USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 6 THR OG1 : rot -110:sc= 1.73 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 82:sc= 0.992 USER MOD Single : A 27 SER OG : rot 180:sc= 0.355 USER MOD Single : A 40 TYR OH : rot 29:sc= 0.0354 USER MOD Single : A 42 SER OG : rot 180:sc= -0.184 USER MOD Single : A 46 MET CE :methyl -149:sc= -1.29 (180deg=-3.06!) USER MOD Single : A 48 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 54 SER OG : rot -85:sc= 1.09 USER MOD Single : A 56 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0975 USER MOD Single : A 70 THR OG1 : rot -54:sc= 0.469 USER MOD Single : A 79 ASN : amide:sc= -0.489 K(o=-0.49,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 14.064 -4.374 1.705 1.00 0.80 N ATOM 45 CA LEU A 4 13.233 -3.967 0.626 1.00 0.65 C ATOM 46 C LEU A 4 11.870 -4.488 1.013 1.00 0.68 C ATOM 47 O LEU A 4 11.804 -5.522 1.684 1.00 0.86 O ATOM 48 CB LEU A 4 13.712 -4.610 -0.686 1.00 0.70 C ATOM 49 CG LEU A 4 13.243 -3.934 -1.960 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.871 -2.546 -2.077 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.564 -4.779 -3.176 1.00 1.01 C ATOM 0 HA LEU A 4 13.240 -2.890 0.460 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.802 -4.625 -0.685 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.379 -5.648 -0.703 1.00 0.70 H new ATOM 0 HG LEU A 4 12.160 -3.824 -1.915 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.529 -2.068 -2.995 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.576 -1.940 -1.220 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.957 -2.639 -2.099 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.216 -4.270 -4.075 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.641 -4.932 -3.239 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.065 -5.744 -3.090 1.00 1.01 H new ATOM 63 N LEU A 5 10.810 -3.825 0.637 1.00 0.60 N ATOM 64 CA LEU A 5 9.515 -4.228 1.117 1.00 0.64 C ATOM 65 C LEU A 5 9.079 -5.553 0.510 1.00 0.59 C ATOM 66 O LEU A 5 9.109 -5.743 -0.723 1.00 0.61 O ATOM 67 CB LEU A 5 8.447 -3.144 0.933 1.00 0.69 C ATOM 68 CG LEU A 5 7.161 -3.419 1.701 1.00 0.90 C ATOM 69 CD1 LEU A 5 7.462 -3.512 3.168 1.00 1.61 C ATOM 70 CD2 LEU A 5 6.117 -2.360 1.463 1.00 1.54 C ATOM 0 H LEU A 5 10.814 -3.019 0.012 1.00 0.60 H new ATOM 0 HA LEU A 5 9.620 -4.375 2.192 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.855 -2.186 1.255 1.00 0.69 H new ATOM 0 HB3 LEU A 5 8.214 -3.051 -0.128 1.00 0.69 H new ATOM 0 HG LEU A 5 6.756 -4.364 1.338 1.00 0.90 H new ATOM 0 HD11 LEU A 5 6.541 -3.709 3.717 1.00 1.61 H new ATOM 0 HD12 LEU A 5 8.169 -4.323 3.344 1.00 1.61 H new ATOM 0 HD13 LEU A 5 7.895 -2.572 3.511 1.00 1.61 H new ATOM 0 HD21 LEU A 5 5.219 -2.600 2.032 1.00 1.54 H new ATOM 0 HD22 LEU A 5 6.501 -1.392 1.784 1.00 1.54 H new ATOM 0 HD23 LEU A 5 5.874 -2.321 0.401 1.00 1.54 H new ATOM 82 N THR A 6 8.701 -6.463 1.379 1.00 0.61 N ATOM 83 CA THR A 6 8.294 -7.776 0.999 1.00 0.63 C ATOM 84 C THR A 6 6.791 -7.813 0.758 1.00 0.57 C ATOM 85 O THR A 6 6.105 -6.792 0.870 1.00 0.59 O ATOM 86 CB THR A 6 8.625 -8.785 2.123 1.00 0.79 C ATOM 87 OG1 THR A 6 7.881 -8.426 3.311 1.00 0.95 O ATOM 88 CG2 THR A 6 10.119 -8.800 2.441 1.00 0.97 C ATOM 0 H THR A 6 8.671 -6.298 2.385 1.00 0.61 H new ATOM 0 HA THR A 6 8.827 -8.042 0.086 1.00 0.63 H new ATOM 0 HB THR A 6 8.345 -9.783 1.784 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.498 -8.088 3.994 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.315 -9.520 3.235 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.678 -9.083 1.549 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.432 -7.808 2.766 1.00 0.97 H new ATOM 96 N THR A 7 6.280 -8.982 0.489 1.00 0.60 N ATOM 97 CA THR A 7 4.869 -9.168 0.334 1.00 0.59 C ATOM 98 C THR A 7 4.277 -9.282 1.749 1.00 0.53 C ATOM 99 O THR A 7 3.207 -8.764 2.044 1.00 0.56 O ATOM 100 CB THR A 7 4.636 -10.486 -0.423 1.00 0.69 C ATOM 101 OG1 THR A 7 5.626 -10.593 -1.474 1.00 0.90 O ATOM 102 CG2 THR A 7 3.250 -10.514 -1.052 1.00 0.81 C ATOM 0 H THR A 7 6.832 -9.831 0.371 1.00 0.60 H new ATOM 0 HA THR A 7 4.409 -8.347 -0.215 1.00 0.59 H new ATOM 0 HB THR A 7 4.718 -11.316 0.279 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.492 -11.430 -1.966 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.110 -11.456 -1.582 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.494 -10.420 -0.272 1.00 0.81 H new ATOM 0 HG23 THR A 7 3.152 -9.686 -1.754 1.00 0.81 H new ATOM 110 N ASP A 8 5.041 -9.920 2.618 1.00 0.54 N ATOM 111 CA ASP A 8 4.660 -10.187 3.997 1.00 0.54 C ATOM 112 C ASP A 8 4.442 -8.908 4.779 1.00 0.52 C ATOM 113 O ASP A 8 3.396 -8.737 5.422 1.00 0.54 O ATOM 114 CB ASP A 8 5.723 -11.045 4.674 1.00 0.63 C ATOM 115 CG ASP A 8 5.408 -11.332 6.115 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.345 -11.932 6.405 1.00 1.98 O ATOM 117 OD2 ASP A 8 6.236 -11.013 6.981 1.00 2.26 O ATOM 0 H ASP A 8 5.967 -10.276 2.380 1.00 0.54 H new ATOM 0 HA ASP A 8 3.713 -10.727 3.982 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.822 -11.987 4.134 1.00 0.63 H new ATOM 0 HB3 ASP A 8 6.686 -10.539 4.611 1.00 0.63 H new ATOM 122 N ASP A 9 5.405 -8.001 4.706 1.00 0.57 N ATOM 123 CA ASP A 9 5.307 -6.709 5.405 1.00 0.64 C ATOM 124 C ASP A 9 4.157 -5.904 4.888 1.00 0.59 C ATOM 125 O ASP A 9 3.429 -5.286 5.660 1.00 0.63 O ATOM 126 CB ASP A 9 6.577 -5.879 5.283 1.00 0.79 C ATOM 127 CG ASP A 9 7.726 -6.381 6.121 1.00 1.60 C ATOM 128 OD1 ASP A 9 8.304 -7.441 5.749 1.00 2.47 O ATOM 129 OD2 ASP A 9 8.049 -5.750 7.165 1.00 1.70 O ATOM 0 H ASP A 9 6.266 -8.127 4.173 1.00 0.57 H new ATOM 0 HA ASP A 9 5.153 -6.949 6.457 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.886 -5.859 4.238 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.355 -4.851 5.569 1.00 0.79 H new ATOM 134 N LEU A 10 3.961 -5.933 3.578 1.00 0.54 N ATOM 135 CA LEU A 10 2.884 -5.183 2.969 1.00 0.54 C ATOM 136 C LEU A 10 1.540 -5.757 3.398 1.00 0.53 C ATOM 137 O LEU A 10 0.609 -5.009 3.651 1.00 0.59 O ATOM 138 CB LEU A 10 2.987 -5.164 1.452 1.00 0.55 C ATOM 139 CG LEU A 10 1.936 -4.298 0.743 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.157 -2.817 1.036 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.936 -4.568 -0.744 1.00 0.65 C ATOM 0 H LEU A 10 4.533 -6.466 2.923 1.00 0.54 H new ATOM 0 HA LEU A 10 2.966 -4.152 3.314 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.978 -4.806 1.174 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.902 -6.186 1.084 1.00 0.55 H new ATOM 0 HG LEU A 10 0.955 -4.568 1.134 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.399 -2.227 0.521 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.085 -2.644 2.110 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.146 -2.521 0.687 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.184 -3.944 -1.227 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.918 -4.337 -1.156 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.706 -5.618 -0.923 1.00 0.65 H new ATOM 153 N ARG A 11 1.465 -7.088 3.491 1.00 0.49 N ATOM 154 CA ARG A 11 0.265 -7.785 3.960 1.00 0.50 C ATOM 155 C ARG A 11 -0.141 -7.245 5.309 1.00 0.54 C ATOM 156 O ARG A 11 -1.242 -6.754 5.485 1.00 0.63 O ATOM 157 CB ARG A 11 0.528 -9.308 4.050 1.00 0.51 C ATOM 158 CG ARG A 11 -0.639 -10.133 4.592 1.00 0.61 C ATOM 159 CD ARG A 11 -0.349 -11.639 4.536 1.00 0.72 C ATOM 160 NE ARG A 11 0.870 -12.022 5.291 1.00 0.96 N ATOM 161 CZ ARG A 11 1.076 -13.222 5.872 1.00 1.24 C ATOM 162 NH1 ARG A 11 0.160 -14.189 5.803 1.00 1.65 N ATOM 163 NH2 ARG A 11 2.212 -13.456 6.513 1.00 1.80 N ATOM 0 H ARG A 11 2.234 -7.711 3.244 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.544 -7.616 3.250 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.784 -9.677 3.057 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.398 -9.475 4.686 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.843 -9.841 5.622 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.537 -9.914 4.015 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.204 -12.183 4.937 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.236 -11.944 3.495 1.00 0.72 H new ATOM 0 HE ARG A 11 1.609 -11.324 5.377 1.00 0.96 H new ATOM 0 HH11 ARG A 11 -0.715 -14.028 5.304 1.00 1.65 H new ATOM 0 HH12 ARG A 11 0.335 -15.090 6.249 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.927 -12.730 6.566 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.372 -14.362 6.954 1.00 1.80 H new ATOM 177 N ARG A 12 0.798 -7.264 6.216 1.00 0.54 N ATOM 178 CA ARG A 12 0.587 -6.828 7.573 1.00 0.60 C ATOM 179 C ARG A 12 0.255 -5.340 7.642 1.00 0.58 C ATOM 180 O ARG A 12 -0.657 -4.941 8.354 1.00 0.66 O ATOM 181 CB ARG A 12 1.800 -7.207 8.410 1.00 0.68 C ATOM 182 CG ARG A 12 1.942 -8.717 8.509 1.00 0.80 C ATOM 183 CD ARG A 12 3.255 -9.165 9.105 1.00 0.96 C ATOM 184 NE ARG A 12 3.514 -8.640 10.450 1.00 1.50 N ATOM 185 CZ ARG A 12 3.423 -9.357 11.579 1.00 2.02 C ATOM 186 NH1 ARG A 12 2.611 -10.404 11.639 1.00 2.23 N ATOM 187 NH2 ARG A 12 4.035 -8.948 12.680 1.00 2.93 N ATOM 0 H ARG A 12 1.747 -7.588 6.031 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.284 -7.336 7.989 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.700 -6.782 7.966 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.705 -6.781 9.409 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.125 -9.111 9.114 1.00 0.80 H new ATOM 0 HG3 ARG A 12 1.839 -9.149 7.514 1.00 0.80 H new ATOM 0 HD2 ARG A 12 3.271 -10.254 9.143 1.00 0.96 H new ATOM 0 HD3 ARG A 12 4.065 -8.857 8.444 1.00 0.96 H new ATOM 0 HE ARG A 12 3.782 -7.659 10.532 1.00 1.50 H new ATOM 0 HH11 ARG A 12 2.054 -10.665 10.825 1.00 2.23 H new ATOM 0 HH12 ARG A 12 2.543 -10.948 12.499 1.00 2.23 H new ATOM 0 HH21 ARG A 12 4.578 -8.085 12.671 1.00 2.93 H new ATOM 0 HH22 ARG A 12 3.963 -9.496 13.537 1.00 2.93 H new ATOM 201 N ALA A 13 0.954 -4.541 6.856 1.00 0.54 N ATOM 202 CA ALA A 13 0.714 -3.104 6.805 1.00 0.58 C ATOM 203 C ALA A 13 -0.670 -2.786 6.262 1.00 0.56 C ATOM 204 O ALA A 13 -1.365 -1.905 6.788 1.00 0.65 O ATOM 205 CB ALA A 13 1.756 -2.420 5.959 1.00 0.66 C ATOM 0 H ALA A 13 1.699 -4.863 6.238 1.00 0.54 H new ATOM 0 HA ALA A 13 0.776 -2.731 7.827 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.558 -1.348 5.934 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.744 -2.597 6.385 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.721 -2.819 4.945 1.00 0.66 H new ATOM 211 N LEU A 14 -1.068 -3.494 5.224 1.00 0.53 N ATOM 212 CA LEU A 14 -2.354 -3.289 4.608 1.00 0.59 C ATOM 213 C LEU A 14 -3.491 -3.754 5.548 1.00 0.75 C ATOM 214 O LEU A 14 -4.590 -3.230 5.497 1.00 1.02 O ATOM 215 CB LEU A 14 -2.396 -4.000 3.251 1.00 0.54 C ATOM 216 CG LEU A 14 -3.545 -3.635 2.320 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.477 -2.161 1.956 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.507 -4.496 1.073 1.00 1.06 C ATOM 0 H LEU A 14 -0.507 -4.225 4.788 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.507 -2.224 4.432 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.460 -3.796 2.731 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.433 -5.074 3.431 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.487 -3.820 2.836 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.303 -1.912 1.290 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.547 -1.559 2.862 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.532 -1.953 1.454 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.334 -4.224 0.417 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.563 -4.339 0.551 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.596 -5.546 1.353 1.00 1.06 H new ATOM 230 N VAL A 15 -3.198 -4.730 6.414 1.00 0.71 N ATOM 231 CA VAL A 15 -4.148 -5.175 7.453 1.00 0.83 C ATOM 232 C VAL A 15 -4.248 -4.081 8.519 1.00 0.85 C ATOM 233 O VAL A 15 -5.336 -3.588 8.836 1.00 0.98 O ATOM 234 CB VAL A 15 -3.668 -6.491 8.153 1.00 0.89 C ATOM 235 CG1 VAL A 15 -4.596 -6.867 9.313 1.00 1.02 C ATOM 236 CG2 VAL A 15 -3.611 -7.646 7.178 1.00 0.91 C ATOM 0 H VAL A 15 -2.310 -5.231 6.420 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.109 -5.366 6.975 1.00 0.83 H new ATOM 0 HB VAL A 15 -2.666 -6.298 8.536 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -4.240 -7.784 9.781 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -4.603 -6.063 10.049 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -5.607 -7.021 8.935 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.274 -8.544 7.697 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.603 -7.819 6.760 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -2.915 -7.409 6.373 1.00 0.91 H new ATOM 246 N GLU A 16 -3.099 -3.721 9.061 1.00 0.81 N ATOM 247 CA GLU A 16 -2.976 -2.719 10.111 1.00 0.87 C ATOM 248 C GLU A 16 -3.613 -1.388 9.744 1.00 0.89 C ATOM 249 O GLU A 16 -4.216 -0.750 10.583 1.00 1.05 O ATOM 250 CB GLU A 16 -1.499 -2.523 10.474 1.00 0.91 C ATOM 251 CG GLU A 16 -0.902 -3.666 11.285 1.00 1.00 C ATOM 252 CD GLU A 16 -1.416 -3.695 12.701 1.00 1.30 C ATOM 253 OE1 GLU A 16 -2.600 -4.043 12.905 1.00 1.90 O ATOM 254 OE2 GLU A 16 -0.647 -3.416 13.634 1.00 1.91 O ATOM 0 H GLU A 16 -2.205 -4.124 8.780 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.524 -3.095 10.975 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -0.923 -2.403 9.556 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.394 -1.597 11.039 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.133 -4.613 10.798 1.00 1.00 H new ATOM 0 HG3 GLU A 16 0.184 -3.571 11.297 1.00 1.00 H new ATOM 261 N SER A 17 -3.507 -0.988 8.502 1.00 0.82 N ATOM 262 CA SER A 17 -4.016 0.307 8.098 1.00 0.93 C ATOM 263 C SER A 17 -5.468 0.237 7.601 1.00 1.03 C ATOM 264 O SER A 17 -6.076 1.273 7.280 1.00 1.22 O ATOM 265 CB SER A 17 -3.092 0.897 7.042 1.00 0.96 C ATOM 266 OG SER A 17 -1.730 0.817 7.492 1.00 1.58 O ATOM 0 H SER A 17 -3.077 -1.533 7.755 1.00 0.82 H new ATOM 0 HA SER A 17 -4.032 0.959 8.971 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.207 0.358 6.102 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.361 1.935 6.849 1.00 0.96 H new ATOM 0 HG SER A 17 -1.382 -0.083 7.323 1.00 1.58 H new ATOM 351 N ASP A 25 -10.088 -11.305 4.402 1.00 1.06 N ATOM 352 CA ASP A 25 -8.889 -12.090 4.673 1.00 1.14 C ATOM 353 C ASP A 25 -7.824 -11.795 3.642 1.00 0.91 C ATOM 354 O ASP A 25 -7.928 -12.186 2.474 1.00 1.11 O ATOM 355 CB ASP A 25 -9.196 -13.598 4.763 1.00 1.52 C ATOM 356 CG ASP A 25 -10.099 -13.937 5.934 1.00 1.99 C ATOM 357 OD1 ASP A 25 -9.614 -14.004 7.080 1.00 2.49 O ATOM 358 OD2 ASP A 25 -11.313 -14.168 5.729 1.00 2.41 O ATOM 0 HA ASP A 25 -8.507 -11.795 5.650 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.669 -13.925 3.837 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -8.261 -14.151 4.857 1.00 1.52 H new ATOM 363 N LEU A 26 -6.805 -11.114 4.086 1.00 0.84 N ATOM 364 CA LEU A 26 -5.766 -10.565 3.240 1.00 0.77 C ATOM 365 C LEU A 26 -4.536 -11.482 3.222 1.00 0.86 C ATOM 366 O LEU A 26 -3.416 -11.053 2.937 1.00 1.05 O ATOM 367 CB LEU A 26 -5.398 -9.190 3.814 1.00 0.94 C ATOM 368 CG LEU A 26 -4.682 -8.222 2.880 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.602 -7.808 1.745 1.00 1.22 C ATOM 370 CD2 LEU A 26 -4.216 -7.016 3.652 1.00 1.11 C ATOM 0 H LEU A 26 -6.664 -10.916 5.077 1.00 0.84 H new ATOM 0 HA LEU A 26 -6.118 -10.477 2.212 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -6.314 -8.711 4.161 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.768 -9.346 4.689 1.00 0.94 H new ATOM 0 HG LEU A 26 -3.812 -8.719 2.451 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -5.078 -7.116 1.085 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -5.903 -8.690 1.180 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.487 -7.320 2.153 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.705 -6.328 2.978 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -5.075 -6.516 4.099 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.530 -7.330 4.439 1.00 1.11 H new ATOM 382 N SER A 27 -4.746 -12.733 3.484 1.00 0.96 N ATOM 383 CA SER A 27 -3.665 -13.676 3.482 1.00 1.13 C ATOM 384 C SER A 27 -3.862 -14.606 2.291 1.00 1.20 C ATOM 385 O SER A 27 -4.996 -14.835 1.866 1.00 1.66 O ATOM 386 CB SER A 27 -3.604 -14.440 4.809 1.00 1.36 C ATOM 387 OG SER A 27 -2.379 -15.165 4.936 1.00 1.89 O ATOM 0 H SER A 27 -5.660 -13.130 3.703 1.00 0.96 H new ATOM 0 HA SER A 27 -2.708 -13.163 3.385 1.00 1.13 H new ATOM 0 HB2 SER A 27 -3.702 -13.740 5.639 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.445 -15.130 4.873 1.00 1.36 H new ATOM 0 HG SER A 27 -2.368 -15.641 5.793 1.00 1.89 H new ATOM 393 N GLY A 28 -2.786 -15.126 1.754 1.00 1.48 N ATOM 394 CA GLY A 28 -2.868 -15.901 0.540 1.00 1.67 C ATOM 395 C GLY A 28 -2.455 -15.023 -0.602 1.00 1.54 C ATOM 396 O GLY A 28 -1.290 -14.585 -0.661 1.00 2.30 O ATOM 0 H GLY A 28 -1.846 -15.027 2.137 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -2.220 -16.775 0.602 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -3.884 -16.268 0.390 1.00 1.67 H new ATOM 400 N ASP A 29 -3.375 -14.717 -1.488 1.00 1.09 N ATOM 401 CA ASP A 29 -3.080 -13.761 -2.529 1.00 1.07 C ATOM 402 C ASP A 29 -3.897 -12.525 -2.378 1.00 0.87 C ATOM 403 O ASP A 29 -5.128 -12.529 -2.526 1.00 1.13 O ATOM 404 CB ASP A 29 -3.156 -14.275 -3.962 1.00 1.48 C ATOM 405 CG ASP A 29 -2.848 -13.136 -4.956 1.00 2.24 C ATOM 406 OD1 ASP A 29 -1.692 -12.590 -4.927 1.00 2.56 O ATOM 407 OD2 ASP A 29 -3.746 -12.753 -5.737 1.00 2.97 O ATOM 0 H ASP A 29 -4.317 -15.108 -1.510 1.00 1.09 H new ATOM 0 HA ASP A 29 -2.024 -13.538 -2.374 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -2.446 -15.090 -4.101 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -4.149 -14.680 -4.158 1.00 1.48 H new ATOM 412 N PHE A 30 -3.214 -11.486 -2.046 1.00 0.67 N ATOM 413 CA PHE A 30 -3.791 -10.185 -1.897 1.00 0.57 C ATOM 414 C PHE A 30 -3.013 -9.223 -2.780 1.00 0.49 C ATOM 415 O PHE A 30 -3.492 -8.164 -3.133 1.00 0.48 O ATOM 416 CB PHE A 30 -3.682 -9.727 -0.428 1.00 0.59 C ATOM 417 CG PHE A 30 -2.264 -9.426 0.001 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.387 -10.448 0.325 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.801 -8.119 0.021 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.083 -10.174 0.664 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.496 -7.841 0.350 1.00 0.65 C ATOM 422 CZ PHE A 30 0.363 -8.866 0.670 1.00 0.73 C ATOM 0 H PHE A 30 -2.211 -11.512 -1.864 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.843 -10.207 -2.182 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.294 -8.836 -0.286 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.093 -10.502 0.219 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.731 -11.472 0.311 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.474 -7.310 -0.225 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.590 -10.978 0.924 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.146 -6.819 0.357 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.389 -8.648 0.927 1.00 0.73 H new ATOM 432 N LEU A 31 -1.806 -9.640 -3.150 1.00 0.54 N ATOM 433 CA LEU A 31 -0.866 -8.797 -3.847 1.00 0.60 C ATOM 434 C LEU A 31 -1.302 -8.574 -5.276 1.00 0.63 C ATOM 435 O LEU A 31 -1.194 -7.464 -5.798 1.00 0.72 O ATOM 436 CB LEU A 31 0.525 -9.436 -3.824 1.00 0.75 C ATOM 437 CG LEU A 31 1.681 -8.548 -4.258 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.907 -7.445 -3.245 1.00 0.75 C ATOM 439 CD2 LEU A 31 2.945 -9.362 -4.464 1.00 1.43 C ATOM 0 H LEU A 31 -1.459 -10.582 -2.969 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.830 -7.832 -3.341 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.724 -9.786 -2.811 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.508 -10.315 -4.468 1.00 0.75 H new ATOM 0 HG LEU A 31 1.422 -8.091 -5.213 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.737 -6.818 -3.569 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.005 -6.838 -3.160 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.141 -7.884 -2.275 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.756 -8.703 -4.774 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.216 -9.856 -3.531 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.773 -10.113 -5.235 1.00 1.43 H new ATOM 451 N ASP A 32 -1.803 -9.622 -5.900 1.00 0.66 N ATOM 452 CA ASP A 32 -2.241 -9.550 -7.287 1.00 0.83 C ATOM 453 C ASP A 32 -3.741 -9.227 -7.325 1.00 0.73 C ATOM 454 O ASP A 32 -4.334 -9.009 -8.382 1.00 0.96 O ATOM 455 CB ASP A 32 -1.921 -10.879 -7.989 1.00 1.10 C ATOM 456 CG ASP A 32 -2.097 -10.849 -9.487 1.00 1.70 C ATOM 457 OD1 ASP A 32 -1.195 -10.345 -10.205 1.00 2.33 O ATOM 458 OD2 ASP A 32 -3.165 -11.283 -9.976 1.00 2.26 O ATOM 0 H ASP A 32 -1.919 -10.539 -5.469 1.00 0.66 H new ATOM 0 HA ASP A 32 -1.714 -8.757 -7.817 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -0.892 -11.158 -7.761 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -2.561 -11.658 -7.575 1.00 1.10 H new ATOM 463 N LEU A 33 -4.321 -9.158 -6.142 1.00 0.50 N ATOM 464 CA LEU A 33 -5.713 -8.815 -5.956 1.00 0.50 C ATOM 465 C LEU A 33 -5.821 -7.279 -6.019 1.00 0.50 C ATOM 466 O LEU A 33 -4.801 -6.594 -6.030 1.00 0.78 O ATOM 467 CB LEU A 33 -6.182 -9.373 -4.590 1.00 0.49 C ATOM 468 CG LEU A 33 -7.668 -9.249 -4.230 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.526 -10.025 -5.216 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.910 -9.748 -2.807 1.00 0.70 C ATOM 0 H LEU A 33 -3.827 -9.343 -5.269 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.351 -9.247 -6.727 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.917 -10.430 -4.553 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.607 -8.873 -3.811 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.950 -8.197 -4.285 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.576 -9.924 -4.943 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.373 -9.631 -6.221 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.245 -11.078 -5.193 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.968 -9.655 -2.564 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.611 -10.794 -2.732 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.323 -9.152 -2.108 1.00 0.70 H new ATOM 482 N ARG A 34 -7.012 -6.735 -6.060 1.00 0.34 N ATOM 483 CA ARG A 34 -7.146 -5.299 -6.225 1.00 0.37 C ATOM 484 C ARG A 34 -7.759 -4.655 -5.005 1.00 0.35 C ATOM 485 O ARG A 34 -8.428 -5.320 -4.198 1.00 0.40 O ATOM 486 CB ARG A 34 -8.018 -4.978 -7.429 1.00 0.45 C ATOM 487 CG ARG A 34 -7.528 -5.530 -8.742 1.00 0.60 C ATOM 488 CD ARG A 34 -8.507 -5.192 -9.832 1.00 1.01 C ATOM 489 NE ARG A 34 -8.122 -5.733 -11.125 1.00 1.74 N ATOM 490 CZ ARG A 34 -8.768 -5.494 -12.256 1.00 2.51 C ATOM 491 NH1 ARG A 34 -9.836 -4.704 -12.257 1.00 2.74 N ATOM 492 NH2 ARG A 34 -8.340 -6.035 -13.394 1.00 3.50 N ATOM 0 H ARG A 34 -7.890 -7.248 -5.984 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.142 -4.901 -6.372 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.021 -5.362 -7.244 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.103 -3.895 -7.518 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -6.548 -5.115 -8.979 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.408 -6.611 -8.671 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -9.491 -5.575 -9.562 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -8.597 -4.109 -9.909 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.300 -6.336 -11.164 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -10.159 -4.281 -11.387 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -10.333 -4.520 -13.128 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -7.514 -6.634 -13.395 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -8.838 -5.851 -14.265 1.00 3.50 H new ATOM 506 N PHE A 35 -7.581 -3.352 -4.902 1.00 0.36 N ATOM 507 CA PHE A 35 -8.164 -2.556 -3.835 1.00 0.39 C ATOM 508 C PHE A 35 -9.672 -2.496 -4.015 1.00 0.47 C ATOM 509 O PHE A 35 -10.426 -2.355 -3.045 1.00 0.54 O ATOM 510 CB PHE A 35 -7.564 -1.142 -3.790 1.00 0.41 C ATOM 511 CG PHE A 35 -6.092 -1.115 -3.473 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.651 -1.141 -2.161 1.00 0.42 C ATOM 513 CD2 PHE A 35 -5.154 -1.067 -4.490 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.303 -1.116 -1.869 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.802 -1.041 -4.204 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.378 -1.067 -2.884 1.00 0.47 C ATOM 0 H PHE A 35 -7.023 -2.810 -5.562 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.932 -3.033 -2.883 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.728 -0.657 -4.753 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.098 -0.555 -3.043 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.371 -1.181 -1.357 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.482 -1.050 -5.519 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.974 -1.135 -0.841 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -3.079 -1.001 -5.005 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.323 -1.049 -2.654 1.00 0.47 H new ATOM 526 N GLU A 36 -10.093 -2.636 -5.272 1.00 0.57 N ATOM 527 CA GLU A 36 -11.504 -2.694 -5.652 1.00 0.76 C ATOM 528 C GLU A 36 -12.208 -3.818 -4.896 1.00 0.74 C ATOM 529 O GLU A 36 -13.338 -3.665 -4.436 1.00 0.87 O ATOM 530 CB GLU A 36 -11.644 -2.974 -7.158 1.00 0.97 C ATOM 531 CG GLU A 36 -10.887 -2.016 -8.053 1.00 1.31 C ATOM 532 CD GLU A 36 -11.055 -2.315 -9.528 1.00 1.56 C ATOM 533 OE1 GLU A 36 -11.056 -3.506 -9.926 1.00 2.06 O ATOM 534 OE2 GLU A 36 -11.148 -1.361 -10.335 1.00 1.81 O ATOM 0 H GLU A 36 -9.456 -2.713 -6.065 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.956 -1.733 -5.407 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.298 -3.988 -7.359 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.701 -2.940 -7.423 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -11.226 -0.999 -7.855 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -9.827 -2.054 -7.800 1.00 1.31 H new ATOM 541 N ASP A 37 -11.524 -4.938 -4.746 1.00 0.66 N ATOM 542 CA ASP A 37 -12.114 -6.117 -4.121 1.00 0.73 C ATOM 543 C ASP A 37 -12.031 -6.029 -2.611 1.00 0.73 C ATOM 544 O ASP A 37 -12.966 -6.396 -1.907 1.00 0.89 O ATOM 545 CB ASP A 37 -11.403 -7.378 -4.591 1.00 0.75 C ATOM 546 CG ASP A 37 -12.131 -8.640 -4.190 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.065 -9.050 -3.031 1.00 2.20 O ATOM 548 OD2 ASP A 37 -12.789 -9.248 -5.055 1.00 1.28 O ATOM 0 H ASP A 37 -10.557 -5.060 -5.048 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.163 -6.160 -4.415 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -11.302 -7.351 -5.676 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -10.395 -7.398 -4.177 1.00 0.75 H new ATOM 553 N ILE A 38 -10.923 -5.501 -2.118 1.00 0.63 N ATOM 554 CA ILE A 38 -10.690 -5.423 -0.673 1.00 0.68 C ATOM 555 C ILE A 38 -11.333 -4.187 -0.016 1.00 0.68 C ATOM 556 O ILE A 38 -10.983 -3.835 1.103 1.00 0.73 O ATOM 557 CB ILE A 38 -9.182 -5.517 -0.299 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.371 -4.414 -0.987 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.630 -6.888 -0.649 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.886 -4.443 -0.685 1.00 0.64 C ATOM 0 H ILE A 38 -10.169 -5.119 -2.689 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.191 -6.302 -0.266 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.093 -5.374 0.778 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.511 -4.496 -2.065 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.771 -3.446 -0.687 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.575 -6.935 -0.380 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.179 -7.652 -0.099 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.740 -7.062 -1.719 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.391 -3.628 -1.213 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.731 -4.328 0.388 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.467 -5.395 -1.012 1.00 0.64 H new ATOM 572 N GLY A 39 -12.302 -3.599 -0.703 1.00 0.69 N ATOM 573 CA GLY A 39 -13.060 -2.475 -0.178 1.00 0.77 C ATOM 574 C GLY A 39 -12.210 -1.273 0.207 1.00 0.65 C ATOM 575 O GLY A 39 -12.464 -0.629 1.230 1.00 0.74 O ATOM 0 H GLY A 39 -12.584 -3.888 -1.640 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.791 -2.164 -0.924 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.619 -2.806 0.697 1.00 0.77 H new ATOM 579 N TYR A 40 -11.210 -0.966 -0.589 1.00 0.52 N ATOM 580 CA TYR A 40 -10.369 0.171 -0.310 1.00 0.47 C ATOM 581 C TYR A 40 -10.831 1.420 -1.009 1.00 0.49 C ATOM 582 O TYR A 40 -11.224 1.396 -2.179 1.00 0.61 O ATOM 583 CB TYR A 40 -8.890 -0.111 -0.568 1.00 0.46 C ATOM 584 CG TYR A 40 -8.128 -0.462 0.688 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.230 -1.733 1.227 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.303 0.456 1.321 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.538 -2.085 2.356 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.595 0.111 2.457 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.742 -1.047 3.017 1.00 0.81 C ATOM 590 OH TYR A 40 -6.017 -1.539 4.083 1.00 1.02 O ATOM 0 H TYR A 40 -10.962 -1.487 -1.430 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.469 0.356 0.760 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.801 -0.931 -1.281 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.434 0.765 -1.030 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.868 -2.461 0.748 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -7.212 1.455 0.920 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -7.578 -3.092 2.745 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.905 0.822 2.886 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.803 -2.482 3.925 1.00 1.02 H new ATOM 600 N ASP A 41 -10.852 2.493 -0.258 1.00 0.48 N ATOM 601 CA ASP A 41 -11.242 3.796 -0.759 1.00 0.56 C ATOM 602 C ASP A 41 -9.971 4.588 -1.051 1.00 0.45 C ATOM 603 O ASP A 41 -8.867 4.138 -0.711 1.00 0.39 O ATOM 604 CB ASP A 41 -12.053 4.530 0.310 1.00 0.75 C ATOM 605 CG ASP A 41 -13.072 5.491 -0.257 1.00 1.11 C ATOM 606 OD1 ASP A 41 -12.717 6.377 -1.066 1.00 2.01 O ATOM 607 OD2 ASP A 41 -14.259 5.342 0.080 1.00 1.20 O ATOM 0 H ASP A 41 -10.597 2.491 0.730 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.846 3.690 -1.660 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.565 3.797 0.933 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.370 5.079 0.959 1.00 0.75 H new ATOM 612 N SER A 42 -10.118 5.770 -1.602 1.00 0.57 N ATOM 613 CA SER A 42 -8.981 6.598 -1.961 1.00 0.62 C ATOM 614 C SER A 42 -8.282 7.077 -0.693 1.00 0.53 C ATOM 615 O SER A 42 -7.059 6.958 -0.542 1.00 0.54 O ATOM 616 CB SER A 42 -9.477 7.786 -2.769 1.00 0.83 C ATOM 617 OG SER A 42 -10.506 8.510 -2.004 1.00 1.24 O ATOM 0 H SER A 42 -11.024 6.187 -1.815 1.00 0.57 H new ATOM 0 HA SER A 42 -8.271 6.025 -2.558 1.00 0.62 H new ATOM 0 HB2 SER A 42 -8.646 8.452 -3.002 1.00 0.83 H new ATOM 0 HB3 SER A 42 -9.888 7.446 -3.719 1.00 0.83 H new ATOM 0 HG SER A 42 -10.823 9.276 -2.526 1.00 1.24 H new ATOM 622 N LEU A 43 -9.097 7.574 0.223 1.00 0.53 N ATOM 623 CA LEU A 43 -8.673 8.094 1.512 1.00 0.54 C ATOM 624 C LEU A 43 -7.856 7.069 2.274 1.00 0.45 C ATOM 625 O LEU A 43 -6.795 7.382 2.809 1.00 0.47 O ATOM 626 CB LEU A 43 -9.901 8.493 2.325 1.00 0.68 C ATOM 627 CG LEU A 43 -10.814 9.544 1.682 1.00 0.83 C ATOM 628 CD1 LEU A 43 -12.017 9.805 2.566 1.00 1.00 C ATOM 629 CD2 LEU A 43 -10.046 10.824 1.435 1.00 0.90 C ATOM 0 H LEU A 43 -10.106 7.628 0.085 1.00 0.53 H new ATOM 0 HA LEU A 43 -8.043 8.967 1.344 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.491 7.597 2.520 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.567 8.872 3.291 1.00 0.68 H new ATOM 0 HG LEU A 43 -11.167 9.164 0.723 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.657 10.553 2.098 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.578 8.880 2.700 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.683 10.170 3.537 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.706 11.562 0.978 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.669 11.211 2.382 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -9.209 10.623 0.767 1.00 0.90 H new ATOM 641 N ALA A 44 -8.325 5.832 2.257 1.00 0.44 N ATOM 642 CA ALA A 44 -7.684 4.740 2.964 1.00 0.41 C ATOM 643 C ALA A 44 -6.298 4.439 2.397 1.00 0.35 C ATOM 644 O ALA A 44 -5.403 4.049 3.134 1.00 0.38 O ATOM 645 CB ALA A 44 -8.561 3.494 2.940 1.00 0.43 C ATOM 0 H ALA A 44 -9.166 5.558 1.749 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.553 5.050 4.001 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.061 2.687 3.476 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.515 3.712 3.419 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.734 3.191 1.907 1.00 0.43 H new ATOM 651 N LEU A 45 -6.108 4.643 1.104 1.00 0.34 N ATOM 652 CA LEU A 45 -4.811 4.413 0.497 1.00 0.33 C ATOM 653 C LEU A 45 -3.826 5.527 0.873 1.00 0.32 C ATOM 654 O LEU A 45 -2.651 5.265 1.101 1.00 0.36 O ATOM 655 CB LEU A 45 -4.947 4.240 -1.010 1.00 0.48 C ATOM 656 CG LEU A 45 -3.665 3.877 -1.803 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.673 3.063 -0.975 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.072 3.003 -2.905 1.00 0.37 C ATOM 0 H LEU A 45 -6.830 4.965 0.460 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.399 3.483 0.890 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.689 3.463 -1.195 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.347 5.167 -1.421 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.192 4.808 -2.116 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -1.794 2.837 -1.579 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.373 3.638 -0.099 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.143 2.133 -0.655 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.196 2.723 -3.490 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.542 2.105 -2.503 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -4.782 3.529 -3.543 1.00 0.37 H new ATOM 670 N MET A 46 -4.320 6.755 1.007 1.00 0.37 N ATOM 671 CA MET A 46 -3.458 7.892 1.432 1.00 0.46 C ATOM 672 C MET A 46 -2.955 7.574 2.817 1.00 0.48 C ATOM 673 O MET A 46 -1.775 7.706 3.135 1.00 0.54 O ATOM 674 CB MET A 46 -4.247 9.191 1.555 1.00 0.59 C ATOM 675 CG MET A 46 -5.246 9.432 0.480 1.00 0.54 C ATOM 676 SD MET A 46 -6.008 11.066 0.616 1.00 0.89 S ATOM 677 CE MET A 46 -6.578 11.027 2.319 1.00 1.84 C ATOM 0 H MET A 46 -5.294 7.002 0.834 1.00 0.37 H new ATOM 0 HA MET A 46 -2.668 8.019 0.692 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.763 9.194 2.515 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.544 10.024 1.568 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.762 9.338 -0.492 1.00 0.54 H new ATOM 0 HG3 MET A 46 -6.020 8.666 0.526 1.00 0.54 H new ATOM 0 HE1 MET A 46 -7.481 11.630 2.414 1.00 1.84 H new ATOM 0 HE2 MET A 46 -6.797 9.998 2.606 1.00 1.84 H new ATOM 0 HE3 MET A 46 -5.803 11.429 2.971 1.00 1.84 H new ATOM 687 N GLU A 47 -3.895 7.152 3.614 1.00 0.49 N ATOM 688 CA GLU A 47 -3.699 6.707 4.952 1.00 0.55 C ATOM 689 C GLU A 47 -2.676 5.547 5.020 1.00 0.54 C ATOM 690 O GLU A 47 -1.729 5.594 5.802 1.00 0.71 O ATOM 691 CB GLU A 47 -5.072 6.313 5.478 1.00 0.58 C ATOM 692 CG GLU A 47 -5.939 7.483 5.902 1.00 0.82 C ATOM 693 CD GLU A 47 -5.294 8.331 6.962 1.00 1.48 C ATOM 694 OE1 GLU A 47 -5.485 8.058 8.159 1.00 1.84 O ATOM 695 OE2 GLU A 47 -4.581 9.286 6.616 1.00 2.31 O ATOM 0 H GLU A 47 -4.872 7.109 3.324 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.271 7.493 5.574 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.596 5.749 4.706 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.944 5.644 6.329 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -6.158 8.101 5.032 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -6.892 7.107 6.274 1.00 0.82 H new ATOM 702 N THR A 48 -2.864 4.549 4.170 1.00 0.42 N ATOM 703 CA THR A 48 -1.948 3.414 4.037 1.00 0.42 C ATOM 704 C THR A 48 -0.519 3.909 3.695 1.00 0.39 C ATOM 705 O THR A 48 0.437 3.618 4.417 1.00 0.41 O ATOM 706 CB THR A 48 -2.481 2.470 2.915 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.754 1.935 3.304 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.519 1.314 2.599 1.00 0.45 C ATOM 0 H THR A 48 -3.666 4.499 3.542 1.00 0.42 H new ATOM 0 HA THR A 48 -1.898 2.870 4.980 1.00 0.42 H new ATOM 0 HB THR A 48 -2.574 3.070 2.010 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.457 2.589 3.108 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.944 0.692 1.811 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.562 1.717 2.267 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.367 0.712 3.495 1.00 0.45 H new ATOM 716 N ALA A 49 -0.410 4.675 2.610 1.00 0.39 N ATOM 717 CA ALA A 49 0.866 5.182 2.113 1.00 0.40 C ATOM 718 C ALA A 49 1.617 5.987 3.172 1.00 0.42 C ATOM 719 O ALA A 49 2.785 5.731 3.428 1.00 0.41 O ATOM 720 CB ALA A 49 0.653 6.026 0.861 1.00 0.43 C ATOM 0 H ALA A 49 -1.211 4.963 2.048 1.00 0.39 H new ATOM 0 HA ALA A 49 1.481 4.318 1.862 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.614 6.396 0.504 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.188 5.417 0.086 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.004 6.870 1.097 1.00 0.43 H new ATOM 726 N ALA A 50 0.927 6.918 3.818 1.00 0.46 N ATOM 727 CA ALA A 50 1.537 7.775 4.844 1.00 0.51 C ATOM 728 C ALA A 50 2.050 6.949 6.031 1.00 0.49 C ATOM 729 O ALA A 50 3.110 7.244 6.619 1.00 0.49 O ATOM 730 CB ALA A 50 0.537 8.810 5.322 1.00 0.62 C ATOM 0 H ALA A 50 -0.062 7.105 3.653 1.00 0.46 H new ATOM 0 HA ALA A 50 2.391 8.281 4.394 1.00 0.51 H new ATOM 0 HB1 ALA A 50 1.000 9.439 6.082 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.223 9.428 4.481 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.332 8.307 5.747 1.00 0.62 H new ATOM 736 N ARG A 51 1.323 5.894 6.347 1.00 0.51 N ATOM 737 CA ARG A 51 1.656 5.023 7.457 1.00 0.54 C ATOM 738 C ARG A 51 2.881 4.162 7.080 1.00 0.50 C ATOM 739 O ARG A 51 3.674 3.763 7.930 1.00 0.61 O ATOM 740 CB ARG A 51 0.403 4.196 7.828 1.00 0.62 C ATOM 741 CG ARG A 51 0.421 3.507 9.185 1.00 0.87 C ATOM 742 CD ARG A 51 1.097 2.147 9.173 1.00 1.36 C ATOM 743 NE ARG A 51 1.080 1.543 10.519 1.00 2.18 N ATOM 744 CZ ARG A 51 -0.002 1.031 11.141 1.00 3.05 C ATOM 745 NH1 ARG A 51 -1.189 0.974 10.514 1.00 3.48 N ATOM 746 NH2 ARG A 51 0.112 0.572 12.390 1.00 3.91 N ATOM 0 H ARG A 51 0.483 5.617 5.840 1.00 0.51 H new ATOM 0 HA ARG A 51 1.940 5.589 8.344 1.00 0.54 H new ATOM 0 HB2 ARG A 51 -0.464 4.856 7.792 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.257 3.435 7.061 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.932 4.150 9.902 1.00 0.87 H new ATOM 0 HG3 ARG A 51 -0.604 3.390 9.536 1.00 0.87 H new ATOM 0 HD2 ARG A 51 0.589 1.489 8.468 1.00 1.36 H new ATOM 0 HD3 ARG A 51 2.126 2.250 8.828 1.00 1.36 H new ATOM 0 HE ARG A 51 1.965 1.510 11.024 1.00 2.18 H new ATOM 0 HH11 ARG A 51 -1.278 1.320 9.559 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -2.001 0.585 10.993 1.00 3.48 H new ATOM 0 HH21 ARG A 51 1.013 0.610 12.867 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -0.702 0.183 12.867 1.00 3.91 H new ATOM 760 N LEU A 52 3.039 3.927 5.795 1.00 0.41 N ATOM 761 CA LEU A 52 4.196 3.226 5.269 1.00 0.39 C ATOM 762 C LEU A 52 5.398 4.155 5.212 1.00 0.36 C ATOM 763 O LEU A 52 6.501 3.786 5.626 1.00 0.38 O ATOM 764 CB LEU A 52 3.901 2.653 3.885 1.00 0.36 C ATOM 765 CG LEU A 52 2.851 1.552 3.836 1.00 0.39 C ATOM 766 CD1 LEU A 52 2.555 1.157 2.406 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.333 0.354 4.624 1.00 0.48 C ATOM 0 H LEU A 52 2.369 4.216 5.082 1.00 0.41 H new ATOM 0 HA LEU A 52 4.426 2.398 5.939 1.00 0.39 H new ATOM 0 HB2 LEU A 52 3.578 3.467 3.236 1.00 0.36 H new ATOM 0 HB3 LEU A 52 4.830 2.263 3.468 1.00 0.36 H new ATOM 0 HG LEU A 52 1.929 1.926 4.281 1.00 0.39 H new ATOM 0 HD11 LEU A 52 1.802 0.369 2.395 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.182 2.023 1.859 1.00 0.41 H new ATOM 0 HD13 LEU A 52 3.467 0.794 1.933 1.00 0.41 H new ATOM 0 HD21 LEU A 52 2.579 -0.433 4.587 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.264 -0.015 4.193 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.504 0.645 5.661 1.00 0.48 H new ATOM 779 N GLU A 53 5.173 5.371 4.723 1.00 0.35 N ATOM 780 CA GLU A 53 6.212 6.392 4.608 1.00 0.37 C ATOM 781 C GLU A 53 6.913 6.629 5.911 1.00 0.41 C ATOM 782 O GLU A 53 8.128 6.601 5.972 1.00 0.45 O ATOM 783 CB GLU A 53 5.653 7.710 4.088 1.00 0.40 C ATOM 784 CG GLU A 53 5.233 7.667 2.644 1.00 0.44 C ATOM 785 CD GLU A 53 4.779 9.002 2.125 1.00 0.56 C ATOM 786 OE1 GLU A 53 5.235 10.049 2.629 1.00 0.65 O ATOM 787 OE2 GLU A 53 4.034 9.030 1.158 1.00 0.91 O ATOM 0 H GLU A 53 4.258 5.679 4.393 1.00 0.35 H new ATOM 0 HA GLU A 53 6.935 6.007 3.889 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.795 7.995 4.697 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.406 8.488 4.214 1.00 0.40 H new ATOM 0 HG2 GLU A 53 6.068 7.313 2.039 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.425 6.944 2.528 1.00 0.44 H new ATOM 794 N SER A 54 6.147 6.776 6.950 1.00 0.45 N ATOM 795 CA SER A 54 6.666 7.059 8.260 1.00 0.54 C ATOM 796 C SER A 54 7.434 5.863 8.883 1.00 0.52 C ATOM 797 O SER A 54 8.231 6.038 9.814 1.00 0.62 O ATOM 798 CB SER A 54 5.539 7.570 9.141 1.00 0.69 C ATOM 799 OG SER A 54 4.387 6.740 9.011 1.00 1.38 O ATOM 0 H SER A 54 5.130 6.702 6.914 1.00 0.45 H new ATOM 0 HA SER A 54 7.420 7.841 8.173 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.864 7.591 10.181 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.289 8.594 8.864 1.00 0.69 H new ATOM 0 HG SER A 54 3.864 7.026 8.233 1.00 1.38 H new ATOM 805 N ARG A 55 7.184 4.645 8.385 1.00 0.53 N ATOM 806 CA ARG A 55 7.896 3.475 8.884 1.00 0.62 C ATOM 807 C ARG A 55 9.256 3.331 8.187 1.00 0.57 C ATOM 808 O ARG A 55 10.281 3.137 8.834 1.00 0.68 O ATOM 809 CB ARG A 55 7.079 2.162 8.691 1.00 0.78 C ATOM 810 CG ARG A 55 7.750 0.936 9.330 1.00 0.95 C ATOM 811 CD ARG A 55 7.025 -0.389 9.048 1.00 1.19 C ATOM 812 NE ARG A 55 7.646 -1.505 9.806 1.00 1.42 N ATOM 813 CZ ARG A 55 7.811 -2.800 9.393 1.00 1.79 C ATOM 814 NH1 ARG A 55 7.522 -3.181 8.146 1.00 1.97 N ATOM 815 NH2 ARG A 55 8.300 -3.702 10.242 1.00 2.41 N ATOM 0 H ARG A 55 6.505 4.451 7.649 1.00 0.53 H new ATOM 0 HA ARG A 55 8.043 3.630 9.953 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.086 2.292 9.122 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.942 1.980 7.625 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.774 0.863 8.965 1.00 0.95 H new ATOM 0 HG3 ARG A 55 7.806 1.086 10.408 1.00 0.95 H new ATOM 0 HD2 ARG A 55 5.974 -0.298 9.322 1.00 1.19 H new ATOM 0 HD3 ARG A 55 7.058 -0.606 7.980 1.00 1.19 H new ATOM 0 HE ARG A 55 7.988 -1.281 10.740 1.00 1.42 H new ATOM 0 HH11 ARG A 55 7.169 -2.500 7.474 1.00 1.97 H new ATOM 0 HH12 ARG A 55 7.655 -4.153 7.866 1.00 1.97 H new ATOM 0 HH21 ARG A 55 8.548 -3.426 11.192 1.00 2.41 H new ATOM 0 HH22 ARG A 55 8.426 -4.669 9.942 1.00 2.41 H new ATOM 829 N TYR A 56 9.260 3.453 6.867 1.00 0.49 N ATOM 830 CA TYR A 56 10.471 3.174 6.091 1.00 0.54 C ATOM 831 C TYR A 56 11.279 4.434 5.794 1.00 0.53 C ATOM 832 O TYR A 56 12.505 4.384 5.699 1.00 0.71 O ATOM 833 CB TYR A 56 10.114 2.447 4.784 1.00 0.57 C ATOM 834 CG TYR A 56 9.227 1.248 5.018 1.00 0.68 C ATOM 835 CD1 TYR A 56 9.719 0.122 5.655 1.00 0.94 C ATOM 836 CD2 TYR A 56 7.923 1.218 4.548 1.00 0.66 C ATOM 837 CE1 TYR A 56 8.945 -1.001 5.818 1.00 1.09 C ATOM 838 CE2 TYR A 56 7.135 0.101 4.720 1.00 0.82 C ATOM 839 CZ TYR A 56 7.545 -0.892 5.536 1.00 1.02 C ATOM 840 OH TYR A 56 6.892 -2.151 5.488 1.00 1.20 O ATOM 0 H TYR A 56 8.453 3.739 6.313 1.00 0.49 H new ATOM 0 HA TYR A 56 11.100 2.528 6.703 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.612 3.141 4.110 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.030 2.127 4.287 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.731 0.126 6.031 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.520 2.082 4.040 1.00 0.66 H new ATOM 0 HE1 TYR A 56 9.377 -1.934 6.148 1.00 1.09 H new ATOM 0 HE2 TYR A 56 6.191 0.020 4.202 1.00 0.82 H new ATOM 0 HH TYR A 56 5.941 -2.019 5.293 1.00 1.20 H new ATOM 850 N GLY A 57 10.610 5.550 5.687 1.00 0.44 N ATOM 851 CA GLY A 57 11.280 6.773 5.325 1.00 0.45 C ATOM 852 C GLY A 57 11.169 7.018 3.847 1.00 0.45 C ATOM 853 O GLY A 57 12.155 7.315 3.174 1.00 0.60 O ATOM 0 H GLY A 57 9.606 5.640 5.844 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.843 7.609 5.872 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.330 6.718 5.612 1.00 0.45 H new ATOM 857 N VAL A 58 9.967 6.862 3.332 1.00 0.37 N ATOM 858 CA VAL A 58 9.728 7.063 1.921 1.00 0.39 C ATOM 859 C VAL A 58 8.815 8.254 1.717 1.00 0.40 C ATOM 860 O VAL A 58 8.441 8.918 2.692 1.00 0.42 O ATOM 861 CB VAL A 58 9.184 5.790 1.184 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.174 4.651 1.277 1.00 0.49 C ATOM 863 CG2 VAL A 58 7.836 5.346 1.733 1.00 0.38 C ATOM 0 H VAL A 58 9.142 6.597 3.870 1.00 0.37 H new ATOM 0 HA VAL A 58 10.696 7.266 1.462 1.00 0.39 H new ATOM 0 HB VAL A 58 9.048 6.064 0.138 1.00 0.41 H new ATOM 0 HG11 VAL A 58 9.775 3.779 0.759 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.115 4.949 0.815 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.346 4.403 2.324 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.497 4.461 1.194 1.00 0.38 H new ATOM 0 HG22 VAL A 58 7.935 5.109 2.792 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.109 6.149 1.607 1.00 0.38 H new ATOM 873 N SER A 59 8.465 8.537 0.481 1.00 0.46 N ATOM 874 CA SER A 59 7.562 9.615 0.158 1.00 0.56 C ATOM 875 C SER A 59 6.861 9.325 -1.171 1.00 0.54 C ATOM 876 O SER A 59 7.515 9.203 -2.225 1.00 0.61 O ATOM 877 CB SER A 59 8.323 10.956 0.094 1.00 0.79 C ATOM 878 OG SER A 59 8.969 11.249 1.340 1.00 1.33 O ATOM 0 H SER A 59 8.802 8.021 -0.332 1.00 0.46 H new ATOM 0 HA SER A 59 6.808 9.692 0.941 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.066 10.917 -0.703 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.629 11.759 -0.156 1.00 0.79 H new ATOM 0 HG SER A 59 9.444 12.103 1.269 1.00 1.33 H new ATOM 884 N ILE A 60 5.563 9.149 -1.111 1.00 0.48 N ATOM 885 CA ILE A 60 4.757 8.913 -2.270 1.00 0.46 C ATOM 886 C ILE A 60 3.755 10.057 -2.406 1.00 0.50 C ATOM 887 O ILE A 60 2.974 10.312 -1.486 1.00 0.58 O ATOM 888 CB ILE A 60 3.979 7.557 -2.173 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.951 6.371 -2.063 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.060 7.372 -3.382 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.270 5.031 -1.879 1.00 1.13 C ATOM 0 H ILE A 60 5.035 9.167 -0.239 1.00 0.48 H new ATOM 0 HA ILE A 60 5.412 8.859 -3.139 1.00 0.46 H new ATOM 0 HB ILE A 60 3.368 7.588 -1.271 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.566 6.334 -2.962 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.624 6.543 -1.223 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.529 6.424 -3.294 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.339 8.189 -3.420 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.656 7.371 -4.295 1.00 0.43 H new ATOM 0 HD11 ILE A 60 5.023 4.246 -1.810 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.677 5.047 -0.964 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.618 4.834 -2.730 1.00 1.13 H new ATOM 903 N PRO A 61 3.801 10.802 -3.521 1.00 0.52 N ATOM 904 CA PRO A 61 2.829 11.857 -3.785 1.00 0.58 C ATOM 905 C PRO A 61 1.405 11.303 -3.841 1.00 0.52 C ATOM 906 O PRO A 61 1.184 10.159 -4.295 1.00 0.45 O ATOM 907 CB PRO A 61 3.252 12.407 -5.152 1.00 0.63 C ATOM 908 CG PRO A 61 4.683 12.033 -5.276 1.00 0.65 C ATOM 909 CD PRO A 61 4.815 10.711 -4.579 1.00 0.56 C ATOM 0 HA PRO A 61 2.818 12.617 -3.004 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.657 11.973 -5.956 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.118 13.488 -5.204 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.979 11.956 -6.322 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.326 12.784 -4.817 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.623 9.877 -5.253 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.815 10.567 -4.170 1.00 0.56 H new ATOM 917 N ASP A 62 0.464 12.118 -3.400 1.00 0.64 N ATOM 918 CA ASP A 62 -0.977 11.795 -3.310 1.00 0.72 C ATOM 919 C ASP A 62 -1.460 11.249 -4.634 1.00 0.61 C ATOM 920 O ASP A 62 -2.108 10.197 -4.691 1.00 0.65 O ATOM 921 CB ASP A 62 -1.782 13.075 -3.012 1.00 1.00 C ATOM 922 CG ASP A 62 -1.169 13.934 -1.935 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.197 14.656 -2.200 1.00 1.40 O ATOM 924 OD2 ASP A 62 -1.679 13.904 -0.782 1.00 1.97 O ATOM 0 H ASP A 62 0.675 13.063 -3.079 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.118 11.061 -2.516 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -1.870 13.661 -3.927 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -2.793 12.798 -2.713 1.00 1.00 H new ATOM 929 N ASP A 63 -1.106 11.973 -5.701 1.00 0.57 N ATOM 930 CA ASP A 63 -1.447 11.603 -7.088 1.00 0.62 C ATOM 931 C ASP A 63 -1.038 10.178 -7.386 1.00 0.52 C ATOM 932 O ASP A 63 -1.838 9.373 -7.829 1.00 0.65 O ATOM 933 CB ASP A 63 -0.731 12.531 -8.074 1.00 0.78 C ATOM 934 CG ASP A 63 -0.929 12.137 -9.540 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.913 12.592 -10.175 1.00 1.94 O ATOM 936 OD2 ASP A 63 -0.137 11.319 -10.065 1.00 1.87 O ATOM 0 H ASP A 63 -0.571 12.839 -5.631 1.00 0.57 H new ATOM 0 HA ASP A 63 -2.527 11.699 -7.199 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -1.091 13.550 -7.928 1.00 0.78 H new ATOM 0 HB3 ASP A 63 0.335 12.534 -7.848 1.00 0.78 H new ATOM 941 N VAL A 64 0.200 9.877 -7.059 1.00 0.42 N ATOM 942 CA VAL A 64 0.809 8.601 -7.342 1.00 0.39 C ATOM 943 C VAL A 64 0.087 7.458 -6.607 1.00 0.33 C ATOM 944 O VAL A 64 -0.245 6.439 -7.234 1.00 0.37 O ATOM 945 CB VAL A 64 2.324 8.627 -6.978 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.980 7.286 -7.243 1.00 0.55 C ATOM 947 CG2 VAL A 64 3.039 9.714 -7.765 1.00 0.56 C ATOM 0 H VAL A 64 0.822 10.528 -6.579 1.00 0.42 H new ATOM 0 HA VAL A 64 0.714 8.414 -8.412 1.00 0.39 H new ATOM 0 HB VAL A 64 2.404 8.841 -5.912 1.00 0.46 H new ATOM 0 HG11 VAL A 64 4.036 7.339 -6.978 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.493 6.518 -6.642 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.883 7.036 -8.299 1.00 0.55 H new ATOM 0 HG21 VAL A 64 4.096 9.720 -7.500 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.934 9.520 -8.832 1.00 0.56 H new ATOM 0 HG23 VAL A 64 2.600 10.683 -7.528 1.00 0.56 H new ATOM 957 N ALA A 65 -0.147 7.637 -5.297 1.00 0.35 N ATOM 958 CA ALA A 65 -0.812 6.637 -4.453 1.00 0.38 C ATOM 959 C ALA A 65 -2.161 6.217 -5.026 1.00 0.43 C ATOM 960 O ALA A 65 -2.449 5.030 -5.146 1.00 0.47 O ATOM 961 CB ALA A 65 -1.013 7.182 -3.036 1.00 0.44 C ATOM 0 H ALA A 65 0.121 8.483 -4.794 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.164 5.761 -4.424 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.507 6.428 -2.423 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.045 7.427 -2.600 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -1.630 8.079 -3.076 1.00 0.44 H new ATOM 967 N GLY A 66 -2.947 7.193 -5.448 1.00 0.49 N ATOM 968 CA GLY A 66 -4.294 6.912 -5.912 1.00 0.59 C ATOM 969 C GLY A 66 -4.371 6.385 -7.341 1.00 0.53 C ATOM 970 O GLY A 66 -5.435 6.403 -7.942 1.00 0.69 O ATOM 0 H GLY A 66 -2.679 8.177 -5.479 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -4.751 6.182 -5.243 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -4.887 7.824 -5.841 1.00 0.59 H new ATOM 974 N ARG A 67 -3.268 5.933 -7.891 1.00 0.45 N ATOM 975 CA ARG A 67 -3.275 5.412 -9.236 1.00 0.45 C ATOM 976 C ARG A 67 -3.084 3.908 -9.252 1.00 0.39 C ATOM 977 O ARG A 67 -3.240 3.287 -10.296 1.00 0.51 O ATOM 978 CB ARG A 67 -2.157 6.018 -10.047 1.00 0.56 C ATOM 979 CG ARG A 67 -2.179 7.513 -10.156 1.00 1.08 C ATOM 980 CD ARG A 67 -0.987 8.000 -10.941 1.00 1.48 C ATOM 981 NE ARG A 67 0.269 7.401 -10.454 1.00 2.15 N ATOM 982 CZ ARG A 67 1.466 7.547 -11.042 1.00 2.93 C ATOM 983 NH1 ARG A 67 1.636 8.459 -11.986 1.00 3.24 N ATOM 984 NH2 ARG A 67 2.496 6.817 -10.641 1.00 3.83 N ATOM 0 H ARG A 67 -2.359 5.916 -7.429 1.00 0.45 H new ATOM 0 HA ARG A 67 -4.245 5.667 -9.663 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.207 5.717 -9.606 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -2.190 5.597 -11.052 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -3.099 7.835 -10.643 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -2.173 7.957 -9.160 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -1.121 7.757 -11.995 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -0.924 9.086 -10.870 1.00 1.48 H new ATOM 0 HE ARG A 67 0.225 6.834 -9.607 1.00 2.15 H new ATOM 0 HH11 ARG A 67 0.856 9.053 -12.268 1.00 3.24 H new ATOM 0 HH12 ARG A 67 2.547 8.568 -12.432 1.00 3.24 H new ATOM 0 HH21 ARG A 67 2.380 6.143 -9.884 1.00 3.83 H new ATOM 0 HH22 ARG A 67 3.406 6.929 -11.089 1.00 3.83 H new ATOM 998 N VAL A 68 -2.738 3.318 -8.127 1.00 0.35 N ATOM 999 CA VAL A 68 -2.424 1.903 -8.153 1.00 0.34 C ATOM 1000 C VAL A 68 -3.658 1.013 -8.162 1.00 0.39 C ATOM 1001 O VAL A 68 -4.704 1.354 -7.587 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.415 1.455 -7.074 1.00 0.32 C ATOM 1003 CG1 VAL A 68 -0.087 2.158 -7.280 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.934 1.697 -5.669 1.00 0.36 C ATOM 0 H VAL A 68 -2.668 3.773 -7.217 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.920 1.767 -9.110 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.274 0.380 -7.181 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.618 1.835 -6.514 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.308 1.908 -8.265 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.231 3.236 -7.209 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.190 1.366 -4.944 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.127 2.761 -5.531 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.858 1.138 -5.521 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.529 -0.115 -8.814 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.621 -1.072 -8.969 1.00 0.49 C ATOM 1016 C ASP A 69 -4.470 -2.181 -7.973 1.00 0.40 C ATOM 1017 O ASP A 69 -5.424 -2.584 -7.306 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.586 -1.652 -10.391 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.613 -2.716 -10.679 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -6.832 -2.451 -10.456 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -5.230 -3.850 -11.035 1.00 0.86 O ATOM 0 H ASP A 69 -2.659 -0.407 -9.260 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.572 -0.567 -8.800 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.723 -0.837 -11.101 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.595 -2.069 -10.571 1.00 0.68 H new ATOM 1026 N THR A 70 -3.269 -2.654 -7.863 1.00 0.38 N ATOM 1027 CA THR A 70 -2.958 -3.771 -7.022 1.00 0.35 C ATOM 1028 C THR A 70 -1.860 -3.389 -6.004 1.00 0.33 C ATOM 1029 O THR A 70 -1.025 -2.500 -6.286 1.00 0.33 O ATOM 1030 CB THR A 70 -2.480 -4.939 -7.921 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.368 -4.491 -8.728 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.597 -5.382 -8.849 1.00 0.47 C ATOM 0 H THR A 70 -2.465 -2.272 -8.360 1.00 0.38 H new ATOM 0 HA THR A 70 -3.843 -4.072 -6.461 1.00 0.35 H new ATOM 0 HB THR A 70 -2.183 -5.773 -7.285 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.623 -3.679 -9.214 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.246 -6.203 -9.474 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.450 -5.715 -8.258 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.897 -4.547 -9.482 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.844 -4.025 -4.799 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.839 -3.766 -3.755 1.00 0.33 C ATOM 1042 C PRO A 71 0.598 -3.918 -4.261 1.00 0.29 C ATOM 1043 O PRO A 71 1.501 -3.239 -3.782 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.144 -4.822 -2.696 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.589 -5.084 -2.858 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.847 -5.005 -4.336 1.00 0.39 C ATOM 0 HA PRO A 71 -0.898 -2.741 -3.388 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.555 -5.726 -2.852 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.914 -4.460 -1.694 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.857 -6.065 -2.465 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.184 -4.350 -2.316 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.718 -5.973 -4.820 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.863 -4.674 -4.551 1.00 0.39 H new ATOM 1054 N ARG A 72 0.802 -4.784 -5.255 1.00 0.31 N ATOM 1055 CA ARG A 72 2.129 -4.968 -5.846 1.00 0.31 C ATOM 1056 C ARG A 72 2.674 -3.692 -6.485 1.00 0.29 C ATOM 1057 O ARG A 72 3.879 -3.483 -6.526 1.00 0.31 O ATOM 1058 CB ARG A 72 2.186 -6.161 -6.811 1.00 0.36 C ATOM 1059 CG ARG A 72 0.950 -6.359 -7.666 1.00 0.48 C ATOM 1060 CD ARG A 72 1.136 -7.482 -8.667 1.00 0.58 C ATOM 1061 NE ARG A 72 1.725 -7.002 -9.912 1.00 1.01 N ATOM 1062 CZ ARG A 72 3.023 -7.044 -10.259 1.00 1.40 C ATOM 1063 NH1 ARG A 72 3.957 -7.462 -9.395 1.00 1.35 N ATOM 1064 NH2 ARG A 72 3.382 -6.656 -11.476 1.00 2.47 N ATOM 0 H ARG A 72 0.071 -5.365 -5.666 1.00 0.31 H new ATOM 0 HA ARG A 72 2.792 -5.206 -5.014 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.047 -6.035 -7.468 1.00 0.36 H new ATOM 0 HB3 ARG A 72 2.357 -7.068 -6.232 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.096 -6.580 -7.026 1.00 0.48 H new ATOM 0 HG3 ARG A 72 0.721 -5.434 -8.195 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.775 -8.252 -8.235 1.00 0.58 H new ATOM 0 HD3 ARG A 72 0.173 -7.947 -8.876 1.00 0.58 H new ATOM 0 HE ARG A 72 1.084 -6.591 -10.591 1.00 1.01 H new ATOM 0 HH11 ARG A 72 3.688 -7.755 -8.456 1.00 1.35 H new ATOM 0 HH12 ARG A 72 4.937 -7.487 -9.676 1.00 1.35 H new ATOM 0 HH21 ARG A 72 2.676 -6.330 -12.136 1.00 2.47 H new ATOM 0 HH22 ARG A 72 4.364 -6.683 -11.751 1.00 2.47 H new ATOM 1078 N GLU A 73 1.796 -2.837 -6.939 1.00 0.28 N ATOM 1079 CA GLU A 73 2.202 -1.576 -7.528 1.00 0.28 C ATOM 1080 C GLU A 73 2.583 -0.593 -6.432 1.00 0.25 C ATOM 1081 O GLU A 73 3.556 0.138 -6.550 1.00 0.25 O ATOM 1082 CB GLU A 73 1.083 -1.025 -8.357 1.00 0.33 C ATOM 1083 CG GLU A 73 0.723 -1.889 -9.533 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.539 -1.435 -10.159 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -0.487 -0.463 -10.918 1.00 1.24 O ATOM 1086 OE2 GLU A 73 -1.578 -2.076 -9.963 1.00 2.06 O ATOM 0 H GLU A 73 0.787 -2.987 -6.914 1.00 0.28 H new ATOM 0 HA GLU A 73 3.069 -1.737 -8.168 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.203 -0.899 -7.726 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.362 -0.035 -8.716 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.528 -1.863 -10.268 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.621 -2.925 -9.210 1.00 0.45 H new ATOM 1093 N LEU A 74 1.817 -0.625 -5.344 1.00 0.27 N ATOM 1094 CA LEU A 74 2.065 0.204 -4.156 1.00 0.27 C ATOM 1095 C LEU A 74 3.457 -0.162 -3.637 1.00 0.25 C ATOM 1096 O LEU A 74 4.289 0.687 -3.342 1.00 0.25 O ATOM 1097 CB LEU A 74 1.035 -0.175 -3.076 1.00 0.30 C ATOM 1098 CG LEU A 74 0.710 0.845 -1.946 1.00 0.34 C ATOM 1099 CD1 LEU A 74 -0.291 0.244 -0.979 1.00 0.98 C ATOM 1100 CD2 LEU A 74 1.943 1.309 -1.190 1.00 1.00 C ATOM 0 H LEU A 74 1.000 -1.229 -5.256 1.00 0.27 H new ATOM 0 HA LEU A 74 1.992 1.266 -4.391 1.00 0.27 H new ATOM 0 HB2 LEU A 74 0.100 -0.412 -3.583 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.381 -1.093 -2.600 1.00 0.30 H new ATOM 0 HG LEU A 74 0.285 1.725 -2.429 1.00 0.34 H new ATOM 0 HD11 LEU A 74 -0.513 0.964 -0.191 1.00 0.98 H new ATOM 0 HD12 LEU A 74 -1.208 -0.005 -1.513 1.00 0.98 H new ATOM 0 HD13 LEU A 74 0.128 -0.660 -0.537 1.00 0.98 H new ATOM 0 HD21 LEU A 74 1.650 2.018 -0.416 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.432 0.451 -0.729 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.634 1.792 -1.882 1.00 1.00 H new ATOM 1112 N LEU A 75 3.666 -1.454 -3.567 1.00 0.29 N ATOM 1113 CA LEU A 75 4.890 -2.082 -3.137 1.00 0.34 C ATOM 1114 C LEU A 75 6.089 -1.566 -3.956 1.00 0.29 C ATOM 1115 O LEU A 75 7.145 -1.224 -3.402 1.00 0.30 O ATOM 1116 CB LEU A 75 4.692 -3.574 -3.357 1.00 0.49 C ATOM 1117 CG LEU A 75 5.805 -4.490 -2.963 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.974 -4.511 -1.460 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.556 -5.873 -3.504 1.00 0.90 C ATOM 0 H LEU A 75 2.947 -2.131 -3.822 1.00 0.29 H new ATOM 0 HA LEU A 75 5.106 -1.857 -2.093 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.799 -3.878 -2.811 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.487 -3.732 -4.416 1.00 0.49 H new ATOM 0 HG LEU A 75 6.734 -4.118 -3.394 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.789 -5.184 -1.195 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.203 -3.506 -1.106 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.051 -4.858 -0.995 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.374 -6.531 -3.210 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.619 -6.257 -3.102 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.495 -5.833 -4.592 1.00 0.90 H new ATOM 1131 N ASP A 76 5.880 -1.454 -5.260 1.00 0.29 N ATOM 1132 CA ASP A 76 6.902 -0.994 -6.195 1.00 0.33 C ATOM 1133 C ASP A 76 7.207 0.480 -5.954 1.00 0.29 C ATOM 1134 O ASP A 76 8.366 0.916 -6.035 1.00 0.33 O ATOM 1135 CB ASP A 76 6.432 -1.214 -7.638 1.00 0.40 C ATOM 1136 CG ASP A 76 7.451 -0.801 -8.678 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.333 -1.611 -9.032 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.413 0.350 -9.138 1.00 0.63 O ATOM 0 H ASP A 76 4.990 -1.681 -5.704 1.00 0.29 H new ATOM 0 HA ASP A 76 7.814 -1.569 -6.034 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.192 -2.268 -7.776 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.512 -0.653 -7.801 1.00 0.40 H new ATOM 1143 N LEU A 77 6.160 1.236 -5.627 1.00 0.25 N ATOM 1144 CA LEU A 77 6.275 2.659 -5.309 1.00 0.25 C ATOM 1145 C LEU A 77 7.138 2.855 -4.074 1.00 0.26 C ATOM 1146 O LEU A 77 7.997 3.752 -4.040 1.00 0.32 O ATOM 1147 CB LEU A 77 4.902 3.270 -5.033 1.00 0.26 C ATOM 1148 CG LEU A 77 3.880 3.239 -6.157 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.587 3.891 -5.689 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.419 3.927 -7.399 1.00 0.38 C ATOM 0 H LEU A 77 5.206 0.879 -5.575 1.00 0.25 H new ATOM 0 HA LEU A 77 6.729 3.151 -6.169 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.472 2.756 -4.174 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.049 4.310 -4.741 1.00 0.26 H new ATOM 0 HG LEU A 77 3.675 2.201 -6.421 1.00 0.31 H new ATOM 0 HD11 LEU A 77 1.855 3.868 -6.496 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.196 3.347 -4.829 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.783 4.925 -5.406 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.669 3.891 -8.189 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.653 4.966 -7.167 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.323 3.418 -7.734 1.00 0.38 H new ATOM 1162 N ILE A 78 6.887 2.021 -3.067 1.00 0.25 N ATOM 1163 CA ILE A 78 7.632 2.028 -1.813 1.00 0.29 C ATOM 1164 C ILE A 78 9.098 1.805 -2.102 1.00 0.34 C ATOM 1165 O ILE A 78 9.915 2.678 -1.851 1.00 0.40 O ATOM 1166 CB ILE A 78 7.128 0.911 -0.842 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.666 1.146 -0.434 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.021 0.807 0.409 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.435 2.431 0.337 1.00 0.46 C ATOM 0 H ILE A 78 6.152 1.314 -3.101 1.00 0.25 H new ATOM 0 HA ILE A 78 7.479 2.995 -1.333 1.00 0.29 H new ATOM 0 HB ILE A 78 7.187 -0.034 -1.382 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.047 1.158 -1.331 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.330 0.306 0.174 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.642 0.021 1.062 1.00 0.43 H new ATOM 0 HG22 ILE A 78 9.041 0.569 0.109 1.00 0.43 H new ATOM 0 HG23 ILE A 78 8.012 1.758 0.942 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.378 2.521 0.587 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.024 2.416 1.254 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.737 3.281 -0.274 1.00 0.46 H new ATOM 1181 N ASN A 79 9.411 0.642 -2.653 1.00 0.37 N ATOM 1182 CA ASN A 79 10.792 0.245 -2.956 1.00 0.46 C ATOM 1183 C ASN A 79 11.505 1.267 -3.829 1.00 0.40 C ATOM 1184 O ASN A 79 12.669 1.614 -3.579 1.00 0.45 O ATOM 1185 CB ASN A 79 10.854 -1.159 -3.580 1.00 0.62 C ATOM 1186 CG ASN A 79 10.388 -2.238 -2.611 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.489 -2.075 -1.401 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.945 -3.354 -3.121 1.00 0.56 N ATOM 0 H ASN A 79 8.717 -0.061 -2.906 1.00 0.37 H new ATOM 0 HA ASN A 79 11.323 0.209 -2.005 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.234 -1.185 -4.476 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.876 -1.371 -3.894 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.671 -4.122 -2.508 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.873 -3.459 -4.133 1.00 0.56 H new ATOM 1195 N GLY A 80 10.781 1.798 -4.806 1.00 0.38 N ATOM 1196 CA GLY A 80 11.324 2.814 -5.686 1.00 0.41 C ATOM 1197 C GLY A 80 11.754 4.074 -4.938 1.00 0.45 C ATOM 1198 O GLY A 80 12.785 4.664 -5.251 1.00 0.55 O ATOM 0 H GLY A 80 9.815 1.539 -5.006 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.180 2.405 -6.222 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.576 3.078 -6.434 1.00 0.41 H new ATOM 1202 N ALA A 81 10.976 4.469 -3.945 1.00 0.44 N ATOM 1203 CA ALA A 81 11.288 5.652 -3.142 1.00 0.51 C ATOM 1204 C ALA A 81 12.309 5.317 -2.066 1.00 0.54 C ATOM 1205 O ALA A 81 13.141 6.143 -1.700 1.00 0.69 O ATOM 1206 CB ALA A 81 10.020 6.202 -2.502 1.00 0.52 C ATOM 0 H ALA A 81 10.119 3.989 -3.670 1.00 0.44 H new ATOM 0 HA ALA A 81 11.713 6.410 -3.800 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.265 7.082 -1.907 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.309 6.477 -3.281 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.577 5.441 -1.859 1.00 0.52 H new ATOM 1212 N LEU A 82 12.241 4.097 -1.573 1.00 0.44 N ATOM 1213 CA LEU A 82 13.098 3.612 -0.531 1.00 0.50 C ATOM 1214 C LEU A 82 14.548 3.582 -0.987 1.00 0.60 C ATOM 1215 O LEU A 82 15.454 3.860 -0.211 1.00 0.70 O ATOM 1216 CB LEU A 82 12.630 2.227 -0.125 1.00 0.48 C ATOM 1217 CG LEU A 82 13.410 1.546 0.971 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.347 2.338 2.279 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.910 0.133 1.166 1.00 0.66 C ATOM 0 H LEU A 82 11.568 3.404 -1.900 1.00 0.44 H new ATOM 0 HA LEU A 82 13.044 4.283 0.326 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.589 2.298 0.191 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.652 1.587 -1.007 1.00 0.48 H new ATOM 0 HG LEU A 82 14.456 1.506 0.669 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.920 1.818 3.047 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.767 3.332 2.123 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.309 2.429 2.600 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.481 -0.349 1.960 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.855 0.155 1.439 1.00 0.66 H new ATOM 0 HD23 LEU A 82 13.033 -0.428 0.239 1.00 0.66 H new ATOM 1231 N ALA A 83 14.752 3.293 -2.263 1.00 0.64 N ATOM 1232 CA ALA A 83 16.083 3.262 -2.863 1.00 0.79 C ATOM 1233 C ALA A 83 16.760 4.646 -2.816 1.00 0.95 C ATOM 1234 O ALA A 83 17.985 4.758 -2.932 1.00 1.13 O ATOM 1235 CB ALA A 83 15.991 2.761 -4.293 1.00 0.86 C ATOM 0 H ALA A 83 14.000 3.072 -2.916 1.00 0.64 H new ATOM 0 HA ALA A 83 16.702 2.578 -2.282 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.987 2.740 -4.736 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.569 1.756 -4.300 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.351 3.427 -4.871 1.00 0.86 H new ATOM 1241 N GLU A 84 15.962 5.682 -2.628 1.00 0.95 N ATOM 1242 CA GLU A 84 16.438 7.033 -2.558 1.00 1.17 C ATOM 1243 C GLU A 84 16.755 7.427 -1.117 1.00 1.25 C ATOM 1244 O GLU A 84 17.229 8.536 -0.858 1.00 1.52 O ATOM 1245 CB GLU A 84 15.361 7.954 -3.097 1.00 1.23 C ATOM 1246 CG GLU A 84 15.020 7.737 -4.559 1.00 1.40 C ATOM 1247 CD GLU A 84 16.155 8.099 -5.471 1.00 1.80 C ATOM 1248 OE1 GLU A 84 17.006 7.225 -5.726 1.00 2.47 O ATOM 1249 OE2 GLU A 84 16.226 9.252 -5.948 1.00 2.17 O ATOM 0 H GLU A 84 14.951 5.597 -2.519 1.00 0.95 H new ATOM 0 HA GLU A 84 17.351 7.117 -3.148 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.457 7.821 -2.503 1.00 1.23 H new ATOM 0 HB3 GLU A 84 15.683 8.987 -2.962 1.00 1.23 H new ATOM 0 HG2 GLU A 84 14.751 6.692 -4.715 1.00 1.40 H new ATOM 0 HG3 GLU A 84 14.145 8.334 -4.818 1.00 1.40 H new