USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 Single : A 3 THR OG1 : rot 41:sc= 0.429 USER MOD Single : A 6 THR OG1 : rot -66:sc= 0.952 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 172:sc= 0.968 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -177:sc= -1.62 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 46 MET CE :methyl -132:sc= -3.3! (180deg=-3.86!) USER MOD Single : A 48 THR OG1 : rot 74:sc= 0.606 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.904 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.778 X(o=-0.78,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 14.621 -8.347 -2.667 1.00 1.52 N ATOM 31 CA THR A 3 13.426 -8.822 -2.022 1.00 1.28 C ATOM 32 C THR A 3 12.276 -7.871 -2.351 1.00 1.04 C ATOM 33 O THR A 3 12.246 -6.731 -1.882 1.00 1.23 O ATOM 34 CB THR A 3 13.652 -8.870 -0.487 1.00 1.66 C ATOM 35 OG1 THR A 3 14.179 -7.605 -0.023 1.00 2.10 O ATOM 36 CG2 THR A 3 14.608 -9.995 -0.112 1.00 2.36 C ATOM 0 HA THR A 3 13.183 -9.824 -2.376 1.00 1.28 H new ATOM 0 HB THR A 3 12.691 -9.059 -0.008 1.00 1.66 H new ATOM 0 HG1 THR A 3 13.719 -6.871 -0.482 1.00 2.10 H new ATOM 0 HG21 THR A 3 14.750 -10.007 0.969 1.00 2.36 H new ATOM 0 HG22 THR A 3 14.191 -10.949 -0.434 1.00 2.36 H new ATOM 0 HG23 THR A 3 15.568 -9.835 -0.602 1.00 2.36 H new ATOM 44 N LEU A 4 11.380 -8.306 -3.200 1.00 0.77 N ATOM 45 CA LEU A 4 10.252 -7.494 -3.590 1.00 0.59 C ATOM 46 C LEU A 4 8.973 -8.103 -3.052 1.00 0.58 C ATOM 47 O LEU A 4 8.701 -9.285 -3.275 1.00 0.79 O ATOM 48 CB LEU A 4 10.181 -7.352 -5.117 1.00 0.63 C ATOM 49 CG LEU A 4 11.378 -6.665 -5.793 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.201 -6.651 -7.303 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.551 -5.244 -5.272 1.00 0.64 C ATOM 0 H LEU A 4 11.409 -9.226 -3.639 1.00 0.77 H new ATOM 0 HA LEU A 4 10.377 -6.497 -3.168 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.069 -8.347 -5.548 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.279 -6.793 -5.367 1.00 0.63 H new ATOM 0 HG LEU A 4 12.276 -7.233 -5.550 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.058 -6.161 -7.765 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.127 -7.675 -7.670 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.291 -6.108 -7.558 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.404 -4.777 -5.764 1.00 0.64 H new ATOM 0 HD22 LEU A 4 10.650 -4.667 -5.482 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.723 -5.269 -4.196 1.00 0.64 H new ATOM 63 N LEU A 5 8.204 -7.301 -2.342 1.00 0.53 N ATOM 64 CA LEU A 5 6.961 -7.745 -1.746 1.00 0.58 C ATOM 65 C LEU A 5 5.963 -8.127 -2.832 1.00 0.47 C ATOM 66 O LEU A 5 5.923 -7.501 -3.898 1.00 0.54 O ATOM 67 CB LEU A 5 6.349 -6.653 -0.833 1.00 0.85 C ATOM 68 CG LEU A 5 5.672 -5.428 -1.498 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.898 -4.632 -0.469 1.00 0.85 C ATOM 70 CD2 LEU A 5 6.669 -4.514 -2.193 1.00 1.27 C ATOM 0 H LEU A 5 8.425 -6.321 -2.162 1.00 0.53 H new ATOM 0 HA LEU A 5 7.181 -8.618 -1.132 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.610 -7.133 -0.192 1.00 0.85 H new ATOM 0 HB3 LEU A 5 7.141 -6.282 -0.183 1.00 0.85 H new ATOM 0 HG LEU A 5 4.995 -5.820 -2.257 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.428 -3.775 -0.951 1.00 0.85 H new ATOM 0 HD12 LEU A 5 4.130 -5.264 -0.023 1.00 0.85 H new ATOM 0 HD13 LEU A 5 5.578 -4.284 0.308 1.00 0.85 H new ATOM 0 HD21 LEU A 5 6.140 -3.673 -2.641 1.00 1.27 H new ATOM 0 HD22 LEU A 5 7.391 -4.143 -1.465 1.00 1.27 H new ATOM 0 HD23 LEU A 5 7.192 -5.070 -2.971 1.00 1.27 H new ATOM 82 N THR A 6 5.189 -9.133 -2.582 1.00 0.43 N ATOM 83 CA THR A 6 4.223 -9.576 -3.546 1.00 0.48 C ATOM 84 C THR A 6 2.857 -8.904 -3.305 1.00 0.49 C ATOM 85 O THR A 6 2.733 -8.033 -2.423 1.00 0.52 O ATOM 86 CB THR A 6 4.091 -11.120 -3.530 1.00 0.58 C ATOM 87 OG1 THR A 6 3.754 -11.581 -2.204 1.00 0.64 O ATOM 88 CG2 THR A 6 5.388 -11.781 -3.980 1.00 0.76 C ATOM 0 H THR A 6 5.204 -9.669 -1.714 1.00 0.43 H new ATOM 0 HA THR A 6 4.574 -9.280 -4.534 1.00 0.48 H new ATOM 0 HB THR A 6 3.296 -11.395 -4.223 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.499 -11.397 -1.595 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.270 -12.864 -3.960 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.627 -11.460 -4.994 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.196 -11.492 -3.308 1.00 0.76 H new ATOM 96 N THR A 7 1.845 -9.317 -4.057 1.00 0.56 N ATOM 97 CA THR A 7 0.494 -8.837 -3.874 1.00 0.62 C ATOM 98 C THR A 7 0.020 -9.261 -2.486 1.00 0.64 C ATOM 99 O THR A 7 -0.631 -8.496 -1.788 1.00 0.73 O ATOM 100 CB THR A 7 -0.433 -9.443 -4.947 1.00 0.74 C ATOM 101 OG1 THR A 7 0.151 -9.236 -6.240 1.00 1.34 O ATOM 102 CG2 THR A 7 -1.798 -8.780 -4.914 1.00 1.19 C ATOM 0 H THR A 7 1.945 -9.996 -4.811 1.00 0.56 H new ATOM 0 HA THR A 7 0.469 -7.751 -3.968 1.00 0.62 H new ATOM 0 HB THR A 7 -0.552 -10.508 -4.746 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.432 -9.620 -6.928 1.00 1.34 H new ATOM 0 HG21 THR A 7 -2.436 -9.223 -5.679 1.00 1.19 H new ATOM 0 HG22 THR A 7 -2.251 -8.928 -3.934 1.00 1.19 H new ATOM 0 HG23 THR A 7 -1.689 -7.713 -5.106 1.00 1.19 H new ATOM 110 N ASP A 8 0.384 -10.488 -2.103 1.00 0.65 N ATOM 111 CA ASP A 8 0.110 -11.036 -0.763 1.00 0.71 C ATOM 112 C ASP A 8 0.637 -10.108 0.317 1.00 0.65 C ATOM 113 O ASP A 8 -0.073 -9.768 1.258 1.00 0.69 O ATOM 114 CB ASP A 8 0.767 -12.424 -0.610 1.00 0.86 C ATOM 115 CG ASP A 8 0.839 -12.911 0.835 1.00 1.61 C ATOM 116 OD1 ASP A 8 -0.159 -13.485 1.333 1.00 1.74 O ATOM 117 OD2 ASP A 8 1.876 -12.723 1.504 1.00 2.44 O ATOM 0 H ASP A 8 0.880 -11.136 -2.714 1.00 0.65 H new ATOM 0 HA ASP A 8 -0.970 -11.130 -0.651 1.00 0.71 H new ATOM 0 HB2 ASP A 8 0.207 -13.149 -1.201 1.00 0.86 H new ATOM 0 HB3 ASP A 8 1.775 -12.387 -1.023 1.00 0.86 H new ATOM 122 N ASP A 9 1.863 -9.663 0.141 1.00 0.60 N ATOM 123 CA ASP A 9 2.525 -8.798 1.113 1.00 0.61 C ATOM 124 C ASP A 9 1.854 -7.458 1.188 1.00 0.56 C ATOM 125 O ASP A 9 1.663 -6.912 2.272 1.00 0.62 O ATOM 126 CB ASP A 9 3.991 -8.602 0.774 1.00 0.64 C ATOM 127 CG ASP A 9 4.785 -9.867 0.834 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.184 -10.278 1.930 1.00 1.32 O ATOM 129 OD2 ASP A 9 5.010 -10.488 -0.213 1.00 2.06 O ATOM 0 H ASP A 9 2.433 -9.886 -0.675 1.00 0.60 H new ATOM 0 HA ASP A 9 2.449 -9.294 2.081 1.00 0.61 H new ATOM 0 HB2 ASP A 9 4.072 -8.177 -0.227 1.00 0.64 H new ATOM 0 HB3 ASP A 9 4.423 -7.877 1.464 1.00 0.64 H new ATOM 134 N LEU A 10 1.502 -6.925 0.031 1.00 0.52 N ATOM 135 CA LEU A 10 0.811 -5.658 -0.040 1.00 0.51 C ATOM 136 C LEU A 10 -0.560 -5.784 0.627 1.00 0.52 C ATOM 137 O LEU A 10 -0.920 -4.974 1.462 1.00 0.58 O ATOM 138 CB LEU A 10 0.648 -5.210 -1.497 1.00 0.50 C ATOM 139 CG LEU A 10 0.009 -3.833 -1.701 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.896 -2.737 -1.135 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.285 -3.587 -3.169 1.00 0.56 C ATOM 0 H LEU A 10 1.687 -7.356 -0.875 1.00 0.52 H new ATOM 0 HA LEU A 10 1.402 -4.907 0.484 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.630 -5.208 -1.969 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.044 -5.951 -2.020 1.00 0.50 H new ATOM 0 HG LEU A 10 -0.937 -3.815 -1.160 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.422 -1.768 -1.291 1.00 0.60 H new ATOM 0 HD12 LEU A 10 1.041 -2.902 -0.067 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.862 -2.754 -1.640 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.738 -2.603 -3.289 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.643 -3.631 -3.738 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.972 -4.350 -3.535 1.00 0.56 H new ATOM 153 N ARG A 11 -1.277 -6.846 0.273 1.00 0.51 N ATOM 154 CA ARG A 11 -2.615 -7.155 0.789 1.00 0.54 C ATOM 155 C ARG A 11 -2.649 -7.108 2.296 1.00 0.53 C ATOM 156 O ARG A 11 -3.509 -6.460 2.878 1.00 0.57 O ATOM 157 CB ARG A 11 -3.032 -8.548 0.326 1.00 0.60 C ATOM 158 CG ARG A 11 -4.390 -9.016 0.824 1.00 0.82 C ATOM 159 CD ARG A 11 -4.665 -10.427 0.352 1.00 0.98 C ATOM 160 NE ARG A 11 -4.647 -10.514 -1.117 1.00 1.50 N ATOM 161 CZ ARG A 11 -3.925 -11.402 -1.821 1.00 2.13 C ATOM 162 NH1 ARG A 11 -3.230 -12.336 -1.202 1.00 2.32 N ATOM 163 NH2 ARG A 11 -3.920 -11.349 -3.140 1.00 3.08 N ATOM 0 H ARG A 11 -0.939 -7.536 -0.398 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.305 -6.404 0.404 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -3.037 -8.565 -0.764 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.277 -9.263 0.652 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.419 -8.978 1.913 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.169 -8.346 0.461 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -3.918 -11.103 0.767 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -5.635 -10.755 0.726 1.00 0.98 H new ATOM 0 HE ARG A 11 -5.224 -9.853 -1.638 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -3.239 -12.387 -0.183 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -2.684 -13.007 -1.742 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -4.464 -10.634 -3.624 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -3.372 -12.023 -3.675 1.00 3.08 H new ATOM 177 N ARG A 12 -1.679 -7.754 2.914 1.00 0.54 N ATOM 178 CA ARG A 12 -1.604 -7.844 4.366 1.00 0.59 C ATOM 179 C ARG A 12 -1.466 -6.467 5.017 1.00 0.61 C ATOM 180 O ARG A 12 -1.977 -6.232 6.106 1.00 0.66 O ATOM 181 CB ARG A 12 -0.486 -8.798 4.784 1.00 0.72 C ATOM 182 CG ARG A 12 -0.712 -10.192 4.232 1.00 0.94 C ATOM 183 CD ARG A 12 0.358 -11.177 4.625 1.00 1.09 C ATOM 184 NE ARG A 12 0.066 -12.498 4.052 1.00 1.71 N ATOM 185 CZ ARG A 12 -0.291 -13.567 4.755 1.00 2.06 C ATOM 186 NH1 ARG A 12 -0.156 -13.571 6.078 1.00 1.90 N ATOM 187 NH2 ARG A 12 -0.723 -14.649 4.128 1.00 3.10 N ATOM 0 H ARG A 12 -0.920 -8.232 2.428 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.545 -8.257 4.729 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.472 -8.416 4.430 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.430 -8.841 5.872 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.678 -10.559 4.580 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.764 -10.139 3.145 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.330 -10.828 4.276 1.00 1.09 H new ATOM 0 HD3 ARG A 12 0.416 -11.248 5.711 1.00 1.09 H new ATOM 0 HE ARG A 12 0.143 -12.602 3.040 1.00 1.71 H new ATOM 0 HH11 ARG A 12 0.222 -12.752 6.555 1.00 1.90 H new ATOM 0 HH12 ARG A 12 -0.431 -14.393 6.616 1.00 1.90 H new ATOM 0 HH21 ARG A 12 -0.781 -14.660 3.110 1.00 3.10 H new ATOM 0 HH22 ARG A 12 -0.998 -15.473 4.663 1.00 3.10 H new ATOM 201 N ALA A 13 -0.841 -5.546 4.314 1.00 0.66 N ATOM 202 CA ALA A 13 -0.686 -4.187 4.802 1.00 0.77 C ATOM 203 C ALA A 13 -2.007 -3.444 4.747 1.00 0.66 C ATOM 204 O ALA A 13 -2.301 -2.599 5.607 1.00 0.70 O ATOM 205 CB ALA A 13 0.331 -3.458 3.995 1.00 0.95 C ATOM 0 H ALA A 13 -0.429 -5.713 3.396 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.352 -4.237 5.838 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.435 -2.441 4.374 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.289 -3.972 4.067 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.014 -3.426 2.953 1.00 0.95 H new ATOM 211 N LEU A 14 -2.797 -3.735 3.723 1.00 0.58 N ATOM 212 CA LEU A 14 -4.120 -3.160 3.624 1.00 0.57 C ATOM 213 C LEU A 14 -4.992 -3.738 4.726 1.00 0.56 C ATOM 214 O LEU A 14 -5.723 -3.004 5.380 1.00 0.77 O ATOM 215 CB LEU A 14 -4.777 -3.352 2.233 1.00 0.59 C ATOM 216 CG LEU A 14 -4.283 -2.470 1.052 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.370 -0.995 1.379 1.00 1.09 C ATOM 218 CD2 LEU A 14 -2.890 -2.830 0.592 1.00 1.40 C ATOM 0 H LEU A 14 -2.543 -4.361 2.958 1.00 0.58 H new ATOM 0 HA LEU A 14 -4.021 -2.082 3.748 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -4.646 -4.395 1.945 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -5.848 -3.185 2.346 1.00 0.59 H new ATOM 0 HG LEU A 14 -4.959 -2.679 0.223 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -4.016 -0.412 0.529 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -5.405 -0.730 1.594 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.752 -0.778 2.250 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -2.600 -2.180 -0.234 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -2.190 -2.702 1.417 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -2.873 -3.868 0.260 1.00 1.40 H new ATOM 230 N VAL A 15 -4.848 -5.056 4.967 1.00 0.46 N ATOM 231 CA VAL A 15 -5.560 -5.754 6.055 1.00 0.49 C ATOM 232 C VAL A 15 -5.275 -5.059 7.390 1.00 0.52 C ATOM 233 O VAL A 15 -6.188 -4.791 8.151 1.00 0.66 O ATOM 234 CB VAL A 15 -5.146 -7.259 6.158 1.00 0.55 C ATOM 235 CG1 VAL A 15 -5.862 -7.951 7.316 1.00 0.67 C ATOM 236 CG2 VAL A 15 -5.447 -7.992 4.867 1.00 0.59 C ATOM 0 H VAL A 15 -4.240 -5.663 4.417 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.625 -5.714 5.827 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.072 -7.288 6.342 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -5.554 -8.996 7.362 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -5.604 -7.455 8.252 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -6.940 -7.897 7.162 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -5.150 -9.036 4.964 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -6.515 -7.936 4.658 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -4.892 -7.532 4.049 1.00 0.59 H new ATOM 246 N GLU A 16 -4.012 -4.739 7.634 1.00 0.48 N ATOM 247 CA GLU A 16 -3.587 -4.042 8.857 1.00 0.54 C ATOM 248 C GLU A 16 -4.298 -2.698 9.078 1.00 0.51 C ATOM 249 O GLU A 16 -4.472 -2.265 10.217 1.00 0.63 O ATOM 250 CB GLU A 16 -2.072 -3.843 8.857 1.00 0.64 C ATOM 251 CG GLU A 16 -1.307 -5.134 9.021 1.00 0.83 C ATOM 252 CD GLU A 16 -1.486 -5.743 10.391 1.00 1.12 C ATOM 253 OE1 GLU A 16 -2.566 -6.285 10.693 1.00 1.94 O ATOM 254 OE2 GLU A 16 -0.535 -5.698 11.189 1.00 1.14 O ATOM 0 H GLU A 16 -3.247 -4.952 6.994 1.00 0.48 H new ATOM 0 HA GLU A 16 -3.877 -4.684 9.689 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.774 -3.367 7.923 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.801 -3.162 9.663 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -1.637 -5.846 8.265 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -0.247 -4.949 8.845 1.00 0.83 H new ATOM 261 N SER A 17 -4.714 -2.067 8.004 1.00 0.49 N ATOM 262 CA SER A 17 -5.359 -0.768 8.074 1.00 0.58 C ATOM 263 C SER A 17 -6.894 -0.914 7.890 1.00 0.66 C ATOM 264 O SER A 17 -7.664 0.038 8.061 1.00 0.98 O ATOM 265 CB SER A 17 -4.740 0.134 6.985 1.00 0.62 C ATOM 266 OG SER A 17 -5.190 1.476 7.046 1.00 1.38 O ATOM 0 H SER A 17 -4.617 -2.435 7.058 1.00 0.49 H new ATOM 0 HA SER A 17 -5.198 -0.315 9.052 1.00 0.58 H new ATOM 0 HB2 SER A 17 -3.655 0.117 7.083 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.978 -0.277 6.004 1.00 0.62 H new ATOM 0 HG SER A 17 -4.674 2.023 6.417 1.00 1.38 H new ATOM 272 N ALA A 18 -7.334 -2.104 7.547 1.00 0.65 N ATOM 273 CA ALA A 18 -8.740 -2.345 7.308 1.00 0.88 C ATOM 274 C ALA A 18 -9.361 -3.116 8.438 1.00 0.85 C ATOM 275 O ALA A 18 -10.450 -2.792 8.902 1.00 1.04 O ATOM 276 CB ALA A 18 -8.939 -3.099 6.008 1.00 1.13 C ATOM 0 H ALA A 18 -6.737 -2.922 7.427 1.00 0.65 H new ATOM 0 HA ALA A 18 -9.232 -1.375 7.239 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -10.003 -3.271 5.846 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.536 -2.513 5.182 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.421 -4.057 6.060 1.00 1.13 H new ATOM 282 N GLY A 19 -8.670 -4.116 8.891 1.00 0.79 N ATOM 283 CA GLY A 19 -9.193 -4.972 9.890 1.00 0.97 C ATOM 284 C GLY A 19 -10.036 -6.024 9.259 1.00 1.18 C ATOM 285 O GLY A 19 -9.552 -7.110 8.945 1.00 1.57 O ATOM 0 H GLY A 19 -7.730 -4.355 8.574 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -8.379 -5.432 10.450 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -9.785 -4.397 10.602 1.00 0.97 H new ATOM 289 N GLU A 20 -11.277 -5.703 9.026 1.00 1.43 N ATOM 290 CA GLU A 20 -12.170 -6.607 8.378 1.00 1.75 C ATOM 291 C GLU A 20 -13.239 -5.801 7.665 1.00 1.79 C ATOM 292 O GLU A 20 -14.025 -5.102 8.299 1.00 2.30 O ATOM 293 CB GLU A 20 -12.807 -7.568 9.382 1.00 2.40 C ATOM 294 CG GLU A 20 -13.417 -8.789 8.730 1.00 3.14 C ATOM 295 CD GLU A 20 -12.363 -9.624 8.037 1.00 3.62 C ATOM 296 OE1 GLU A 20 -11.757 -10.489 8.698 1.00 3.97 O ATOM 297 OE2 GLU A 20 -12.090 -9.403 6.838 1.00 4.15 O ATOM 0 H GLU A 20 -11.693 -4.807 9.281 1.00 1.43 H new ATOM 0 HA GLU A 20 -11.614 -7.209 7.659 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -12.052 -7.886 10.101 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -13.578 -7.040 9.943 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -13.924 -9.391 9.483 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -14.172 -8.480 8.008 1.00 3.14 H new ATOM 304 N THR A 21 -13.224 -5.850 6.375 1.00 1.91 N ATOM 305 CA THR A 21 -14.176 -5.156 5.571 1.00 2.43 C ATOM 306 C THR A 21 -14.663 -6.100 4.473 1.00 2.45 C ATOM 307 O THR A 21 -14.131 -6.112 3.350 1.00 3.06 O ATOM 308 CB THR A 21 -13.539 -3.896 4.940 1.00 3.22 C ATOM 309 OG1 THR A 21 -12.907 -3.100 5.973 1.00 3.77 O ATOM 310 CG2 THR A 21 -14.599 -3.047 4.256 1.00 3.83 C ATOM 0 H THR A 21 -12.538 -6.382 5.840 1.00 1.91 H new ATOM 0 HA THR A 21 -15.014 -4.837 6.191 1.00 2.43 H new ATOM 0 HB THR A 21 -12.801 -4.217 4.204 1.00 3.22 H new ATOM 0 HG1 THR A 21 -12.503 -2.303 5.571 1.00 3.77 H new ATOM 0 HG21 THR A 21 -14.132 -2.165 3.818 1.00 3.83 H new ATOM 0 HG22 THR A 21 -15.081 -3.630 3.471 1.00 3.83 H new ATOM 0 HG23 THR A 21 -15.345 -2.737 4.988 1.00 3.83 H new ATOM 318 N ASP A 22 -15.590 -6.962 4.827 1.00 2.17 N ATOM 319 CA ASP A 22 -16.125 -7.916 3.876 1.00 2.48 C ATOM 320 C ASP A 22 -16.999 -7.200 2.875 1.00 2.10 C ATOM 321 O ASP A 22 -17.770 -6.293 3.223 1.00 2.55 O ATOM 322 CB ASP A 22 -16.870 -9.090 4.547 1.00 3.04 C ATOM 323 CG ASP A 22 -18.145 -8.707 5.266 1.00 3.67 C ATOM 324 OD1 ASP A 22 -18.073 -8.239 6.417 1.00 4.25 O ATOM 325 OD2 ASP A 22 -19.243 -8.920 4.706 1.00 3.96 O ATOM 0 H ASP A 22 -15.989 -7.024 5.763 1.00 2.17 H new ATOM 0 HA ASP A 22 -15.282 -8.369 3.355 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -17.108 -9.833 3.786 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -16.198 -9.568 5.259 1.00 3.04 H new ATOM 330 N GLY A 23 -16.827 -7.551 1.645 1.00 1.96 N ATOM 331 CA GLY A 23 -17.508 -6.904 0.559 1.00 2.00 C ATOM 332 C GLY A 23 -16.476 -6.308 -0.337 1.00 1.94 C ATOM 333 O GLY A 23 -16.683 -6.121 -1.528 1.00 2.20 O ATOM 0 H GLY A 23 -16.203 -8.304 1.355 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -18.121 -7.620 0.012 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -18.179 -6.132 0.935 1.00 2.00 H new ATOM 337 N THR A 24 -15.356 -6.033 0.256 1.00 1.83 N ATOM 338 CA THR A 24 -14.211 -5.532 -0.407 1.00 1.80 C ATOM 339 C THR A 24 -13.238 -6.695 -0.579 1.00 1.84 C ATOM 340 O THR A 24 -12.561 -7.096 0.378 1.00 1.90 O ATOM 341 CB THR A 24 -13.581 -4.426 0.464 1.00 1.83 C ATOM 342 OG1 THR A 24 -14.542 -3.365 0.646 1.00 1.96 O ATOM 343 CG2 THR A 24 -12.318 -3.865 -0.172 1.00 1.85 C ATOM 0 H THR A 24 -15.218 -6.160 1.259 1.00 1.83 H new ATOM 0 HA THR A 24 -14.461 -5.110 -1.380 1.00 1.80 H new ATOM 0 HB THR A 24 -13.307 -4.860 1.425 1.00 1.83 H new ATOM 0 HG1 THR A 24 -14.149 -2.659 1.200 1.00 1.96 H new ATOM 0 HG21 THR A 24 -11.902 -3.088 0.469 1.00 1.85 H new ATOM 0 HG22 THR A 24 -11.587 -4.664 -0.295 1.00 1.85 H new ATOM 0 HG23 THR A 24 -12.559 -3.440 -1.146 1.00 1.85 H new ATOM 351 N ASP A 25 -13.280 -7.322 -1.745 1.00 1.96 N ATOM 352 CA ASP A 25 -12.399 -8.448 -2.045 1.00 2.09 C ATOM 353 C ASP A 25 -10.961 -8.013 -2.109 1.00 1.62 C ATOM 354 O ASP A 25 -10.489 -7.510 -3.134 1.00 1.86 O ATOM 355 CB ASP A 25 -12.770 -9.179 -3.346 1.00 2.69 C ATOM 356 CG ASP A 25 -14.064 -9.936 -3.269 1.00 3.10 C ATOM 357 OD1 ASP A 25 -14.113 -10.973 -2.592 1.00 3.40 O ATOM 358 OD2 ASP A 25 -15.057 -9.536 -3.922 1.00 3.55 O ATOM 0 H ASP A 25 -13.915 -7.072 -2.503 1.00 1.96 H new ATOM 0 HA ASP A 25 -12.534 -9.151 -1.223 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -12.833 -8.451 -4.155 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -11.969 -9.872 -3.603 1.00 2.69 H new ATOM 363 N LEU A 26 -10.279 -8.165 -1.014 1.00 1.28 N ATOM 364 CA LEU A 26 -8.891 -7.827 -0.937 1.00 0.95 C ATOM 365 C LEU A 26 -8.089 -9.087 -1.229 1.00 1.02 C ATOM 366 O LEU A 26 -6.957 -9.034 -1.728 1.00 1.36 O ATOM 367 CB LEU A 26 -8.564 -7.265 0.447 1.00 1.16 C ATOM 368 CG LEU A 26 -7.177 -6.648 0.614 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.007 -5.455 -0.315 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.963 -6.234 2.052 1.00 1.05 C ATOM 0 H LEU A 26 -10.672 -8.528 -0.146 1.00 1.28 H new ATOM 0 HA LEU A 26 -8.638 -7.057 -1.666 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -9.308 -6.507 0.694 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -8.672 -8.067 1.177 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.429 -7.395 0.350 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -6.013 -5.029 -0.182 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -7.127 -5.779 -1.349 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -7.759 -4.702 -0.081 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -5.971 -5.795 2.161 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.717 -5.500 2.335 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -7.046 -7.108 2.698 1.00 1.05 H new ATOM 382 N SER A 27 -8.694 -10.220 -0.915 1.00 1.03 N ATOM 383 CA SER A 27 -8.136 -11.502 -1.231 1.00 1.23 C ATOM 384 C SER A 27 -8.255 -11.709 -2.746 1.00 1.39 C ATOM 385 O SER A 27 -9.368 -11.797 -3.292 1.00 2.16 O ATOM 386 CB SER A 27 -8.902 -12.587 -0.476 1.00 1.77 C ATOM 387 OG SER A 27 -8.988 -12.281 0.918 1.00 2.39 O ATOM 0 H SER A 27 -9.591 -10.265 -0.431 1.00 1.03 H new ATOM 0 HA SER A 27 -7.088 -11.555 -0.935 1.00 1.23 H new ATOM 0 HB2 SER A 27 -9.905 -12.685 -0.892 1.00 1.77 H new ATOM 0 HB3 SER A 27 -8.405 -13.548 -0.611 1.00 1.77 H new ATOM 0 HG SER A 27 -9.484 -12.990 1.378 1.00 2.39 H new ATOM 393 N GLY A 28 -7.131 -11.754 -3.405 1.00 1.32 N ATOM 394 CA GLY A 28 -7.102 -11.835 -4.835 1.00 1.62 C ATOM 395 C GLY A 28 -6.334 -10.662 -5.374 1.00 1.42 C ATOM 396 O GLY A 28 -5.642 -9.976 -4.609 1.00 1.77 O ATOM 0 H GLY A 28 -6.211 -11.735 -2.965 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -6.635 -12.768 -5.150 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -8.117 -11.836 -5.233 1.00 1.62 H new ATOM 400 N ASP A 29 -6.432 -10.405 -6.639 1.00 1.39 N ATOM 401 CA ASP A 29 -5.712 -9.286 -7.204 1.00 1.21 C ATOM 402 C ASP A 29 -6.549 -8.038 -7.048 1.00 0.96 C ATOM 403 O ASP A 29 -7.779 -8.072 -7.192 1.00 1.17 O ATOM 404 CB ASP A 29 -5.314 -9.518 -8.678 1.00 1.44 C ATOM 405 CG ASP A 29 -6.444 -9.380 -9.676 1.00 1.84 C ATOM 406 OD1 ASP A 29 -7.328 -10.257 -9.736 1.00 2.28 O ATOM 407 OD2 ASP A 29 -6.442 -8.397 -10.443 1.00 2.30 O ATOM 0 H ASP A 29 -6.993 -10.941 -7.301 1.00 1.39 H new ATOM 0 HA ASP A 29 -4.774 -9.170 -6.661 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -4.528 -8.810 -8.942 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -4.888 -10.517 -8.770 1.00 1.44 H new ATOM 412 N PHE A 30 -5.910 -6.964 -6.695 1.00 0.73 N ATOM 413 CA PHE A 30 -6.601 -5.719 -6.445 1.00 0.56 C ATOM 414 C PHE A 30 -5.736 -4.547 -6.872 1.00 0.46 C ATOM 415 O PHE A 30 -5.949 -3.443 -6.457 1.00 0.43 O ATOM 416 CB PHE A 30 -6.946 -5.614 -4.932 1.00 0.53 C ATOM 417 CG PHE A 30 -5.746 -5.642 -4.000 1.00 0.55 C ATOM 418 CD1 PHE A 30 -5.199 -6.850 -3.582 1.00 0.74 C ATOM 419 CD2 PHE A 30 -5.168 -4.467 -3.550 1.00 0.55 C ATOM 420 CE1 PHE A 30 -4.111 -6.879 -2.738 1.00 0.89 C ATOM 421 CE2 PHE A 30 -4.078 -4.492 -2.704 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.553 -5.690 -2.295 1.00 0.83 C ATOM 0 H PHE A 30 -4.899 -6.918 -6.570 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.524 -5.695 -7.024 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.498 -4.689 -4.763 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.612 -6.435 -4.668 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.633 -7.778 -3.924 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.576 -3.518 -3.865 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -3.694 -7.824 -2.423 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.638 -3.566 -2.364 1.00 0.68 H new ATOM 0 HZ PHE A 30 -2.704 -5.708 -1.627 1.00 0.83 H new ATOM 432 N LEU A 31 -4.813 -4.788 -7.766 1.00 0.49 N ATOM 433 CA LEU A 31 -3.831 -3.772 -8.113 1.00 0.49 C ATOM 434 C LEU A 31 -4.375 -2.793 -9.142 1.00 0.49 C ATOM 435 O LEU A 31 -3.901 -1.655 -9.236 1.00 0.58 O ATOM 436 CB LEU A 31 -2.527 -4.389 -8.668 1.00 0.59 C ATOM 437 CG LEU A 31 -1.792 -5.455 -7.837 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.597 -5.033 -6.391 1.00 1.08 C ATOM 439 CD2 LEU A 31 -2.455 -6.817 -7.952 1.00 1.85 C ATOM 0 H LEU A 31 -4.713 -5.670 -8.269 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.611 -3.244 -7.185 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.759 -4.830 -9.638 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -1.828 -3.573 -8.848 1.00 0.59 H new ATOM 0 HG LEU A 31 -0.794 -5.549 -8.264 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -1.074 -5.821 -5.849 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.009 -4.116 -6.356 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -2.569 -4.859 -5.929 1.00 1.08 H new ATOM 0 HD21 LEU A 31 -1.905 -7.541 -7.351 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -3.482 -6.753 -7.594 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -2.454 -7.136 -8.994 1.00 1.85 H new ATOM 451 N ASP A 32 -5.361 -3.229 -9.901 1.00 0.49 N ATOM 452 CA ASP A 32 -5.872 -2.426 -11.008 1.00 0.67 C ATOM 453 C ASP A 32 -7.080 -1.610 -10.595 1.00 0.57 C ATOM 454 O ASP A 32 -7.368 -0.571 -11.190 1.00 0.74 O ATOM 455 CB ASP A 32 -6.249 -3.344 -12.169 1.00 0.94 C ATOM 456 CG ASP A 32 -6.411 -2.611 -13.476 1.00 1.76 C ATOM 457 OD1 ASP A 32 -5.427 -2.452 -14.229 1.00 2.55 O ATOM 458 OD2 ASP A 32 -7.543 -2.131 -13.749 1.00 2.27 O ATOM 0 H ASP A 32 -5.826 -4.129 -9.777 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.088 -1.734 -11.314 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -5.482 -4.110 -12.282 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -7.180 -3.858 -11.930 1.00 0.94 H new ATOM 463 N LEU A 33 -7.758 -2.060 -9.557 1.00 0.51 N ATOM 464 CA LEU A 33 -8.984 -1.419 -9.108 1.00 0.60 C ATOM 465 C LEU A 33 -8.739 -0.079 -8.395 1.00 0.50 C ATOM 466 O LEU A 33 -7.604 0.340 -8.197 1.00 0.60 O ATOM 467 CB LEU A 33 -9.871 -2.396 -8.286 1.00 0.85 C ATOM 468 CG LEU A 33 -9.230 -3.140 -7.092 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.849 -2.200 -5.958 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.157 -4.231 -6.588 1.00 1.12 C ATOM 0 H LEU A 33 -7.481 -2.871 -9.005 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.549 -1.160 -10.003 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.724 -1.832 -7.907 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.264 -3.146 -8.973 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.307 -3.593 -7.455 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.403 -2.773 -5.145 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.130 -1.465 -6.321 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.740 -1.688 -5.595 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -9.691 -4.745 -5.747 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.099 -3.788 -6.265 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.348 -4.945 -7.389 1.00 1.12 H new ATOM 482 N ARG A 34 -9.803 0.579 -8.023 1.00 0.50 N ATOM 483 CA ARG A 34 -9.709 1.882 -7.402 1.00 0.51 C ATOM 484 C ARG A 34 -9.876 1.812 -5.900 1.00 0.47 C ATOM 485 O ARG A 34 -10.598 0.965 -5.387 1.00 0.58 O ATOM 486 CB ARG A 34 -10.747 2.818 -8.011 1.00 0.67 C ATOM 487 CG ARG A 34 -10.544 3.014 -9.493 1.00 0.85 C ATOM 488 CD ARG A 34 -9.155 3.534 -9.745 1.00 0.93 C ATOM 489 NE ARG A 34 -8.795 3.593 -11.154 1.00 1.72 N ATOM 490 CZ ARG A 34 -7.889 4.447 -11.618 1.00 2.04 C ATOM 491 NH1 ARG A 34 -7.385 5.357 -10.794 1.00 1.66 N ATOM 492 NH2 ARG A 34 -7.502 4.412 -12.884 1.00 3.07 N ATOM 0 H ARG A 34 -10.756 0.234 -8.139 1.00 0.50 H new ATOM 0 HA ARG A 34 -8.709 2.271 -7.594 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -11.744 2.415 -7.834 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -10.700 3.785 -7.509 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -10.692 2.071 -10.019 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -11.282 3.715 -9.882 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -9.068 4.532 -9.315 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -8.439 2.899 -9.223 1.00 0.93 H new ATOM 0 HE ARG A 34 -9.253 2.958 -11.807 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -7.694 5.392 -9.823 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -6.688 6.021 -11.132 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -7.901 3.722 -13.520 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -6.805 5.075 -13.223 1.00 3.07 H new ATOM 506 N PHE A 35 -9.233 2.734 -5.195 1.00 0.42 N ATOM 507 CA PHE A 35 -9.331 2.796 -3.742 1.00 0.42 C ATOM 508 C PHE A 35 -10.695 3.283 -3.340 1.00 0.53 C ATOM 509 O PHE A 35 -11.247 2.849 -2.348 1.00 0.61 O ATOM 510 CB PHE A 35 -8.263 3.702 -3.134 1.00 0.41 C ATOM 511 CG PHE A 35 -6.872 3.201 -3.306 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.456 2.053 -2.658 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.978 3.869 -4.113 1.00 0.44 C ATOM 514 CE1 PHE A 35 -5.173 1.588 -2.808 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.698 3.411 -4.263 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.292 2.270 -3.611 1.00 0.53 C ATOM 0 H PHE A 35 -8.636 3.451 -5.607 1.00 0.42 H new ATOM 0 HA PHE A 35 -9.169 1.788 -3.360 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -8.340 4.691 -3.586 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.466 3.821 -2.070 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -7.148 1.516 -2.027 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -6.291 4.763 -4.632 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.858 0.690 -2.297 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -4.005 3.946 -4.895 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.281 1.910 -3.730 1.00 0.53 H new ATOM 526 N GLU A 36 -11.235 4.168 -4.142 1.00 0.64 N ATOM 527 CA GLU A 36 -12.571 4.711 -3.944 1.00 0.83 C ATOM 528 C GLU A 36 -13.578 3.562 -4.018 1.00 0.92 C ATOM 529 O GLU A 36 -14.556 3.506 -3.280 1.00 1.05 O ATOM 530 CB GLU A 36 -12.919 5.748 -5.040 1.00 1.00 C ATOM 531 CG GLU A 36 -11.803 6.730 -5.429 1.00 1.56 C ATOM 532 CD GLU A 36 -10.767 6.107 -6.354 1.00 2.05 C ATOM 533 OE1 GLU A 36 -10.989 6.084 -7.563 1.00 2.39 O ATOM 534 OE2 GLU A 36 -9.723 5.595 -5.869 1.00 2.77 O ATOM 0 H GLU A 36 -10.759 4.541 -4.963 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.609 5.205 -2.973 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -13.227 5.208 -5.936 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -13.780 6.325 -4.703 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -12.244 7.599 -5.917 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -11.309 7.088 -4.526 1.00 1.56 H new ATOM 541 N ASP A 37 -13.272 2.620 -4.884 1.00 0.92 N ATOM 542 CA ASP A 37 -14.107 1.457 -5.113 1.00 1.07 C ATOM 543 C ASP A 37 -14.035 0.507 -3.920 1.00 1.02 C ATOM 544 O ASP A 37 -15.036 -0.085 -3.512 1.00 1.20 O ATOM 545 CB ASP A 37 -13.643 0.738 -6.380 1.00 1.17 C ATOM 546 CG ASP A 37 -14.496 -0.448 -6.732 1.00 1.39 C ATOM 547 OD1 ASP A 37 -14.279 -1.526 -6.201 1.00 1.99 O ATOM 548 OD2 ASP A 37 -15.403 -0.302 -7.574 1.00 1.64 O ATOM 0 H ASP A 37 -12.428 2.639 -5.456 1.00 0.92 H new ATOM 0 HA ASP A 37 -15.140 1.781 -5.236 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -13.649 1.442 -7.212 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -12.612 0.410 -6.247 1.00 1.17 H new ATOM 553 N ILE A 38 -12.857 0.394 -3.340 1.00 0.85 N ATOM 554 CA ILE A 38 -12.659 -0.502 -2.212 1.00 0.88 C ATOM 555 C ILE A 38 -12.783 0.202 -0.870 1.00 0.84 C ATOM 556 O ILE A 38 -12.400 -0.338 0.166 1.00 0.91 O ATOM 557 CB ILE A 38 -11.333 -1.294 -2.290 1.00 0.85 C ATOM 558 CG1 ILE A 38 -10.121 -0.350 -2.374 1.00 0.66 C ATOM 559 CG2 ILE A 38 -11.380 -2.236 -3.474 1.00 0.97 C ATOM 560 CD1 ILE A 38 -8.776 -1.053 -2.383 1.00 0.68 C ATOM 0 H ILE A 38 -12.024 0.908 -3.627 1.00 0.85 H new ATOM 0 HA ILE A 38 -13.473 -1.223 -2.284 1.00 0.88 H new ATOM 0 HB ILE A 38 -11.216 -1.878 -1.377 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -10.208 0.253 -3.278 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -10.152 0.337 -1.528 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -10.446 -2.795 -3.531 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -12.212 -2.930 -3.354 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.516 -1.662 -4.391 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -7.979 -0.312 -2.444 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -8.663 -1.633 -1.467 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -8.719 -1.719 -3.244 1.00 0.68 H new ATOM 572 N GLY A 39 -13.391 1.371 -0.892 1.00 0.81 N ATOM 573 CA GLY A 39 -13.641 2.132 0.329 1.00 0.82 C ATOM 574 C GLY A 39 -12.370 2.521 1.073 1.00 0.71 C ATOM 575 O GLY A 39 -12.234 2.258 2.272 1.00 0.82 O ATOM 0 H GLY A 39 -13.725 1.822 -1.744 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -14.196 3.036 0.077 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.275 1.543 0.992 1.00 0.82 H new ATOM 579 N TYR A 40 -11.437 3.094 0.367 1.00 0.56 N ATOM 580 CA TYR A 40 -10.197 3.555 0.948 1.00 0.48 C ATOM 581 C TYR A 40 -9.950 5.012 0.650 1.00 0.43 C ATOM 582 O TYR A 40 -10.160 5.472 -0.484 1.00 0.50 O ATOM 583 CB TYR A 40 -9.001 2.747 0.424 1.00 0.51 C ATOM 584 CG TYR A 40 -8.670 1.490 1.188 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.418 0.333 1.055 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.580 1.470 2.038 1.00 0.60 C ATOM 587 CE1 TYR A 40 -9.089 -0.811 1.754 1.00 0.83 C ATOM 588 CE2 TYR A 40 -7.238 0.337 2.736 1.00 0.79 C ATOM 589 CZ TYR A 40 -7.996 -0.804 2.592 1.00 0.88 C ATOM 590 OH TYR A 40 -7.655 -1.939 3.281 1.00 1.13 O ATOM 0 H TYR A 40 -11.511 3.258 -0.637 1.00 0.56 H new ATOM 0 HA TYR A 40 -10.294 3.416 2.025 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.196 2.477 -0.614 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -8.122 3.392 0.426 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -10.272 0.325 0.394 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.985 2.364 2.156 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -9.685 -1.705 1.645 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.381 0.341 3.393 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.889 -1.751 3.862 1.00 1.13 H new ATOM 600 N ASP A 41 -9.552 5.733 1.663 1.00 0.49 N ATOM 601 CA ASP A 41 -9.058 7.090 1.515 1.00 0.54 C ATOM 602 C ASP A 41 -7.570 7.071 1.735 1.00 0.52 C ATOM 603 O ASP A 41 -7.005 6.034 2.138 1.00 0.88 O ATOM 604 CB ASP A 41 -9.689 8.083 2.528 1.00 0.71 C ATOM 605 CG ASP A 41 -10.953 8.767 2.046 1.00 1.05 C ATOM 606 OD1 ASP A 41 -10.853 9.829 1.363 1.00 1.48 O ATOM 607 OD2 ASP A 41 -12.057 8.304 2.373 1.00 1.35 O ATOM 0 H ASP A 41 -9.559 5.399 2.627 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.327 7.432 0.515 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -9.912 7.546 3.450 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -8.951 8.846 2.774 1.00 0.71 H new ATOM 612 N SER A 42 -6.952 8.208 1.522 1.00 0.39 N ATOM 613 CA SER A 42 -5.530 8.430 1.727 1.00 0.48 C ATOM 614 C SER A 42 -5.154 8.055 3.159 1.00 0.42 C ATOM 615 O SER A 42 -4.088 7.512 3.418 1.00 0.43 O ATOM 616 CB SER A 42 -5.278 9.909 1.513 1.00 0.71 C ATOM 617 OG SER A 42 -6.202 10.641 2.384 1.00 0.98 O ATOM 0 H SER A 42 -7.440 9.039 1.188 1.00 0.39 H new ATOM 0 HA SER A 42 -4.938 7.825 1.041 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.245 10.161 1.752 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.439 10.179 0.469 1.00 0.71 H new ATOM 0 HG SER A 42 -6.064 11.605 2.271 1.00 0.98 H new ATOM 622 N LEU A 43 -6.088 8.347 4.060 1.00 0.46 N ATOM 623 CA LEU A 43 -5.996 8.084 5.486 1.00 0.52 C ATOM 624 C LEU A 43 -5.510 6.671 5.766 1.00 0.45 C ATOM 625 O LEU A 43 -4.479 6.471 6.420 1.00 0.53 O ATOM 626 CB LEU A 43 -7.368 8.275 6.114 1.00 0.66 C ATOM 627 CG LEU A 43 -8.027 9.637 5.916 1.00 0.83 C ATOM 628 CD1 LEU A 43 -9.393 9.643 6.562 1.00 1.02 C ATOM 629 CD2 LEU A 43 -7.161 10.750 6.487 1.00 0.97 C ATOM 0 H LEU A 43 -6.968 8.793 3.800 1.00 0.46 H new ATOM 0 HA LEU A 43 -5.275 8.780 5.915 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -8.035 7.512 5.713 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -7.281 8.091 7.185 1.00 0.66 H new ATOM 0 HG LEU A 43 -8.138 9.817 4.847 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -9.859 10.618 6.418 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -10.014 8.872 6.106 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -9.292 9.443 7.629 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -7.654 11.710 6.333 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -7.014 10.585 7.554 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -6.194 10.753 5.984 1.00 0.97 H new ATOM 641 N ALA A 44 -6.220 5.709 5.222 1.00 0.40 N ATOM 642 CA ALA A 44 -5.914 4.318 5.427 1.00 0.39 C ATOM 643 C ALA A 44 -4.624 3.941 4.728 1.00 0.34 C ATOM 644 O ALA A 44 -3.805 3.206 5.282 1.00 0.38 O ATOM 645 CB ALA A 44 -7.059 3.451 4.938 1.00 0.43 C ATOM 0 H ALA A 44 -7.029 5.874 4.623 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.780 4.149 6.496 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.815 2.401 5.099 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.966 3.701 5.489 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.220 3.627 3.874 1.00 0.43 H new ATOM 651 N LEU A 45 -4.422 4.502 3.547 1.00 0.31 N ATOM 652 CA LEU A 45 -3.261 4.199 2.716 1.00 0.30 C ATOM 653 C LEU A 45 -1.962 4.631 3.398 1.00 0.29 C ATOM 654 O LEU A 45 -0.959 3.906 3.381 1.00 0.30 O ATOM 655 CB LEU A 45 -3.397 4.893 1.363 1.00 0.32 C ATOM 656 CG LEU A 45 -4.638 4.526 0.559 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.684 5.304 -0.742 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.670 3.034 0.293 1.00 0.36 C ATOM 0 H LEU A 45 -5.059 5.183 3.133 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.221 3.120 2.569 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.396 5.971 1.526 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.516 4.660 0.765 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.519 4.792 1.143 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.578 5.027 -1.300 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.708 6.372 -0.526 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.799 5.073 -1.335 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.562 2.786 -0.282 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.783 2.746 -0.271 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.688 2.496 1.241 1.00 0.36 H new ATOM 670 N MET A 46 -1.993 5.804 4.011 1.00 0.30 N ATOM 671 CA MET A 46 -0.838 6.345 4.733 1.00 0.31 C ATOM 672 C MET A 46 -0.459 5.441 5.898 1.00 0.33 C ATOM 673 O MET A 46 0.725 5.270 6.220 1.00 0.37 O ATOM 674 CB MET A 46 -1.120 7.769 5.238 1.00 0.37 C ATOM 675 CG MET A 46 -1.312 8.815 4.142 1.00 0.40 C ATOM 676 SD MET A 46 -1.733 10.455 4.784 1.00 0.54 S ATOM 677 CE MET A 46 -3.292 10.117 5.585 1.00 1.67 C ATOM 0 H MET A 46 -2.813 6.410 4.026 1.00 0.30 H new ATOM 0 HA MET A 46 -0.001 6.387 4.036 1.00 0.31 H new ATOM 0 HB2 MET A 46 -2.015 7.747 5.860 1.00 0.37 H new ATOM 0 HB3 MET A 46 -0.295 8.082 5.878 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.397 8.887 3.553 1.00 0.40 H new ATOM 0 HG3 MET A 46 -2.101 8.483 3.467 1.00 0.40 H new ATOM 0 HE1 MET A 46 -4.024 10.867 5.287 1.00 1.67 H new ATOM 0 HE2 MET A 46 -3.645 9.129 5.291 1.00 1.67 H new ATOM 0 HE3 MET A 46 -3.160 10.148 6.666 1.00 1.67 H new ATOM 687 N GLU A 47 -1.460 4.834 6.500 1.00 0.36 N ATOM 688 CA GLU A 47 -1.251 3.947 7.624 1.00 0.42 C ATOM 689 C GLU A 47 -0.654 2.620 7.124 1.00 0.43 C ATOM 690 O GLU A 47 0.277 2.070 7.730 1.00 0.52 O ATOM 691 CB GLU A 47 -2.571 3.722 8.346 1.00 0.45 C ATOM 692 CG GLU A 47 -2.433 3.010 9.672 1.00 0.62 C ATOM 693 CD GLU A 47 -3.752 2.804 10.352 1.00 1.07 C ATOM 694 OE1 GLU A 47 -4.305 3.773 10.880 1.00 1.29 O ATOM 695 OE2 GLU A 47 -4.275 1.660 10.340 1.00 1.97 O ATOM 0 H GLU A 47 -2.437 4.941 6.226 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.550 4.394 8.329 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -3.052 4.686 8.511 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.232 3.143 7.701 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -1.954 2.044 9.514 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.778 3.587 10.324 1.00 0.62 H new ATOM 702 N THR A 48 -1.189 2.141 6.003 1.00 0.39 N ATOM 703 CA THR A 48 -0.708 0.957 5.303 1.00 0.44 C ATOM 704 C THR A 48 0.799 1.090 5.000 1.00 0.45 C ATOM 705 O THR A 48 1.594 0.199 5.342 1.00 0.56 O ATOM 706 CB THR A 48 -1.508 0.819 3.980 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.885 0.595 4.284 1.00 0.49 O ATOM 708 CG2 THR A 48 -0.990 -0.312 3.105 1.00 0.53 C ATOM 0 H THR A 48 -1.989 2.578 5.547 1.00 0.39 H new ATOM 0 HA THR A 48 -0.851 0.073 5.924 1.00 0.44 H new ATOM 0 HB THR A 48 -1.384 1.746 3.420 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.290 1.430 4.600 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.583 -0.367 2.192 1.00 0.53 H new ATOM 0 HG22 THR A 48 0.053 -0.126 2.850 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.068 -1.255 3.645 1.00 0.53 H new ATOM 716 N ALA A 49 1.170 2.203 4.375 1.00 0.37 N ATOM 717 CA ALA A 49 2.551 2.479 4.007 1.00 0.38 C ATOM 718 C ALA A 49 3.479 2.410 5.221 1.00 0.43 C ATOM 719 O ALA A 49 4.483 1.694 5.199 1.00 0.45 O ATOM 720 CB ALA A 49 2.647 3.839 3.334 1.00 0.36 C ATOM 0 H ALA A 49 0.517 2.941 4.109 1.00 0.37 H new ATOM 0 HA ALA A 49 2.876 1.711 3.304 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.684 4.038 3.062 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.029 3.845 2.436 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.298 4.610 4.021 1.00 0.36 H new ATOM 726 N ALA A 50 3.099 3.097 6.293 1.00 0.47 N ATOM 727 CA ALA A 50 3.908 3.143 7.513 1.00 0.57 C ATOM 728 C ALA A 50 3.983 1.777 8.196 1.00 0.62 C ATOM 729 O ALA A 50 4.980 1.443 8.841 1.00 0.68 O ATOM 730 CB ALA A 50 3.372 4.191 8.468 1.00 0.65 C ATOM 0 H ALA A 50 2.233 3.633 6.345 1.00 0.47 H new ATOM 0 HA ALA A 50 4.922 3.419 7.225 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.986 4.211 9.369 1.00 0.65 H new ATOM 0 HB2 ALA A 50 3.401 5.169 7.988 1.00 0.65 H new ATOM 0 HB3 ALA A 50 2.344 3.948 8.735 1.00 0.65 H new ATOM 736 N ARG A 51 2.939 0.982 8.022 1.00 0.65 N ATOM 737 CA ARG A 51 2.871 -0.351 8.597 1.00 0.76 C ATOM 738 C ARG A 51 3.943 -1.235 7.958 1.00 0.64 C ATOM 739 O ARG A 51 4.633 -2.005 8.641 1.00 0.62 O ATOM 740 CB ARG A 51 1.476 -0.950 8.357 1.00 0.95 C ATOM 741 CG ARG A 51 1.179 -2.226 9.124 1.00 1.23 C ATOM 742 CD ARG A 51 1.196 -1.967 10.617 1.00 0.90 C ATOM 743 NE ARG A 51 0.703 -3.101 11.399 1.00 1.76 N ATOM 744 CZ ARG A 51 0.443 -3.063 12.713 1.00 2.17 C ATOM 745 NH1 ARG A 51 0.677 -1.955 13.411 1.00 2.08 N ATOM 746 NH2 ARG A 51 -0.079 -4.122 13.298 1.00 3.21 N ATOM 0 H ARG A 51 2.116 1.243 7.479 1.00 0.65 H new ATOM 0 HA ARG A 51 3.048 -0.295 9.671 1.00 0.76 H new ATOM 0 HB2 ARG A 51 0.727 -0.203 8.622 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.363 -1.151 7.292 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.205 -2.616 8.828 1.00 1.23 H new ATOM 0 HG3 ARG A 51 1.917 -2.988 8.873 1.00 1.23 H new ATOM 0 HD2 ARG A 51 2.214 -1.733 10.928 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.587 -1.090 10.835 1.00 0.90 H new ATOM 0 HE ARG A 51 0.546 -3.982 10.910 1.00 1.76 H new ATOM 0 HH11 ARG A 51 1.056 -1.130 12.946 1.00 2.08 H new ATOM 0 HH12 ARG A 51 0.478 -1.931 14.411 1.00 2.08 H new ATOM 0 HH21 ARG A 51 -0.281 -4.959 12.751 1.00 3.21 H new ATOM 0 HH22 ARG A 51 -0.281 -4.105 14.298 1.00 3.21 H new ATOM 760 N LEU A 52 4.080 -1.116 6.649 1.00 0.60 N ATOM 761 CA LEU A 52 5.088 -1.872 5.922 1.00 0.55 C ATOM 762 C LEU A 52 6.501 -1.363 6.141 1.00 0.46 C ATOM 763 O LEU A 52 7.451 -2.152 6.054 1.00 0.45 O ATOM 764 CB LEU A 52 4.778 -1.988 4.435 1.00 0.61 C ATOM 765 CG LEU A 52 3.597 -2.882 4.081 1.00 0.76 C ATOM 766 CD1 LEU A 52 3.440 -2.997 2.579 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.748 -4.268 4.713 1.00 0.93 C ATOM 0 H LEU A 52 3.507 -0.504 6.067 1.00 0.60 H new ATOM 0 HA LEU A 52 5.044 -2.874 6.349 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.586 -0.989 4.042 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.664 -2.366 3.925 1.00 0.61 H new ATOM 0 HG LEU A 52 2.696 -2.421 4.486 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.590 -3.640 2.350 1.00 0.87 H new ATOM 0 HD12 LEU A 52 3.271 -2.008 2.154 1.00 0.87 H new ATOM 0 HD13 LEU A 52 4.346 -3.426 2.150 1.00 0.87 H new ATOM 0 HD21 LEU A 52 2.891 -4.886 4.444 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.662 -4.737 4.348 1.00 0.93 H new ATOM 0 HD23 LEU A 52 3.799 -4.170 5.797 1.00 0.93 H new ATOM 779 N GLU A 53 6.660 -0.068 6.436 1.00 0.45 N ATOM 780 CA GLU A 53 7.987 0.500 6.718 1.00 0.44 C ATOM 781 C GLU A 53 8.680 -0.301 7.804 1.00 0.46 C ATOM 782 O GLU A 53 9.844 -0.673 7.667 1.00 0.50 O ATOM 783 CB GLU A 53 7.911 1.947 7.173 1.00 0.52 C ATOM 784 CG GLU A 53 7.332 2.913 6.176 1.00 0.44 C ATOM 785 CD GLU A 53 7.438 4.316 6.684 1.00 0.45 C ATOM 786 OE1 GLU A 53 6.525 4.756 7.398 1.00 0.57 O ATOM 787 OE2 GLU A 53 8.393 5.022 6.340 1.00 0.45 O ATOM 0 H GLU A 53 5.894 0.604 6.486 1.00 0.45 H new ATOM 0 HA GLU A 53 8.548 0.456 5.785 1.00 0.44 H new ATOM 0 HB2 GLU A 53 7.314 1.992 8.084 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.916 2.280 7.434 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.858 2.823 5.226 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.287 2.667 5.986 1.00 0.44 H new ATOM 794 N SER A 54 7.918 -0.613 8.835 1.00 0.49 N ATOM 795 CA SER A 54 8.367 -1.377 9.979 1.00 0.56 C ATOM 796 C SER A 54 8.901 -2.767 9.566 1.00 0.55 C ATOM 797 O SER A 54 9.862 -3.274 10.137 1.00 0.67 O ATOM 798 CB SER A 54 7.192 -1.517 10.971 1.00 0.67 C ATOM 799 OG SER A 54 7.537 -2.285 12.111 1.00 1.36 O ATOM 0 H SER A 54 6.940 -0.332 8.900 1.00 0.49 H new ATOM 0 HA SER A 54 9.195 -0.850 10.453 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.868 -0.526 11.288 1.00 0.67 H new ATOM 0 HB3 SER A 54 6.346 -1.982 10.465 1.00 0.67 H new ATOM 0 HG SER A 54 6.764 -2.345 12.711 1.00 1.36 H new ATOM 805 N ARG A 55 8.322 -3.342 8.536 1.00 0.52 N ATOM 806 CA ARG A 55 8.673 -4.687 8.137 1.00 0.57 C ATOM 807 C ARG A 55 9.867 -4.707 7.184 1.00 0.54 C ATOM 808 O ARG A 55 10.711 -5.603 7.247 1.00 0.65 O ATOM 809 CB ARG A 55 7.478 -5.363 7.469 1.00 0.67 C ATOM 810 CG ARG A 55 7.703 -6.826 7.142 1.00 0.77 C ATOM 811 CD ARG A 55 6.516 -7.425 6.429 1.00 0.96 C ATOM 812 NE ARG A 55 6.706 -8.851 6.175 1.00 1.60 N ATOM 813 CZ ARG A 55 6.320 -9.498 5.075 1.00 2.10 C ATOM 814 NH1 ARG A 55 5.825 -8.840 4.043 1.00 1.89 N ATOM 815 NH2 ARG A 55 6.482 -10.801 4.987 1.00 3.10 N ATOM 0 H ARG A 55 7.606 -2.900 7.959 1.00 0.52 H new ATOM 0 HA ARG A 55 8.953 -5.231 9.039 1.00 0.57 H new ATOM 0 HB2 ARG A 55 6.611 -5.277 8.124 1.00 0.67 H new ATOM 0 HB3 ARG A 55 7.238 -4.828 6.550 1.00 0.67 H new ATOM 0 HG2 ARG A 55 8.592 -6.928 6.519 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.893 -7.380 8.061 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.618 -7.278 7.029 1.00 0.96 H new ATOM 0 HD3 ARG A 55 6.357 -6.904 5.485 1.00 0.96 H new ATOM 0 HE ARG A 55 7.173 -9.397 6.899 1.00 1.60 H new ATOM 0 HH11 ARG A 55 5.734 -7.825 4.081 1.00 1.89 H new ATOM 0 HH12 ARG A 55 5.533 -9.347 3.207 1.00 1.89 H new ATOM 0 HH21 ARG A 55 6.903 -11.316 5.760 1.00 3.10 H new ATOM 0 HH22 ARG A 55 6.187 -11.296 4.145 1.00 3.10 H new ATOM 829 N TYR A 56 9.941 -3.734 6.307 1.00 0.50 N ATOM 830 CA TYR A 56 10.963 -3.757 5.270 1.00 0.57 C ATOM 831 C TYR A 56 12.151 -2.867 5.581 1.00 0.59 C ATOM 832 O TYR A 56 13.201 -2.992 4.952 1.00 0.73 O ATOM 833 CB TYR A 56 10.370 -3.375 3.916 1.00 0.65 C ATOM 834 CG TYR A 56 9.212 -4.242 3.487 1.00 0.72 C ATOM 835 CD1 TYR A 56 9.408 -5.542 3.039 1.00 0.89 C ATOM 836 CD2 TYR A 56 7.925 -3.768 3.553 1.00 0.76 C ATOM 837 CE1 TYR A 56 8.336 -6.330 2.669 1.00 1.03 C ATOM 838 CE2 TYR A 56 6.864 -4.544 3.196 1.00 0.91 C ATOM 839 CZ TYR A 56 7.065 -5.815 2.756 1.00 1.03 C ATOM 840 OH TYR A 56 5.981 -6.582 2.418 1.00 1.21 O ATOM 0 H TYR A 56 9.320 -2.925 6.284 1.00 0.50 H new ATOM 0 HA TYR A 56 11.332 -4.782 5.234 1.00 0.57 H new ATOM 0 HB2 TYR A 56 10.039 -2.337 3.956 1.00 0.65 H new ATOM 0 HB3 TYR A 56 11.152 -3.431 3.159 1.00 0.65 H new ATOM 0 HD1 TYR A 56 10.410 -5.941 2.979 1.00 0.89 H new ATOM 0 HD2 TYR A 56 7.750 -2.759 3.895 1.00 0.76 H new ATOM 0 HE1 TYR A 56 8.495 -7.338 2.316 1.00 1.03 H new ATOM 0 HE2 TYR A 56 5.861 -4.149 3.263 1.00 0.91 H new ATOM 0 HH TYR A 56 5.160 -6.060 2.540 1.00 1.21 H new ATOM 850 N GLY A 57 11.998 -1.973 6.529 1.00 0.52 N ATOM 851 CA GLY A 57 13.068 -1.050 6.830 1.00 0.56 C ATOM 852 C GLY A 57 13.197 -0.026 5.726 1.00 0.54 C ATOM 853 O GLY A 57 14.297 0.266 5.242 1.00 0.68 O ATOM 0 H GLY A 57 11.158 -1.865 7.097 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.872 -0.550 7.779 1.00 0.56 H new ATOM 0 HA3 GLY A 57 14.006 -1.593 6.944 1.00 0.56 H new ATOM 857 N VAL A 58 12.062 0.484 5.303 1.00 0.47 N ATOM 858 CA VAL A 58 11.998 1.468 4.239 1.00 0.44 C ATOM 859 C VAL A 58 11.525 2.791 4.799 1.00 0.42 C ATOM 860 O VAL A 58 11.197 2.871 5.980 1.00 0.44 O ATOM 861 CB VAL A 58 11.094 1.027 3.047 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.641 -0.231 2.397 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.648 0.803 3.495 1.00 0.43 C ATOM 0 H VAL A 58 11.152 0.229 5.687 1.00 0.47 H new ATOM 0 HA VAL A 58 13.005 1.571 3.836 1.00 0.44 H new ATOM 0 HB VAL A 58 11.100 1.834 2.314 1.00 0.46 H new ATOM 0 HG11 VAL A 58 10.996 -0.522 1.568 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.647 -0.040 2.024 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.673 -1.036 3.132 1.00 0.55 H new ATOM 0 HG21 VAL A 58 9.045 0.497 2.640 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.620 0.024 4.257 1.00 0.43 H new ATOM 0 HG23 VAL A 58 9.247 1.729 3.908 1.00 0.43 H new ATOM 873 N SER A 59 11.488 3.814 3.994 1.00 0.43 N ATOM 874 CA SER A 59 11.035 5.089 4.452 1.00 0.48 C ATOM 875 C SER A 59 10.081 5.701 3.450 1.00 0.43 C ATOM 876 O SER A 59 10.471 6.138 2.364 1.00 0.49 O ATOM 877 CB SER A 59 12.229 5.988 4.736 1.00 0.65 C ATOM 878 OG SER A 59 13.087 5.348 5.680 1.00 1.28 O ATOM 0 H SER A 59 11.768 3.786 3.014 1.00 0.43 H new ATOM 0 HA SER A 59 10.483 4.969 5.384 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.772 6.192 3.814 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.891 6.948 5.127 1.00 0.65 H new ATOM 0 HG SER A 59 13.858 5.924 5.864 1.00 1.28 H new ATOM 884 N ILE A 60 8.836 5.676 3.799 1.00 0.39 N ATOM 885 CA ILE A 60 7.793 6.186 2.964 1.00 0.38 C ATOM 886 C ILE A 60 7.233 7.437 3.605 1.00 0.41 C ATOM 887 O ILE A 60 6.697 7.376 4.718 1.00 0.45 O ATOM 888 CB ILE A 60 6.656 5.141 2.782 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.220 3.838 2.187 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.553 5.707 1.884 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.211 2.713 2.082 1.00 0.82 C ATOM 0 H ILE A 60 8.508 5.295 4.686 1.00 0.39 H new ATOM 0 HA ILE A 60 8.204 6.409 1.980 1.00 0.38 H new ATOM 0 HB ILE A 60 6.226 4.918 3.758 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.617 4.048 1.194 1.00 0.45 H new ATOM 0 HG13 ILE A 60 8.056 3.504 2.801 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.764 4.965 1.765 1.00 0.38 H new ATOM 0 HG22 ILE A 60 5.139 6.607 2.339 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.970 5.953 0.907 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.690 1.833 1.653 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.831 2.472 3.075 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.385 3.024 1.443 1.00 0.82 H new ATOM 903 N PRO A 61 7.393 8.598 2.955 1.00 0.48 N ATOM 904 CA PRO A 61 6.859 9.844 3.463 1.00 0.55 C ATOM 905 C PRO A 61 5.338 9.768 3.506 1.00 0.49 C ATOM 906 O PRO A 61 4.684 9.592 2.471 1.00 0.43 O ATOM 907 CB PRO A 61 7.338 10.903 2.462 1.00 0.66 C ATOM 908 CG PRO A 61 8.417 10.240 1.676 1.00 0.70 C ATOM 909 CD PRO A 61 8.090 8.780 1.672 1.00 0.58 C ATOM 0 HA PRO A 61 7.189 10.073 4.476 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.524 11.230 1.815 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.712 11.789 2.975 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.457 10.633 0.660 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.393 10.419 2.126 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.458 8.510 0.826 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.988 8.165 1.609 1.00 0.58 H new ATOM 917 N ASP A 62 4.816 9.853 4.712 1.00 0.57 N ATOM 918 CA ASP A 62 3.387 9.704 5.043 1.00 0.56 C ATOM 919 C ASP A 62 2.431 10.354 4.036 1.00 0.48 C ATOM 920 O ASP A 62 1.582 9.676 3.467 1.00 0.46 O ATOM 921 CB ASP A 62 3.143 10.250 6.449 1.00 0.71 C ATOM 922 CG ASP A 62 1.695 10.232 6.871 1.00 1.23 C ATOM 923 OD1 ASP A 62 1.145 9.151 7.119 1.00 1.52 O ATOM 924 OD2 ASP A 62 1.098 11.326 7.006 1.00 1.98 O ATOM 0 H ASP A 62 5.390 10.036 5.535 1.00 0.57 H new ATOM 0 HA ASP A 62 3.162 8.638 4.996 1.00 0.56 H new ATOM 0 HB2 ASP A 62 3.726 9.665 7.161 1.00 0.71 H new ATOM 0 HB3 ASP A 62 3.513 11.274 6.499 1.00 0.71 H new ATOM 929 N ASP A 63 2.643 11.627 3.744 1.00 0.52 N ATOM 930 CA ASP A 63 1.734 12.405 2.868 1.00 0.56 C ATOM 931 C ASP A 63 1.697 11.860 1.424 1.00 0.50 C ATOM 932 O ASP A 63 0.699 12.000 0.708 1.00 0.60 O ATOM 933 CB ASP A 63 2.150 13.889 2.884 1.00 0.71 C ATOM 934 CG ASP A 63 1.306 14.786 2.000 1.00 1.56 C ATOM 935 OD1 ASP A 63 0.224 15.208 2.430 1.00 2.31 O ATOM 936 OD2 ASP A 63 1.677 15.037 0.832 1.00 2.20 O ATOM 0 H ASP A 63 3.438 12.161 4.096 1.00 0.52 H new ATOM 0 HA ASP A 63 0.722 12.305 3.262 1.00 0.56 H new ATOM 0 HB2 ASP A 63 2.099 14.257 3.909 1.00 0.71 H new ATOM 0 HB3 ASP A 63 3.191 13.965 2.570 1.00 0.71 H new ATOM 941 N VAL A 64 2.754 11.166 1.033 1.00 0.46 N ATOM 942 CA VAL A 64 2.898 10.636 -0.326 1.00 0.48 C ATOM 943 C VAL A 64 1.957 9.453 -0.559 1.00 0.42 C ATOM 944 O VAL A 64 1.576 9.151 -1.693 1.00 0.46 O ATOM 945 CB VAL A 64 4.362 10.209 -0.607 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.550 9.649 -2.021 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.308 11.374 -0.377 1.00 0.63 C ATOM 0 H VAL A 64 3.541 10.951 1.645 1.00 0.46 H new ATOM 0 HA VAL A 64 2.630 11.436 -1.017 1.00 0.48 H new ATOM 0 HB VAL A 64 4.597 9.406 0.092 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.593 9.366 -2.164 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.915 8.773 -2.153 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.277 10.409 -2.753 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.331 11.057 -0.579 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.044 12.194 -1.044 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.229 11.708 0.657 1.00 0.63 H new ATOM 957 N ALA A 65 1.493 8.843 0.513 1.00 0.45 N ATOM 958 CA ALA A 65 0.587 7.718 0.385 1.00 0.46 C ATOM 959 C ALA A 65 -0.824 8.197 0.032 1.00 0.44 C ATOM 960 O ALA A 65 -1.732 7.410 -0.158 1.00 0.51 O ATOM 961 CB ALA A 65 0.608 6.846 1.622 1.00 0.56 C ATOM 0 H ALA A 65 1.724 9.103 1.472 1.00 0.45 H new ATOM 0 HA ALA A 65 0.932 7.093 -0.439 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -0.082 6.013 1.492 1.00 0.56 H new ATOM 0 HB2 ALA A 65 1.616 6.461 1.779 1.00 0.56 H new ATOM 0 HB3 ALA A 65 0.306 7.435 2.488 1.00 0.56 H new ATOM 967 N GLY A 66 -0.980 9.506 -0.061 1.00 0.48 N ATOM 968 CA GLY A 66 -2.208 10.084 -0.526 1.00 0.57 C ATOM 969 C GLY A 66 -2.113 10.408 -2.009 1.00 0.58 C ATOM 970 O GLY A 66 -3.033 10.972 -2.596 1.00 0.91 O ATOM 0 H GLY A 66 -0.260 10.185 0.184 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -3.032 9.393 -0.350 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.427 10.991 0.038 1.00 0.57 H new ATOM 974 N ARG A 67 -0.970 10.074 -2.610 1.00 0.43 N ATOM 975 CA ARG A 67 -0.761 10.289 -4.036 1.00 0.48 C ATOM 976 C ARG A 67 -1.061 9.046 -4.833 1.00 0.45 C ATOM 977 O ARG A 67 -1.325 9.138 -6.023 1.00 0.63 O ATOM 978 CB ARG A 67 0.673 10.696 -4.370 1.00 0.59 C ATOM 979 CG ARG A 67 1.099 12.072 -3.946 1.00 1.35 C ATOM 980 CD ARG A 67 2.465 12.396 -4.539 1.00 1.46 C ATOM 981 NE ARG A 67 2.450 12.304 -6.020 1.00 2.35 N ATOM 982 CZ ARG A 67 3.527 12.332 -6.826 1.00 2.83 C ATOM 983 NH1 ARG A 67 4.755 12.396 -6.318 1.00 2.42 N ATOM 984 NH2 ARG A 67 3.360 12.267 -8.141 1.00 3.92 N ATOM 0 H ARG A 67 -0.176 9.653 -2.128 1.00 0.43 H new ATOM 0 HA ARG A 67 -1.443 11.097 -4.300 1.00 0.48 H new ATOM 0 HB2 ARG A 67 1.348 9.974 -3.910 1.00 0.59 H new ATOM 0 HB3 ARG A 67 0.807 10.615 -5.449 1.00 0.59 H new ATOM 0 HG2 ARG A 67 0.365 12.807 -4.276 1.00 1.35 H new ATOM 0 HG3 ARG A 67 1.142 12.130 -2.858 1.00 1.35 H new ATOM 0 HD2 ARG A 67 2.764 13.400 -4.239 1.00 1.46 H new ATOM 0 HD3 ARG A 67 3.209 11.708 -4.138 1.00 1.46 H new ATOM 0 HE ARG A 67 1.539 12.211 -6.469 1.00 2.35 H new ATOM 0 HH11 ARG A 67 4.888 12.424 -5.307 1.00 2.42 H new ATOM 0 HH12 ARG A 67 5.564 12.417 -6.939 1.00 2.42 H new ATOM 0 HH21 ARG A 67 2.421 12.196 -8.533 1.00 3.92 H new ATOM 0 HH22 ARG A 67 4.171 12.288 -8.760 1.00 3.92 H new ATOM 998 N VAL A 68 -0.974 7.889 -4.191 1.00 0.39 N ATOM 999 CA VAL A 68 -1.143 6.615 -4.882 1.00 0.38 C ATOM 1000 C VAL A 68 -2.552 6.456 -5.440 1.00 0.43 C ATOM 1001 O VAL A 68 -3.531 6.302 -4.708 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.708 5.401 -4.015 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.790 5.447 -3.796 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.410 5.377 -2.676 1.00 0.36 C ATOM 0 H VAL A 68 -0.787 7.805 -3.192 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.465 6.631 -5.735 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.987 4.495 -4.553 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.095 4.595 -3.188 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.300 5.407 -4.759 1.00 0.37 H new ATOM 0 HG13 VAL A 68 1.055 6.372 -3.284 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.075 4.511 -2.105 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.175 6.288 -2.126 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.487 5.314 -2.831 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.636 6.593 -6.740 1.00 0.51 N ATOM 1015 CA ASP A 69 -3.898 6.565 -7.461 1.00 0.65 C ATOM 1016 C ASP A 69 -4.458 5.160 -7.499 1.00 0.52 C ATOM 1017 O ASP A 69 -5.652 4.941 -7.259 1.00 0.58 O ATOM 1018 CB ASP A 69 -3.685 7.076 -8.884 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.965 7.382 -9.619 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -5.761 8.206 -9.140 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -5.241 6.745 -10.655 1.00 2.20 O ATOM 0 H ASP A 69 -1.823 6.729 -7.341 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.611 7.208 -6.945 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.073 7.977 -8.849 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -3.123 6.331 -9.447 1.00 0.86 H new ATOM 1026 N THR A 70 -3.598 4.210 -7.786 1.00 0.42 N ATOM 1027 CA THR A 70 -3.984 2.826 -7.872 1.00 0.34 C ATOM 1028 C THR A 70 -3.108 1.973 -6.938 1.00 0.30 C ATOM 1029 O THR A 70 -1.996 2.388 -6.570 1.00 0.33 O ATOM 1030 CB THR A 70 -3.871 2.320 -9.332 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.519 2.465 -9.809 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.804 3.107 -10.235 1.00 0.48 C ATOM 0 H THR A 70 -2.608 4.379 -7.966 1.00 0.42 H new ATOM 0 HA THR A 70 -5.024 2.734 -7.557 1.00 0.34 H new ATOM 0 HB THR A 70 -4.150 1.267 -9.350 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.461 2.140 -10.732 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.715 2.741 -11.258 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.832 2.982 -9.894 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.537 4.163 -10.203 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.590 0.792 -6.505 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.836 -0.098 -5.614 1.00 0.33 C ATOM 1042 C PRO A 71 -1.549 -0.609 -6.252 1.00 0.32 C ATOM 1043 O PRO A 71 -0.577 -0.892 -5.556 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.811 -1.245 -5.337 1.00 0.38 C ATOM 1045 CG PRO A 71 -5.146 -0.659 -5.632 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.922 0.250 -6.791 1.00 0.35 C ATOM 0 HA PRO A 71 -2.508 0.414 -4.710 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.604 -2.107 -5.971 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.744 -1.586 -4.304 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.873 -1.435 -5.874 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.536 -0.114 -4.773 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.949 -0.286 -7.740 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.678 1.034 -6.846 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.527 -0.696 -7.576 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.321 -1.112 -8.285 1.00 0.39 C ATOM 1056 C ARG A 72 0.736 -0.016 -8.156 1.00 0.32 C ATOM 1057 O ARG A 72 1.930 -0.292 -8.044 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.618 -1.383 -9.761 1.00 0.52 C ATOM 1059 CG ARG A 72 0.548 -2.001 -10.531 1.00 0.93 C ATOM 1060 CD ARG A 72 0.191 -2.206 -11.992 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.008 -3.040 -12.156 1.00 1.31 N ATOM 1062 CZ ARG A 72 -2.040 -2.736 -12.958 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -1.939 -1.736 -13.828 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -3.137 -3.475 -12.939 1.00 1.99 N ATOM 0 H ARG A 72 -2.323 -0.486 -8.178 1.00 0.34 H new ATOM 0 HA ARG A 72 0.048 -2.037 -7.842 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.478 -2.049 -9.831 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -0.900 -0.446 -10.241 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.422 -1.354 -10.454 1.00 0.93 H new ATOM 0 HG3 ARG A 72 0.818 -2.957 -10.082 1.00 0.93 H new ATOM 0 HD2 ARG A 72 0.026 -1.237 -12.464 1.00 1.15 H new ATOM 0 HD3 ARG A 72 1.030 -2.673 -12.508 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.059 -3.909 -11.624 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -1.075 -1.197 -13.887 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -2.725 -1.508 -14.436 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -3.200 -4.278 -12.314 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -3.920 -3.241 -13.550 1.00 1.99 H new ATOM 1078 N GLU A 73 0.276 1.221 -8.125 1.00 0.31 N ATOM 1079 CA GLU A 73 1.141 2.374 -7.980 1.00 0.32 C ATOM 1080 C GLU A 73 1.702 2.404 -6.558 1.00 0.26 C ATOM 1081 O GLU A 73 2.873 2.737 -6.344 1.00 0.30 O ATOM 1082 CB GLU A 73 0.344 3.641 -8.275 1.00 0.45 C ATOM 1083 CG GLU A 73 1.153 4.910 -8.327 1.00 0.53 C ATOM 1084 CD GLU A 73 0.309 6.077 -8.740 1.00 1.09 C ATOM 1085 OE1 GLU A 73 0.069 6.245 -9.940 1.00 1.51 O ATOM 1086 OE2 GLU A 73 -0.141 6.837 -7.874 1.00 1.86 O ATOM 0 H GLU A 73 -0.714 1.454 -8.200 1.00 0.31 H new ATOM 0 HA GLU A 73 1.972 2.314 -8.683 1.00 0.32 H new ATOM 0 HB2 GLU A 73 -0.167 3.516 -9.230 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.427 3.752 -7.513 1.00 0.45 H new ATOM 0 HG2 GLU A 73 1.592 5.104 -7.348 1.00 0.53 H new ATOM 0 HG3 GLU A 73 1.978 4.789 -9.028 1.00 0.53 H new ATOM 1093 N LEU A 74 0.858 2.021 -5.600 1.00 0.25 N ATOM 1094 CA LEU A 74 1.242 1.941 -4.193 1.00 0.26 C ATOM 1095 C LEU A 74 2.313 0.846 -4.043 1.00 0.24 C ATOM 1096 O LEU A 74 3.328 1.034 -3.369 1.00 0.27 O ATOM 1097 CB LEU A 74 -0.025 1.635 -3.333 1.00 0.29 C ATOM 1098 CG LEU A 74 0.028 1.894 -1.795 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.347 1.689 -1.189 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.024 0.994 -1.079 1.00 1.14 C ATOM 0 H LEU A 74 -0.111 1.758 -5.779 1.00 0.25 H new ATOM 0 HA LEU A 74 1.661 2.885 -3.844 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.848 2.223 -3.738 1.00 0.29 H new ATOM 0 HB3 LEU A 74 -0.279 0.586 -3.482 1.00 0.29 H new ATOM 0 HG LEU A 74 0.358 2.924 -1.662 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.302 1.871 -0.115 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -2.053 2.382 -1.646 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -1.675 0.665 -1.370 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.017 1.220 -0.013 1.00 1.14 H new ATOM 0 HD22 LEU A 74 0.747 -0.049 -1.231 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.023 1.166 -1.480 1.00 1.14 H new ATOM 1112 N LEU A 75 2.078 -0.279 -4.707 1.00 0.22 N ATOM 1113 CA LEU A 75 3.005 -1.403 -4.713 1.00 0.24 C ATOM 1114 C LEU A 75 4.360 -0.969 -5.282 1.00 0.23 C ATOM 1115 O LEU A 75 5.407 -1.267 -4.703 1.00 0.25 O ATOM 1116 CB LEU A 75 2.410 -2.562 -5.539 1.00 0.28 C ATOM 1117 CG LEU A 75 3.231 -3.858 -5.629 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.443 -4.462 -4.251 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.537 -4.858 -6.544 1.00 0.47 C ATOM 0 H LEU A 75 1.235 -0.438 -5.259 1.00 0.22 H new ATOM 0 HA LEU A 75 3.161 -1.747 -3.690 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.435 -2.809 -5.120 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.239 -2.200 -6.553 1.00 0.28 H new ATOM 0 HG LEU A 75 4.208 -3.616 -6.048 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.027 -5.378 -4.341 1.00 0.42 H new ATOM 0 HD12 LEU A 75 3.978 -3.752 -3.621 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.477 -4.690 -3.801 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.129 -5.772 -6.599 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.548 -5.089 -6.147 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.437 -4.430 -7.541 1.00 0.47 H new ATOM 1131 N ASP A 76 4.317 -0.223 -6.389 1.00 0.24 N ATOM 1132 CA ASP A 76 5.525 0.300 -7.065 1.00 0.30 C ATOM 1133 C ASP A 76 6.376 1.133 -6.127 1.00 0.28 C ATOM 1134 O ASP A 76 7.599 1.007 -6.111 1.00 0.31 O ATOM 1135 CB ASP A 76 5.142 1.151 -8.275 1.00 0.40 C ATOM 1136 CG ASP A 76 6.342 1.748 -8.980 1.00 0.57 C ATOM 1137 OD1 ASP A 76 6.965 1.047 -9.806 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.659 2.940 -8.744 1.00 0.64 O ATOM 0 H ASP A 76 3.446 0.040 -6.849 1.00 0.24 H new ATOM 0 HA ASP A 76 6.105 -0.564 -7.390 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.580 0.538 -8.980 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.480 1.954 -7.953 1.00 0.40 H new ATOM 1143 N LEU A 77 5.714 1.965 -5.337 1.00 0.27 N ATOM 1144 CA LEU A 77 6.367 2.821 -4.351 1.00 0.29 C ATOM 1145 C LEU A 77 7.233 1.992 -3.405 1.00 0.28 C ATOM 1146 O LEU A 77 8.416 2.285 -3.193 1.00 0.33 O ATOM 1147 CB LEU A 77 5.295 3.594 -3.561 1.00 0.32 C ATOM 1148 CG LEU A 77 5.761 4.425 -2.357 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.746 5.501 -2.771 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.565 5.040 -1.649 1.00 0.63 C ATOM 0 H LEU A 77 4.699 2.068 -5.360 1.00 0.27 H new ATOM 0 HA LEU A 77 7.017 3.528 -4.866 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.784 4.263 -4.254 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.555 2.876 -3.208 1.00 0.32 H new ATOM 0 HG LEU A 77 6.275 3.756 -1.667 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.054 6.069 -1.893 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.620 5.038 -3.229 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.273 6.171 -3.489 1.00 0.96 H new ATOM 0 HD21 LEU A 77 4.909 5.627 -0.797 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.025 5.687 -2.341 1.00 0.63 H new ATOM 0 HD23 LEU A 77 3.902 4.248 -1.300 1.00 0.63 H new ATOM 1162 N ILE A 78 6.661 0.927 -2.897 1.00 0.25 N ATOM 1163 CA ILE A 78 7.357 0.086 -1.953 1.00 0.28 C ATOM 1164 C ILE A 78 8.381 -0.800 -2.671 1.00 0.30 C ATOM 1165 O ILE A 78 9.441 -1.094 -2.125 1.00 0.34 O ATOM 1166 CB ILE A 78 6.366 -0.748 -1.101 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.329 0.203 -0.481 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.115 -1.510 0.002 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.291 -0.463 0.382 1.00 0.51 C ATOM 0 H ILE A 78 5.714 0.622 -3.122 1.00 0.25 H new ATOM 0 HA ILE A 78 7.903 0.729 -1.263 1.00 0.28 H new ATOM 0 HB ILE A 78 5.865 -1.480 -1.735 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.853 0.948 0.117 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.823 0.738 -1.284 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.404 -2.090 0.590 1.00 0.40 H new ATOM 0 HG22 ILE A 78 7.845 -2.181 -0.451 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.629 -0.800 0.650 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.606 0.289 0.773 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.734 -1.187 -0.212 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.781 -0.974 1.211 1.00 0.51 H new ATOM 1181 N ASN A 79 8.075 -1.193 -3.911 1.00 0.34 N ATOM 1182 CA ASN A 79 9.032 -1.950 -4.748 1.00 0.43 C ATOM 1183 C ASN A 79 10.300 -1.129 -4.933 1.00 0.46 C ATOM 1184 O ASN A 79 11.413 -1.636 -4.768 1.00 0.50 O ATOM 1185 CB ASN A 79 8.460 -2.274 -6.155 1.00 0.55 C ATOM 1186 CG ASN A 79 7.402 -3.378 -6.225 1.00 0.62 C ATOM 1187 OD1 ASN A 79 6.487 -3.312 -7.045 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.545 -4.421 -5.442 1.00 0.84 N ATOM 0 H ASN A 79 7.180 -1.005 -4.362 1.00 0.34 H new ATOM 0 HA ASN A 79 9.235 -2.889 -4.233 1.00 0.43 H new ATOM 0 HB2 ASN A 79 8.028 -1.361 -6.566 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.289 -2.555 -6.804 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.890 -5.200 -5.505 1.00 0.84 H new ATOM 0 HD22 ASN A 79 8.312 -4.453 -4.770 1.00 0.84 H new ATOM 1195 N GLY A 80 10.111 0.148 -5.259 1.00 0.47 N ATOM 1196 CA GLY A 80 11.212 1.068 -5.443 1.00 0.56 C ATOM 1197 C GLY A 80 12.021 1.231 -4.179 1.00 0.55 C ATOM 1198 O GLY A 80 13.248 1.141 -4.210 1.00 0.63 O ATOM 0 H GLY A 80 9.191 0.565 -5.401 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.857 0.708 -6.244 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.827 2.038 -5.756 1.00 0.56 H new ATOM 1202 N ALA A 81 11.331 1.417 -3.059 1.00 0.49 N ATOM 1203 CA ALA A 81 11.974 1.561 -1.756 1.00 0.53 C ATOM 1204 C ALA A 81 12.786 0.300 -1.405 1.00 0.50 C ATOM 1205 O ALA A 81 13.880 0.386 -0.835 1.00 0.61 O ATOM 1206 CB ALA A 81 10.932 1.846 -0.685 1.00 0.53 C ATOM 0 H ALA A 81 10.313 1.472 -3.028 1.00 0.49 H new ATOM 0 HA ALA A 81 12.664 2.403 -1.802 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.424 1.951 0.282 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.405 2.769 -0.927 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.220 1.022 -0.642 1.00 0.53 H new ATOM 1212 N LEU A 82 12.257 -0.858 -1.784 1.00 0.42 N ATOM 1213 CA LEU A 82 12.932 -2.137 -1.571 1.00 0.44 C ATOM 1214 C LEU A 82 14.137 -2.283 -2.470 1.00 0.56 C ATOM 1215 O LEU A 82 15.140 -2.869 -2.079 1.00 0.74 O ATOM 1216 CB LEU A 82 11.980 -3.312 -1.773 1.00 0.40 C ATOM 1217 CG LEU A 82 10.887 -3.450 -0.728 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.979 -4.605 -1.058 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.507 -3.645 0.626 1.00 0.46 C ATOM 0 H LEU A 82 11.351 -0.939 -2.246 1.00 0.42 H new ATOM 0 HA LEU A 82 13.273 -2.147 -0.536 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.513 -3.215 -2.753 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.564 -4.232 -1.788 1.00 0.40 H new ATOM 0 HG LEU A 82 10.288 -2.539 -0.721 1.00 0.38 H new ATOM 0 HD11 LEU A 82 9.203 -4.687 -0.297 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.517 -4.438 -2.031 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.559 -5.528 -1.085 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.721 -3.744 1.375 1.00 0.46 H new ATOM 0 HD22 LEU A 82 12.118 -4.548 0.620 1.00 0.46 H new ATOM 0 HD23 LEU A 82 12.132 -2.785 0.867 1.00 0.46 H new ATOM 1231 N ALA A 83 14.045 -1.738 -3.666 1.00 0.56 N ATOM 1232 CA ALA A 83 15.153 -1.757 -4.604 1.00 0.71 C ATOM 1233 C ALA A 83 16.292 -0.894 -4.075 1.00 0.84 C ATOM 1234 O ALA A 83 17.465 -1.196 -4.272 1.00 1.00 O ATOM 1235 CB ALA A 83 14.707 -1.280 -5.982 1.00 0.78 C ATOM 0 H ALA A 83 13.207 -1.272 -4.015 1.00 0.56 H new ATOM 0 HA ALA A 83 15.507 -2.783 -4.707 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.555 -1.303 -6.667 1.00 0.78 H new ATOM 0 HB2 ALA A 83 13.920 -1.934 -6.356 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.327 -0.261 -5.909 1.00 0.78 H new ATOM 1241 N GLU A 84 15.935 0.162 -3.363 1.00 0.89 N ATOM 1242 CA GLU A 84 16.912 1.057 -2.752 1.00 1.12 C ATOM 1243 C GLU A 84 17.396 0.488 -1.411 1.00 1.10 C ATOM 1244 O GLU A 84 18.297 1.029 -0.771 1.00 1.37 O ATOM 1245 CB GLU A 84 16.313 2.458 -2.560 1.00 1.34 C ATOM 1246 CG GLU A 84 15.832 3.094 -3.855 1.00 1.96 C ATOM 1247 CD GLU A 84 15.304 4.495 -3.674 1.00 2.48 C ATOM 1248 OE1 GLU A 84 14.101 4.667 -3.417 1.00 3.17 O ATOM 1249 OE2 GLU A 84 16.092 5.464 -3.819 1.00 2.77 O ATOM 0 H GLU A 84 14.965 0.425 -3.191 1.00 0.89 H new ATOM 0 HA GLU A 84 17.769 1.140 -3.420 1.00 1.12 H new ATOM 0 HB2 GLU A 84 15.477 2.395 -1.863 1.00 1.34 H new ATOM 0 HB3 GLU A 84 17.061 3.105 -2.103 1.00 1.34 H new ATOM 0 HG2 GLU A 84 16.655 3.113 -4.569 1.00 1.96 H new ATOM 0 HG3 GLU A 84 15.049 2.472 -4.288 1.00 1.96 H new ATOM 1256 N ALA A 85 16.796 -0.614 -1.003 1.00 1.08 N ATOM 1257 CA ALA A 85 17.150 -1.292 0.232 1.00 1.24 C ATOM 1258 C ALA A 85 17.936 -2.564 -0.078 1.00 1.57 C ATOM 1259 O ALA A 85 18.137 -3.426 0.787 1.00 1.86 O ATOM 1260 CB ALA A 85 15.893 -1.617 1.033 1.00 1.36 C ATOM 0 H ALA A 85 16.044 -1.068 -1.522 1.00 1.08 H new ATOM 0 HA ALA A 85 17.778 -0.634 0.832 1.00 1.24 H new ATOM 0 HB1 ALA A 85 16.171 -2.125 1.956 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.365 -0.694 1.272 1.00 1.36 H new ATOM 0 HB3 ALA A 85 15.244 -2.265 0.444 1.00 1.36 H new