USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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 25 GLN : amide:sc= 0 X(o=-0.75,f=-0.91) USER MOD Set 1.2: A 29 MET CE :methyl -170:sc= -0.747 (180deg=-0.909) USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 0.737 (180deg=0.00571) USER MOD Single : A 11 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.4) USER MOD Single : A 13 THR OG1 : rot -52:sc= 0.724 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -90:sc= 1.29 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.19! C(o=-1.2!,f=-7.1!) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 2.5 (180deg=2.34) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 130:sc= -0.0769 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0712 USER MOD Single : A 67 SER OG : rot 180:sc= -1.43 USER MOD Single : A 72 THR OG1 : rot 66:sc= 0.526 USER MOD Single : A 78 HIS : no HD1:sc= -0.0795 X(o=-0.079,f=-0.1) USER MOD Single : A 79 THR OG1 : rot 44:sc= 0.0293 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -79:sc= -0.71 USER MOD ----------------------------------------------------------------- ATOM 45 N PHE A 3 9.669 0.851 -5.678 1.00 0.94 N ATOM 46 CA PHE A 3 9.879 1.537 -4.405 1.00 0.64 C ATOM 47 C PHE A 3 10.427 0.611 -3.313 1.00 0.52 C ATOM 48 O PHE A 3 10.013 0.695 -2.155 1.00 0.46 O ATOM 49 CB PHE A 3 8.557 2.169 -3.944 1.00 1.16 C ATOM 50 CG PHE A 3 7.369 1.233 -3.971 1.00 0.79 C ATOM 51 CD1 PHE A 3 7.520 -0.099 -3.627 1.00 0.86 C ATOM 52 CD2 PHE A 3 6.110 1.680 -4.353 1.00 0.87 C ATOM 53 CE1 PHE A 3 6.443 -0.963 -3.664 1.00 0.71 C ATOM 54 CE2 PHE A 3 5.036 0.824 -4.390 1.00 1.16 C ATOM 55 CZ PHE A 3 5.174 -0.470 -3.994 1.00 0.99 C ATOM 0 HA PHE A 3 10.632 2.308 -4.569 1.00 0.64 H new ATOM 0 HB2 PHE A 3 8.684 2.545 -2.929 1.00 1.16 H new ATOM 0 HB3 PHE A 3 8.340 3.029 -4.578 1.00 1.16 H new ATOM 0 HD1 PHE A 3 8.490 -0.467 -3.327 1.00 0.86 H new ATOM 0 HD2 PHE A 3 5.974 2.716 -4.625 1.00 0.87 H new ATOM 0 HE1 PHE A 3 6.578 -2.011 -3.440 1.00 0.71 H new ATOM 0 HE2 PHE A 3 4.077 1.180 -4.735 1.00 1.16 H new ATOM 0 HZ PHE A 3 4.309 -1.114 -3.934 1.00 0.99 H new ATOM 63 N ALA A 4 11.372 -0.237 -3.673 1.00 0.56 N ATOM 64 CA ALA A 4 11.967 -1.160 -2.720 1.00 0.55 C ATOM 65 C ALA A 4 12.686 -0.402 -1.611 1.00 0.57 C ATOM 66 O ALA A 4 12.433 -0.618 -0.416 1.00 0.54 O ATOM 67 CB ALA A 4 12.927 -2.097 -3.434 1.00 0.64 C ATOM 0 H ALA A 4 11.746 -0.307 -4.619 1.00 0.56 H new ATOM 0 HA ALA A 4 11.172 -1.751 -2.265 1.00 0.55 H new ATOM 0 HB1 ALA A 4 13.368 -2.785 -2.713 1.00 0.64 H new ATOM 0 HB2 ALA A 4 12.386 -2.664 -4.192 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.716 -1.515 -3.910 1.00 0.64 H new ATOM 73 N PHE A 5 13.516 0.546 -2.026 1.00 0.62 N ATOM 74 CA PHE A 5 14.240 1.404 -1.106 1.00 0.66 C ATOM 75 C PHE A 5 13.261 2.252 -0.302 1.00 0.59 C ATOM 76 O PHE A 5 13.402 2.409 0.910 1.00 0.57 O ATOM 77 CB PHE A 5 15.210 2.292 -1.900 1.00 0.79 C ATOM 78 CG PHE A 5 16.198 3.057 -1.066 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.725 2.516 0.094 1.00 1.04 C ATOM 80 CD2 PHE A 5 16.617 4.315 -1.463 1.00 1.20 C ATOM 81 CE1 PHE A 5 17.651 3.218 0.842 1.00 1.46 C ATOM 82 CE2 PHE A 5 17.538 5.022 -0.719 1.00 1.56 C ATOM 83 CZ PHE A 5 18.059 4.474 0.436 1.00 1.65 C ATOM 0 H PHE A 5 13.704 0.739 -3.010 1.00 0.62 H new ATOM 0 HA PHE A 5 14.812 0.794 -0.406 1.00 0.66 H new ATOM 0 HB2 PHE A 5 15.759 1.666 -2.603 1.00 0.79 H new ATOM 0 HB3 PHE A 5 14.629 3.001 -2.490 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.409 1.535 0.418 1.00 1.04 H new ATOM 0 HD2 PHE A 5 16.217 4.749 -2.368 1.00 1.20 H new ATOM 0 HE1 PHE A 5 18.056 2.785 1.744 1.00 1.46 H new ATOM 0 HE2 PHE A 5 17.852 6.004 -1.040 1.00 1.56 H new ATOM 0 HZ PHE A 5 18.782 5.025 1.019 1.00 1.65 H new ATOM 91 N GLU A 6 12.241 2.754 -0.984 1.00 0.57 N ATOM 92 CA GLU A 6 11.233 3.593 -0.354 1.00 0.53 C ATOM 93 C GLU A 6 10.513 2.853 0.769 1.00 0.49 C ATOM 94 O GLU A 6 10.418 3.363 1.884 1.00 0.49 O ATOM 95 CB GLU A 6 10.219 4.081 -1.390 1.00 0.57 C ATOM 96 CG GLU A 6 10.855 4.667 -2.641 1.00 0.70 C ATOM 97 CD GLU A 6 11.712 5.889 -2.370 1.00 1.42 C ATOM 98 OE1 GLU A 6 11.797 6.332 -1.204 1.00 1.97 O ATOM 99 OE2 GLU A 6 12.298 6.422 -3.335 1.00 2.09 O ATOM 0 H GLU A 6 12.090 2.593 -1.980 1.00 0.57 H new ATOM 0 HA GLU A 6 11.745 4.453 0.079 1.00 0.53 H new ATOM 0 HB2 GLU A 6 9.576 3.248 -1.676 1.00 0.57 H new ATOM 0 HB3 GLU A 6 9.579 4.835 -0.932 1.00 0.57 H new ATOM 0 HG2 GLU A 6 11.467 3.903 -3.119 1.00 0.70 H new ATOM 0 HG3 GLU A 6 10.069 4.934 -3.347 1.00 0.70 H new ATOM 102 N LEU A 7 10.006 1.653 0.481 1.00 0.49 N ATOM 103 CA LEU A 7 9.287 0.889 1.490 1.00 0.51 C ATOM 104 C LEU A 7 10.190 0.492 2.652 1.00 0.53 C ATOM 105 O LEU A 7 9.762 0.532 3.804 1.00 0.56 O ATOM 106 CB LEU A 7 8.620 -0.356 0.895 1.00 0.56 C ATOM 107 CG LEU A 7 7.279 -0.106 0.195 1.00 0.79 C ATOM 108 CD1 LEU A 7 6.579 -1.424 -0.105 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.383 0.785 1.048 1.00 1.45 C ATOM 0 H LEU A 7 10.080 1.199 -0.429 1.00 0.49 H new ATOM 0 HA LEU A 7 8.506 1.546 1.873 1.00 0.51 H new ATOM 0 HB2 LEU A 7 9.306 -0.810 0.180 1.00 0.56 H new ATOM 0 HB3 LEU A 7 8.465 -1.082 1.693 1.00 0.56 H new ATOM 0 HG LEU A 7 7.478 0.405 -0.747 1.00 0.79 H new ATOM 0 HD11 LEU A 7 5.629 -1.227 -0.602 1.00 1.43 H new ATOM 0 HD12 LEU A 7 7.209 -2.031 -0.755 1.00 1.43 H new ATOM 0 HD13 LEU A 7 6.397 -1.960 0.827 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.437 0.950 0.532 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.195 0.301 2.006 1.00 1.45 H new ATOM 0 HD23 LEU A 7 6.876 1.743 1.216 1.00 1.45 H new ATOM 119 N ARG A 8 11.422 0.079 2.361 1.00 0.56 N ATOM 120 CA ARG A 8 12.315 -0.371 3.427 1.00 0.62 C ATOM 121 C ARG A 8 12.664 0.779 4.370 1.00 0.60 C ATOM 122 O ARG A 8 12.717 0.593 5.588 1.00 0.63 O ATOM 123 CB ARG A 8 13.584 -1.033 2.871 1.00 0.70 C ATOM 124 CG ARG A 8 14.611 -0.079 2.287 1.00 1.30 C ATOM 125 CD ARG A 8 15.855 -0.827 1.837 1.00 1.61 C ATOM 126 NE ARG A 8 15.569 -1.746 0.737 1.00 1.92 N ATOM 127 CZ ARG A 8 16.029 -1.583 -0.501 1.00 2.84 C ATOM 128 NH1 ARG A 8 16.933 -0.647 -0.763 1.00 3.51 N ATOM 129 NH2 ARG A 8 15.621 -2.386 -1.472 1.00 3.56 N ATOM 0 H ARG A 8 11.818 0.046 1.421 1.00 0.56 H new ATOM 0 HA ARG A 8 11.780 -1.130 3.998 1.00 0.62 H new ATOM 0 HB2 ARG A 8 14.056 -1.604 3.670 1.00 0.70 H new ATOM 0 HB3 ARG A 8 13.294 -1.745 2.099 1.00 0.70 H new ATOM 0 HG2 ARG A 8 14.177 0.455 1.441 1.00 1.30 H new ATOM 0 HG3 ARG A 8 14.882 0.670 3.031 1.00 1.30 H new ATOM 0 HD2 ARG A 8 16.616 -0.112 1.524 1.00 1.61 H new ATOM 0 HD3 ARG A 8 16.268 -1.384 2.678 1.00 1.61 H new ATOM 0 HE ARG A 8 14.983 -2.559 0.929 1.00 1.92 H new ATOM 0 HH11 ARG A 8 17.279 -0.048 -0.013 1.00 3.51 H new ATOM 0 HH12 ARG A 8 17.282 -0.527 -1.714 1.00 3.51 H new ATOM 0 HH21 ARG A 8 14.953 -3.131 -1.271 1.00 3.56 H new ATOM 0 HH22 ARG A 8 15.974 -2.260 -2.420 1.00 3.56 H new ATOM 137 N LYS A 9 12.839 1.978 3.817 1.00 0.56 N ATOM 138 CA LYS A 9 13.116 3.157 4.633 1.00 0.56 C ATOM 139 C LYS A 9 11.884 3.554 5.439 1.00 0.50 C ATOM 140 O LYS A 9 11.970 3.796 6.645 1.00 0.50 O ATOM 141 CB LYS A 9 13.564 4.334 3.764 1.00 0.60 C ATOM 142 CG LYS A 9 14.831 4.066 2.976 1.00 1.06 C ATOM 143 CD LYS A 9 15.216 5.256 2.111 1.00 1.67 C ATOM 144 CE LYS A 9 16.204 6.173 2.813 1.00 2.14 C ATOM 145 NZ LYS A 9 15.599 6.887 3.962 1.00 2.75 N ATOM 0 H LYS A 9 12.794 2.157 2.814 1.00 0.56 H new ATOM 0 HA LYS A 9 13.924 2.902 5.319 1.00 0.56 H new ATOM 0 HB2 LYS A 9 12.762 4.587 3.070 1.00 0.60 H new ATOM 0 HB3 LYS A 9 13.721 5.205 4.401 1.00 0.60 H new ATOM 0 HG2 LYS A 9 15.645 3.837 3.663 1.00 1.06 H new ATOM 0 HG3 LYS A 9 14.689 3.188 2.346 1.00 1.06 H new ATOM 0 HD2 LYS A 9 15.652 4.900 1.178 1.00 1.67 H new ATOM 0 HD3 LYS A 9 14.320 5.820 1.850 1.00 1.67 H new ATOM 0 HE2 LYS A 9 17.055 5.587 3.161 1.00 2.14 H new ATOM 0 HE3 LYS A 9 16.589 6.901 2.099 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 16.163 7.733 4.181 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 14.628 7.171 3.722 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 15.581 6.259 4.791 1.00 2.75 H new ATOM 151 N ALA A 10 10.735 3.585 4.769 1.00 0.47 N ATOM 152 CA ALA A 10 9.470 3.936 5.409 1.00 0.44 C ATOM 153 C ALA A 10 9.145 2.979 6.550 1.00 0.45 C ATOM 154 O ALA A 10 8.638 3.386 7.588 1.00 0.47 O ATOM 155 CB ALA A 10 8.345 3.932 4.387 1.00 0.44 C ATOM 0 H ALA A 10 10.654 3.369 3.775 1.00 0.47 H new ATOM 0 HA ALA A 10 9.570 4.938 5.826 1.00 0.44 H new ATOM 0 HB1 ALA A 10 7.408 4.195 4.877 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.562 4.659 3.604 1.00 0.44 H new ATOM 0 HB3 ALA A 10 8.258 2.939 3.946 1.00 0.44 H new ATOM 161 N GLN A 11 9.418 1.701 6.336 1.00 0.47 N ATOM 162 CA GLN A 11 9.162 0.685 7.346 1.00 0.53 C ATOM 163 C GLN A 11 10.078 0.890 8.550 1.00 0.58 C ATOM 164 O GLN A 11 9.669 0.700 9.697 1.00 0.63 O ATOM 165 CB GLN A 11 9.358 -0.714 6.737 1.00 0.59 C ATOM 166 CG GLN A 11 9.108 -1.871 7.697 1.00 1.07 C ATOM 167 CD GLN A 11 10.364 -2.315 8.428 1.00 1.69 C ATOM 168 OE1 GLN A 11 11.358 -2.692 7.807 1.00 2.18 O ATOM 169 NE2 GLN A 11 10.326 -2.283 9.749 1.00 2.44 N ATOM 0 H GLN A 11 9.818 1.342 5.469 1.00 0.47 H new ATOM 0 HA GLN A 11 8.131 0.773 7.690 1.00 0.53 H new ATOM 0 HB2 GLN A 11 8.690 -0.819 5.882 1.00 0.59 H new ATOM 0 HB3 GLN A 11 10.377 -0.790 6.357 1.00 0.59 H new ATOM 0 HG2 GLN A 11 8.355 -1.575 8.427 1.00 1.07 H new ATOM 0 HG3 GLN A 11 8.699 -2.715 7.142 1.00 1.07 H new ATOM 0 HE21 GLN A 11 9.483 -1.964 10.227 1.00 2.44 H new ATOM 0 HE22 GLN A 11 11.139 -2.577 10.290 1.00 2.44 H new ATOM 174 N ASP A 12 11.326 1.249 8.275 1.00 0.61 N ATOM 175 CA ASP A 12 12.333 1.418 9.320 1.00 0.73 C ATOM 176 C ASP A 12 12.012 2.609 10.222 1.00 0.68 C ATOM 177 O ASP A 12 12.057 2.497 11.446 1.00 0.73 O ATOM 178 CB ASP A 12 13.717 1.604 8.688 1.00 0.92 C ATOM 179 CG ASP A 12 14.859 1.390 9.668 1.00 0.95 C ATOM 180 OD1 ASP A 12 14.859 2.040 10.736 1.00 1.43 O ATOM 181 OD2 ASP A 12 15.747 0.558 9.398 1.00 1.32 O ATOM 0 H ASP A 12 11.668 1.430 7.331 1.00 0.61 H new ATOM 0 HA ASP A 12 12.329 0.518 9.936 1.00 0.73 H new ATOM 0 HB2 ASP A 12 13.826 0.908 7.857 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.787 2.609 8.273 1.00 0.92 H new ATOM 184 N THR A 13 11.734 3.758 9.620 1.00 0.64 N ATOM 185 CA THR A 13 11.520 4.978 10.392 1.00 0.68 C ATOM 186 C THR A 13 10.155 5.607 10.082 1.00 0.58 C ATOM 187 O THR A 13 10.002 6.827 10.007 1.00 0.95 O ATOM 188 CB THR A 13 12.673 5.982 10.139 1.00 0.96 C ATOM 189 OG1 THR A 13 12.507 7.175 10.924 1.00 1.96 O ATOM 190 CG2 THR A 13 12.768 6.345 8.667 1.00 1.02 C ATOM 0 H THR A 13 11.652 3.872 8.610 1.00 0.64 H new ATOM 0 HA THR A 13 11.519 4.716 11.450 1.00 0.68 H new ATOM 0 HB THR A 13 13.599 5.493 10.441 1.00 0.96 H new ATOM 0 HG1 THR A 13 11.610 7.542 10.776 1.00 1.96 H new ATOM 0 HG21 THR A 13 13.585 7.051 8.518 1.00 1.02 H new ATOM 0 HG22 THR A 13 12.955 5.445 8.082 1.00 1.02 H new ATOM 0 HG23 THR A 13 11.832 6.800 8.343 1.00 1.02 H new ATOM 198 N GLY A 14 9.147 4.759 9.985 1.00 0.59 N ATOM 199 CA GLY A 14 7.790 5.218 9.759 1.00 0.55 C ATOM 200 C GLY A 14 6.788 4.202 10.253 1.00 0.50 C ATOM 201 O GLY A 14 6.982 3.619 11.322 1.00 0.64 O ATOM 0 H GLY A 14 9.244 3.746 10.060 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.633 6.168 10.270 1.00 0.55 H new ATOM 0 HA3 GLY A 14 7.636 5.399 8.695 1.00 0.55 H new ATOM 205 N LYS A 15 5.771 3.911 9.449 1.00 0.47 N ATOM 206 CA LYS A 15 4.785 2.897 9.808 1.00 0.55 C ATOM 207 C LYS A 15 3.929 2.508 8.607 1.00 0.41 C ATOM 208 O LYS A 15 3.249 3.350 8.012 1.00 0.42 O ATOM 209 CB LYS A 15 3.887 3.401 10.944 1.00 0.85 C ATOM 210 CG LYS A 15 2.889 2.365 11.443 1.00 1.63 C ATOM 211 CD LYS A 15 2.071 2.889 12.614 1.00 2.21 C ATOM 212 CE LYS A 15 1.218 4.085 12.218 1.00 2.74 C ATOM 213 NZ LYS A 15 0.475 4.645 13.378 1.00 3.52 N ATOM 0 H LYS A 15 5.608 4.360 8.548 1.00 0.47 H new ATOM 0 HA LYS A 15 5.327 2.013 10.144 1.00 0.55 H new ATOM 0 HB2 LYS A 15 4.514 3.719 11.777 1.00 0.85 H new ATOM 0 HB3 LYS A 15 3.343 4.281 10.601 1.00 0.85 H new ATOM 0 HG2 LYS A 15 2.220 2.083 10.630 1.00 1.63 H new ATOM 0 HG3 LYS A 15 3.421 1.463 11.746 1.00 1.63 H new ATOM 0 HD2 LYS A 15 1.429 2.094 12.993 1.00 2.21 H new ATOM 0 HD3 LYS A 15 2.740 3.173 13.426 1.00 2.21 H new ATOM 0 HE2 LYS A 15 1.854 4.858 11.787 1.00 2.74 H new ATOM 0 HE3 LYS A 15 0.511 3.786 11.444 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 -0.094 5.458 13.066 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 -0.152 3.915 13.774 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 1.150 4.954 14.106 1.00 3.52 H new ATOM 219 N ILE A 16 3.917 1.218 8.303 1.00 0.40 N ATOM 220 CA ILE A 16 3.088 0.680 7.232 1.00 0.37 C ATOM 221 C ILE A 16 2.278 -0.499 7.758 1.00 0.38 C ATOM 222 O ILE A 16 2.836 -1.460 8.291 1.00 0.48 O ATOM 223 CB ILE A 16 3.929 0.217 6.011 1.00 0.51 C ATOM 224 CG1 ILE A 16 4.544 1.409 5.273 1.00 0.59 C ATOM 225 CG2 ILE A 16 3.088 -0.603 5.046 1.00 0.63 C ATOM 226 CD1 ILE A 16 5.817 1.925 5.895 1.00 0.99 C ATOM 0 H ILE A 16 4.478 0.518 8.788 1.00 0.40 H new ATOM 0 HA ILE A 16 2.428 1.481 6.897 1.00 0.37 H new ATOM 0 HB ILE A 16 4.735 -0.408 6.396 1.00 0.51 H new ATOM 0 HG12 ILE A 16 4.747 1.119 4.242 1.00 0.59 H new ATOM 0 HG13 ILE A 16 3.814 2.218 5.239 1.00 0.59 H new ATOM 0 HG21 ILE A 16 3.703 -0.914 4.201 1.00 0.63 H new ATOM 0 HG22 ILE A 16 2.703 -1.485 5.558 1.00 0.63 H new ATOM 0 HG23 ILE A 16 2.255 0.001 4.686 1.00 0.63 H new ATOM 0 HD11 ILE A 16 6.190 2.769 5.314 1.00 0.99 H new ATOM 0 HD12 ILE A 16 5.618 2.248 6.917 1.00 0.99 H new ATOM 0 HD13 ILE A 16 6.565 1.132 5.904 1.00 0.99 H new ATOM 236 N VAL A 17 0.968 -0.417 7.619 1.00 0.36 N ATOM 237 CA VAL A 17 0.090 -1.477 8.082 1.00 0.37 C ATOM 238 C VAL A 17 -0.206 -2.457 6.954 1.00 0.37 C ATOM 239 O VAL A 17 -0.961 -2.152 6.031 1.00 0.59 O ATOM 240 CB VAL A 17 -1.233 -0.906 8.634 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.117 -2.015 9.181 1.00 0.83 C ATOM 242 CG2 VAL A 17 -0.952 0.132 9.706 1.00 1.04 C ATOM 0 H VAL A 17 0.487 0.373 7.189 1.00 0.36 H new ATOM 0 HA VAL A 17 0.604 -2.001 8.888 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.766 -0.425 7.814 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -3.043 -1.587 9.564 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.347 -2.723 8.385 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -1.596 -2.532 9.987 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -1.894 0.526 10.086 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -0.396 -0.329 10.522 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.364 0.945 9.280 1.00 1.04 H new ATOM 252 N MET A 18 0.399 -3.631 7.029 1.00 0.32 N ATOM 253 CA MET A 18 0.191 -4.662 6.022 1.00 0.42 C ATOM 254 C MET A 18 -1.035 -5.502 6.361 1.00 0.63 C ATOM 255 O MET A 18 -1.298 -5.783 7.531 1.00 0.87 O ATOM 256 CB MET A 18 1.446 -5.539 5.869 1.00 0.74 C ATOM 257 CG MET A 18 2.060 -6.021 7.179 1.00 1.20 C ATOM 258 SD MET A 18 1.187 -7.421 7.910 1.00 1.77 S ATOM 259 CE MET A 18 2.174 -7.694 9.376 1.00 2.03 C ATOM 0 H MET A 18 1.039 -3.895 7.778 1.00 0.32 H new ATOM 0 HA MET A 18 0.010 -4.176 5.063 1.00 0.42 H new ATOM 0 HB2 MET A 18 1.191 -6.409 5.263 1.00 0.74 H new ATOM 0 HB3 MET A 18 2.199 -4.976 5.318 1.00 0.74 H new ATOM 0 HG2 MET A 18 3.098 -6.302 7.003 1.00 1.20 H new ATOM 0 HG3 MET A 18 2.070 -5.196 7.892 1.00 1.20 H new ATOM 0 HE1 MET A 18 1.763 -8.531 9.940 1.00 2.03 H new ATOM 0 HE2 MET A 18 3.200 -7.920 9.087 1.00 2.03 H new ATOM 0 HE3 MET A 18 2.161 -6.797 9.996 1.00 2.03 H new ATOM 265 N GLY A 19 -1.840 -5.799 5.352 1.00 0.70 N ATOM 266 CA GLY A 19 -3.063 -6.540 5.576 1.00 1.09 C ATOM 267 C GLY A 19 -4.170 -6.112 4.637 1.00 0.88 C ATOM 268 O GLY A 19 -4.387 -4.916 4.438 1.00 1.71 O ATOM 0 H GLY A 19 -1.668 -5.540 4.381 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -2.870 -7.605 5.446 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -3.388 -6.399 6.607 1.00 1.09 H new ATOM 272 N ALA A 20 -4.860 -7.081 4.052 1.00 0.76 N ATOM 273 CA ALA A 20 -5.938 -6.792 3.110 1.00 0.53 C ATOM 274 C ALA A 20 -7.127 -6.144 3.811 1.00 0.48 C ATOM 275 O ALA A 20 -7.614 -5.100 3.388 1.00 0.49 O ATOM 276 CB ALA A 20 -6.370 -8.063 2.398 1.00 0.67 C ATOM 0 H ALA A 20 -4.694 -8.075 4.211 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.560 -6.085 2.372 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -7.174 -7.833 1.699 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -5.523 -8.480 1.853 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.723 -8.789 3.131 1.00 0.67 H new ATOM 282 N ARG A 21 -7.573 -6.748 4.904 1.00 0.50 N ATOM 283 CA ARG A 21 -8.685 -6.203 5.672 1.00 0.54 C ATOM 284 C ARG A 21 -8.265 -4.933 6.404 1.00 0.49 C ATOM 285 O ARG A 21 -9.056 -4.003 6.570 1.00 0.54 O ATOM 286 CB ARG A 21 -9.213 -7.235 6.669 1.00 0.66 C ATOM 287 CG ARG A 21 -9.809 -8.471 6.015 1.00 1.48 C ATOM 288 CD ARG A 21 -10.540 -9.342 7.026 1.00 1.94 C ATOM 289 NE ARG A 21 -9.648 -9.897 8.046 1.00 2.79 N ATOM 290 CZ ARG A 21 -8.769 -10.876 7.827 1.00 3.74 C ATOM 291 NH1 ARG A 21 -8.700 -11.466 6.638 1.00 4.12 N ATOM 292 NH2 ARG A 21 -7.980 -11.287 8.811 1.00 4.68 N ATOM 0 H ARG A 21 -7.183 -7.613 5.278 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.484 -5.954 4.974 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -8.399 -7.540 7.327 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -9.971 -6.766 7.296 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -10.499 -8.169 5.227 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -9.017 -9.050 5.540 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -11.318 -8.753 7.512 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -11.038 -10.158 6.503 1.00 1.94 H new ATOM 0 HE ARG A 21 -9.703 -9.509 8.988 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -9.322 -11.171 5.885 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -8.025 -12.214 6.478 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -8.046 -10.855 9.732 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -7.307 -12.036 8.646 1.00 4.68 H new ATOM 300 N LYS A 22 -7.016 -4.909 6.853 1.00 0.46 N ATOM 301 CA LYS A 22 -6.490 -3.774 7.598 1.00 0.49 C ATOM 302 C LYS A 22 -6.451 -2.510 6.744 1.00 0.47 C ATOM 303 O LYS A 22 -6.755 -1.419 7.224 1.00 0.49 O ATOM 304 CB LYS A 22 -5.101 -4.090 8.147 1.00 0.50 C ATOM 305 CG LYS A 22 -5.097 -5.226 9.156 1.00 0.80 C ATOM 306 CD LYS A 22 -3.770 -5.321 9.887 1.00 1.14 C ATOM 307 CE LYS A 22 -3.791 -6.423 10.932 1.00 1.61 C ATOM 308 NZ LYS A 22 -2.566 -6.417 11.772 1.00 1.91 N ATOM 0 H LYS A 22 -6.347 -5.666 6.713 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.164 -3.588 8.434 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.440 -4.347 7.319 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.691 -3.195 8.616 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -5.900 -5.075 9.877 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -5.300 -6.167 8.645 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -2.971 -5.512 9.171 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -3.548 -4.367 10.366 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -4.668 -6.302 11.569 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -3.887 -7.390 10.438 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -2.621 -7.184 12.472 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -1.731 -6.558 11.169 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -2.487 -5.504 12.265 1.00 1.91 H new ATOM 314 N SER A 23 -6.134 -2.657 5.467 1.00 0.46 N ATOM 315 CA SER A 23 -6.144 -1.517 4.566 1.00 0.48 C ATOM 316 C SER A 23 -7.579 -1.052 4.303 1.00 0.48 C ATOM 317 O SER A 23 -7.836 0.146 4.188 1.00 0.50 O ATOM 318 CB SER A 23 -5.413 -1.855 3.265 1.00 0.52 C ATOM 319 OG SER A 23 -5.677 -3.184 2.862 1.00 1.14 O ATOM 0 H SER A 23 -5.870 -3.543 5.036 1.00 0.46 H new ATOM 0 HA SER A 23 -5.612 -0.692 5.039 1.00 0.48 H new ATOM 0 HB2 SER A 23 -5.724 -1.165 2.480 1.00 0.52 H new ATOM 0 HB3 SER A 23 -4.340 -1.720 3.402 1.00 0.52 H new ATOM 0 HG SER A 23 -5.007 -3.783 3.252 1.00 1.14 H new ATOM 323 N ILE A 24 -8.521 -1.996 4.300 1.00 0.49 N ATOM 324 CA ILE A 24 -9.937 -1.672 4.120 1.00 0.52 C ATOM 325 C ILE A 24 -10.456 -0.806 5.272 1.00 0.49 C ATOM 326 O ILE A 24 -11.089 0.230 5.049 1.00 0.52 O ATOM 327 CB ILE A 24 -10.804 -2.950 4.023 1.00 0.57 C ATOM 328 CG1 ILE A 24 -10.385 -3.791 2.815 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.283 -2.594 3.932 1.00 0.60 C ATOM 330 CD1 ILE A 24 -11.130 -5.103 2.693 1.00 0.66 C ATOM 0 H ILE A 24 -8.329 -2.991 4.420 1.00 0.49 H new ATOM 0 HA ILE A 24 -10.016 -1.117 3.185 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.647 -3.537 4.928 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.543 -3.209 1.907 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -9.316 -3.996 2.880 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.874 -3.508 3.865 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.578 -2.036 4.820 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.456 -1.984 3.046 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.777 -5.641 1.813 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -10.952 -5.706 3.583 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -12.198 -4.907 2.595 1.00 0.66 H new ATOM 340 N GLN A 25 -10.158 -1.213 6.504 1.00 0.47 N ATOM 341 CA GLN A 25 -10.603 -0.459 7.674 1.00 0.49 C ATOM 342 C GLN A 25 -9.904 0.895 7.745 1.00 0.44 C ATOM 343 O GLN A 25 -10.539 1.908 8.035 1.00 0.47 O ATOM 344 CB GLN A 25 -10.391 -1.240 8.978 1.00 0.54 C ATOM 345 CG GLN A 25 -8.967 -1.712 9.201 1.00 0.81 C ATOM 346 CD GLN A 25 -8.668 -2.004 10.656 1.00 1.35 C ATOM 347 OE1 GLN A 25 -8.633 -1.095 11.487 1.00 2.19 O ATOM 348 NE2 GLN A 25 -8.458 -3.268 10.980 1.00 1.75 N ATOM 0 H GLN A 25 -9.617 -2.051 6.717 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.675 -0.296 7.560 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -10.688 -0.610 9.817 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -11.053 -2.106 8.980 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -8.790 -2.611 8.611 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -8.276 -0.951 8.838 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -8.496 -3.992 10.262 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -8.258 -3.520 11.948 1.00 1.75 H new ATOM 353 N TYR A 26 -8.614 0.924 7.420 1.00 0.41 N ATOM 354 CA TYR A 26 -7.863 2.175 7.402 1.00 0.42 C ATOM 355 C TYR A 26 -8.404 3.123 6.338 1.00 0.42 C ATOM 356 O TYR A 26 -8.494 4.329 6.563 1.00 0.46 O ATOM 357 CB TYR A 26 -6.375 1.916 7.177 1.00 0.43 C ATOM 358 CG TYR A 26 -5.602 1.675 8.456 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.984 0.685 9.356 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.497 2.453 8.773 1.00 0.56 C ATOM 361 CE1 TYR A 26 -5.287 0.479 10.532 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.794 2.252 9.943 1.00 0.62 C ATOM 363 CZ TYR A 26 -4.193 1.266 10.819 1.00 0.57 C ATOM 364 OH TYR A 26 -3.493 1.070 11.990 1.00 0.66 O ATOM 0 H TYR A 26 -8.070 0.099 7.167 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.986 2.649 8.376 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -6.260 1.051 6.524 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.941 2.769 6.655 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.840 0.066 9.132 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -4.182 3.229 8.092 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.598 -0.293 11.221 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -2.935 2.865 10.171 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.750 1.707 12.038 1.00 0.66 H new ATOM 372 N ALA A 27 -8.811 2.563 5.206 1.00 0.40 N ATOM 373 CA ALA A 27 -9.416 3.342 4.135 1.00 0.44 C ATOM 374 C ALA A 27 -10.752 3.927 4.585 1.00 0.48 C ATOM 375 O ALA A 27 -11.064 5.079 4.295 1.00 0.55 O ATOM 376 CB ALA A 27 -9.605 2.480 2.898 1.00 0.47 C ATOM 0 H ALA A 27 -8.732 1.566 5.006 1.00 0.40 H new ATOM 0 HA ALA A 27 -8.747 4.166 3.887 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -10.058 3.075 2.105 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.637 2.107 2.563 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -10.255 1.639 3.137 1.00 0.47 H new ATOM 382 N LYS A 28 -11.527 3.120 5.306 1.00 0.48 N ATOM 383 CA LYS A 28 -12.820 3.554 5.828 1.00 0.56 C ATOM 384 C LYS A 28 -12.645 4.676 6.853 1.00 0.62 C ATOM 385 O LYS A 28 -13.396 5.652 6.854 1.00 0.73 O ATOM 386 CB LYS A 28 -13.552 2.372 6.473 1.00 0.58 C ATOM 387 CG LYS A 28 -14.952 2.710 6.965 1.00 1.02 C ATOM 388 CD LYS A 28 -15.545 1.580 7.795 1.00 1.11 C ATOM 389 CE LYS A 28 -15.639 0.286 7.003 1.00 1.31 C ATOM 390 NZ LYS A 28 -16.231 -0.817 7.806 1.00 2.06 N ATOM 0 H LYS A 28 -11.281 2.159 5.542 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.413 3.934 4.996 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -13.618 1.559 5.750 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -12.961 2.005 7.312 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -14.918 3.621 7.562 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -15.599 2.913 6.111 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -14.931 1.420 8.681 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -16.538 1.866 8.142 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -16.244 0.450 6.111 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -14.645 -0.005 6.665 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -16.277 -1.681 7.229 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -15.641 -0.992 8.644 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -17.190 -0.551 8.108 1.00 2.06 H new ATOM 396 N MET A 29 -11.683 4.494 7.754 1.00 0.60 N ATOM 397 CA MET A 29 -11.430 5.459 8.824 1.00 0.73 C ATOM 398 C MET A 29 -10.756 6.719 8.290 1.00 0.75 C ATOM 399 O MET A 29 -10.942 7.810 8.832 1.00 1.07 O ATOM 400 CB MET A 29 -10.558 4.833 9.915 1.00 1.26 C ATOM 401 CG MET A 29 -11.202 3.645 10.611 1.00 1.48 C ATOM 402 SD MET A 29 -10.177 2.974 11.935 1.00 2.39 S ATOM 403 CE MET A 29 -8.689 2.547 11.036 1.00 3.09 C ATOM 0 H MET A 29 -11.063 3.684 7.765 1.00 0.60 H new ATOM 0 HA MET A 29 -12.395 5.738 9.248 1.00 0.73 H new ATOM 0 HB2 MET A 29 -9.613 4.515 9.474 1.00 1.26 H new ATOM 0 HB3 MET A 29 -10.322 5.594 10.659 1.00 1.26 H new ATOM 0 HG2 MET A 29 -12.165 3.948 11.021 1.00 1.48 H new ATOM 0 HG3 MET A 29 -11.399 2.863 9.878 1.00 1.48 H new ATOM 0 HE1 MET A 29 -8.031 1.961 11.678 1.00 3.09 H new ATOM 0 HE2 MET A 29 -8.952 1.962 10.155 1.00 3.09 H new ATOM 0 HE3 MET A 29 -8.177 3.458 10.727 1.00 3.09 H new ATOM 409 N GLY A 30 -9.920 6.549 7.280 1.00 0.77 N ATOM 410 CA GLY A 30 -9.176 7.663 6.734 1.00 1.31 C ATOM 411 C GLY A 30 -7.911 7.941 7.517 1.00 0.87 C ATOM 412 O GLY A 30 -7.608 9.091 7.841 1.00 1.43 O ATOM 0 H GLY A 30 -9.742 5.653 6.826 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.920 7.453 5.695 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -9.805 8.553 6.734 1.00 1.31 H new ATOM 416 N GLY A 31 -7.180 6.883 7.836 1.00 0.71 N ATOM 417 CA GLY A 31 -5.967 7.028 8.615 1.00 1.01 C ATOM 418 C GLY A 31 -4.760 6.425 7.927 1.00 1.00 C ATOM 419 O GLY A 31 -4.048 5.609 8.514 1.00 1.67 O ATOM 0 H GLY A 31 -7.406 5.925 7.569 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -5.784 8.086 8.802 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -6.103 6.552 9.586 1.00 1.01 H new ATOM 423 N ALA A 32 -4.527 6.831 6.687 1.00 0.55 N ATOM 424 CA ALA A 32 -3.395 6.338 5.915 1.00 0.47 C ATOM 425 C ALA A 32 -3.021 7.335 4.827 1.00 0.42 C ATOM 426 O ALA A 32 -3.889 7.995 4.254 1.00 0.45 O ATOM 427 CB ALA A 32 -3.715 4.981 5.303 1.00 0.45 C ATOM 0 H ALA A 32 -5.111 7.505 6.191 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.545 6.221 6.587 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -2.857 4.629 4.730 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -3.939 4.268 6.096 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.578 5.074 4.644 1.00 0.45 H new ATOM 433 N LYS A 33 -1.728 7.478 4.578 1.00 0.43 N ATOM 434 CA LYS A 33 -1.242 8.416 3.577 1.00 0.45 C ATOM 435 C LYS A 33 -1.344 7.827 2.177 1.00 0.40 C ATOM 436 O LYS A 33 -1.912 8.447 1.275 1.00 0.43 O ATOM 437 CB LYS A 33 0.201 8.824 3.881 1.00 0.54 C ATOM 438 CG LYS A 33 0.318 9.765 5.068 1.00 1.19 C ATOM 439 CD LYS A 33 -0.423 11.065 4.806 1.00 1.27 C ATOM 440 CE LYS A 33 -0.404 11.988 6.011 1.00 1.41 C ATOM 441 NZ LYS A 33 -1.044 13.297 5.708 1.00 1.85 N ATOM 0 H LYS A 33 -0.995 6.955 5.057 1.00 0.43 H new ATOM 0 HA LYS A 33 -1.872 9.305 3.616 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.792 7.929 4.075 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.629 9.304 3.001 1.00 0.54 H new ATOM 0 HG2 LYS A 33 -0.087 9.285 5.959 1.00 1.19 H new ATOM 0 HG3 LYS A 33 1.369 9.975 5.268 1.00 1.19 H new ATOM 0 HD2 LYS A 33 0.028 11.573 3.954 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -1.456 10.845 4.535 1.00 1.27 H new ATOM 0 HE2 LYS A 33 -0.923 11.512 6.843 1.00 1.41 H new ATOM 0 HE3 LYS A 33 0.626 12.151 6.329 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 -1.013 13.902 6.553 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 -0.533 13.762 4.931 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 -2.034 13.143 5.428 1.00 1.85 H new ATOM 447 N LEU A 34 -0.831 6.618 2.005 1.00 0.36 N ATOM 448 CA LEU A 34 -0.885 5.945 0.714 1.00 0.34 C ATOM 449 C LEU A 34 -1.151 4.459 0.898 1.00 0.32 C ATOM 450 O LEU A 34 -0.391 3.768 1.570 1.00 0.49 O ATOM 451 CB LEU A 34 0.434 6.148 -0.043 1.00 0.40 C ATOM 452 CG LEU A 34 0.575 5.359 -1.350 1.00 0.51 C ATOM 453 CD1 LEU A 34 -0.487 5.776 -2.355 1.00 1.06 C ATOM 454 CD2 LEU A 34 1.965 5.544 -1.935 1.00 0.99 C ATOM 0 H LEU A 34 -0.373 6.082 2.742 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.700 6.377 0.134 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.545 7.209 -0.266 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.257 5.874 0.617 1.00 0.40 H new ATOM 0 HG LEU A 34 0.431 4.302 -1.125 1.00 0.51 H new ATOM 0 HD11 LEU A 34 -0.365 5.201 -3.273 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.476 5.588 -1.938 1.00 1.06 H new ATOM 0 HD13 LEU A 34 -0.382 6.838 -2.575 1.00 1.06 H new ATOM 0 HD21 LEU A 34 2.048 4.977 -2.862 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.136 6.601 -2.139 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.710 5.187 -1.224 1.00 0.99 H new ATOM 464 N ILE A 35 -2.183 3.954 0.248 1.00 0.26 N ATOM 465 CA ILE A 35 -2.464 2.529 0.289 1.00 0.23 C ATOM 466 C ILE A 35 -2.008 1.877 -1.008 1.00 0.24 C ATOM 467 O ILE A 35 -2.329 2.351 -2.098 1.00 0.31 O ATOM 468 CB ILE A 35 -3.962 2.238 0.520 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.437 2.904 1.816 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.205 0.734 0.575 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.915 2.727 2.089 1.00 0.30 C ATOM 0 H ILE A 35 -2.836 4.503 -0.311 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.914 2.110 1.131 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.532 2.651 -0.312 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.871 2.494 2.652 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.211 3.969 1.770 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.266 0.543 0.738 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -3.895 0.281 -0.367 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.628 0.302 1.393 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.175 3.226 3.023 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.491 3.163 1.272 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.146 1.665 2.169 1.00 0.30 H new ATOM 481 N ILE A 36 -1.225 0.818 -0.890 1.00 0.22 N ATOM 482 CA ILE A 36 -0.706 0.122 -2.054 1.00 0.25 C ATOM 483 C ILE A 36 -1.292 -1.282 -2.125 1.00 0.24 C ATOM 484 O ILE A 36 -1.241 -2.035 -1.151 1.00 0.25 O ATOM 485 CB ILE A 36 0.835 0.037 -2.017 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.436 1.436 -1.839 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.365 -0.613 -3.289 1.00 0.34 C ATOM 488 CD1 ILE A 36 2.930 1.432 -1.600 1.00 0.40 C ATOM 0 H ILE A 36 -0.934 0.421 0.003 1.00 0.22 H new ATOM 0 HA ILE A 36 -0.997 0.688 -2.939 1.00 0.25 H new ATOM 0 HB ILE A 36 1.130 -0.581 -1.169 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.221 2.030 -2.728 1.00 0.32 H new ATOM 0 HG13 ILE A 36 0.944 1.929 -1.000 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.453 -0.664 -3.245 1.00 0.34 H new ATOM 0 HG22 ILE A 36 0.957 -1.620 -3.380 1.00 0.34 H new ATOM 0 HG23 ILE A 36 1.064 -0.020 -4.153 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.283 2.457 -1.484 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.152 0.867 -0.695 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.433 0.969 -2.449 1.00 0.40 H new ATOM 498 N VAL A 37 -1.871 -1.616 -3.266 1.00 0.25 N ATOM 499 CA VAL A 37 -2.481 -2.924 -3.459 1.00 0.25 C ATOM 500 C VAL A 37 -1.854 -3.627 -4.658 1.00 0.23 C ATOM 501 O VAL A 37 -1.701 -3.028 -5.718 1.00 0.26 O ATOM 502 CB VAL A 37 -4.015 -2.813 -3.662 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.681 -2.239 -2.423 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.354 -1.962 -4.877 1.00 0.31 C ATOM 0 H VAL A 37 -1.932 -0.999 -4.076 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.299 -3.509 -2.557 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.396 -3.820 -3.834 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.756 -2.170 -2.587 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.485 -2.889 -1.570 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.280 -1.246 -2.222 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.437 -1.905 -4.990 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.950 -0.959 -4.743 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.919 -2.412 -5.769 1.00 0.31 H new ATOM 514 N ALA A 38 -1.516 -4.901 -4.503 1.00 0.20 N ATOM 515 CA ALA A 38 -0.968 -5.672 -5.616 1.00 0.21 C ATOM 516 C ALA A 38 -2.022 -5.802 -6.707 1.00 0.27 C ATOM 517 O ALA A 38 -3.154 -6.193 -6.430 1.00 0.33 O ATOM 518 CB ALA A 38 -0.511 -7.043 -5.138 1.00 0.26 C ATOM 0 H ALA A 38 -1.609 -5.419 -3.629 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.100 -5.153 -6.023 1.00 0.21 H new ATOM 0 HB1 ALA A 38 -0.105 -7.605 -5.979 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.259 -6.925 -4.376 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.359 -7.583 -4.716 1.00 0.26 H new ATOM 524 N ARG A 39 -1.687 -5.380 -7.921 1.00 0.41 N ATOM 525 CA ARG A 39 -2.659 -5.366 -9.012 1.00 0.56 C ATOM 526 C ARG A 39 -3.147 -6.778 -9.322 1.00 0.54 C ATOM 527 O ARG A 39 -4.252 -6.965 -9.829 1.00 0.60 O ATOM 528 CB ARG A 39 -2.075 -4.721 -10.273 1.00 0.77 C ATOM 529 CG ARG A 39 -0.912 -5.488 -10.876 1.00 0.96 C ATOM 530 CD ARG A 39 -0.520 -4.943 -12.241 1.00 1.49 C ATOM 531 NE ARG A 39 -1.626 -4.994 -13.202 1.00 2.48 N ATOM 532 CZ ARG A 39 -2.205 -6.119 -13.636 1.00 3.10 C ATOM 533 NH1 ARG A 39 -1.798 -7.303 -13.190 1.00 3.10 N ATOM 534 NH2 ARG A 39 -3.190 -6.053 -14.522 1.00 4.14 N ATOM 0 H ARG A 39 -0.758 -5.045 -8.175 1.00 0.41 H new ATOM 0 HA ARG A 39 -3.508 -4.765 -8.685 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -2.863 -4.629 -11.020 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.745 -3.710 -10.032 1.00 0.77 H new ATOM 0 HG2 ARG A 39 -0.055 -5.435 -10.204 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -1.180 -6.540 -10.969 1.00 0.96 H new ATOM 0 HD2 ARG A 39 -0.182 -3.912 -12.134 1.00 1.49 H new ATOM 0 HD3 ARG A 39 0.322 -5.516 -12.630 1.00 1.49 H new ATOM 0 HE ARG A 39 -1.979 -4.109 -13.565 1.00 2.48 H new ATOM 0 HH11 ARG A 39 -1.039 -7.359 -12.511 1.00 3.10 H new ATOM 0 HH12 ARG A 39 -2.245 -8.156 -13.526 1.00 3.10 H new ATOM 0 HH21 ARG A 39 -3.503 -5.147 -14.870 1.00 4.14 H new ATOM 0 HH22 ARG A 39 -3.634 -6.909 -14.856 1.00 4.14 H new ATOM 542 N ASN A 40 -2.308 -7.760 -9.031 1.00 0.55 N ATOM 543 CA ASN A 40 -2.642 -9.157 -9.276 1.00 0.64 C ATOM 544 C ASN A 40 -3.515 -9.719 -8.157 1.00 0.58 C ATOM 545 O ASN A 40 -4.135 -10.770 -8.317 1.00 0.87 O ATOM 546 CB ASN A 40 -1.368 -9.994 -9.417 1.00 0.81 C ATOM 547 CG ASN A 40 -0.576 -9.658 -10.669 1.00 1.57 C ATOM 548 OD1 ASN A 40 -0.269 -8.497 -10.932 1.00 2.18 O ATOM 549 ND2 ASN A 40 -0.212 -10.675 -11.431 1.00 2.33 N ATOM 0 H ASN A 40 -1.385 -7.615 -8.622 1.00 0.55 H new ATOM 0 HA ASN A 40 -3.206 -9.207 -10.208 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -0.738 -9.838 -8.542 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -1.634 -11.051 -9.434 1.00 0.81 H new ATOM 0 HD21 ASN A 40 0.343 -10.510 -12.271 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -0.486 -11.625 -11.179 1.00 2.33 H new ATOM 554 N ALA A 41 -3.561 -9.013 -7.025 1.00 0.46 N ATOM 555 CA ALA A 41 -4.360 -9.436 -5.875 1.00 0.43 C ATOM 556 C ALA A 41 -5.849 -9.452 -6.211 1.00 0.40 C ATOM 557 O ALA A 41 -6.263 -8.916 -7.241 1.00 0.44 O ATOM 558 CB ALA A 41 -4.097 -8.534 -4.674 1.00 0.47 C ATOM 0 H ALA A 41 -3.051 -8.141 -6.881 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.060 -10.452 -5.620 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -4.701 -8.866 -3.830 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.042 -8.583 -4.406 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.360 -7.507 -4.926 1.00 0.47 H new ATOM 564 N ARG A 42 -6.628 -10.139 -5.374 1.00 0.40 N ATOM 565 CA ARG A 42 -8.062 -10.311 -5.599 1.00 0.43 C ATOM 566 C ARG A 42 -8.738 -8.981 -5.931 1.00 0.44 C ATOM 567 O ARG A 42 -8.614 -8.003 -5.188 1.00 0.42 O ATOM 568 CB ARG A 42 -8.735 -10.934 -4.366 1.00 0.50 C ATOM 569 CG ARG A 42 -8.185 -12.300 -3.982 1.00 0.61 C ATOM 570 CD ARG A 42 -8.225 -13.269 -5.153 1.00 1.23 C ATOM 571 NE ARG A 42 -7.680 -14.583 -4.807 1.00 2.10 N ATOM 572 CZ ARG A 42 -8.347 -15.525 -4.139 1.00 2.98 C ATOM 573 NH1 ARG A 42 -9.626 -15.356 -3.821 1.00 3.25 N ATOM 574 NH2 ARG A 42 -7.738 -16.662 -3.823 1.00 3.98 N ATOM 0 H ARG A 42 -6.284 -10.589 -4.526 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.178 -10.982 -6.450 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.618 -10.256 -3.520 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -9.804 -11.025 -4.556 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -7.158 -12.194 -3.632 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -8.764 -12.706 -3.153 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -9.255 -13.383 -5.492 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -7.660 -12.852 -5.986 1.00 1.23 H new ATOM 0 HE ARG A 42 -6.725 -14.792 -5.097 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -10.109 -14.498 -4.088 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -10.125 -16.084 -3.310 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -6.765 -16.811 -4.091 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -8.243 -17.386 -3.312 1.00 3.98 H new ATOM 582 N PRO A 43 -9.448 -8.934 -7.071 1.00 0.50 N ATOM 583 CA PRO A 43 -10.130 -7.725 -7.544 1.00 0.58 C ATOM 584 C PRO A 43 -11.085 -7.144 -6.506 1.00 0.60 C ATOM 585 O PRO A 43 -11.177 -5.927 -6.349 1.00 0.64 O ATOM 586 CB PRO A 43 -10.911 -8.207 -8.769 1.00 0.67 C ATOM 587 CG PRO A 43 -10.170 -9.407 -9.243 1.00 0.86 C ATOM 588 CD PRO A 43 -9.610 -10.058 -8.011 1.00 0.55 C ATOM 0 HA PRO A 43 -9.422 -6.925 -7.758 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -11.940 -8.454 -8.510 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -10.953 -7.437 -9.540 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -10.831 -10.088 -9.778 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -9.374 -9.127 -9.933 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -10.285 -10.817 -7.616 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -8.660 -10.551 -8.214 1.00 0.55 H new ATOM 590 N ASP A 44 -11.784 -8.023 -5.793 1.00 0.61 N ATOM 591 CA ASP A 44 -12.735 -7.602 -4.763 1.00 0.68 C ATOM 592 C ASP A 44 -12.032 -6.834 -3.657 1.00 0.60 C ATOM 593 O ASP A 44 -12.507 -5.787 -3.217 1.00 0.65 O ATOM 594 CB ASP A 44 -13.448 -8.812 -4.158 1.00 0.77 C ATOM 595 CG ASP A 44 -14.440 -9.450 -5.105 1.00 1.62 C ATOM 596 OD1 ASP A 44 -14.694 -8.885 -6.191 1.00 2.48 O ATOM 597 OD2 ASP A 44 -14.974 -10.527 -4.766 1.00 2.04 O ATOM 0 H ASP A 44 -11.711 -9.034 -5.908 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.468 -6.952 -5.240 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -12.706 -9.554 -3.864 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -13.967 -8.504 -3.250 1.00 0.77 H new ATOM 600 N ILE A 45 -10.884 -7.354 -3.236 1.00 0.50 N ATOM 601 CA ILE A 45 -10.084 -6.729 -2.192 1.00 0.44 C ATOM 602 C ILE A 45 -9.656 -5.328 -2.609 1.00 0.40 C ATOM 603 O ILE A 45 -9.861 -4.362 -1.873 1.00 0.38 O ATOM 604 CB ILE A 45 -8.830 -7.575 -1.863 1.00 0.45 C ATOM 605 CG1 ILE A 45 -9.241 -8.920 -1.252 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.890 -6.824 -0.926 1.00 0.42 C ATOM 607 CD1 ILE A 45 -10.044 -8.791 0.027 1.00 0.62 C ATOM 0 H ILE A 45 -10.485 -8.216 -3.607 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.706 -6.665 -1.299 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.294 -7.763 -2.793 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.827 -9.477 -1.983 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -8.344 -9.506 -1.050 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -7.018 -7.443 -0.712 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.569 -5.896 -1.399 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -8.410 -6.596 0.005 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -10.298 -9.784 0.399 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -9.453 -8.263 0.776 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.959 -8.234 -0.173 1.00 0.62 H new ATOM 617 N LYS A 46 -9.115 -5.215 -3.817 1.00 0.45 N ATOM 618 CA LYS A 46 -8.679 -3.924 -4.332 1.00 0.50 C ATOM 619 C LYS A 46 -9.852 -2.960 -4.449 1.00 0.52 C ATOM 620 O LYS A 46 -9.753 -1.806 -4.041 1.00 0.51 O ATOM 621 CB LYS A 46 -8.014 -4.077 -5.700 1.00 0.58 C ATOM 622 CG LYS A 46 -6.793 -4.982 -5.700 1.00 0.59 C ATOM 623 CD LYS A 46 -6.086 -4.949 -7.046 1.00 0.74 C ATOM 624 CE LYS A 46 -7.018 -5.347 -8.179 1.00 1.09 C ATOM 625 NZ LYS A 46 -6.372 -5.208 -9.510 1.00 1.59 N ATOM 0 H LYS A 46 -8.969 -5.998 -4.454 1.00 0.45 H new ATOM 0 HA LYS A 46 -7.954 -3.520 -3.626 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -8.745 -4.472 -6.405 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -7.722 -3.091 -6.062 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.104 -4.668 -4.916 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -7.094 -6.004 -5.469 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -5.698 -3.947 -7.229 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -5.230 -5.624 -7.024 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -7.339 -6.379 -8.038 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -7.914 -4.727 -8.145 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -7.049 -5.474 -10.254 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -6.074 -4.222 -9.650 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -5.541 -5.831 -9.559 1.00 1.59 H new ATOM 631 N GLU A 47 -10.954 -3.440 -5.011 1.00 0.59 N ATOM 632 CA GLU A 47 -12.130 -2.609 -5.235 1.00 0.65 C ATOM 633 C GLU A 47 -12.652 -2.032 -3.924 1.00 0.55 C ATOM 634 O GLU A 47 -12.950 -0.842 -3.842 1.00 0.55 O ATOM 635 CB GLU A 47 -13.228 -3.418 -5.929 1.00 0.79 C ATOM 636 CG GLU A 47 -14.393 -2.574 -6.425 1.00 1.15 C ATOM 637 CD GLU A 47 -13.997 -1.605 -7.524 1.00 1.76 C ATOM 638 OE1 GLU A 47 -12.829 -1.639 -7.960 1.00 2.06 O ATOM 639 OE2 GLU A 47 -14.847 -0.800 -7.957 1.00 2.60 O ATOM 0 H GLU A 47 -11.058 -4.406 -5.322 1.00 0.59 H new ATOM 0 HA GLU A 47 -11.839 -1.780 -5.880 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -12.793 -3.953 -6.774 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -13.605 -4.170 -5.236 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -15.180 -3.232 -6.794 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -14.812 -2.015 -5.588 1.00 1.15 H new ATOM 642 N ASP A 48 -12.704 -2.864 -2.887 1.00 0.50 N ATOM 643 CA ASP A 48 -13.146 -2.415 -1.570 1.00 0.47 C ATOM 644 C ASP A 48 -12.237 -1.318 -1.040 1.00 0.35 C ATOM 645 O ASP A 48 -12.703 -0.261 -0.619 1.00 0.36 O ATOM 646 CB ASP A 48 -13.174 -3.580 -0.575 1.00 0.55 C ATOM 647 CG ASP A 48 -14.534 -4.241 -0.475 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.028 -4.756 -1.497 1.00 1.21 O ATOM 649 OD2 ASP A 48 -15.130 -4.245 0.623 1.00 1.00 O ATOM 0 H ASP A 48 -12.446 -3.850 -2.933 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.156 -2.019 -1.680 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -12.436 -4.324 -0.874 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -12.879 -3.217 0.410 1.00 0.55 H new ATOM 652 N ILE A 49 -10.939 -1.571 -1.081 1.00 0.29 N ATOM 653 CA ILE A 49 -9.954 -0.615 -0.593 1.00 0.24 C ATOM 654 C ILE A 49 -9.995 0.685 -1.390 1.00 0.26 C ATOM 655 O ILE A 49 -10.072 1.771 -0.815 1.00 0.26 O ATOM 656 CB ILE A 49 -8.533 -1.208 -0.655 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.454 -2.474 0.198 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.507 -0.184 -0.193 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.174 -3.254 0.011 1.00 0.36 C ATOM 0 H ILE A 49 -10.540 -2.435 -1.449 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.207 -0.397 0.444 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.308 -1.471 -1.689 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -8.552 -2.200 1.248 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.300 -3.118 -0.044 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.509 -0.620 -0.243 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.552 0.693 -0.838 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -7.723 0.110 0.834 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.190 -4.138 0.648 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -7.083 -3.559 -1.031 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.324 -2.628 0.281 1.00 0.36 H new ATOM 669 N GLU A 50 -9.939 0.570 -2.712 1.00 0.31 N ATOM 670 CA GLU A 50 -9.930 1.736 -3.587 1.00 0.39 C ATOM 671 C GLU A 50 -11.197 2.567 -3.419 1.00 0.43 C ATOM 672 O GLU A 50 -11.136 3.795 -3.349 1.00 0.48 O ATOM 673 CB GLU A 50 -9.770 1.312 -5.049 1.00 0.46 C ATOM 674 CG GLU A 50 -8.439 0.637 -5.345 1.00 0.61 C ATOM 675 CD GLU A 50 -8.303 0.216 -6.793 1.00 1.15 C ATOM 676 OE1 GLU A 50 -9.132 -0.592 -7.261 1.00 1.67 O ATOM 677 OE2 GLU A 50 -7.362 0.681 -7.467 1.00 1.57 O ATOM 0 H GLU A 50 -9.899 -0.323 -3.203 1.00 0.31 H new ATOM 0 HA GLU A 50 -9.078 2.354 -3.303 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.580 0.631 -5.312 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -9.872 2.190 -5.687 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.627 1.319 -5.092 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.331 -0.239 -4.705 1.00 0.61 H new ATOM 680 N TYR A 51 -12.339 1.895 -3.340 1.00 0.44 N ATOM 681 CA TYR A 51 -13.619 2.575 -3.185 1.00 0.52 C ATOM 682 C TYR A 51 -13.708 3.273 -1.828 1.00 0.47 C ATOM 683 O TYR A 51 -14.048 4.454 -1.750 1.00 0.51 O ATOM 684 CB TYR A 51 -14.770 1.577 -3.344 1.00 0.61 C ATOM 685 CG TYR A 51 -16.139 2.192 -3.172 1.00 0.70 C ATOM 686 CD1 TYR A 51 -16.513 3.322 -3.888 1.00 0.78 C ATOM 687 CD2 TYR A 51 -17.055 1.641 -2.289 1.00 0.77 C ATOM 688 CE1 TYR A 51 -17.762 3.886 -3.727 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.305 2.198 -2.121 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.655 3.320 -2.841 1.00 0.91 C ATOM 691 OH TYR A 51 -19.905 3.875 -2.672 1.00 1.03 O ATOM 0 H TYR A 51 -12.405 0.878 -3.381 1.00 0.44 H new ATOM 0 HA TYR A 51 -13.698 3.334 -3.963 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.709 1.120 -4.332 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.648 0.776 -2.615 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -15.815 3.766 -4.582 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.785 0.761 -1.724 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -18.039 4.765 -4.291 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -19.007 1.757 -1.428 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.408 3.353 -2.013 1.00 1.03 H new ATOM 699 N TYR A 52 -13.388 2.540 -0.767 1.00 0.43 N ATOM 700 CA TYR A 52 -13.439 3.085 0.590 1.00 0.42 C ATOM 701 C TYR A 52 -12.489 4.265 0.739 1.00 0.38 C ATOM 702 O TYR A 52 -12.867 5.320 1.256 1.00 0.41 O ATOM 703 CB TYR A 52 -13.084 2.008 1.617 1.00 0.47 C ATOM 704 CG TYR A 52 -14.220 1.063 1.948 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.156 0.689 0.989 1.00 0.81 C ATOM 706 CD2 TYR A 52 -14.354 0.544 3.228 1.00 0.97 C ATOM 707 CE1 TYR A 52 -16.189 -0.177 1.298 1.00 0.89 C ATOM 708 CE2 TYR A 52 -15.381 -0.323 3.543 1.00 1.09 C ATOM 709 CZ TYR A 52 -16.296 -0.680 2.577 1.00 0.84 C ATOM 710 OH TYR A 52 -17.318 -1.549 2.890 1.00 0.97 O ATOM 0 H TYR A 52 -13.090 1.566 -0.818 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.457 3.429 0.771 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.242 1.427 1.241 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -12.752 2.493 2.535 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.074 1.082 -0.014 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -13.642 0.823 3.991 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -16.907 -0.457 0.542 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -15.467 -0.720 4.544 1.00 1.09 H new ATOM 0 HH TYR A 52 -17.249 -1.810 3.832 1.00 0.97 H new ATOM 718 N ALA A 53 -11.268 4.088 0.255 1.00 0.33 N ATOM 719 CA ALA A 53 -10.260 5.132 0.320 1.00 0.34 C ATOM 720 C ALA A 53 -10.674 6.344 -0.502 1.00 0.39 C ATOM 721 O ALA A 53 -10.428 7.478 -0.105 1.00 0.42 O ATOM 722 CB ALA A 53 -8.917 4.602 -0.150 1.00 0.34 C ATOM 0 H ALA A 53 -10.952 3.226 -0.189 1.00 0.33 H new ATOM 0 HA ALA A 53 -10.165 5.447 1.359 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -8.173 5.397 -0.095 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.610 3.773 0.487 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -9.003 4.256 -1.180 1.00 0.34 H new ATOM 728 N ARG A 54 -11.308 6.100 -1.646 1.00 0.42 N ATOM 729 CA ARG A 54 -11.761 7.178 -2.520 1.00 0.50 C ATOM 730 C ARG A 54 -12.741 8.092 -1.789 1.00 0.51 C ATOM 731 O ARG A 54 -12.690 9.316 -1.930 1.00 0.55 O ATOM 732 CB ARG A 54 -12.425 6.605 -3.776 1.00 0.57 C ATOM 733 CG ARG A 54 -12.755 7.655 -4.825 1.00 1.11 C ATOM 734 CD ARG A 54 -11.495 8.336 -5.336 1.00 1.37 C ATOM 735 NE ARG A 54 -11.774 9.312 -6.388 1.00 2.13 N ATOM 736 CZ ARG A 54 -12.350 10.497 -6.188 1.00 3.01 C ATOM 737 NH1 ARG A 54 -12.658 10.897 -4.961 1.00 3.33 N ATOM 738 NH2 ARG A 54 -12.600 11.286 -7.223 1.00 4.04 N ATOM 0 H ARG A 54 -11.520 5.163 -1.990 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.889 7.763 -2.814 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -11.765 5.858 -4.217 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -13.342 6.090 -3.489 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -13.282 7.189 -5.657 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -13.427 8.400 -4.399 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -10.993 8.834 -4.506 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -10.807 7.581 -5.718 1.00 1.37 H new ATOM 0 HE ARG A 54 -11.509 9.069 -7.343 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -12.454 10.296 -4.162 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -13.099 11.805 -4.816 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -12.352 10.985 -8.165 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -13.041 12.194 -7.077 1.00 4.04 H new ATOM 746 N LEU A 55 -13.640 7.483 -1.024 1.00 0.50 N ATOM 747 CA LEU A 55 -14.649 8.219 -0.273 1.00 0.55 C ATOM 748 C LEU A 55 -14.005 9.061 0.822 1.00 0.55 C ATOM 749 O LEU A 55 -14.410 10.197 1.070 1.00 0.61 O ATOM 750 CB LEU A 55 -15.655 7.244 0.347 1.00 0.61 C ATOM 751 CG LEU A 55 -16.348 6.312 -0.647 1.00 0.86 C ATOM 752 CD1 LEU A 55 -17.225 5.311 0.085 1.00 1.31 C ATOM 753 CD2 LEU A 55 -17.175 7.111 -1.644 1.00 1.37 C ATOM 0 H LEU A 55 -13.690 6.471 -0.907 1.00 0.50 H new ATOM 0 HA LEU A 55 -15.168 8.886 -0.961 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -15.139 6.638 1.092 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -16.416 7.818 0.875 1.00 0.61 H new ATOM 0 HG LEU A 55 -15.581 5.765 -1.195 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -17.711 4.656 -0.638 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -16.611 4.715 0.760 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -17.984 5.843 0.659 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -17.660 6.430 -2.343 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.933 7.685 -1.111 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -16.525 7.792 -2.193 1.00 1.37 H new ATOM 763 N SER A 56 -13.040 8.473 1.511 1.00 0.52 N ATOM 764 CA SER A 56 -12.370 9.145 2.614 1.00 0.58 C ATOM 765 C SER A 56 -11.381 10.193 2.098 1.00 0.62 C ATOM 766 O SER A 56 -11.210 11.253 2.703 1.00 1.17 O ATOM 767 CB SER A 56 -11.650 8.124 3.496 1.00 0.56 C ATOM 768 OG SER A 56 -11.263 8.702 4.730 1.00 1.28 O ATOM 0 H SER A 56 -12.702 7.529 1.325 1.00 0.52 H new ATOM 0 HA SER A 56 -13.125 9.657 3.210 1.00 0.58 H new ATOM 0 HB2 SER A 56 -12.304 7.271 3.679 1.00 0.56 H new ATOM 0 HB3 SER A 56 -10.770 7.745 2.976 1.00 0.56 H new ATOM 0 HG SER A 56 -11.557 8.127 5.467 1.00 1.28 H new ATOM 772 N GLY A 57 -10.719 9.878 0.993 1.00 0.48 N ATOM 773 CA GLY A 57 -9.739 10.780 0.424 1.00 0.45 C ATOM 774 C GLY A 57 -8.328 10.251 0.562 1.00 0.35 C ATOM 775 O GLY A 57 -7.389 11.011 0.790 1.00 0.47 O ATOM 0 H GLY A 57 -10.845 9.007 0.478 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.964 10.940 -0.631 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.811 11.750 0.916 1.00 0.45 H new ATOM 779 N ILE A 58 -8.176 8.945 0.414 1.00 0.36 N ATOM 780 CA ILE A 58 -6.866 8.315 0.495 1.00 0.31 C ATOM 781 C ILE A 58 -6.468 7.744 -0.860 1.00 0.32 C ATOM 782 O ILE A 58 -7.218 6.970 -1.461 1.00 0.33 O ATOM 783 CB ILE A 58 -6.839 7.181 1.546 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.237 7.712 2.925 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.458 6.534 1.601 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.284 6.641 3.995 1.00 0.35 C ATOM 0 H ILE A 58 -8.945 8.298 0.237 1.00 0.36 H new ATOM 0 HA ILE A 58 -6.157 9.086 0.798 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.564 6.423 1.249 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.529 8.484 3.226 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.216 8.187 2.854 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.458 5.738 2.346 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -5.213 6.117 0.624 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.715 7.284 1.872 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.573 7.089 4.946 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.013 5.880 3.716 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.300 6.182 4.094 1.00 0.35 H new ATOM 796 N PRO A 59 -5.291 8.124 -1.369 1.00 0.35 N ATOM 797 CA PRO A 59 -4.790 7.627 -2.648 1.00 0.39 C ATOM 798 C PRO A 59 -4.407 6.150 -2.575 1.00 0.36 C ATOM 799 O PRO A 59 -3.711 5.718 -1.649 1.00 0.37 O ATOM 800 CB PRO A 59 -3.548 8.488 -2.924 1.00 0.45 C ATOM 801 CG PRO A 59 -3.589 9.591 -1.917 1.00 0.46 C ATOM 802 CD PRO A 59 -4.346 9.053 -0.743 1.00 0.41 C ATOM 0 HA PRO A 59 -5.545 7.697 -3.432 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.635 7.901 -2.825 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.564 8.884 -3.939 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.582 9.892 -1.627 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -4.080 10.474 -2.326 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.690 8.547 -0.035 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.858 9.843 -0.194 1.00 0.41 H new ATOM 804 N VAL A 60 -4.842 5.388 -3.566 1.00 0.36 N ATOM 805 CA VAL A 60 -4.509 3.975 -3.651 1.00 0.33 C ATOM 806 C VAL A 60 -3.715 3.701 -4.923 1.00 0.39 C ATOM 807 O VAL A 60 -4.165 4.016 -6.024 1.00 0.50 O ATOM 808 CB VAL A 60 -5.769 3.081 -3.643 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.391 1.608 -3.670 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.634 3.383 -2.432 1.00 0.39 C ATOM 0 H VAL A 60 -5.430 5.727 -4.327 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.912 3.732 -2.772 1.00 0.33 H new ATOM 0 HB VAL A 60 -6.343 3.303 -4.543 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.296 1.000 -3.664 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.818 1.396 -4.572 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.788 1.371 -2.793 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.516 2.743 -2.446 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -6.064 3.196 -1.522 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.944 4.428 -2.458 1.00 0.39 H new ATOM 820 N TYR A 61 -2.547 3.104 -4.765 1.00 0.35 N ATOM 821 CA TYR A 61 -1.707 2.766 -5.901 1.00 0.41 C ATOM 822 C TYR A 61 -1.757 1.269 -6.173 1.00 0.39 C ATOM 823 O TYR A 61 -1.471 0.461 -5.285 1.00 0.32 O ATOM 824 CB TYR A 61 -0.259 3.194 -5.642 1.00 0.46 C ATOM 825 CG TYR A 61 0.688 2.832 -6.765 1.00 0.53 C ATOM 826 CD1 TYR A 61 0.574 3.425 -8.016 1.00 0.63 C ATOM 827 CD2 TYR A 61 1.679 1.874 -6.582 1.00 0.56 C ATOM 828 CE1 TYR A 61 1.421 3.078 -9.049 1.00 0.73 C ATOM 829 CE2 TYR A 61 2.532 1.525 -7.611 1.00 0.65 C ATOM 830 CZ TYR A 61 2.396 2.129 -8.842 1.00 0.72 C ATOM 831 OH TYR A 61 3.233 1.773 -9.874 1.00 0.83 O ATOM 0 H TYR A 61 -2.158 2.843 -3.859 1.00 0.35 H new ATOM 0 HA TYR A 61 -2.085 3.299 -6.774 1.00 0.41 H new ATOM 0 HB2 TYR A 61 -0.230 4.272 -5.486 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.089 2.729 -4.720 1.00 0.46 H new ATOM 0 HD1 TYR A 61 -0.190 4.170 -8.183 1.00 0.63 H new ATOM 0 HD2 TYR A 61 1.784 1.395 -5.620 1.00 0.56 H new ATOM 0 HE1 TYR A 61 1.319 3.549 -10.015 1.00 0.73 H new ATOM 0 HE2 TYR A 61 3.301 0.783 -7.452 1.00 0.65 H new ATOM 0 HH TYR A 61 3.865 1.092 -9.562 1.00 0.83 H new ATOM 839 N GLU A 62 -2.013 0.903 -7.420 1.00 0.49 N ATOM 840 CA GLU A 62 -1.941 -0.491 -7.813 1.00 0.52 C ATOM 841 C GLU A 62 -0.504 -0.875 -8.124 1.00 0.50 C ATOM 842 O GLU A 62 0.084 -0.421 -9.107 1.00 0.59 O ATOM 843 CB GLU A 62 -2.848 -0.788 -9.008 1.00 0.68 C ATOM 844 CG GLU A 62 -4.252 -1.213 -8.604 1.00 1.24 C ATOM 845 CD GLU A 62 -5.124 -1.544 -9.795 1.00 1.83 C ATOM 846 OE1 GLU A 62 -5.452 -0.621 -10.568 1.00 2.35 O ATOM 847 OE2 GLU A 62 -5.469 -2.733 -9.981 1.00 2.47 O ATOM 0 H GLU A 62 -2.270 1.547 -8.169 1.00 0.49 H new ATOM 0 HA GLU A 62 -2.295 -1.093 -6.976 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -2.911 0.100 -9.637 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -2.397 -1.575 -9.612 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -4.190 -2.083 -7.950 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -4.718 -0.414 -8.028 1.00 1.24 H new ATOM 850 N PHE A 63 0.041 -1.719 -7.270 1.00 0.42 N ATOM 851 CA PHE A 63 1.393 -2.224 -7.405 1.00 0.41 C ATOM 852 C PHE A 63 1.520 -3.052 -8.674 1.00 0.44 C ATOM 853 O PHE A 63 0.767 -4.008 -8.863 1.00 0.42 O ATOM 854 CB PHE A 63 1.707 -3.089 -6.185 1.00 0.41 C ATOM 855 CG PHE A 63 3.103 -3.627 -6.141 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.185 -2.768 -6.090 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.329 -4.992 -6.124 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.469 -3.260 -6.017 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.612 -5.492 -6.060 1.00 0.47 C ATOM 860 CZ PHE A 63 5.683 -4.621 -6.001 1.00 0.53 C ATOM 0 H PHE A 63 -0.450 -2.078 -6.451 1.00 0.42 H new ATOM 0 HA PHE A 63 2.095 -1.393 -7.467 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.531 -2.501 -5.285 1.00 0.41 H new ATOM 0 HB3 PHE A 63 1.009 -3.926 -6.161 1.00 0.41 H new ATOM 0 HD1 PHE A 63 4.022 -1.701 -6.108 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.491 -5.673 -6.161 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.307 -2.580 -5.972 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.779 -6.559 -6.056 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.690 -5.008 -5.942 1.00 0.53 H new ATOM 868 N GLU A 64 2.488 -2.711 -9.521 1.00 0.61 N ATOM 869 CA GLU A 64 2.732 -3.464 -10.748 1.00 0.70 C ATOM 870 C GLU A 64 3.453 -4.771 -10.428 1.00 0.62 C ATOM 871 O GLU A 64 4.610 -4.972 -10.797 1.00 0.89 O ATOM 872 CB GLU A 64 3.542 -2.639 -11.752 1.00 0.97 C ATOM 873 CG GLU A 64 2.904 -1.302 -12.088 1.00 1.61 C ATOM 874 CD GLU A 64 3.253 -0.817 -13.479 1.00 1.90 C ATOM 875 OE1 GLU A 64 4.460 -0.708 -13.783 1.00 2.08 O ATOM 876 OE2 GLU A 64 2.330 -0.541 -14.273 1.00 2.46 O ATOM 0 H GLU A 64 3.115 -1.919 -9.380 1.00 0.61 H new ATOM 0 HA GLU A 64 1.769 -3.693 -11.203 1.00 0.70 H new ATOM 0 HB2 GLU A 64 4.539 -2.466 -11.348 1.00 0.97 H new ATOM 0 HB3 GLU A 64 3.665 -3.215 -12.669 1.00 0.97 H new ATOM 0 HG2 GLU A 64 1.821 -1.389 -12.000 1.00 1.61 H new ATOM 0 HG3 GLU A 64 3.224 -0.558 -11.358 1.00 1.61 H new ATOM 879 N GLY A 65 2.792 -5.599 -9.641 1.00 0.62 N ATOM 880 CA GLY A 65 3.375 -6.831 -9.180 1.00 0.64 C ATOM 881 C GLY A 65 2.353 -7.686 -8.467 1.00 0.62 C ATOM 882 O GLY A 65 1.319 -7.182 -8.018 1.00 0.82 O ATOM 0 H GLY A 65 1.842 -5.432 -9.309 1.00 0.62 H new ATOM 0 HA2 GLY A 65 3.786 -7.381 -10.027 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.205 -6.614 -8.507 1.00 0.64 H new ATOM 886 N THR A 66 2.617 -8.975 -8.401 1.00 0.63 N ATOM 887 CA THR A 66 1.709 -9.907 -7.763 1.00 0.67 C ATOM 888 C THR A 66 1.880 -9.864 -6.247 1.00 0.60 C ATOM 889 O THR A 66 2.785 -9.201 -5.730 1.00 0.56 O ATOM 890 CB THR A 66 1.907 -11.351 -8.289 1.00 0.83 C ATOM 891 OG1 THR A 66 0.862 -12.201 -7.804 1.00 1.53 O ATOM 892 CG2 THR A 66 3.253 -11.919 -7.870 1.00 1.42 C ATOM 0 H THR A 66 3.459 -9.404 -8.784 1.00 0.63 H new ATOM 0 HA THR A 66 0.693 -9.601 -8.013 1.00 0.67 H new ATOM 0 HB THR A 66 1.875 -11.310 -9.378 1.00 0.83 H new ATOM 0 HG1 THR A 66 0.996 -13.110 -8.144 1.00 1.53 H new ATOM 0 HG21 THR A 66 3.356 -12.933 -8.257 1.00 1.42 H new ATOM 0 HG22 THR A 66 4.052 -11.295 -8.270 1.00 1.42 H new ATOM 0 HG23 THR A 66 3.317 -11.937 -6.782 1.00 1.42 H new ATOM 900 N SER A 67 1.002 -10.565 -5.543 1.00 0.61 N ATOM 901 CA SER A 67 1.025 -10.603 -4.090 1.00 0.58 C ATOM 902 C SER A 67 2.376 -11.104 -3.582 1.00 0.56 C ATOM 903 O SER A 67 2.893 -10.620 -2.573 1.00 0.54 O ATOM 904 CB SER A 67 -0.100 -11.506 -3.584 1.00 0.67 C ATOM 905 OG SER A 67 -0.333 -11.316 -2.202 1.00 1.25 O ATOM 0 H SER A 67 0.257 -11.121 -5.962 1.00 0.61 H new ATOM 0 HA SER A 67 0.875 -9.593 -3.710 1.00 0.58 H new ATOM 0 HB2 SER A 67 -1.014 -11.298 -4.140 1.00 0.67 H new ATOM 0 HB3 SER A 67 0.156 -12.549 -3.771 1.00 0.67 H new ATOM 0 HG SER A 67 -1.058 -11.906 -1.908 1.00 1.25 H new ATOM 909 N VAL A 68 2.953 -12.057 -4.307 1.00 0.64 N ATOM 910 CA VAL A 68 4.253 -12.611 -3.948 1.00 0.67 C ATOM 911 C VAL A 68 5.341 -11.544 -4.039 1.00 0.58 C ATOM 912 O VAL A 68 6.140 -11.381 -3.122 1.00 0.59 O ATOM 913 CB VAL A 68 4.634 -13.794 -4.864 1.00 0.79 C ATOM 914 CG1 VAL A 68 5.900 -14.474 -4.366 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.490 -14.788 -4.962 1.00 0.97 C ATOM 0 H VAL A 68 2.540 -12.462 -5.147 1.00 0.64 H new ATOM 0 HA VAL A 68 4.176 -12.968 -2.921 1.00 0.67 H new ATOM 0 HB VAL A 68 4.830 -13.403 -5.862 1.00 0.79 H new ATOM 0 HG11 VAL A 68 6.150 -15.305 -5.026 1.00 0.84 H new ATOM 0 HG12 VAL A 68 6.720 -13.756 -4.359 1.00 0.84 H new ATOM 0 HG13 VAL A 68 5.738 -14.849 -3.356 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.780 -15.613 -5.612 1.00 0.97 H new ATOM 0 HG22 VAL A 68 3.256 -15.173 -3.969 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.612 -14.292 -5.375 1.00 0.97 H new ATOM 925 N GLU A 69 5.344 -10.812 -5.147 1.00 0.57 N ATOM 926 CA GLU A 69 6.335 -9.768 -5.385 1.00 0.55 C ATOM 927 C GLU A 69 6.245 -8.676 -4.331 1.00 0.48 C ATOM 928 O GLU A 69 7.262 -8.241 -3.793 1.00 0.52 O ATOM 929 CB GLU A 69 6.151 -9.169 -6.781 1.00 0.65 C ATOM 930 CG GLU A 69 6.289 -10.195 -7.891 1.00 1.35 C ATOM 931 CD GLU A 69 7.628 -10.898 -7.859 1.00 1.73 C ATOM 932 OE1 GLU A 69 8.642 -10.275 -8.233 1.00 1.82 O ATOM 933 OE2 GLU A 69 7.670 -12.089 -7.490 1.00 2.65 O ATOM 0 H GLU A 69 4.666 -10.923 -5.901 1.00 0.57 H new ATOM 0 HA GLU A 69 7.324 -10.222 -5.321 1.00 0.55 H new ATOM 0 HB2 GLU A 69 5.167 -8.704 -6.844 1.00 0.65 H new ATOM 0 HB3 GLU A 69 6.887 -8.379 -6.931 1.00 0.65 H new ATOM 0 HG2 GLU A 69 5.492 -10.933 -7.802 1.00 1.35 H new ATOM 0 HG3 GLU A 69 6.162 -9.703 -8.855 1.00 1.35 H new ATOM 936 N LEU A 70 5.024 -8.271 -4.005 1.00 0.44 N ATOM 937 CA LEU A 70 4.814 -7.266 -2.974 1.00 0.41 C ATOM 938 C LEU A 70 5.245 -7.804 -1.613 1.00 0.48 C ATOM 939 O LEU A 70 5.858 -7.089 -0.821 1.00 0.56 O ATOM 940 CB LEU A 70 3.352 -6.820 -2.936 1.00 0.41 C ATOM 941 CG LEU A 70 3.059 -5.651 -1.992 1.00 0.38 C ATOM 942 CD1 LEU A 70 3.917 -4.440 -2.339 1.00 0.41 C ATOM 943 CD2 LEU A 70 1.581 -5.290 -2.038 1.00 0.43 C ATOM 0 H LEU A 70 4.169 -8.621 -4.438 1.00 0.44 H new ATOM 0 HA LEU A 70 5.426 -6.397 -3.215 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.047 -6.539 -3.944 1.00 0.41 H new ATOM 0 HB3 LEU A 70 2.736 -7.669 -2.641 1.00 0.41 H new ATOM 0 HG LEU A 70 3.310 -5.962 -0.978 1.00 0.38 H new ATOM 0 HD11 LEU A 70 3.689 -3.624 -1.653 1.00 0.41 H new ATOM 0 HD12 LEU A 70 4.971 -4.704 -2.251 1.00 0.41 H new ATOM 0 HD13 LEU A 70 3.705 -4.125 -3.361 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.389 -4.457 -1.362 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.308 -5.003 -3.054 1.00 0.43 H new ATOM 0 HD23 LEU A 70 0.987 -6.151 -1.732 1.00 0.43 H new ATOM 953 N GLY A 71 5.011 -9.096 -1.392 1.00 0.54 N ATOM 954 CA GLY A 71 5.467 -9.741 -0.174 1.00 0.68 C ATOM 955 C GLY A 71 6.979 -9.708 -0.046 1.00 0.71 C ATOM 956 O GLY A 71 7.514 -9.370 1.012 1.00 0.84 O ATOM 0 H GLY A 71 4.512 -9.708 -2.038 1.00 0.54 H new ATOM 0 HA2 GLY A 71 5.019 -9.246 0.688 1.00 0.68 H new ATOM 0 HA3 GLY A 71 5.124 -10.776 -0.161 1.00 0.68 H new ATOM 960 N THR A 72 7.664 -10.004 -1.146 1.00 0.65 N ATOM 961 CA THR A 72 9.116 -9.956 -1.183 1.00 0.75 C ATOM 962 C THR A 72 9.606 -8.522 -0.991 1.00 0.75 C ATOM 963 O THR A 72 10.568 -8.273 -0.260 1.00 0.88 O ATOM 964 CB THR A 72 9.655 -10.499 -2.520 1.00 0.80 C ATOM 965 OG1 THR A 72 8.916 -11.663 -2.911 1.00 1.46 O ATOM 966 CG2 THR A 72 11.132 -10.850 -2.407 1.00 1.12 C ATOM 0 H THR A 72 7.231 -10.281 -2.027 1.00 0.65 H new ATOM 0 HA THR A 72 9.488 -10.582 -0.372 1.00 0.75 H new ATOM 0 HB THR A 72 9.537 -9.721 -3.274 1.00 0.80 H new ATOM 0 HG1 THR A 72 7.989 -11.412 -3.104 1.00 1.46 H new ATOM 0 HG21 THR A 72 11.490 -11.231 -3.364 1.00 1.12 H new ATOM 0 HG22 THR A 72 11.698 -9.959 -2.137 1.00 1.12 H new ATOM 0 HG23 THR A 72 11.267 -11.612 -1.639 1.00 1.12 H new ATOM 974 N LEU A 73 8.932 -7.586 -1.653 1.00 0.65 N ATOM 975 CA LEU A 73 9.286 -6.172 -1.577 1.00 0.73 C ATOM 976 C LEU A 73 9.149 -5.669 -0.142 1.00 0.84 C ATOM 977 O LEU A 73 10.047 -5.012 0.386 1.00 0.97 O ATOM 978 CB LEU A 73 8.367 -5.359 -2.511 1.00 0.71 C ATOM 979 CG LEU A 73 8.914 -4.009 -3.010 1.00 0.91 C ATOM 980 CD1 LEU A 73 9.157 -3.044 -1.863 1.00 1.51 C ATOM 981 CD2 LEU A 73 10.186 -4.223 -3.816 1.00 1.47 C ATOM 0 H LEU A 73 8.131 -7.784 -2.253 1.00 0.65 H new ATOM 0 HA LEU A 73 10.322 -6.047 -1.892 1.00 0.73 H new ATOM 0 HB2 LEU A 73 8.134 -5.974 -3.380 1.00 0.71 H new ATOM 0 HB3 LEU A 73 7.428 -5.175 -1.989 1.00 0.71 H new ATOM 0 HG LEU A 73 8.160 -3.560 -3.656 1.00 0.91 H new ATOM 0 HD11 LEU A 73 9.543 -2.103 -2.255 1.00 1.51 H new ATOM 0 HD12 LEU A 73 8.220 -2.861 -1.337 1.00 1.51 H new ATOM 0 HD13 LEU A 73 9.883 -3.474 -1.173 1.00 1.51 H new ATOM 0 HD21 LEU A 73 10.563 -3.261 -4.163 1.00 1.47 H new ATOM 0 HD22 LEU A 73 10.938 -4.702 -3.189 1.00 1.47 H new ATOM 0 HD23 LEU A 73 9.970 -4.859 -4.674 1.00 1.47 H new ATOM 991 N LEU A 74 8.017 -5.977 0.476 1.00 0.84 N ATOM 992 CA LEU A 74 7.728 -5.514 1.823 1.00 1.03 C ATOM 993 C LEU A 74 8.628 -6.199 2.843 1.00 1.24 C ATOM 994 O LEU A 74 8.982 -5.609 3.865 1.00 1.47 O ATOM 995 CB LEU A 74 6.258 -5.762 2.164 1.00 1.01 C ATOM 996 CG LEU A 74 5.747 -5.011 3.391 1.00 0.93 C ATOM 997 CD1 LEU A 74 5.845 -3.508 3.173 1.00 1.79 C ATOM 998 CD2 LEU A 74 4.315 -5.408 3.700 1.00 1.14 C ATOM 0 H LEU A 74 7.281 -6.549 0.062 1.00 0.84 H new ATOM 0 HA LEU A 74 7.925 -4.443 1.862 1.00 1.03 H new ATOM 0 HB2 LEU A 74 5.649 -5.482 1.305 1.00 1.01 H new ATOM 0 HB3 LEU A 74 6.112 -6.830 2.323 1.00 1.01 H new ATOM 0 HG LEU A 74 6.371 -5.279 4.243 1.00 0.93 H new ATOM 0 HD11 LEU A 74 5.477 -2.987 4.057 1.00 1.79 H new ATOM 0 HD12 LEU A 74 6.885 -3.233 2.997 1.00 1.79 H new ATOM 0 HD13 LEU A 74 5.244 -3.226 2.309 1.00 1.79 H new ATOM 0 HD21 LEU A 74 3.968 -4.863 4.578 1.00 1.14 H new ATOM 0 HD22 LEU A 74 3.679 -5.168 2.848 1.00 1.14 H new ATOM 0 HD23 LEU A 74 4.269 -6.479 3.897 1.00 1.14 H new ATOM 1008 N GLY A 75 8.983 -7.444 2.571 1.00 1.24 N ATOM 1009 CA GLY A 75 9.825 -8.185 3.484 1.00 1.50 C ATOM 1010 C GLY A 75 9.021 -9.028 4.448 1.00 1.63 C ATOM 1011 O GLY A 75 9.163 -8.908 5.666 1.00 2.22 O ATOM 0 H GLY A 75 8.703 -7.955 1.734 1.00 1.24 H new ATOM 0 HA2 GLY A 75 10.497 -8.828 2.915 1.00 1.50 H new ATOM 0 HA3 GLY A 75 10.449 -7.490 4.046 1.00 1.50 H new ATOM 1015 N ARG A 76 8.181 -9.892 3.906 1.00 1.47 N ATOM 1016 CA ARG A 76 7.369 -10.777 4.724 1.00 1.63 C ATOM 1017 C ARG A 76 7.256 -12.143 4.056 1.00 1.48 C ATOM 1018 O ARG A 76 7.007 -12.228 2.852 1.00 1.41 O ATOM 1019 CB ARG A 76 5.972 -10.181 4.937 1.00 1.84 C ATOM 1020 CG ARG A 76 5.154 -10.918 5.988 1.00 1.98 C ATOM 1021 CD ARG A 76 3.753 -10.344 6.140 1.00 2.35 C ATOM 1022 NE ARG A 76 2.909 -10.611 4.972 1.00 3.01 N ATOM 1023 CZ ARG A 76 1.594 -10.389 4.942 1.00 3.50 C ATOM 1024 NH1 ARG A 76 0.975 -9.912 6.014 1.00 3.60 N ATOM 1025 NH2 ARG A 76 0.900 -10.655 3.844 1.00 4.36 N ATOM 0 H ARG A 76 8.043 -10.000 2.901 1.00 1.47 H new ATOM 0 HA ARG A 76 7.849 -10.892 5.696 1.00 1.63 H new ATOM 0 HB2 ARG A 76 6.072 -9.136 5.232 1.00 1.84 H new ATOM 0 HB3 ARG A 76 5.431 -10.195 3.991 1.00 1.84 H new ATOM 0 HG2 ARG A 76 5.085 -11.972 5.717 1.00 1.98 H new ATOM 0 HG3 ARG A 76 5.670 -10.868 6.947 1.00 1.98 H new ATOM 0 HD2 ARG A 76 3.284 -10.768 7.028 1.00 2.35 H new ATOM 0 HD3 ARG A 76 3.820 -9.268 6.298 1.00 2.35 H new ATOM 0 HE ARG A 76 3.352 -10.988 4.134 1.00 3.01 H new ATOM 0 HH11 ARG A 76 1.505 -9.714 6.863 1.00 3.60 H new ATOM 0 HH12 ARG A 76 -0.031 -9.743 5.989 1.00 3.60 H new ATOM 0 HH21 ARG A 76 1.372 -11.030 3.021 1.00 4.36 H new ATOM 0 HH22 ARG A 76 -0.105 -10.485 3.822 1.00 4.36 H new ATOM 1033 N PRO A 77 7.406 -13.234 4.830 1.00 1.57 N ATOM 1034 CA PRO A 77 7.285 -14.595 4.309 1.00 1.60 C ATOM 1035 C PRO A 77 5.823 -15.008 4.137 1.00 1.55 C ATOM 1036 O PRO A 77 5.437 -16.133 4.452 1.00 1.73 O ATOM 1037 CB PRO A 77 7.972 -15.434 5.383 1.00 1.89 C ATOM 1038 CG PRO A 77 7.742 -14.687 6.651 1.00 1.91 C ATOM 1039 CD PRO A 77 7.668 -13.226 6.284 1.00 1.81 C ATOM 0 HA PRO A 77 7.727 -14.711 3.319 1.00 1.60 H new ATOM 0 HB2 PRO A 77 7.549 -16.437 5.432 1.00 1.89 H new ATOM 0 HB3 PRO A 77 9.036 -15.546 5.177 1.00 1.89 H new ATOM 0 HG2 PRO A 77 6.819 -15.013 7.131 1.00 1.91 H new ATOM 0 HG3 PRO A 77 8.551 -14.868 7.359 1.00 1.91 H new ATOM 0 HD2 PRO A 77 6.873 -12.717 6.830 1.00 1.81 H new ATOM 0 HD3 PRO A 77 8.598 -12.708 6.519 1.00 1.81 H new ATOM 1041 N HIS A 78 5.029 -14.080 3.621 1.00 1.55 N ATOM 1042 CA HIS A 78 3.610 -14.289 3.364 1.00 1.56 C ATOM 1043 C HIS A 78 3.150 -13.296 2.310 1.00 1.37 C ATOM 1044 O HIS A 78 3.468 -12.107 2.400 1.00 1.90 O ATOM 1045 CB HIS A 78 2.775 -14.097 4.637 1.00 1.86 C ATOM 1046 CG HIS A 78 2.757 -15.286 5.548 1.00 1.97 C ATOM 1047 ND1 HIS A 78 2.159 -16.483 5.215 1.00 2.84 N ATOM 1048 CD2 HIS A 78 3.276 -15.459 6.787 1.00 1.78 C ATOM 1049 CE1 HIS A 78 2.307 -17.338 6.210 1.00 3.13 C ATOM 1050 NE2 HIS A 78 2.981 -16.740 7.173 1.00 2.47 N ATOM 0 H HIS A 78 5.356 -13.148 3.366 1.00 1.55 H new ATOM 0 HA HIS A 78 3.469 -15.313 3.017 1.00 1.56 H new ATOM 0 HB2 HIS A 78 3.163 -13.239 5.186 1.00 1.86 H new ATOM 0 HB3 HIS A 78 1.751 -13.856 4.353 1.00 1.86 H new ATOM 0 HD2 HIS A 78 3.820 -14.725 7.363 1.00 1.78 H new ATOM 0 HE1 HIS A 78 1.939 -18.353 6.232 1.00 3.13 H new ATOM 0 HE2 HIS A 78 3.241 -17.164 8.064 1.00 2.47 H new ATOM 1057 N THR A 79 2.461 -13.799 1.293 1.00 1.02 N ATOM 1058 CA THR A 79 2.006 -12.975 0.181 1.00 0.90 C ATOM 1059 C THR A 79 1.212 -11.766 0.671 1.00 0.80 C ATOM 1060 O THR A 79 0.225 -11.909 1.389 1.00 1.06 O ATOM 1061 CB THR A 79 1.138 -13.804 -0.783 1.00 1.08 C ATOM 1062 OG1 THR A 79 0.204 -14.602 -0.037 1.00 1.25 O ATOM 1063 CG2 THR A 79 2.000 -14.703 -1.655 1.00 1.21 C ATOM 0 H THR A 79 2.203 -14.783 1.216 1.00 1.02 H new ATOM 0 HA THR A 79 2.891 -12.617 -0.344 1.00 0.90 H new ATOM 0 HB THR A 79 0.594 -13.116 -1.430 1.00 1.08 H new ATOM 0 HG1 THR A 79 -0.193 -14.060 0.676 1.00 1.25 H new ATOM 0 HG21 THR A 79 1.363 -15.278 -2.327 1.00 1.21 H new ATOM 0 HG22 THR A 79 2.687 -14.092 -2.241 1.00 1.21 H new ATOM 0 HG23 THR A 79 2.570 -15.385 -1.023 1.00 1.21 H new ATOM 1071 N VAL A 80 1.666 -10.576 0.305 1.00 0.65 N ATOM 1072 CA VAL A 80 0.991 -9.353 0.714 1.00 0.55 C ATOM 1073 C VAL A 80 -0.014 -8.929 -0.345 1.00 0.48 C ATOM 1074 O VAL A 80 0.344 -8.724 -1.505 1.00 0.56 O ATOM 1075 CB VAL A 80 1.989 -8.202 0.964 1.00 0.62 C ATOM 1076 CG1 VAL A 80 1.260 -6.937 1.389 1.00 1.16 C ATOM 1077 CG2 VAL A 80 3.014 -8.599 2.012 1.00 1.24 C ATOM 0 H VAL A 80 2.495 -10.431 -0.272 1.00 0.65 H new ATOM 0 HA VAL A 80 0.475 -9.565 1.651 1.00 0.55 H new ATOM 0 HB VAL A 80 2.511 -7.999 0.029 1.00 0.62 H new ATOM 0 HG11 VAL A 80 1.984 -6.140 1.559 1.00 1.16 H new ATOM 0 HG12 VAL A 80 0.566 -6.636 0.604 1.00 1.16 H new ATOM 0 HG13 VAL A 80 0.707 -7.127 2.309 1.00 1.16 H new ATOM 0 HG21 VAL A 80 3.708 -7.774 2.173 1.00 1.24 H new ATOM 0 HG22 VAL A 80 2.506 -8.834 2.947 1.00 1.24 H new ATOM 0 HG23 VAL A 80 3.565 -9.475 1.669 1.00 1.24 H new ATOM 1087 N SER A 81 -1.277 -8.861 0.036 1.00 0.42 N ATOM 1088 CA SER A 81 -2.324 -8.470 -0.891 1.00 0.47 C ATOM 1089 C SER A 81 -2.375 -6.949 -1.003 1.00 0.38 C ATOM 1090 O SER A 81 -2.539 -6.391 -2.093 1.00 0.39 O ATOM 1091 CB SER A 81 -3.675 -9.013 -0.418 1.00 0.55 C ATOM 1092 OG SER A 81 -3.600 -10.403 -0.140 1.00 1.18 O ATOM 0 H SER A 81 -1.602 -9.071 0.980 1.00 0.42 H new ATOM 0 HA SER A 81 -2.105 -8.889 -1.873 1.00 0.47 H new ATOM 0 HB2 SER A 81 -3.992 -8.477 0.476 1.00 0.55 H new ATOM 0 HB3 SER A 81 -4.430 -8.833 -1.183 1.00 0.55 H new ATOM 0 HG SER A 81 -4.475 -10.724 0.162 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.215 -6.291 0.139 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.280 -4.842 0.209 1.00 0.30 C ATOM 1098 C ALA A 82 -1.627 -4.336 1.490 1.00 0.30 C ATOM 1099 O ALA A 82 -1.578 -5.050 2.496 1.00 0.34 O ATOM 1100 CB ALA A 82 -3.728 -4.385 0.144 1.00 0.33 C ATOM 0 H ALA A 82 -2.038 -6.746 1.035 1.00 0.32 H new ATOM 0 HA ALA A 82 -1.736 -4.428 -0.640 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -3.769 -3.297 0.197 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.173 -4.720 -0.793 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.282 -4.810 0.981 1.00 0.33 H new ATOM 1106 N LEU A 83 -1.110 -3.115 1.440 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.451 -2.509 2.588 1.00 0.31 C ATOM 1108 C LEU A 83 -0.729 -1.010 2.629 1.00 0.28 C ATOM 1109 O LEU A 83 -0.777 -0.348 1.591 1.00 0.30 O ATOM 1110 CB LEU A 83 1.061 -2.792 2.545 1.00 0.37 C ATOM 1111 CG LEU A 83 1.794 -2.339 1.273 1.00 0.44 C ATOM 1112 CD1 LEU A 83 2.312 -0.914 1.413 1.00 0.88 C ATOM 1113 CD2 LEU A 83 2.935 -3.285 0.956 1.00 0.83 C ATOM 0 H LEU A 83 -1.135 -2.522 0.610 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.852 -2.951 3.500 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.526 -2.305 3.402 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.214 -3.864 2.666 1.00 0.37 H new ATOM 0 HG LEU A 83 1.080 -2.359 0.449 1.00 0.44 H new ATOM 0 HD11 LEU A 83 2.826 -0.622 0.497 1.00 0.88 H new ATOM 0 HD12 LEU A 83 1.475 -0.238 1.591 1.00 0.88 H new ATOM 0 HD13 LEU A 83 3.006 -0.860 2.252 1.00 0.88 H new ATOM 0 HD21 LEU A 83 3.444 -2.951 0.052 1.00 0.83 H new ATOM 0 HD22 LEU A 83 3.640 -3.296 1.787 1.00 0.83 H new ATOM 0 HD23 LEU A 83 2.542 -4.290 0.800 1.00 0.83 H new ATOM 1123 N ALA A 84 -0.981 -0.491 3.820 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.293 0.917 3.983 1.00 0.29 C ATOM 1125 C ALA A 84 -0.118 1.665 4.593 1.00 0.30 C ATOM 1126 O ALA A 84 0.209 1.477 5.766 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.536 1.085 4.847 1.00 0.35 C ATOM 0 H ALA A 84 -0.975 -1.026 4.688 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.490 1.340 2.998 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.759 2.146 4.961 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.380 0.586 4.371 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.360 0.644 5.828 1.00 0.35 H new ATOM 1133 N VAL A 85 0.465 2.569 3.821 1.00 0.35 N ATOM 1134 CA VAL A 85 1.534 3.420 4.316 1.00 0.42 C ATOM 1135 C VAL A 85 0.940 4.568 5.121 1.00 0.41 C ATOM 1136 O VAL A 85 0.325 5.481 4.558 1.00 0.46 O ATOM 1137 CB VAL A 85 2.395 3.993 3.168 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.555 4.814 3.716 1.00 0.69 C ATOM 1139 CG2 VAL A 85 2.904 2.874 2.274 1.00 1.05 C ATOM 0 H VAL A 85 0.214 2.732 2.846 1.00 0.35 H new ATOM 0 HA VAL A 85 2.179 2.808 4.946 1.00 0.42 H new ATOM 0 HB VAL A 85 1.768 4.654 2.569 1.00 0.53 H new ATOM 0 HG11 VAL A 85 4.146 5.206 2.888 1.00 0.69 H new ATOM 0 HG12 VAL A 85 3.167 5.642 4.309 1.00 0.69 H new ATOM 0 HG13 VAL A 85 4.184 4.182 4.343 1.00 0.69 H new ATOM 0 HG21 VAL A 85 3.508 3.296 1.471 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.511 2.186 2.862 1.00 1.05 H new ATOM 0 HG23 VAL A 85 2.058 2.336 1.847 1.00 1.05 H new ATOM 1149 N VAL A 86 1.065 4.482 6.435 1.00 0.44 N ATOM 1150 CA VAL A 86 0.500 5.484 7.325 1.00 0.46 C ATOM 1151 C VAL A 86 1.507 6.596 7.587 1.00 0.47 C ATOM 1152 O VAL A 86 1.175 7.779 7.527 1.00 0.54 O ATOM 1153 CB VAL A 86 0.069 4.865 8.670 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.636 5.894 9.540 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.821 3.656 8.439 1.00 0.53 C ATOM 0 H VAL A 86 1.555 3.725 6.911 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.380 5.896 6.831 1.00 0.46 H new ATOM 0 HB VAL A 86 0.965 4.537 9.196 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.930 5.433 10.483 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.039 6.727 9.738 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.523 6.261 9.023 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -1.115 3.232 9.399 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.711 3.959 7.888 1.00 0.53 H new ATOM 0 HG23 VAL A 86 -0.276 2.908 7.864 1.00 0.53 H new ATOM 1165 N ASP A 87 2.739 6.209 7.873 1.00 0.49 N ATOM 1166 CA ASP A 87 3.790 7.173 8.150 1.00 0.60 C ATOM 1167 C ASP A 87 4.940 6.986 7.171 1.00 0.47 C ATOM 1168 O ASP A 87 5.643 5.974 7.210 1.00 0.62 O ATOM 1169 CB ASP A 87 4.281 7.017 9.591 1.00 0.83 C ATOM 1170 CG ASP A 87 5.164 8.163 10.047 1.00 1.50 C ATOM 1171 OD1 ASP A 87 6.282 8.300 9.507 1.00 2.15 O ATOM 1172 OD2 ASP A 87 4.752 8.930 10.940 1.00 1.94 O ATOM 0 H ASP A 87 3.036 5.234 7.919 1.00 0.49 H new ATOM 0 HA ASP A 87 3.390 8.180 8.028 1.00 0.60 H new ATOM 0 HB2 ASP A 87 3.420 6.943 10.256 1.00 0.83 H new ATOM 0 HB3 ASP A 87 4.834 6.082 9.681 1.00 0.83 H new ATOM 1175 N PRO A 88 5.109 7.942 6.244 1.00 0.45 N ATOM 1176 CA PRO A 88 6.142 7.899 5.217 1.00 0.54 C ATOM 1177 C PRO A 88 7.465 8.480 5.707 1.00 0.93 C ATOM 1178 O PRO A 88 8.045 9.360 5.065 1.00 1.68 O ATOM 1179 CB PRO A 88 5.563 8.767 4.086 1.00 0.69 C ATOM 1180 CG PRO A 88 4.291 9.365 4.615 1.00 0.99 C ATOM 1181 CD PRO A 88 4.284 9.139 6.101 1.00 0.66 C ATOM 0 HA PRO A 88 6.371 6.878 4.912 1.00 0.54 H new ATOM 0 HB2 PRO A 88 6.267 9.547 3.797 1.00 0.69 H new ATOM 0 HB3 PRO A 88 5.369 8.167 3.197 1.00 0.69 H new ATOM 0 HG2 PRO A 88 4.241 10.430 4.387 1.00 0.99 H new ATOM 0 HG3 PRO A 88 3.423 8.898 4.150 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.703 9.987 6.642 1.00 0.66 H new ATOM 0 HD3 PRO A 88 3.275 8.984 6.483 1.00 0.66 H new ATOM 1183 N GLY A 89 7.894 8.040 6.879 1.00 0.73 N ATOM 1184 CA GLY A 89 9.098 8.572 7.477 1.00 1.09 C ATOM 1185 C GLY A 89 10.337 8.314 6.645 1.00 0.99 C ATOM 1186 O GLY A 89 10.668 7.163 6.357 1.00 1.49 O ATOM 0 H GLY A 89 7.426 7.320 7.429 1.00 0.73 H new ATOM 0 HA2 GLY A 89 8.981 9.646 7.621 1.00 1.09 H new ATOM 0 HA3 GLY A 89 9.232 8.131 8.465 1.00 1.09 H new ATOM 1190 N GLU A 90 11.022 9.399 6.290 1.00 0.73 N ATOM 1191 CA GLU A 90 12.284 9.350 5.551 1.00 0.70 C ATOM 1192 C GLU A 90 12.184 8.462 4.305 1.00 0.68 C ATOM 1193 O GLU A 90 13.051 7.626 4.051 1.00 1.07 O ATOM 1194 CB GLU A 90 13.411 8.864 6.471 1.00 0.95 C ATOM 1195 CG GLU A 90 14.775 9.439 6.123 1.00 1.45 C ATOM 1196 CD GLU A 90 15.881 8.954 7.045 1.00 2.32 C ATOM 1197 OE1 GLU A 90 15.612 8.062 7.874 1.00 3.03 O ATOM 1198 OE2 GLU A 90 17.015 9.471 6.965 1.00 2.82 O ATOM 0 H GLU A 90 10.715 10.347 6.509 1.00 0.73 H new ATOM 0 HA GLU A 90 12.510 10.360 5.209 1.00 0.70 H new ATOM 0 HB2 GLU A 90 13.167 9.128 7.500 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.462 7.776 6.424 1.00 0.95 H new ATOM 0 HG2 GLU A 90 15.024 9.172 5.096 1.00 1.45 H new ATOM 0 HG3 GLU A 90 14.725 10.527 6.166 1.00 1.45 H new ATOM 1201 N SER A 91 11.136 8.658 3.520 1.00 0.54 N ATOM 1202 CA SER A 91 10.938 7.876 2.310 1.00 0.53 C ATOM 1203 C SER A 91 10.199 8.685 1.249 1.00 0.49 C ATOM 1204 O SER A 91 9.363 9.534 1.567 1.00 0.57 O ATOM 1205 CB SER A 91 10.167 6.599 2.638 1.00 0.65 C ATOM 1206 OG SER A 91 9.068 6.876 3.484 1.00 1.65 O ATOM 0 H SER A 91 10.410 9.352 3.699 1.00 0.54 H new ATOM 0 HA SER A 91 11.916 7.610 1.908 1.00 0.53 H new ATOM 0 HB2 SER A 91 9.814 6.136 1.717 1.00 0.65 H new ATOM 0 HB3 SER A 91 10.831 5.882 3.121 1.00 0.65 H new ATOM 0 HG SER A 91 9.382 6.975 4.407 1.00 1.65 H new ATOM 1210 N ARG A 92 10.515 8.422 -0.010 1.00 0.50 N ATOM 1211 CA ARG A 92 9.874 9.112 -1.119 1.00 0.55 C ATOM 1212 C ARG A 92 8.740 8.262 -1.677 1.00 0.53 C ATOM 1213 O ARG A 92 8.565 8.152 -2.892 1.00 0.68 O ATOM 1214 CB ARG A 92 10.893 9.424 -2.216 1.00 0.72 C ATOM 1215 CG ARG A 92 12.082 10.234 -1.727 1.00 1.39 C ATOM 1216 CD ARG A 92 13.041 10.565 -2.862 1.00 2.08 C ATOM 1217 NE ARG A 92 12.404 11.368 -3.907 1.00 2.69 N ATOM 1218 CZ ARG A 92 11.947 12.609 -3.729 1.00 3.57 C ATOM 1219 NH1 ARG A 92 12.160 13.248 -2.584 1.00 4.00 N ATOM 1220 NH2 ARG A 92 11.302 13.222 -4.710 1.00 4.45 N ATOM 0 H ARG A 92 11.214 7.734 -0.290 1.00 0.50 H new ATOM 0 HA ARG A 92 9.462 10.053 -0.754 1.00 0.55 H new ATOM 0 HB2 ARG A 92 11.252 8.488 -2.644 1.00 0.72 H new ATOM 0 HB3 ARG A 92 10.396 9.971 -3.017 1.00 0.72 H new ATOM 0 HG2 ARG A 92 11.729 11.157 -1.267 1.00 1.39 H new ATOM 0 HG3 ARG A 92 12.611 9.675 -0.955 1.00 1.39 H new ATOM 0 HD2 ARG A 92 13.900 11.105 -2.464 1.00 2.08 H new ATOM 0 HD3 ARG A 92 13.420 9.640 -3.297 1.00 2.08 H new ATOM 0 HE ARG A 92 12.303 10.951 -4.833 1.00 2.69 H new ATOM 0 HH11 ARG A 92 12.676 12.790 -1.833 1.00 4.00 H new ATOM 0 HH12 ARG A 92 11.807 14.196 -2.456 1.00 4.00 H new ATOM 0 HH21 ARG A 92 11.155 12.745 -5.600 1.00 4.45 H new ATOM 0 HH22 ARG A 92 10.952 14.171 -4.576 1.00 4.45 H new ATOM 1228 N ILE A 93 7.986 7.641 -0.782 1.00 0.46 N ATOM 1229 CA ILE A 93 6.882 6.779 -1.178 1.00 0.57 C ATOM 1230 C ILE A 93 5.734 7.608 -1.759 1.00 0.61 C ATOM 1231 O ILE A 93 5.013 7.160 -2.651 1.00 0.70 O ATOM 1232 CB ILE A 93 6.382 5.921 0.012 1.00 0.65 C ATOM 1233 CG1 ILE A 93 5.376 4.869 -0.459 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.770 6.790 1.101 1.00 0.61 C ATOM 1235 CD1 ILE A 93 5.976 3.832 -1.379 1.00 0.97 C ATOM 0 H ILE A 93 8.119 7.718 0.226 1.00 0.46 H new ATOM 0 HA ILE A 93 7.249 6.101 -1.949 1.00 0.57 H new ATOM 0 HB ILE A 93 7.246 5.409 0.434 1.00 0.65 H new ATOM 0 HG12 ILE A 93 4.951 4.369 0.411 1.00 0.89 H new ATOM 0 HG13 ILE A 93 4.554 5.368 -0.973 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.429 6.159 1.922 1.00 0.61 H new ATOM 0 HG22 ILE A 93 6.518 7.492 1.470 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.924 7.343 0.693 1.00 0.61 H new ATOM 0 HD11 ILE A 93 5.207 3.118 -1.674 1.00 0.97 H new ATOM 0 HD12 ILE A 93 6.376 4.321 -2.267 1.00 0.97 H new ATOM 0 HD13 ILE A 93 6.779 3.307 -0.861 1.00 0.97 H new ATOM 1245 N LEU A 94 5.610 8.846 -1.283 1.00 0.60 N ATOM 1246 CA LEU A 94 4.570 9.756 -1.753 1.00 0.70 C ATOM 1247 C LEU A 94 4.866 10.265 -3.165 1.00 0.70 C ATOM 1248 O LEU A 94 4.044 10.958 -3.765 1.00 0.78 O ATOM 1249 CB LEU A 94 4.424 10.937 -0.790 1.00 0.85 C ATOM 1250 CG LEU A 94 4.059 10.562 0.648 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.989 11.802 1.522 1.00 1.63 C ATOM 1252 CD2 LEU A 94 2.740 9.807 0.687 1.00 1.15 C ATOM 0 H LEU A 94 6.221 9.242 -0.569 1.00 0.60 H new ATOM 0 HA LEU A 94 3.633 9.200 -1.785 1.00 0.70 H new ATOM 0 HB2 LEU A 94 5.361 11.493 -0.777 1.00 0.85 H new ATOM 0 HB3 LEU A 94 3.660 11.610 -1.179 1.00 0.85 H new ATOM 0 HG LEU A 94 4.839 9.909 1.039 1.00 0.81 H new ATOM 0 HD11 LEU A 94 3.728 11.515 2.541 1.00 1.63 H new ATOM 0 HD12 LEU A 94 4.958 12.302 1.523 1.00 1.63 H new ATOM 0 HD13 LEU A 94 3.231 12.480 1.131 1.00 1.63 H new ATOM 0 HD21 LEU A 94 2.498 9.550 1.718 1.00 1.15 H new ATOM 0 HD22 LEU A 94 1.949 10.434 0.275 1.00 1.15 H new ATOM 0 HD23 LEU A 94 2.825 8.895 0.096 1.00 1.15 H new ATOM 1262 N ALA A 95 6.021 9.884 -3.706 1.00 0.66 N ATOM 1263 CA ALA A 95 6.397 10.267 -5.064 1.00 0.75 C ATOM 1264 C ALA A 95 5.428 9.674 -6.081 1.00 0.69 C ATOM 1265 O ALA A 95 5.049 10.333 -7.050 1.00 0.78 O ATOM 1266 CB ALA A 95 7.820 9.826 -5.368 1.00 0.86 C ATOM 0 H ALA A 95 6.713 9.310 -3.224 1.00 0.66 H new ATOM 0 HA ALA A 95 6.347 11.353 -5.137 1.00 0.75 H new ATOM 0 HB1 ALA A 95 8.083 10.120 -6.384 1.00 0.86 H new ATOM 0 HB2 ALA A 95 8.506 10.299 -4.665 1.00 0.86 H new ATOM 0 HB3 ALA A 95 7.893 8.743 -5.273 1.00 0.86 H new ATOM 1272 N LEU A 96 5.009 8.438 -5.833 1.00 0.65 N ATOM 1273 CA LEU A 96 4.071 7.756 -6.714 1.00 0.75 C ATOM 1274 C LEU A 96 2.694 8.405 -6.642 1.00 0.80 C ATOM 1275 O LEU A 96 1.963 8.448 -7.630 1.00 0.98 O ATOM 1276 CB LEU A 96 3.960 6.268 -6.351 1.00 1.12 C ATOM 1277 CG LEU A 96 5.236 5.437 -6.539 1.00 0.80 C ATOM 1278 CD1 LEU A 96 6.183 5.606 -5.360 1.00 1.50 C ATOM 1279 CD2 LEU A 96 4.888 3.973 -6.733 1.00 1.57 C ATOM 0 H LEU A 96 5.306 7.888 -5.027 1.00 0.65 H new ATOM 0 HA LEU A 96 4.451 7.842 -7.732 1.00 0.75 H new ATOM 0 HB2 LEU A 96 3.649 6.190 -5.309 1.00 1.12 H new ATOM 0 HB3 LEU A 96 3.168 5.824 -6.955 1.00 1.12 H new ATOM 0 HG LEU A 96 5.745 5.799 -7.432 1.00 0.80 H new ATOM 0 HD11 LEU A 96 7.078 5.005 -5.523 1.00 1.50 H new ATOM 0 HD12 LEU A 96 6.463 6.655 -5.266 1.00 1.50 H new ATOM 0 HD13 LEU A 96 5.688 5.279 -4.446 1.00 1.50 H new ATOM 0 HD21 LEU A 96 5.803 3.396 -6.865 1.00 1.57 H new ATOM 0 HD22 LEU A 96 4.352 3.607 -5.857 1.00 1.57 H new ATOM 0 HD23 LEU A 96 4.259 3.863 -7.616 1.00 1.57 H new ATOM 1289 N GLY A 97 2.374 8.955 -5.477 1.00 0.85 N ATOM 1290 CA GLY A 97 1.102 9.628 -5.283 1.00 1.14 C ATOM 1291 C GLY A 97 -0.050 8.656 -5.120 1.00 1.15 C ATOM 1292 O GLY A 97 -0.593 8.511 -4.026 1.00 1.79 O ATOM 0 H GLY A 97 2.979 8.947 -4.656 1.00 0.85 H new ATOM 0 HA2 GLY A 97 1.163 10.266 -4.401 1.00 1.14 H new ATOM 0 HA3 GLY A 97 0.906 10.280 -6.134 1.00 1.14 H new