU A 28 -4.313 -8.723 6.647 1.00 4.59 O ATOM 0 H GLU A 28 -3.497 -11.952 3.318 1.00 1.71 H new ATOM 0 HA GLU A 28 -5.339 -10.197 4.681 1.00 1.69 H new ATOM 0 HB2 GLU A 28 -2.615 -9.919 3.329 1.00 2.06 H new ATOM 0 HB3 GLU A 28 -3.427 -8.574 4.106 1.00 2.06 H new ATOM 0 HG2 GLU A 28 -3.168 -11.086 5.736 1.00 2.71 H new ATOM 0 HG3 GLU A 28 -1.681 -10.215 5.412 1.00 2.71 H new ATOM 410 N ASP A 29 -6.208 -8.683 2.891 1.00 1.23 N ATOM 411 CA ASP A 29 -6.835 -7.876 1.856 1.00 1.11 C ATOM 412 C ASP A 29 -5.831 -6.831 1.385 1.00 0.97 C ATOM 413 O ASP A 29 -5.372 -5.998 2.172 1.00 1.31 O ATOM 414 CB ASP A 29 -8.099 -7.190 2.390 1.00 1.50 C ATOM 415 CG ASP A 29 -9.308 -8.118 2.322 1.00 2.00 C ATOM 416 OD1 ASP A 29 -9.878 -8.406 3.397 1.00 2.62 O ATOM 417 OD2 ASP A 29 -9.647 -8.512 1.184 1.00 3.14 O ATOM 0 H ASP A 29 -6.521 -8.461 3.836 1.00 1.23 H new ATOM 0 HA ASP A 29 -7.130 -8.516 1.025 1.00 1.11 H new ATOM 0 HB2 ASP A 29 -7.937 -6.877 3.421 1.00 1.50 H new ATOM 0 HB3 ASP A 29 -8.298 -6.288 1.811 1.00 1.50 H new ATOM 422 N VAL A 30 -5.487 -6.844 0.098 1.00 0.78 N ATOM 423 CA VAL A 30 -4.639 -5.817 -0.486 1.00 0.77 C ATOM 424 C VAL A 30 -5.538 -4.815 -1.199 1.00 0.77 C ATOM 425 O VAL A 30 -6.573 -5.161 -1.763 1.00 0.97 O ATOM 426 CB VAL A 30 -3.599 -6.419 -1.442 1.00 0.95 C ATOM 427 CG1 VAL A 30 -2.444 -5.458 -1.728 1.00 2.67 C ATOM 428 CG2 VAL A 30 -2.987 -7.709 -0.877 1.00 2.28 C ATOM 0 H VAL A 30 -5.788 -7.562 -0.561 1.00 0.78 H new ATOM 0 HA VAL A 30 -4.074 -5.315 0.299 1.00 0.77 H new ATOM 0 HB VAL A 30 -4.145 -6.626 -2.363 1.00 0.95 H new ATOM 0 HG11 VAL A 30 -1.737 -5.932 -2.409 1.00 2.67 H new ATOM 0 HG12 VAL A 30 -2.833 -4.548 -2.184 1.00 2.67 H new ATOM 0 HG13 VAL A 30 -1.938 -5.209 -0.795 1.00 2.67 H new ATOM 0 HG21 VAL A 30 -2.256 -8.104 -1.582 1.00 2.28 H new ATOM 0 HG22 VAL A 30 -2.496 -7.493 0.072 1.00 2.28 H new ATOM 0 HG23 VAL A 30 -3.774 -8.446 -0.719 1.00 2.28 H new ATOM 438 N ARG A 31 -5.103 -3.562 -1.208 1.00 0.79 N ATOM 439 CA ARG A 31 -5.744 -2.456 -1.887 1.00 0.84 C ATOM 440 C ARG A 31 -4.641 -1.740 -2.654 1.00 0.80 C ATOM 441 O ARG A 31 -3.970 -0.867 -2.109 1.00 1.13 O ATOM 442 CB ARG A 31 -6.425 -1.538 -0.857 1.00 0.92 C ATOM 443 CG ARG A 31 -7.064 -0.322 -1.548 1.00 1.43 C ATOM 444 CD ARG A 31 -7.565 0.711 -0.533 1.00 1.79 C ATOM 445 NE ARG A 31 -7.720 2.038 -1.154 1.00 2.95 N ATOM 446 CZ ARG A 31 -8.693 2.416 -1.995 1.00 3.52 C ATOM 447 NH1 ARG A 31 -8.666 3.629 -2.552 1.00 4.83 N ATOM 448 NH2 ARG A 31 -9.691 1.578 -2.281 1.00 3.65 N ATOM 0 H ARG A 31 -4.254 -3.282 -0.718 1.00 0.79 H new ATOM 0 HA ARG A 31 -6.526 -2.783 -2.572 1.00 0.84 H new ATOM 0 HB2 ARG A 31 -7.188 -2.096 -0.314 1.00 0.92 H new ATOM 0 HB3 ARG A 31 -5.693 -1.202 -0.123 1.00 0.92 H new ATOM 0 HG2 ARG A 31 -6.335 0.144 -2.211 1.00 1.43 H new ATOM 0 HG3 ARG A 31 -7.895 -0.653 -2.170 1.00 1.43 H new ATOM 0 HD2 ARG A 31 -8.520 0.386 -0.121 1.00 1.79 H new ATOM 0 HD3 ARG A 31 -6.864 0.776 0.299 1.00 1.79 H new ATOM 0 HE ARG A 31 -7.017 2.739 -0.921 1.00 2.95 H new ATOM 0 HH11 ARG A 31 -7.903 4.272 -2.338 1.00 4.83 H new ATOM 0 HH12 ARG A 31 -9.408 3.913 -3.191 1.00 4.83 H new ATOM 0 HH21 ARG A 31 -9.714 0.649 -1.860 1.00 3.65 H new ATOM 0 HH22 ARG A 31 -10.431 1.866 -2.921 1.00 3.65 H new ATOM 462 N ARG A 32 -4.438 -2.095 -3.923 1.00 0.96 N ATOM 463 CA ARG A 32 -3.547 -1.298 -4.754 1.00 0.95 C ATOM 464 C ARG A 32 -4.136 0.095 -4.863 1.00 0.95 C ATOM 465 O ARG A 32 -5.317 0.260 -5.161 1.00 1.17 O ATOM 466 CB ARG A 32 -3.311 -1.917 -6.138 1.00 1.04 C ATOM 467 CG ARG A 32 -4.588 -2.142 -6.960 1.00 1.29 C ATOM 468 CD ARG A 32 -4.846 -1.041 -7.995 1.00 1.08 C ATOM 469 NE ARG A 32 -6.104 -1.292 -8.714 1.00 1.41 N ATOM 470 CZ ARG A 32 -6.490 -0.678 -9.840 1.00 1.96 C ATOM 471 NH1 ARG A 32 -7.644 -1.015 -10.418 1.00 2.35 N ATOM 472 NH2 ARG A 32 -5.721 0.267 -10.382 1.00 2.80 N ATOM 0 H ARG A 32 -4.863 -2.901 -4.382 1.00 0.96 H new ATOM 0 HA ARG A 32 -2.563 -1.261 -4.286 1.00 0.95 H new ATOM 0 HB2 ARG A 32 -2.640 -1.269 -6.702 1.00 1.04 H new ATOM 0 HB3 ARG A 32 -2.801 -2.872 -6.013 1.00 1.04 H new ATOM 0 HG2 ARG A 32 -4.518 -3.102 -7.471 1.00 1.29 H new ATOM 0 HG3 ARG A 32 -5.441 -2.202 -6.284 1.00 1.29 H new ATOM 0 HD2 ARG A 32 -4.891 -0.071 -7.499 1.00 1.08 H new ATOM 0 HD3 ARG A 32 -4.018 -0.999 -8.703 1.00 1.08 H new ATOM 0 HE ARG A 32 -6.735 -1.992 -8.323 1.00 1.41 H new ATOM 0 HH11 ARG A 32 -8.230 -1.739 -10.002 1.00 2.35 H new ATOM 0 HH12 ARG A 32 -7.940 -0.549 -11.276 1.00 2.35 H new ATOM 0 HH21 ARG A 32 -4.838 0.522 -9.939 1.00 2.80 H new ATOM 0 HH22 ARG A 32 -6.015 0.734 -11.240 1.00 2.80 H new ATOM 486 N LEU A 33 -3.304 1.096 -4.626 1.00 0.90 N ATOM 487 CA LEU A 33 -3.635 2.473 -4.863 1.00 0.92 C ATOM 488 C LEU A 33 -3.801 2.665 -6.373 1.00 0.98 C ATOM 489 O LEU A 33 -3.160 1.959 -7.153 1.00 1.06 O ATOM 490 CB LEU A 33 -2.490 3.320 -4.292 1.00 1.00 C ATOM 491 CG LEU A 33 -2.228 3.042 -2.797 1.00 0.77 C ATOM 492 CD1 LEU A 33 -1.310 4.127 -2.231 1.00 1.95 C ATOM 493 CD2 LEU A 33 -3.509 2.932 -1.961 1.00 1.37 C ATOM 0 H LEU A 33 -2.363 0.961 -4.256 1.00 0.90 H new ATOM 0 HA LEU A 33 -4.565 2.775 -4.382 1.00 0.92 H new ATOM 0 HB2 LEU A 33 -1.580 3.122 -4.859 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.724 4.376 -4.425 1.00 1.00 H new ATOM 0 HG LEU A 33 -1.745 2.067 -2.733 1.00 0.77 H new ATOM 0 HD11 LEU A 33 -1.124 3.932 -1.175 1.00 1.95 H new ATOM 0 HD12 LEU A 33 -0.364 4.122 -2.773 1.00 1.95 H new ATOM 0 HD13 LEU A 33 -1.787 5.101 -2.342 1.00 1.95 H new ATOM 0 HD21 LEU A 33 -3.249 2.736 -0.921 1.00 1.37 H new ATOM 0 HD22 LEU A 33 -4.067 3.866 -2.026 1.00 1.37 H new ATOM 0 HD23 LEU A 33 -4.123 2.116 -2.341 1.00 1.37 H new ATOM 505 N PRO A 34 -4.621 3.632 -6.809 1.00 1.00 N ATOM 506 CA PRO A 34 -4.847 3.898 -8.222 1.00 1.10 C ATOM 507 C PRO A 34 -3.551 4.287 -8.937 1.00 1.12 C ATOM 508 O PRO A 34 -3.386 3.966 -10.110 1.00 1.43 O ATOM 509 CB PRO A 34 -5.910 5.001 -8.271 1.00 1.20 C ATOM 510 CG PRO A 34 -5.791 5.687 -6.911 1.00 1.12 C ATOM 511 CD PRO A 34 -5.405 4.533 -5.988 1.00 1.02 C ATOM 0 HA PRO A 34 -5.193 3.010 -8.751 1.00 1.10 H new ATOM 0 HB2 PRO A 34 -5.725 5.698 -9.088 1.00 1.20 H new ATOM 0 HB3 PRO A 34 -6.907 4.588 -8.424 1.00 1.20 H new ATOM 0 HG2 PRO A 34 -5.034 6.471 -6.918 1.00 1.12 H new ATOM 0 HG3 PRO A 34 -6.729 6.152 -6.608 1.00 1.12 H new ATOM 0 HD2 PRO A 34 -4.829 4.889 -5.134 1.00 1.02 H new ATOM 0 HD3 PRO A 34 -6.289 4.034 -5.591 1.00 1.02 H new ATOM 519 N CYS A 35 -2.607 4.919 -8.229 1.00 0.94 N ATOM 520 CA CYS A 35 -1.267 5.126 -8.740 1.00 1.03 C ATOM 521 C CYS A 35 -0.472 3.970 -8.154 1.00 0.66 C ATOM 522 O CYS A 35 0.191 4.118 -7.112 1.00 1.15 O ATOM 523 CB CYS A 35 -0.732 6.506 -8.322 1.00 1.49 C ATOM 524 SG CYS A 35 1.090 6.501 -8.313 1.00 2.86 S ATOM 0 H CYS A 35 -2.759 5.295 -7.293 1.00 0.94 H new ATOM 0 HA CYS A 35 -1.209 5.132 -9.828 1.00 1.03 H new ATOM 0 HB2 CYS A 35 -1.097 7.269 -9.010 1.00 1.49 H new ATOM 0 HB3 CYS A 35 -1.107 6.764 -7.332 1.00 1.49 H new ATOM 529 N MET A 36 -0.608 2.841 -8.845 1.00 1.00 N ATOM 530 CA MET A 36 0.120 1.596 -8.764 1.00 1.11 C ATOM 531 C MET A 36 1.133 1.559 -7.634 1.00 1.06 C ATOM 532 O MET A 36 2.339 1.658 -7.839 1.00 1.18 O ATOM 533 CB MET A 36 0.825 1.292 -10.094 1.00 1.41 C ATOM 534 CG MET A 36 -0.148 1.005 -11.236 1.00 1.67 C ATOM 535 SD MET A 36 0.702 0.489 -12.750 1.00 2.70 S ATOM 536 CE MET A 36 -0.711 -0.064 -13.736 1.00 2.85 C ATOM 0 H MET A 36 -1.327 2.781 -9.566 1.00 1.00 H new ATOM 0 HA MET A 36 -0.626 0.830 -8.551 1.00 1.11 H new ATOM 0 HB2 MET A 36 1.455 2.139 -10.366 1.00 1.41 H new ATOM 0 HB3 MET A 36 1.484 0.434 -9.961 1.00 1.41 H new ATOM 0 HG2 MET A 36 -0.845 0.225 -10.929 1.00 1.67 H new ATOM 0 HG3 MET A 36 -0.739 1.898 -11.440 1.00 1.67 H new ATOM 0 HE1 MET A 36 -0.362 -0.416 -14.707 1.00 2.85 H new ATOM 0 HE2 MET A 36 -1.221 -0.876 -13.217 1.00 2.85 H new ATOM 0 HE3 MET A 36 -1.402 0.767 -13.879 1.00 2.85 H new ATOM 546 N HIS A 37 0.622 1.359 -6.430 1.00 0.99 N ATOM 547 CA HIS A 37 1.453 1.029 -5.292 1.00 1.03 C ATOM 548 C HIS A 37 0.672 -0.003 -4.485 1.00 1.06 C ATOM 549 O HIS A 37 -0.462 0.252 -4.082 1.00 1.39 O ATOM 550 CB HIS A 37 1.826 2.309 -4.527 1.00 0.97 C ATOM 551 CG HIS A 37 2.993 3.051 -5.155 1.00 1.12 C ATOM 552 ND1 HIS A 37 2.945 4.205 -5.952 1.00 1.07 N ATOM 553 CD2 HIS A 37 4.301 2.679 -5.012 1.00 1.59 C ATOM 554 CE1 HIS A 37 4.215 4.496 -6.264 1.00 1.50 C ATOM 555 NE2 HIS A 37 5.053 3.596 -5.717 1.00 1.79 N ATOM 0 H HIS A 37 -0.374 1.421 -6.218 1.00 0.99 H new ATOM 0 HA HIS A 37 2.413 0.592 -5.566 1.00 1.03 H new ATOM 0 HB2 HIS A 37 0.960 2.969 -4.489 1.00 0.97 H new ATOM 0 HB3 HIS A 37 2.076 2.052 -3.498 1.00 0.97 H new ATOM 0 HD2 HIS A 37 4.673 1.832 -4.455 1.00 1.59 H new ATOM 0 HE1 HIS A 37 4.523 5.335 -6.870 1.00 1.50 H new ATOM 0 HE2 HIS A 37 6.069 3.592 -5.808 1.00 1.79 H new ATOM 563 N LEU A 38 1.236 -1.206 -4.351 1.00 1.13 N ATOM 564 CA LEU A 38 0.639 -2.314 -3.620 1.00 1.18 C ATOM 565 C LEU A 38 0.761 -2.021 -2.137 1.00 0.89 C ATOM 566 O LEU A 38 1.866 -1.746 -1.684 1.00 1.25 O ATOM 567 CB LEU A 38 1.406 -3.602 -3.959 1.00 2.00 C ATOM 568 CG LEU A 38 1.075 -4.782 -3.023 1.00 1.43 C ATOM 569 CD1 LEU A 38 0.978 -6.056 -3.850 1.00 1.86 C ATOM 570 CD2 LEU A 38 2.136 -5.002 -1.937 1.00 3.00 C ATOM 0 H LEU A 38 2.142 -1.437 -4.759 1.00 1.13 H new ATOM 0 HA LEU A 38 -0.410 -2.437 -3.890 1.00 1.18 H new ATOM 0 HB2 LEU A 38 1.181 -3.889 -4.986 1.00 2.00 H new ATOM 0 HB3 LEU A 38 2.476 -3.401 -3.912 1.00 2.00 H new ATOM 0 HG LEU A 38 0.134 -4.541 -2.529 1.00 1.43 H new ATOM 0 HD11 LEU A 38 0.744 -6.897 -3.197 1.00 1.86 H new ATOM 0 HD12 LEU A 38 0.191 -5.946 -4.596 1.00 1.86 H new ATOM 0 HD13 LEU A 38 1.929 -6.239 -4.350 1.00 1.86 H new ATOM 0 HD21 LEU A 38 1.846 -5.846 -1.311 1.00 3.00 H new ATOM 0 HD22 LEU A 38 3.098 -5.211 -2.405 1.00 3.00 H new ATOM 0 HD23 LEU A 38 2.219 -4.106 -1.322 1.00 3.00 H new ATOM 582 N PHE A 39 -0.332 -2.137 -1.381 1.00 0.71 N ATOM 583 CA PHE A 39 -0.288 -2.054 0.069 1.00 0.89 C ATOM 584 C PHE A 39 -1.469 -2.846 0.622 1.00 1.20 C ATOM 585 O PHE A 39 -2.536 -2.875 0.018 1.00 2.60 O ATOM 586 CB PHE A 39 -0.383 -0.594 0.531 1.00 1.12 C ATOM 587 CG PHE A 39 0.792 0.309 0.195 1.00 1.06 C ATOM 588 CD1 PHE A 39 2.103 -0.054 0.564 1.00 1.95 C ATOM 589 CD2 PHE A 39 0.575 1.543 -0.446 1.00 2.68 C ATOM 590 CE1 PHE A 39 3.183 0.799 0.283 1.00 2.24 C ATOM 591 CE2 PHE A 39 1.654 2.405 -0.714 1.00 2.70 C ATOM 592 CZ PHE A 39 2.959 2.031 -0.354 1.00 1.56 C ATOM 0 H PHE A 39 -1.266 -2.290 -1.760 1.00 0.71 H new ATOM 0 HA PHE A 39 0.655 -2.463 0.433 1.00 0.89 H new ATOM 0 HB2 PHE A 39 -1.282 -0.158 0.096 1.00 1.12 H new ATOM 0 HB3 PHE A 39 -0.518 -0.588 1.613 1.00 1.12 H new ATOM 0 HD1 PHE A 39 2.278 -0.994 1.066 1.00 1.95 H new ATOM 0 HD2 PHE A 39 -0.426 1.830 -0.734 1.00 2.68 H new ATOM 0 HE1 PHE A 39 4.186 0.508 0.557 1.00 2.24 H new ATOM 0 HE2 PHE A 39 1.479 3.355 -1.197 1.00 2.70 H new ATOM 0 HZ PHE A 39 3.789 2.689 -0.566 1.00 1.56 H new ATOM 602 N HIS A 40 -1.283 -3.497 1.766 1.00 0.60 N ATOM 603 CA HIS A 40 -2.354 -4.112 2.548 1.00 0.61 C ATOM 604 C HIS A 40 -3.298 -3.018 3.035 1.00 0.73 C ATOM 605 O HIS A 40 -2.843 -1.916 3.320 1.00 1.39 O ATOM 606 CB HIS A 40 -1.664 -4.865 3.687 1.00 0.95 C ATOM 607 CG HIS A 40 -2.383 -5.136 4.972 1.00 1.02 C ATOM 608 ND1 HIS A 40 -1.727 -5.297 6.197 1.00 1.21 N ATOM 609 CD2 HIS A 40 -3.661 -5.605 5.075 1.00 1.56 C ATOM 610 CE1 HIS A 40 -2.633 -5.867 7.002 1.00 1.89 C ATOM 611 NE2 HIS A 40 -3.809 -6.038 6.371 1.00 2.15 N ATOM 0 H HIS A 40 -0.361 -3.615 2.187 1.00 0.60 H new ATOM 0 HA HIS A 40 -2.965 -4.811 1.976 1.00 0.61 H new ATOM 0 HB2 HIS A 40 -1.347 -5.828 3.288 1.00 0.95 H new ATOM 0 HB3 HIS A 40 -0.760 -4.310 3.937 1.00 0.95 H new ATOM 0 HD2 HIS A 40 -4.407 -5.631 4.294 1.00 1.56 H new ATOM 0 HE1 HIS A 40 -2.444 -6.153 8.026 1.00 1.89 H new ATOM 0 HE2 HIS A 40 -4.660 -6.421 6.782 1.00 2.15 H new ATOM 619 N GLN A 41 -4.600 -3.286 3.146 1.00 0.79 N ATOM 620 CA GLN A 41 -5.541 -2.243 3.527 1.00 1.03 C ATOM 621 C GLN A 41 -5.152 -1.624 4.871 1.00 1.04 C ATOM 622 O GLN A 41 -5.098 -0.404 5.006 1.00 1.50 O ATOM 623 CB GLN A 41 -6.976 -2.791 3.568 1.00 1.36 C ATOM 624 CG GLN A 41 -7.992 -1.642 3.674 1.00 1.89 C ATOM 625 CD GLN A 41 -9.392 -2.141 4.018 1.00 1.82 C ATOM 626 OE1 GLN A 41 -9.854 -3.142 3.488 1.00 2.04 O ATOM 627 NE2 GLN A 41 -10.098 -1.449 4.904 1.00 3.06 N ATOM 0 H GLN A 41 -5.018 -4.202 2.980 1.00 0.79 H new ATOM 0 HA GLN A 41 -5.502 -1.458 2.772 1.00 1.03 H new ATOM 0 HB2 GLN A 41 -7.173 -3.376 2.670 1.00 1.36 H new ATOM 0 HB3 GLN A 41 -7.090 -3.464 4.418 1.00 1.36 H new ATOM 0 HG2 GLN A 41 -7.662 -0.937 4.437 1.00 1.89 H new ATOM 0 HG3 GLN A 41 -8.024 -1.099 2.730 1.00 1.89 H new ATOM 0 HE21 GLN A 41 -9.698 -0.617 5.337 1.00 3.06 H new ATOM 0 HE22 GLN A 41 -11.041 -1.750 5.152 1.00 3.06 H new ATOM 636 N VAL A 42 -4.894 -2.465 5.872 1.00 0.76 N ATOM 637 CA VAL A 42 -4.525 -1.966 7.189 1.00 0.83 C ATOM 638 C VAL A 42 -3.163 -1.277 7.124 1.00 0.89 C ATOM 639 O VAL A 42 -2.987 -0.257 7.784 1.00 1.25 O ATOM 640 CB VAL A 42 -4.566 -3.079 8.249 1.00 0.83 C ATOM 641 CG1 VAL A 42 -4.323 -2.520 9.655 1.00 0.90 C ATOM 642 CG2 VAL A 42 -5.930 -3.783 8.244 1.00 1.02 C ATOM 0 H VAL A 42 -4.934 -3.481 5.795 1.00 0.76 H new ATOM 0 HA VAL A 42 -5.261 -1.225 7.499 1.00 0.83 H new ATOM 0 HB VAL A 42 -3.776 -3.786 7.997 1.00 0.83 H new ATOM 0 HG11 VAL A 42 -4.358 -3.333 10.381 1.00 0.90 H new ATOM 0 HG12 VAL A 42 -3.344 -2.042 9.692 1.00 0.90 H new ATOM 0 HG13 VAL A 42 -5.094 -1.787 9.893 1.00 0.90 H new ATOM 0 HG21 VAL A 42 -5.938 -4.567 9.001 1.00 1.02 H new ATOM 0 HG22 VAL A 42 -6.714 -3.059 8.464 1.00 1.02 H new ATOM 0 HG23 VAL A 42 -6.108 -4.224 7.263 1.00 1.02 H new ATOM 652 N CYS A 43 -2.213 -1.790 6.325 1.00 0.84 N ATOM 653 CA CYS A 43 -0.920 -1.139 6.169 1.00 1.13 C ATOM 654 C CYS A 43 -1.128 0.330 5.764 1.00 0.83 C ATOM 655 O CYS A 43 -0.552 1.235 6.369 1.00 0.98 O ATOM 656 CB CYS A 43 -0.139 -1.902 5.088 1.00 1.46 C ATOM 657 SG CYS A 43 0.955 -3.221 5.771 1.00 1.94 S ATOM 0 H CYS A 43 -2.323 -2.648 5.784 1.00 0.84 H new ATOM 0 HA CYS A 43 -0.360 -1.151 7.104 1.00 1.13 H new ATOM 0 HB2 CYS A 43 -0.844 -2.351 4.389 1.00 1.46 H new ATOM 0 HB3 CYS A 43 0.466 -1.195 4.520 1.00 1.46 H new ATOM 662 N VAL A 44 -1.922 0.582 4.717 1.00 0.61 N ATOM 663 CA VAL A 44 -2.169 1.923 4.192 1.00 0.74 C ATOM 664 C VAL A 44 -2.478 2.881 5.339 1.00 1.20 C ATOM 665 O VAL A 44 -1.847 3.933 5.443 1.00 1.41 O ATOM 666 CB VAL A 44 -3.307 1.923 3.148 1.00 1.00 C ATOM 667 CG1 VAL A 44 -3.741 3.331 2.715 1.00 2.62 C ATOM 668 CG2 VAL A 44 -2.877 1.192 1.877 1.00 1.44 C ATOM 0 H VAL A 44 -2.415 -0.151 4.207 1.00 0.61 H new ATOM 0 HA VAL A 44 -1.267 2.263 3.683 1.00 0.74 H new ATOM 0 HB VAL A 44 -4.141 1.426 3.644 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -4.543 3.255 1.981 1.00 2.62 H new ATOM 0 HG12 VAL A 44 -4.096 3.886 3.584 1.00 2.62 H new ATOM 0 HG13 VAL A 44 -2.893 3.853 2.273 1.00 2.62 H new ATOM 0 HG21 VAL A 44 -3.694 1.205 1.156 1.00 1.44 H new ATOM 0 HG22 VAL A 44 -2.007 1.689 1.448 1.00 1.44 H new ATOM 0 HG23 VAL A 44 -2.623 0.160 2.119 1.00 1.44 H new ATOM 678 N ASP A 45 -3.409 2.522 6.228 1.00 1.42 N ATOM 679 CA ASP A 45 -3.814 3.428 7.298 1.00 1.94 C ATOM 680 C ASP A 45 -2.861 3.373 8.498 1.00 2.08 C ATOM 681 O ASP A 45 -3.272 3.467 9.651 1.00 2.40 O ATOM 682 CB ASP A 45 -5.265 3.164 7.712 1.00 2.24 C ATOM 683 CG ASP A 45 -5.842 4.363 8.473 1.00 3.35 C ATOM 684 OD1 ASP A 45 -5.404 5.501 8.171 1.00 4.51 O ATOM 685 OD2 ASP A 45 -6.763 4.137 9.288 1.00 3.81 O ATOM 0 H ASP A 45 -3.889 1.622 6.226 1.00 1.42 H new ATOM 0 HA ASP A 45 -3.755 4.444 6.906 1.00 1.94 H new ATOM 0 HB2 ASP A 45 -5.870 2.964 6.827 1.00 2.24 H new ATOM 0 HB3 ASP A 45 -5.313 2.273 8.338 1.00 2.24 H new ATOM 690 N GLN A 46 -1.561 3.254 8.230 1.00 1.94 N ATOM 691 CA GLN A 46 -0.513 3.288 9.233 1.00 2.22 C ATOM 692 C GLN A 46 0.618 4.210 8.777 1.00 2.29 C ATOM 693 O GLN A 46 1.121 5.005 9.566 1.00 2.81 O ATOM 694 CB GLN A 46 -0.027 1.862 9.529 1.00 2.16 C ATOM 695 CG GLN A 46 0.140 1.660 11.037 1.00 2.13 C ATOM 696 CD GLN A 46 0.652 0.263 11.380 1.00 2.57 C ATOM 697 OE1 GLN A 46 1.139 -0.473 10.531 1.00 3.32 O ATOM 698 NE2 GLN A 46 0.562 -0.130 12.643 1.00 2.98 N ATOM 0 H GLN A 46 -1.205 3.128 7.282 1.00 1.94 H new ATOM 0 HA GLN A 46 -0.904 3.696 10.165 1.00 2.22 H new ATOM 0 HB2 GLN A 46 -0.741 1.138 9.135 1.00 2.16 H new ATOM 0 HB3 GLN A 46 0.922 1.682 9.024 1.00 2.16 H new ATOM 0 HG2 GLN A 46 0.834 2.405 11.427 1.00 2.13 H new ATOM 0 HG3 GLN A 46 -0.817 1.826 11.532 1.00 2.13 H new ATOM 0 HE21 GLN A 46 0.155 0.491 13.342 1.00 2.98 H new ATOM 0 HE22 GLN A 46 0.900 -1.053 12.915 1.00 2.98 H new ATOM 707 N ARG A 47 1.022 4.138 7.503 1.00 1.84 N ATOM 708 CA ARG A 47 2.004 5.081 6.961 1.00 1.83 C ATOM 709 C ARG A 47 1.319 6.318 6.406 1.00 1.73 C ATOM 710 O ARG A 47 1.873 7.406 6.517 1.00 1.88 O ATOM 711 CB ARG A 47 2.854 4.415 5.878 1.00 1.68 C ATOM 712 CG ARG A 47 4.006 5.272 5.352 1.00 1.80 C ATOM 713 CD ARG A 47 4.774 4.445 4.308 1.00 1.85 C ATOM 714 NE ARG A 47 6.211 4.752 4.314 1.00 2.19 N ATOM 715 CZ ARG A 47 7.112 4.209 5.147 1.00 2.46 C ATOM 716 NH1 ARG A 47 8.397 4.549 5.049 1.00 2.93 N ATOM 717 NH2 ARG A 47 6.731 3.333 6.079 1.00 3.19 N ATOM 0 H ARG A 47 0.687 3.444 6.835 1.00 1.84 H new ATOM 0 HA ARG A 47 2.659 5.388 7.776 1.00 1.83 H new ATOM 0 HB2 ARG A 47 3.263 3.486 6.276 1.00 1.68 H new ATOM 0 HB3 ARG A 47 2.208 4.147 5.042 1.00 1.68 H new ATOM 0 HG2 ARG A 47 3.625 6.190 4.906 1.00 1.80 H new ATOM 0 HG3 ARG A 47 4.667 5.565 6.168 1.00 1.80 H new ATOM 0 HD2 ARG A 47 4.629 3.383 4.508 1.00 1.85 H new ATOM 0 HD3 ARG A 47 4.365 4.642 3.317 1.00 1.85 H new ATOM 0 HE ARG A 47 6.550 5.431 3.632 1.00 2.19 H new ATOM 0 HH11 ARG A 47 8.694 5.221 4.342 1.00 2.93 H new ATOM 0 HH12 ARG A 47 9.083 4.137 5.681 1.00 2.93 H new ATOM 0 HH21 ARG A 47 5.749 3.072 6.162 1.00 3.19 H new ATOM 0 HH22 ARG A 47 7.422 2.925 6.708 1.00 3.19 H new ATOM 731 N LEU A 48 0.177 6.158 5.731 1.00 1.57 N ATOM 732 CA LEU A 48 -0.477 7.301 5.120 1.00 1.61 C ATOM 733 C LEU A 48 -1.184 8.107 6.205 1.00 2.20 C ATOM 734 O LEU A 48 -0.815 9.257 6.392 1.00 3.61 O ATOM 735 CB LEU A 48 -1.425 6.899 3.976 1.00 1.36 C ATOM 736 CG LEU A 48 -0.749 6.426 2.673 1.00 0.94 C ATOM 737 CD1 LEU A 48 0.310 7.409 2.165 1.00 1.01 C ATOM 738 CD2 LEU A 48 -0.102 5.046 2.787 1.00 0.75 C ATOM 0 H LEU A 48 -0.299 5.266 5.599 1.00 1.57 H new ATOM 0 HA LEU A 48 0.281 7.928 4.651 1.00 1.61 H new ATOM 0 HB2 LEU A 48 -2.077 6.102 4.334 1.00 1.36 H new ATOM 0 HB3 LEU A 48 -2.063 7.752 3.742 1.00 1.36 H new ATOM 0 HG LEU A 48 -1.571 6.371 1.959 1.00 0.94 H new ATOM 0 HD11 LEU A 48 0.752 7.025 1.246 1.00 1.01 H new ATOM 0 HD12 LEU A 48 -0.155 8.375 1.968 1.00 1.01 H new ATOM 0 HD13 LEU A 48 1.088 7.528 2.920 1.00 1.01 H new ATOM 0 HD21 LEU A 48 0.354 4.778 1.834 1.00 0.75 H new ATOM 0 HD22 LEU A 48 0.664 5.066 3.562 1.00 0.75 H new ATOM 0 HD23 LEU A 48 -0.861 4.308 3.046 1.00 0.75 H new ATOM 750 N ILE A 49 -2.173 7.518 6.896 1.00 1.38 N ATOM 751 CA ILE A 49 -2.990 8.138 7.949 1.00 1.71 C ATOM 752 C ILE A 49 -3.473 9.539 7.546 1.00 1.02 C ATOM 753 O ILE A 49 -2.767 10.529 7.699 1.00 2.04 O ATOM 754 CB ILE A 49 -2.248 8.129 9.304 1.00 2.54 C ATOM 755 CG1 ILE A 49 -2.005 6.679 9.759 1.00 2.70 C ATOM 756 CG2 ILE A 49 -3.058 8.873 10.384 1.00 3.33 C ATOM 757 CD1 ILE A 49 -1.174 6.600 11.046 1.00 4.46 C ATOM 0 H ILE A 49 -2.437 6.548 6.726 1.00 1.38 H new ATOM 0 HA ILE A 49 -3.889 7.534 8.076 1.00 1.71 H new ATOM 0 HB ILE A 49 -1.294 8.639 9.170 1.00 2.54 H new ATOM 0 HG12 ILE A 49 -2.964 6.186 9.918 1.00 2.70 H new ATOM 0 HG13 ILE A 49 -1.494 6.133 8.966 1.00 2.70 H new ATOM 0 HG21 ILE A 49 -2.512 8.851 11.327 1.00 3.33 H new ATOM 0 HG22 ILE A 49 -3.210 9.908 10.077 1.00 3.33 H new ATOM 0 HG23 ILE A 49 -4.025 8.387 10.513 1.00 3.33 H new ATOM 0 HD11 ILE A 49 -1.032 5.556 11.324 1.00 4.46 H new ATOM 0 HD12 ILE A 49 -0.203 7.067 10.882 1.00 4.46 H new ATOM 0 HD13 ILE A 49 -1.696 7.121 11.849 1.00 4.46 H new ATOM 769 N THR A 50 -4.699 9.637 7.026 1.00 2.05 N ATOM 770 CA THR A 50 -5.291 10.874 6.503 1.00 2.99 C ATOM 771 C THR A 50 -4.444 11.557 5.406 1.00 2.74 C ATOM 772 O THR A 50 -4.770 12.655 4.956 1.00 3.73 O ATOM 773 CB THR A 50 -5.753 11.794 7.662 1.00 4.08 C ATOM 774 OG1 THR A 50 -6.817 12.623 7.239 1.00 5.43 O ATOM 775 CG2 THR A 50 -4.695 12.707 8.292 1.00 4.07 C ATOM 0 H THR A 50 -5.326 8.836 6.954 1.00 2.05 H new ATOM 0 HA THR A 50 -6.196 10.607 5.957 1.00 2.99 H new ATOM 0 HB THR A 50 -6.039 11.080 8.434 1.00 4.08 H new ATOM 0 HG1 THR A 50 -6.626 12.967 6.341 1.00 5.43 H new ATOM 0 HG21 THR A 50 -5.150 13.296 9.088 1.00 4.07 H new ATOM 0 HG22 THR A 50 -3.889 12.100 8.705 1.00 4.07 H new ATOM 0 HG23 THR A 50 -4.292 13.376 7.531 1.00 4.07 H new ATOM 783 N ASN A 51 -3.407 10.887 4.890 1.00 1.68 N ATOM 784 CA ASN A 51 -2.673 11.319 3.711 1.00 1.52 C ATOM 785 C ASN A 51 -3.182 10.510 2.522 1.00 1.38 C ATOM 786 O ASN A 51 -3.619 9.373 2.678 1.00 1.56 O ATOM 787 CB ASN A 51 -1.170 11.107 3.909 1.00 1.38 C ATOM 788 CG ASN A 51 -0.373 11.591 2.706 1.00 1.54 C ATOM 789 OD1 ASN A 51 -0.817 12.457 1.960 1.00 1.87 O ATOM 790 ND2 ASN A 51 0.797 11.016 2.472 1.00 1.97 N ATOM 0 H ASN A 51 -3.055 10.018 5.291 1.00 1.68 H new ATOM 0 HA ASN A 51 -2.831 12.383 3.534 1.00 1.52 H new ATOM 0 HB2 ASN A 51 -0.841 11.639 4.802 1.00 1.38 H new ATOM 0 HB3 ASN A 51 -0.970 10.049 4.077 1.00 1.38 H new ATOM 0 HD21 ASN A 51 1.347 11.292 1.658 1.00 1.97 H new ATOM 0 HD22 ASN A 51 1.148 10.298 3.105 1.00 1.97 H new ATOM 797 N LYS A 52 -3.156 11.105 1.333 1.00 1.33 N ATOM 798 CA LYS A 52 -3.784 10.557 0.149 1.00 1.33 C ATOM 799 C LYS A 52 -2.938 10.951 -1.047 1.00 1.20 C ATOM 800 O LYS A 52 -3.444 11.498 -2.017 1.00 1.39 O ATOM 801 CB LYS A 52 -5.234 11.059 0.034 1.00 1.57 C ATOM 802 CG LYS A 52 -5.454 12.539 0.395 1.00 1.92 C ATOM 803 CD LYS A 52 -5.855 12.677 1.871 1.00 2.05 C ATOM 804 CE LYS A 52 -6.092 14.126 2.289 1.00 3.10 C ATOM 805 NZ LYS A 52 -7.318 14.662 1.669 1.00 3.82 N ATOM 0 H LYS A 52 -2.688 11.997 1.169 1.00 1.33 H new ATOM 0 HA LYS A 52 -3.839 9.470 0.200 1.00 1.33 H new ATOM 0 HB2 LYS A 52 -5.576 10.898 -0.988 1.00 1.57 H new ATOM 0 HB3 LYS A 52 -5.864 10.448 0.681 1.00 1.57 H new ATOM 0 HG2 LYS A 52 -4.542 13.106 0.205 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -6.231 12.963 -0.241 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -6.761 12.099 2.052 1.00 2.05 H new ATOM 0 HD3 LYS A 52 -5.073 12.247 2.497 1.00 2.05 H new ATOM 0 HE2 LYS A 52 -6.173 14.186 3.374 1.00 3.10 H new ATOM 0 HE3 LYS A 52 -5.237 14.736 1.999 1.00 3.10 H new ATOM 0 HZ1 LYS A 52 -7.802 15.290 2.342 1.00 3.82 H new ATOM 0 HZ2 LYS A 52 -7.069 15.198 0.814 1.00 3.82 H new ATOM 0 HZ3 LYS A 52 -7.950 13.876 1.413 1.00 3.82 H new ATOM 819 N LYS A 53 -1.647 10.635 -1.000 1.00 0.98 N ATOM 820 CA LYS A 53 -0.716 10.838 -2.103 1.00 0.86 C ATOM 821 C LYS A 53 0.286 9.693 -2.059 1.00 0.85 C ATOM 822 O LYS A 53 0.474 9.084 -1.006 1.00 1.13 O ATOM 823 CB LYS A 53 -0.022 12.206 -2.011 1.00 0.96 C ATOM 824 CG LYS A 53 -0.990 13.269 -2.535 1.00 2.74 C ATOM 825 CD LYS A 53 -0.347 14.609 -2.887 1.00 3.08 C ATOM 826 CE LYS A 53 -1.458 15.321 -3.656 1.00 5.02 C ATOM 827 NZ LYS A 53 -1.117 16.654 -4.171 1.00 5.46 N ATOM 0 H LYS A 53 -1.211 10.222 -0.176 1.00 0.98 H new ATOM 0 HA LYS A 53 -1.247 10.839 -3.055 1.00 0.86 H new ATOM 0 HB2 LYS A 53 0.258 12.422 -0.980 1.00 0.96 H new ATOM 0 HB3 LYS A 53 0.897 12.206 -2.597 1.00 0.96 H new ATOM 0 HG2 LYS A 53 -1.490 12.879 -3.422 1.00 2.74 H new ATOM 0 HG3 LYS A 53 -1.761 13.439 -1.783 1.00 2.74 H new ATOM 0 HD2 LYS A 53 -0.052 15.163 -1.996 1.00 3.08 H new ATOM 0 HD3 LYS A 53 0.549 14.481 -3.495 1.00 3.08 H new ATOM 0 HE2 LYS A 53 -1.756 14.692 -4.495 1.00 5.02 H new ATOM 0 HE3 LYS A 53 -2.326 15.414 -3.003 1.00 5.02 H new ATOM 0 HZ1 LYS A 53 -1.935 17.051 -4.676 1.00 5.46 H new ATOM 0 HZ2 LYS A 53 -0.863 17.278 -3.379 1.00 5.46 H new ATOM 0 HZ3 LYS A 53 -0.311 16.578 -4.824 1.00 5.46 H new ATOM 841 N CYS A 54 0.916 9.410 -3.196 1.00 0.69 N ATOM 842 CA CYS A 54 1.942 8.390 -3.336 1.00 0.79 C ATOM 843 C CYS A 54 3.282 9.113 -3.575 1.00 0.79 C ATOM 844 O CYS A 54 3.288 10.213 -4.138 1.00 0.92 O ATOM 845 CB CYS A 54 1.645 7.592 -4.609 1.00 1.01 C ATOM 846 SG CYS A 54 0.754 6.042 -4.455 1.00 1.56 S ATOM 0 H CYS A 54 0.718 9.900 -4.068 1.00 0.69 H new ATOM 0 HA CYS A 54 1.972 7.747 -2.456 1.00 0.79 H new ATOM 0 HB2 CYS A 54 1.077 8.236 -5.280 1.00 1.01 H new ATOM 0 HB3 CYS A 54 2.596 7.381 -5.098 1.00 1.01 H new ATOM 851 N PRO A 55 4.423 8.480 -3.257 1.00 1.03 N ATOM 852 CA PRO A 55 5.744 9.042 -3.504 1.00 1.34 C ATOM 853 C PRO A 55 6.020 9.103 -5.008 1.00 1.50 C ATOM 854 O PRO A 55 5.844 8.106 -5.703 1.00 2.97 O ATOM 855 CB PRO A 55 6.718 8.098 -2.797 1.00 1.90 C ATOM 856 CG PRO A 55 6.001 6.749 -2.852 1.00 1.90 C ATOM 857 CD PRO A 55 4.530 7.138 -2.707 1.00 1.35 C ATOM 0 HA PRO A 55 5.839 10.062 -3.132 1.00 1.34 H new ATOM 0 HB2 PRO A 55 7.683 8.062 -3.303 1.00 1.90 H new ATOM 0 HB3 PRO A 55 6.908 8.411 -1.770 1.00 1.90 H new ATOM 0 HG2 PRO A 55 6.191 6.229 -3.791 1.00 1.90 H new ATOM 0 HG3 PRO A 55 6.325 6.086 -2.049 1.00 1.90 H new ATOM 0 HD2 PRO A 55 3.886 6.442 -3.244 1.00 1.35 H new ATOM 0 HD3 PRO A 55 4.220 7.117 -1.662 1.00 1.35 H new ATOM 865 N ILE A 56 6.433 10.281 -5.495 1.00 1.93 N ATOM 866 CA ILE A 56 6.715 10.634 -6.894 1.00 2.45 C ATOM 867 C ILE A 56 5.692 10.088 -7.913 1.00 2.00 C ATOM 868 O ILE A 56 5.973 9.998 -9.104 1.00 2.45 O ATOM 869 CB ILE A 56 8.208 10.386 -7.220 1.00 3.38 C ATOM 870 CG1 ILE A 56 8.623 11.063 -8.541 1.00 4.68 C ATOM 871 CG2 ILE A 56 8.589 8.899 -7.228 1.00 3.12 C ATOM 872 CD1 ILE A 56 10.102 11.462 -8.551 1.00 5.46 C ATOM 0 H ILE A 56 6.591 11.074 -4.873 1.00 1.93 H new ATOM 0 HA ILE A 56 6.559 11.707 -7.009 1.00 2.45 H new ATOM 0 HB ILE A 56 8.766 10.847 -6.406 1.00 3.38 H new ATOM 0 HG12 ILE A 56 8.426 10.385 -9.371 1.00 4.68 H new ATOM 0 HG13 ILE A 56 8.009 11.949 -8.701 1.00 4.68 H new ATOM 0 HG21 ILE A 56 9.648 8.796 -7.463 1.00 3.12 H new ATOM 0 HG22 ILE A 56 8.392 8.468 -6.247 1.00 3.12 H new ATOM 0 HG23 ILE A 56 7.998 8.376 -7.980 1.00 3.12 H new ATOM 0 HD11 ILE A 56 10.345 11.935 -9.503 1.00 5.46 H new ATOM 0 HD12 ILE A 56 10.295 12.162 -7.738 1.00 5.46 H new ATOM 0 HD13 ILE A 56 10.719 10.573 -8.419 1.00 5.46 H new ATOM 884 N CYS A 57 4.464 9.835 -7.455 1.00 1.65 N ATOM 885 CA CYS A 57 3.273 9.636 -8.272 1.00 1.53 C ATOM 886 C CYS A 57 2.690 11.026 -8.549 1.00 1.55 C ATOM 887 O CYS A 57 2.352 11.365 -9.678 1.00 2.24 O ATOM 888 CB CYS A 57 2.255 8.864 -7.420 1.00 1.78 C ATOM 889 SG CYS A 57 2.319 7.035 -7.666 1.00 1.34 S ATOM 0 H CYS A 57 4.268 9.761 -6.457 1.00 1.65 H new ATOM 0 HA CYS A 57 3.497 9.102 -9.195 1.00 1.53 H new ATOM 0 HB2 CYS A 57 2.432 9.087 -6.368 1.00 1.78 H new ATOM 0 HB3 CYS A 57 1.252 9.219 -7.657 1.00 1.78 H new ATOM 894 N ARG A 58 2.490 11.805 -7.477 1.00 1.53 N ATOM 895 CA ARG A 58 1.824 13.111 -7.482 1.00 1.55 C ATOM 896 C ARG A 58 0.313 13.005 -7.724 1.00 1.48 C ATOM 897 O ARG A 58 -0.374 14.021 -7.715 1.00 2.19 O ATOM 898 CB ARG A 58 2.502 14.068 -8.481 1.00 1.72 C ATOM 899 CG ARG A 58 2.447 15.521 -7.994 1.00 2.08 C ATOM 900 CD ARG A 58 3.013 16.466 -9.059 1.00 2.25 C ATOM 901 NE ARG A 58 3.285 17.800 -8.500 1.00 2.72 N ATOM 902 CZ ARG A 58 3.537 18.907 -9.211 1.00 3.35 C ATOM 903 NH1 ARG A 58 3.840 20.046 -8.586 1.00 3.85 N ATOM 904 NH2 ARG A 58 3.492 18.874 -10.543 1.00 3.76 N ATOM 0 H ARG A 58 2.801 11.529 -6.546 1.00 1.53 H new ATOM 0 HA ARG A 58 1.937 13.533 -6.483 1.00 1.55 H new ATOM 0 HB2 ARG A 58 3.541 13.770 -8.624 1.00 1.72 H new ATOM 0 HB3 ARG A 58 2.012 13.990 -9.451 1.00 1.72 H new ATOM 0 HG2 ARG A 58 1.417 15.796 -7.766 1.00 2.08 H new ATOM 0 HG3 ARG A 58 3.016 15.623 -7.070 1.00 2.08 H new ATOM 0 HD2 ARG A 58 3.932 16.047 -9.469 1.00 2.25 H new ATOM 0 HD3 ARG A 58 2.306 16.552 -9.884 1.00 2.25 H new ATOM 0 HE ARG A 58 3.281 17.889 -7.484 1.00 2.72 H new ATOM 0 HH11 ARG A 58 3.880 20.074 -7.567 1.00 3.85 H new ATOM 0 HH12 ARG A 58 4.032 20.889 -9.127 1.00 3.85 H new ATOM 0 HH21 ARG A 58 3.265 18.004 -11.024 1.00 3.76 H new ATOM 0 HH22 ARG A 58 3.684 19.719 -11.081 1.00 3.76 H new ATOM 918 N VAL A 59 -0.207 11.792 -7.899 1.00 1.03 N ATOM 919 CA VAL A 59 -1.624 11.501 -7.997 1.00 0.96 C ATOM 920 C VAL A 59 -2.164 11.442 -6.573 1.00 0.86 C ATOM 921 O VAL A 59 -1.512 10.884 -5.685 1.00 0.81 O ATOM 922 CB VAL A 59 -1.788 10.152 -8.719 1.00 0.86 C ATOM 923 CG1 VAL A 59 -3.234 9.647 -8.731 1.00 1.14 C ATOM 924 CG2 VAL A 59 -1.309 10.268 -10.170 1.00 1.17 C ATOM 0 H VAL A 59 0.374 10.958 -7.979 1.00 1.03 H new ATOM 0 HA VAL A 59 -2.170 12.257 -8.561 1.00 0.96 H new ATOM 0 HB VAL A 59 -1.185 9.436 -8.161 1.00 0.86 H new ATOM 0 HG11 VAL A 59 -3.282 8.692 -9.255 1.00 1.14 H new ATOM 0 HG12 VAL A 59 -3.582 9.517 -7.706 1.00 1.14 H new ATOM 0 HG13 VAL A 59 -3.868 10.372 -9.240 1.00 1.14 H new ATOM 0 HG21 VAL A 59 -1.430 9.307 -10.671 1.00 1.17 H new ATOM 0 HG22 VAL A 59 -1.898 11.024 -10.688 1.00 1.17 H new ATOM 0 HG23 VAL A 59 -0.258 10.555 -10.184 1.00 1.17 H new ATOM 934 N ASP A 60 -3.350 12.006 -6.352 1.00 0.89 N ATOM 935 CA ASP A 60 -4.050 11.853 -5.090 1.00 0.87 C ATOM 936 C ASP A 60 -4.791 10.513 -5.121 1.00 0.98 C ATOM 937 O ASP A 60 -5.398 10.135 -6.119 1.00 1.03 O ATOM 938 CB ASP A 60 -5.012 13.028 -4.847 1.00 0.88 C ATOM 939 CG ASP A 60 -4.271 14.301 -4.423 1.00 1.30 C ATOM 940 OD1 ASP A 60 -4.252 14.592 -3.208 1.00 2.53 O ATOM 941 OD2 ASP A 60 -3.680 14.972 -5.301 1.00 2.09 O ATOM 0 H ASP A 60 -3.844 12.575 -7.039 1.00 0.89 H new ATOM 0 HA ASP A 60 -3.341 11.859 -4.262 1.00 0.87 H new ATOM 0 HB2 ASP A 60 -5.580 13.225 -5.756 1.00 0.88 H new ATOM 0 HB3 ASP A 60 -5.731 12.754 -4.075 1.00 0.88 H new ATOM 946 N ILE A 61 -4.686 9.765 -4.026 1.00 1.07 N ATOM 947 CA ILE A 61 -5.083 8.371 -3.869 1.00 1.10 C ATOM 948 C ILE A 61 -6.547 8.271 -3.416 1.00 1.15 C ATOM 949 O ILE A 61 -7.176 7.215 -3.510 1.00 1.14 O ATOM 950 CB ILE A 61 -4.107 7.784 -2.830 1.00 1.07 C ATOM 951 CG1 ILE A 61 -2.637 8.037 -3.193 1.00 1.09 C ATOM 952 CG2 ILE A 61 -4.289 6.301 -2.541 1.00 1.04 C ATOM 953 CD1 ILE A 61 -2.289 7.702 -4.637 1.00 1.13 C ATOM 0 H ILE A 61 -4.293 10.145 -3.165 1.00 1.07 H new ATOM 0 HA ILE A 61 -5.031 7.816 -4.806 1.00 1.10 H new ATOM 0 HB ILE A 61 -4.366 8.326 -1.920 1.00 1.07 H new ATOM 0 HG12 ILE A 61 -2.403 9.085 -3.007 1.00 1.09 H new ATOM 0 HG13 ILE A 61 -2.003 7.447 -2.531 1.00 1.09 H new ATOM 0 HG21 ILE A 61 -3.557 5.982 -1.799 1.00 1.04 H new ATOM 0 HG22 ILE A 61 -5.294 6.126 -2.158 1.00 1.04 H new ATOM 0 HG23 ILE A 61 -4.146 5.731 -3.459 1.00 1.04 H new ATOM 0 HD11 ILE A 61 -1.233 7.908 -4.814 1.00 1.13 H new ATOM 0 HD12 ILE A 61 -2.489 6.647 -4.824 1.00 1.13 H new ATOM 0 HD13 ILE A 61 -2.895 8.311 -5.308 1.00 1.13 H new ATOM 965 N GLU A 62 -7.075 9.381 -2.908 1.00 1.26 N ATOM 966 CA GLU A 62 -8.426 9.571 -2.414 1.00 1.32 C ATOM 967 C GLU A 62 -9.146 10.411 -3.467 1.00 1.88 C ATOM 968 O GLU A 62 -8.716 11.524 -3.755 1.00 2.45 O ATOM 969 CB GLU A 62 -8.293 10.303 -1.074 1.00 1.69 C ATOM 970 CG GLU A 62 -9.582 10.698 -0.355 1.00 1.91 C ATOM 971 CD GLU A 62 -9.212 11.479 0.909 1.00 2.96 C ATOM 972 OE1 GLU A 62 -9.105 10.845 1.980 1.00 3.92 O ATOM 973 OE2 GLU A 62 -8.956 12.700 0.790 1.00 3.85 O ATOM 0 H GLU A 62 -6.522 10.234 -2.827 1.00 1.26 H new ATOM 0 HA GLU A 62 -8.987 8.650 -2.254 1.00 1.32 H new ATOM 0 HB2 GLU A 62 -7.713 9.671 -0.402 1.00 1.69 H new ATOM 0 HB3 GLU A 62 -7.710 11.209 -1.242 1.00 1.69 H new ATOM 0 HG2 GLU A 62 -10.208 11.307 -1.007 1.00 1.91 H new ATOM 0 HG3 GLU A 62 -10.159 9.810 -0.097 1.00 1.91 H new ATOM 980 N ALA A 63 -10.204 9.878 -4.081 1.00 2.67 N ATOM 981 CA ALA A 63 -10.922 10.556 -5.149 1.00 3.61 C ATOM 982 C ALA A 63 -12.372 10.091 -5.092 1.00 4.35 C ATOM 983 O ALA A 63 -12.904 9.525 -6.043 1.00 5.44 O ATOM 984 CB ALA A 63 -10.268 10.234 -6.499 1.00 4.49 C ATOM 0 H ALA A 63 -10.584 8.961 -3.847 1.00 2.67 H new ATOM 0 HA ALA A 63 -10.887 11.639 -5.029 1.00 3.61 H new ATOM 0 HB1 ALA A 63 -10.809 10.744 -7.296 1.00 4.49 H new ATOM 0 HB2 ALA A 63 -9.231 10.571 -6.491 1.00 4.49 H new ATOM 0 HB3 ALA A 63 -10.298 9.158 -6.671 1.00 4.49 H new ATOM 990 N GLN A 64 -12.995 10.283 -3.931 1.00 4.21 N ATOM 991 CA GLN A 64 -14.353 9.851 -3.659 1.00 5.05 C ATOM 992 C GLN A 64 -14.946 10.844 -2.658 1.00 5.20 C ATOM 993 O GLN A 64 -14.191 11.585 -2.033 1.00 5.24 O ATOM 994 CB GLN A 64 -14.314 8.414 -3.116 1.00 5.73 C ATOM 995 CG GLN A 64 -15.704 7.780 -2.973 1.00 6.97 C ATOM 996 CD GLN A 64 -15.599 6.295 -2.641 1.00 7.99 C ATOM 997 OE1 GLN A 64 -15.803 5.441 -3.491 1.00 8.57 O ATOM 998 NE2 GLN A 64 -15.274 5.959 -1.399 1.00 8.64 N ATOM 0 H GLN A 64 -12.555 10.754 -3.140 1.00 4.21 H new ATOM 0 HA GLN A 64 -14.978 9.838 -4.552 1.00 5.05 H new ATOM 0 HB2 GLN A 64 -13.708 7.798 -3.781 1.00 5.73 H new ATOM 0 HB3 GLN A 64 -13.821 8.414 -2.144 1.00 5.73 H new ATOM 0 HG2 GLN A 64 -16.262 8.292 -2.189 1.00 6.97 H new ATOM 0 HG3 GLN A 64 -16.263 7.910 -3.899 1.00 6.97 H new ATOM 0 HE21 GLN A 64 -15.107 6.684 -0.702 1.00 8.64 H new ATOM 0 HE22 GLN A 64 -15.191 4.975 -1.142 1.00 8.64 H new ATOM 1007 N LEU A 65 -16.272 10.848 -2.492 1.00 6.08 N ATOM 1008 CA LEU A 65 -16.984 11.750 -1.587 1.00 6.73 C ATOM 1009 C LEU A 65 -16.598 13.216 -1.831 1.00 6.99 C ATOM 1010 O LEU A 65 -16.027 13.864 -0.957 1.00 6.88 O ATOM 1011 CB LEU A 65 -16.744 11.316 -0.130 1.00 6.95 C ATOM 1012 CG LEU A 65 -17.635 12.091 0.860 1.00 7.98 C ATOM 1013 CD1 LEU A 65 -18.707 11.164 1.439 1.00 8.95 C ATOM 1014 CD2 LEU A 65 -16.802 12.664 2.009 1.00 8.37 C ATOM 0 H LEU A 65 -16.891 10.211 -2.994 1.00 6.08 H new ATOM 0 HA LEU A 65 -18.053 11.683 -1.789 1.00 6.73 H new ATOM 0 HB2 LEU A 65 -16.939 10.248 -0.033 1.00 6.95 H new ATOM 0 HB3 LEU A 65 -15.696 11.473 0.127 1.00 6.95 H new ATOM 0 HG LEU A 65 -18.106 12.910 0.317 1.00 7.98 H new ATOM 0 HD11 LEU A 65 -19.331 11.721 2.137 1.00 8.95 H new ATOM 0 HD12 LEU A 65 -19.326 10.774 0.631 1.00 8.95 H new ATOM 0 HD13 LEU A 65 -18.228 10.336 1.962 1.00 8.95 H new ATOM 0 HD21 LEU A 65 -17.453 13.207 2.695 1.00 8.37 H new ATOM 0 HD22 LEU A 65 -16.310 11.851 2.543 1.00 8.37 H new ATOM 0 HD23 LEU A 65 -16.049 13.343 1.609 1.00 8.37 H new ATOM 1026 N PRO A 66 -16.937 13.773 -3.001 1.00 8.02 N ATOM 1027 CA PRO A 66 -16.696 15.176 -3.276 1.00 9.06 C ATOM 1028 C PRO A 66 -17.598 16.017 -2.372 1.00 9.57 C ATOM 1029 O PRO A 66 -18.806 16.093 -2.586 1.00 10.31 O ATOM 1030 CB PRO A 66 -17.010 15.357 -4.763 1.00 10.46 C ATOM 1031 CG PRO A 66 -18.040 14.263 -5.045 1.00 10.43 C ATOM 1032 CD PRO A 66 -17.611 13.128 -4.112 1.00 8.85 C ATOM 0 HA PRO A 66 -15.673 15.494 -3.073 1.00 9.06 H new ATOM 0 HB2 PRO A 66 -17.411 16.349 -4.971 1.00 10.46 H new ATOM 0 HB3 PRO A 66 -16.119 15.238 -5.379 1.00 10.46 H new ATOM 0 HG2 PRO A 66 -19.054 14.600 -4.829 1.00 10.43 H new ATOM 0 HG3 PRO A 66 -18.022 13.953 -6.090 1.00 10.43 H new ATOM 0 HD2 PRO A 66 -18.473 12.555 -3.769 1.00 8.85 H new ATOM 0 HD3 PRO A 66 -16.947 12.430 -4.622 1.00 8.85 H new ATOM 1040 N SER A 67 -17.005 16.643 -1.358 1.00 9.51 N ATOM 1041 CA SER A 67 -17.679 17.524 -0.423 1.00 10.25 C ATOM 1042 C SER A 67 -16.687 18.620 -0.036 1.00 10.57 C ATOM 1043 O SER A 67 -15.554 18.627 -0.520 1.00 10.77 O ATOM 1044 CB SER A 67 -18.148 16.712 0.790 1.00 10.06 C ATOM 1045 OG SER A 67 -18.972 17.490 1.633 1.00 10.72 O ATOM 0 H SER A 67 -16.009 16.544 -1.163 1.00 9.51 H new ATOM 0 HA SER A 67 -18.565 17.984 -0.861 1.00 10.25 H new ATOM 0 HB2 SER A 67 -18.695 15.831 0.453 1.00 10.06 H new ATOM 0 HB3 SER A 67 -17.283 16.355 1.349 1.00 10.06 H new ATOM 0 HG SER A 67 -18.510 17.655 2.481 1.00 10.72 H new ATOM 1051 N GLU A 68 -17.098 19.534 0.839 1.00 11.00 N ATOM 1052 CA GLU A 68 -16.234 20.564 1.388 1.00 11.54 C ATOM 1053 C GLU A 68 -16.323 20.390 2.902 1.00 11.41 C ATOM 1054 O GLU A 68 -17.278 20.848 3.529 1.00 12.17 O ATOM 1055 CB GLU A 68 -16.674 21.947 0.874 1.00 12.82 C ATOM 1056 CG GLU A 68 -15.492 22.906 0.683 1.00 13.60 C ATOM 1057 CD GLU A 68 -14.674 23.108 1.959 1.00 13.66 C ATOM 1058 OE1 GLU A 68 -13.957 22.148 2.324 1.00 13.28 O ATOM 1059 OE2 GLU A 68 -14.755 24.216 2.532 1.00 14.39 O ATOM 0 H GLU A 68 -18.055 19.577 1.189 1.00 11.00 H new ATOM 0 HA GLU A 68 -15.192 20.481 1.078 1.00 11.54 H new ATOM 0 HB2 GLU A 68 -17.199 21.829 -0.074 1.00 12.82 H new ATOM 0 HB3 GLU A 68 -17.382 22.384 1.578 1.00 12.82 H new ATOM 0 HG2 GLU A 68 -14.841 22.520 -0.102 1.00 13.60 H new ATOM 0 HG3 GLU A 68 -15.866 23.871 0.341 1.00 13.60 H new ATOM 1066 N SER A 69 -15.373 19.633 3.458 1.00 10.71 N ATOM 1067 CA SER A 69 -15.498 19.006 4.768 1.00 10.62 C ATOM 1068 C SER A 69 -16.795 18.194 4.857 1.00 10.83 C ATOM 1069 O SER A 69 -17.213 17.644 3.810 1.00 11.09 O ATOM 1070 CB SER A 69 -15.359 20.081 5.853 1.00 11.36 C ATOM 1071 OG SER A 69 -15.266 19.480 7.128 1.00 11.24 O ATOM 1072 OXT SER A 69 -17.307 18.076 5.993 1.00 11.13 O ATOM 0 H SER A 69 -14.483 19.438 3.000 1.00 10.71 H new ATOM 0 HA SER A 69 -14.696 18.286 4.928 1.00 10.62 H new ATOM 0 HB2 SER A 69 -14.473 20.687 5.663 1.00 11.36 H new ATOM 0 HB3 SER A 69 -16.217 20.753 5.821 1.00 11.36 H new ATOM 0 HG SER A 69 -15.940 18.773 7.206 1.00 11.24 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.405 -5.226 6.616 1.00 1.20 ZN HETATM 1080 ZN ZN A 102 1.264 5.349 -6.459 1.00 0.94 ZN