USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 GLN :FLIP amide:sc= 0 F(o=0.43,f=1.2) USER MOD Set 1.2: A 31 THR OG1 : rot 156:sc= 1.16 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 16:sc= 0.141 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -2.27 K(o=-2.3,f=-8.3!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc=-0.00849 (180deg=-0.246) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.152 F(o=-2.6,f=-0.15) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.02 K(o=-2,f=-3.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 72 THR OG1 : rot -36:sc= 0.0458 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 70:sc= -1.46 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.473 -5.270 -14.179 1.00 0.00 N ATOM 82 CA TYR A 6 4.107 -4.974 -14.729 1.00 0.00 C ATOM 83 C TYR A 6 3.778 -3.494 -14.519 1.00 0.00 C ATOM 84 O TYR A 6 4.180 -2.910 -13.529 1.00 0.00 O ATOM 85 CB TYR A 6 3.018 -5.829 -14.003 1.00 0.00 C ATOM 86 CG TYR A 6 3.601 -7.056 -13.282 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.395 -7.960 -13.959 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.339 -7.265 -11.942 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.916 -9.053 -13.303 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.861 -8.360 -11.288 1.00 0.00 C ATOM 91 CZ TYR A 6 4.656 -9.262 -11.965 1.00 0.00 C ATOM 92 OH TYR A 6 5.183 -10.361 -11.317 1.00 0.00 O ATOM 0 HA TYR A 6 4.109 -5.219 -15.791 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.495 -5.203 -13.279 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.278 -6.160 -14.732 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.608 -7.809 -15.007 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.720 -6.564 -11.402 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.535 -9.754 -13.843 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.647 -8.513 -10.241 1.00 0.00 H new ATOM 0 HH TYR A 6 4.901 -10.354 -10.378 1.00 0.00 H new ATOM 102 N GLN A 7 3.053 -2.944 -15.465 1.00 0.00 N ATOM 103 CA GLN A 7 2.689 -1.494 -15.391 1.00 0.00 C ATOM 104 C GLN A 7 1.184 -1.233 -15.481 1.00 0.00 C ATOM 105 O GLN A 7 0.405 -2.056 -15.926 1.00 0.00 O ATOM 106 CB GLN A 7 3.401 -0.747 -16.528 1.00 0.00 C ATOM 107 CG GLN A 7 4.870 -0.520 -16.139 1.00 0.00 C ATOM 108 CD GLN A 7 5.668 0.125 -17.289 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.123 0.311 -18.463 1.00 0.00 O flip ATOM 110 NE2 GLN A 7 6.820 0.472 -17.118 1.00 0.00 N flip ATOM 0 H GLN A 7 2.698 -3.437 -16.284 1.00 0.00 H new ATOM 0 HA GLN A 7 3.008 -1.135 -14.413 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.341 -1.323 -17.451 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.910 0.208 -16.716 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.919 0.120 -15.258 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.326 -1.472 -15.868 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.264 0.336 -16.210 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.343 0.899 -17.883 1.00 0.00 H new ATOM 119 N TYR A 8 0.861 -0.048 -15.032 1.00 0.00 N ATOM 120 CA TYR A 8 -0.543 0.437 -14.930 1.00 0.00 C ATOM 121 C TYR A 8 -0.537 1.904 -15.381 1.00 0.00 C ATOM 122 O TYR A 8 0.474 2.573 -15.290 1.00 0.00 O ATOM 123 CB TYR A 8 -1.019 0.344 -13.469 1.00 0.00 C ATOM 124 CG TYR A 8 -1.089 -1.126 -13.033 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.064 -1.815 -12.705 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.302 -1.782 -12.963 1.00 0.00 C ATOM 127 CE1 TYR A 8 0.005 -3.132 -12.318 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.359 -3.103 -12.574 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.206 -3.789 -12.247 1.00 0.00 C ATOM 130 OH TYR A 8 -1.269 -5.113 -11.860 1.00 0.00 O ATOM 0 H TYR A 8 1.551 0.634 -14.717 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.213 -0.162 -15.547 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.336 0.892 -12.820 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.999 0.809 -13.367 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.019 -1.314 -12.753 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.212 -1.257 -13.215 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.915 -3.657 -12.067 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.313 -3.606 -12.525 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.429 -5.367 -11.425 1.00 0.00 H new ATOM 140 N ARG A 9 -1.672 2.353 -15.852 1.00 0.00 N ATOM 141 CA ARG A 9 -1.815 3.765 -16.311 1.00 0.00 C ATOM 142 C ARG A 9 -2.960 4.409 -15.524 1.00 0.00 C ATOM 143 O ARG A 9 -4.079 3.933 -15.565 1.00 0.00 O ATOM 144 CB ARG A 9 -2.114 3.752 -17.822 1.00 0.00 C ATOM 145 CG ARG A 9 -2.243 5.195 -18.372 1.00 0.00 C ATOM 146 CD ARG A 9 -1.910 5.195 -19.880 1.00 0.00 C ATOM 147 NE ARG A 9 -2.607 6.348 -20.527 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.687 6.154 -21.240 1.00 0.00 C ATOM 149 NH1 ARG A 9 -4.675 5.468 -20.733 1.00 0.00 N ATOM 150 NH2 ARG A 9 -3.744 6.656 -22.442 1.00 0.00 N ATOM 0 H ARG A 9 -2.519 1.791 -15.939 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.905 4.340 -16.140 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.318 3.227 -18.350 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.037 3.203 -18.010 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.254 5.570 -18.211 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.567 5.862 -17.838 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.833 5.273 -20.029 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.227 4.258 -20.337 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.238 7.292 -20.412 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.601 5.089 -19.789 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.521 5.311 -21.281 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.956 7.188 -22.810 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.577 6.516 -23.014 1.00 0.00 H new ATOM 164 N ALA A 10 -2.636 5.473 -14.832 1.00 0.00 N ATOM 165 CA ALA A 10 -3.687 6.283 -14.137 1.00 0.00 C ATOM 166 C ALA A 10 -4.811 6.694 -15.104 1.00 0.00 C ATOM 167 O ALA A 10 -4.566 6.940 -16.271 1.00 0.00 O ATOM 168 CB ALA A 10 -3.031 7.543 -13.539 1.00 0.00 C ATOM 0 H ALA A 10 -1.683 5.818 -14.717 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.131 5.675 -13.349 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.788 8.141 -13.030 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.261 7.249 -12.826 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.580 8.132 -14.337 1.00 0.00 H new ATOM 174 N LEU A 11 -6.008 6.751 -14.578 1.00 0.00 N ATOM 175 CA LEU A 11 -7.216 7.058 -15.404 1.00 0.00 C ATOM 176 C LEU A 11 -7.713 8.477 -15.093 1.00 0.00 C ATOM 177 O LEU A 11 -8.095 9.210 -15.985 1.00 0.00 O ATOM 178 CB LEU A 11 -8.307 6.030 -15.074 1.00 0.00 C ATOM 179 CG LEU A 11 -9.341 5.966 -16.239 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.850 4.951 -17.319 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.731 5.548 -15.678 1.00 0.00 C ATOM 0 H LEU A 11 -6.203 6.594 -13.589 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.968 7.004 -16.464 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.860 5.048 -14.918 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.808 6.303 -14.145 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.435 6.947 -16.704 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.574 4.907 -18.133 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.885 5.273 -17.709 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.748 3.963 -16.870 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.454 5.503 -16.493 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.654 4.568 -15.207 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.061 6.280 -14.940 1.00 0.00 H new ATOM 193 N TYR A 12 -7.692 8.807 -13.825 1.00 0.00 N ATOM 194 CA TYR A 12 -8.167 10.146 -13.360 1.00 0.00 C ATOM 195 C TYR A 12 -7.277 10.659 -12.227 1.00 0.00 C ATOM 196 O TYR A 12 -6.691 9.882 -11.495 1.00 0.00 O ATOM 197 CB TYR A 12 -9.628 10.011 -12.874 1.00 0.00 C ATOM 198 CG TYR A 12 -10.554 10.734 -13.859 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.737 12.099 -13.763 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.212 10.034 -14.849 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.565 12.755 -14.646 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.040 10.689 -15.734 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.223 12.055 -15.638 1.00 0.00 C ATOM 204 OH TYR A 12 -13.053 12.709 -16.526 1.00 0.00 O ATOM 0 H TYR A 12 -7.360 8.194 -13.081 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.117 10.861 -14.181 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.904 8.959 -12.801 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.733 10.438 -11.877 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.227 12.656 -12.990 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -11.077 8.966 -14.931 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.701 13.823 -14.562 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.549 10.132 -16.507 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.432 12.062 -17.157 1.00 0.00 H new ATOM 214 N ASP A 13 -7.211 11.962 -12.121 1.00 0.00 N ATOM 215 CA ASP A 13 -6.480 12.609 -10.990 1.00 0.00 C ATOM 216 C ASP A 13 -7.169 12.297 -9.653 1.00 0.00 C ATOM 217 O ASP A 13 -8.339 12.583 -9.478 1.00 0.00 O ATOM 218 CB ASP A 13 -6.447 14.132 -11.226 1.00 0.00 C ATOM 219 CG ASP A 13 -5.807 14.819 -10.001 1.00 0.00 C ATOM 220 OD1 ASP A 13 -4.588 14.803 -9.947 1.00 0.00 O ATOM 221 OD2 ASP A 13 -6.573 15.316 -9.190 1.00 0.00 O ATOM 0 H ASP A 13 -7.639 12.613 -12.779 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.463 12.219 -10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.876 14.361 -12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.457 14.510 -11.384 1.00 0.00 H new ATOM 226 N TYR A 14 -6.405 11.720 -8.760 1.00 0.00 N ATOM 227 CA TYR A 14 -6.877 11.457 -7.366 1.00 0.00 C ATOM 228 C TYR A 14 -5.918 12.132 -6.376 1.00 0.00 C ATOM 229 O TYR A 14 -4.714 12.066 -6.536 1.00 0.00 O ATOM 230 CB TYR A 14 -6.914 9.921 -7.179 1.00 0.00 C ATOM 231 CG TYR A 14 -6.833 9.483 -5.699 1.00 0.00 C ATOM 232 CD1 TYR A 14 -5.605 9.268 -5.102 1.00 0.00 C ATOM 233 CD2 TYR A 14 -7.978 9.290 -4.952 1.00 0.00 C ATOM 234 CE1 TYR A 14 -5.524 8.865 -3.788 1.00 0.00 C ATOM 235 CE2 TYR A 14 -7.896 8.886 -3.634 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.667 8.671 -3.041 1.00 0.00 C ATOM 237 OH TYR A 14 -6.584 8.264 -1.724 1.00 0.00 O ATOM 0 H TYR A 14 -5.450 11.413 -8.944 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.871 11.866 -7.185 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.833 9.531 -7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.085 9.475 -7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.700 9.418 -5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.946 9.456 -5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.556 8.699 -3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.800 8.737 -3.062 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.486 8.178 -1.351 1.00 0.00 H new ATOM 247 N LYS A 15 -6.497 12.759 -5.383 1.00 0.00 N ATOM 248 CA LYS A 15 -5.706 13.363 -4.268 1.00 0.00 C ATOM 249 C LYS A 15 -5.622 12.365 -3.107 1.00 0.00 C ATOM 250 O LYS A 15 -6.507 11.552 -2.929 1.00 0.00 O ATOM 251 CB LYS A 15 -6.414 14.658 -3.822 1.00 0.00 C ATOM 252 CG LYS A 15 -5.587 15.885 -4.256 1.00 0.00 C ATOM 253 CD LYS A 15 -6.432 17.158 -4.038 1.00 0.00 C ATOM 254 CE LYS A 15 -5.645 18.408 -4.487 1.00 0.00 C ATOM 255 NZ LYS A 15 -6.577 19.420 -5.064 1.00 0.00 N ATOM 0 H LYS A 15 -7.506 12.880 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.692 13.596 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.411 14.707 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.541 14.659 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.664 15.941 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.302 15.796 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.363 17.085 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.701 17.248 -2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.111 18.836 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.895 18.129 -5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.038 20.258 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.067 19.012 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.277 19.697 -4.346 1.00 0.00 H new ATOM 269 N LYS A 16 -4.559 12.465 -2.350 1.00 0.00 N ATOM 270 CA LYS A 16 -4.347 11.528 -1.199 1.00 0.00 C ATOM 271 C LYS A 16 -4.988 12.098 0.079 1.00 0.00 C ATOM 272 O LYS A 16 -4.787 13.250 0.411 1.00 0.00 O ATOM 273 CB LYS A 16 -2.822 11.317 -0.986 1.00 0.00 C ATOM 274 CG LYS A 16 -2.061 12.662 -0.780 1.00 0.00 C ATOM 275 CD LYS A 16 -1.643 12.814 0.703 1.00 0.00 C ATOM 276 CE LYS A 16 -1.076 14.229 0.938 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.511 14.329 2.316 1.00 0.00 N ATOM 0 H LYS A 16 -3.823 13.159 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.818 10.571 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.664 10.676 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.406 10.795 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.179 12.692 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.696 13.497 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.501 12.643 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.895 12.064 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.302 14.447 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.862 14.972 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.131 15.285 2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.260 14.140 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.252 13.631 2.430 1.00 0.00 H new ATOM 291 N GLU A 17 -5.743 11.261 0.746 1.00 0.00 N ATOM 292 CA GLU A 17 -6.441 11.661 2.014 1.00 0.00 C ATOM 293 C GLU A 17 -5.809 10.952 3.224 1.00 0.00 C ATOM 294 O GLU A 17 -6.093 11.289 4.357 1.00 0.00 O ATOM 295 CB GLU A 17 -7.936 11.288 1.890 1.00 0.00 C ATOM 296 CG GLU A 17 -8.799 12.215 2.787 1.00 0.00 C ATOM 297 CD GLU A 17 -10.248 11.688 2.926 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.776 11.188 1.944 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.758 11.819 4.027 1.00 0.00 O ATOM 0 H GLU A 17 -5.910 10.296 0.461 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.340 12.735 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.255 11.376 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.084 10.248 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.344 12.293 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.816 13.219 2.363 1.00 0.00 H new ATOM 306 N ARG A 18 -4.973 9.990 2.928 1.00 0.00 N ATOM 307 CA ARG A 18 -4.255 9.207 3.980 1.00 0.00 C ATOM 308 C ARG A 18 -2.743 9.364 3.789 1.00 0.00 C ATOM 309 O ARG A 18 -2.256 9.474 2.680 1.00 0.00 O ATOM 310 CB ARG A 18 -4.665 7.730 3.855 1.00 0.00 C ATOM 311 CG ARG A 18 -4.361 6.961 5.167 1.00 0.00 C ATOM 312 CD ARG A 18 -5.496 7.163 6.192 1.00 0.00 C ATOM 313 NE ARG A 18 -4.933 6.929 7.556 1.00 0.00 N ATOM 314 CZ ARG A 18 -5.519 6.101 8.381 1.00 0.00 C ATOM 315 NH1 ARG A 18 -5.233 4.829 8.311 1.00 0.00 N ATOM 316 NH2 ARG A 18 -6.370 6.567 9.253 1.00 0.00 N ATOM 0 H ARG A 18 -4.752 9.707 1.973 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.517 9.572 4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.728 7.661 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.130 7.268 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.242 5.899 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.418 7.309 5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.903 8.171 6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.316 6.472 5.994 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.086 7.418 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.561 4.495 7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.681 4.170 8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.571 7.566 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.834 5.932 9.902 1.00 0.00 H new ATOM 330 N GLU A 19 -2.053 9.363 4.899 1.00 0.00 N ATOM 331 CA GLU A 19 -0.555 9.346 4.899 1.00 0.00 C ATOM 332 C GLU A 19 0.025 8.080 4.250 1.00 0.00 C ATOM 333 O GLU A 19 1.176 8.053 3.855 1.00 0.00 O ATOM 334 CB GLU A 19 -0.078 9.461 6.352 1.00 0.00 C ATOM 335 CG GLU A 19 -0.367 10.892 6.862 1.00 0.00 C ATOM 336 CD GLU A 19 -0.262 10.998 8.403 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.498 10.247 8.997 1.00 0.00 O ATOM 338 OE2 GLU A 19 -0.967 11.854 8.911 1.00 0.00 O ATOM 0 H GLU A 19 -2.473 9.373 5.829 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.201 10.186 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.589 8.728 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.989 9.246 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.336 11.588 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.366 11.193 6.546 1.00 0.00 H new ATOM 345 N GLU A 20 -0.806 7.078 4.165 1.00 0.00 N ATOM 346 CA GLU A 20 -0.405 5.781 3.536 1.00 0.00 C ATOM 347 C GLU A 20 -0.526 5.848 2.001 1.00 0.00 C ATOM 348 O GLU A 20 0.072 5.051 1.304 1.00 0.00 O ATOM 349 CB GLU A 20 -1.314 4.652 4.088 1.00 0.00 C ATOM 350 CG GLU A 20 -0.466 3.478 4.628 1.00 0.00 C ATOM 351 CD GLU A 20 0.381 2.870 3.489 1.00 0.00 C ATOM 352 OE1 GLU A 20 -0.208 2.173 2.677 1.00 0.00 O ATOM 353 OE2 GLU A 20 1.573 3.138 3.494 1.00 0.00 O ATOM 0 H GLU A 20 -1.765 7.101 4.511 1.00 0.00 H new ATOM 0 HA GLU A 20 0.637 5.577 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.947 5.045 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.977 4.295 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.185 3.827 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.117 2.715 5.055 1.00 0.00 H new ATOM 360 N ASP A 21 -1.301 6.794 1.529 1.00 0.00 N ATOM 361 CA ASP A 21 -1.502 6.978 0.056 1.00 0.00 C ATOM 362 C ASP A 21 -0.615 8.108 -0.476 1.00 0.00 C ATOM 363 O ASP A 21 -0.091 8.901 0.283 1.00 0.00 O ATOM 364 CB ASP A 21 -2.988 7.309 -0.211 1.00 0.00 C ATOM 365 CG ASP A 21 -3.461 6.523 -1.449 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.077 6.929 -2.535 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.175 5.557 -1.241 1.00 0.00 O ATOM 0 H ASP A 21 -1.811 7.458 2.112 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.226 6.057 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.594 7.047 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.112 8.380 -0.374 1.00 0.00 H new ATOM 372 N ILE A 22 -0.486 8.133 -1.779 1.00 0.00 N ATOM 373 CA ILE A 22 0.322 9.187 -2.473 1.00 0.00 C ATOM 374 C ILE A 22 -0.527 9.911 -3.524 1.00 0.00 C ATOM 375 O ILE A 22 -1.616 9.486 -3.857 1.00 0.00 O ATOM 376 CB ILE A 22 1.547 8.528 -3.164 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.085 7.283 -3.989 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.589 8.108 -2.094 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.021 7.054 -5.189 1.00 0.00 C ATOM 0 H ILE A 22 -0.916 7.453 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 22 0.659 9.913 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 22 2.008 9.246 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.078 6.399 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.064 7.430 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.447 7.646 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.917 8.988 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.136 7.394 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.684 6.183 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.006 7.932 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.036 6.884 -4.831 1.00 0.00 H new ATOM 391 N ASP A 23 0.031 10.991 -4.010 1.00 0.00 N ATOM 392 CA ASP A 23 -0.686 11.871 -4.979 1.00 0.00 C ATOM 393 C ASP A 23 -0.699 11.207 -6.360 1.00 0.00 C ATOM 394 O ASP A 23 0.308 10.678 -6.793 1.00 0.00 O ATOM 395 CB ASP A 23 0.044 13.219 -5.036 1.00 0.00 C ATOM 396 CG ASP A 23 -0.064 13.895 -3.657 1.00 0.00 C ATOM 397 OD1 ASP A 23 0.817 13.640 -2.852 1.00 0.00 O ATOM 398 OD2 ASP A 23 -1.026 14.627 -3.486 1.00 0.00 O ATOM 0 H ASP A 23 0.972 11.305 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.718 12.028 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.090 13.072 -5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.395 13.855 -5.804 1.00 0.00 H new ATOM 403 N LEU A 24 -1.840 11.255 -7.002 1.00 0.00 N ATOM 404 CA LEU A 24 -2.005 10.590 -8.332 1.00 0.00 C ATOM 405 C LEU A 24 -2.524 11.584 -9.372 1.00 0.00 C ATOM 406 O LEU A 24 -3.436 12.344 -9.109 1.00 0.00 O ATOM 407 CB LEU A 24 -3.006 9.419 -8.209 1.00 0.00 C ATOM 408 CG LEU A 24 -2.521 8.360 -7.175 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.599 7.241 -7.043 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.158 7.741 -7.613 1.00 0.00 C ATOM 0 H LEU A 24 -2.673 11.732 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.032 10.216 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.981 9.802 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.136 8.946 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.377 8.847 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.264 6.497 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.538 7.679 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.749 6.764 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.839 7.004 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.273 7.257 -8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.408 8.528 -7.687 1.00 0.00 H new ATOM 422 N HIS A 25 -1.912 11.535 -10.528 1.00 0.00 N ATOM 423 CA HIS A 25 -2.185 12.537 -11.609 1.00 0.00 C ATOM 424 C HIS A 25 -2.378 11.782 -12.934 1.00 0.00 C ATOM 425 O HIS A 25 -2.373 10.566 -12.956 1.00 0.00 O ATOM 426 CB HIS A 25 -0.990 13.541 -11.744 1.00 0.00 C ATOM 427 CG HIS A 25 0.068 13.368 -10.654 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.133 13.371 -9.373 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.426 13.181 -10.785 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.995 13.200 -8.760 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.994 13.076 -9.597 1.00 0.00 N ATOM 0 H HIS A 25 -1.219 10.828 -10.775 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.082 13.105 -11.361 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.522 13.410 -12.720 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.375 14.560 -11.710 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.039 13.490 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.953 13.128 -11.726 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.099 13.164 -7.686 1.00 0.00 H new ATOM 439 N LEU A 26 -2.543 12.524 -14.000 1.00 0.00 N ATOM 440 CA LEU A 26 -2.744 11.899 -15.346 1.00 0.00 C ATOM 441 C LEU A 26 -1.392 11.558 -15.997 1.00 0.00 C ATOM 442 O LEU A 26 -0.375 12.120 -15.639 1.00 0.00 O ATOM 443 CB LEU A 26 -3.540 12.898 -16.210 1.00 0.00 C ATOM 444 CG LEU A 26 -5.026 12.938 -15.700 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.591 14.389 -15.767 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.911 11.965 -16.539 1.00 0.00 C ATOM 0 H LEU A 26 -2.547 13.544 -13.997 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.295 10.963 -15.252 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.093 13.890 -16.148 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.509 12.599 -17.258 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.044 12.614 -14.659 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.621 14.395 -15.410 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.986 15.044 -15.141 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.562 14.743 -16.797 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.938 12.002 -16.176 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.886 12.263 -17.587 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.528 10.949 -16.441 1.00 0.00 H new ATOM 458 N GLY A 27 -1.425 10.638 -16.933 1.00 0.00 N ATOM 459 CA GLY A 27 -0.174 10.176 -17.627 1.00 0.00 C ATOM 460 C GLY A 27 0.821 9.455 -16.695 1.00 0.00 C ATOM 461 O GLY A 27 1.821 8.936 -17.152 1.00 0.00 O ATOM 0 H GLY A 27 -2.278 10.179 -17.252 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.447 9.505 -18.441 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.321 11.037 -18.076 1.00 0.00 H new ATOM 465 N ASP A 28 0.515 9.449 -15.420 1.00 0.00 N ATOM 466 CA ASP A 28 1.430 8.848 -14.405 1.00 0.00 C ATOM 467 C ASP A 28 1.301 7.325 -14.467 1.00 0.00 C ATOM 468 O ASP A 28 0.282 6.767 -14.100 1.00 0.00 O ATOM 469 CB ASP A 28 1.034 9.374 -12.999 1.00 0.00 C ATOM 470 CG ASP A 28 2.172 10.217 -12.382 1.00 0.00 C ATOM 471 OD1 ASP A 28 2.656 11.092 -13.083 1.00 0.00 O ATOM 472 OD2 ASP A 28 2.497 9.944 -11.238 1.00 0.00 O ATOM 0 H ASP A 28 -0.344 9.842 -15.036 1.00 0.00 H new ATOM 0 HA ASP A 28 2.465 9.124 -14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.129 9.977 -13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.803 8.534 -12.344 1.00 0.00 H new ATOM 477 N ILE A 29 2.350 6.704 -14.940 1.00 0.00 N ATOM 478 CA ILE A 29 2.394 5.216 -14.982 1.00 0.00 C ATOM 479 C ILE A 29 3.075 4.685 -13.734 1.00 0.00 C ATOM 480 O ILE A 29 4.069 5.218 -13.274 1.00 0.00 O ATOM 481 CB ILE A 29 3.148 4.800 -16.280 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.054 4.754 -17.365 1.00 0.00 C ATOM 483 CG2 ILE A 29 3.823 3.389 -16.168 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.637 4.985 -18.768 1.00 0.00 C ATOM 0 H ILE A 29 3.183 7.169 -15.301 1.00 0.00 H new ATOM 0 HA ILE A 29 1.390 4.791 -15.001 1.00 0.00 H new ATOM 0 HB ILE A 29 3.955 5.501 -16.492 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.551 3.787 -17.334 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.300 5.513 -17.154 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.333 3.154 -17.102 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.546 3.395 -15.352 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.060 2.635 -15.971 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.836 4.945 -19.506 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.117 5.963 -18.806 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.372 4.211 -18.989 1.00 0.00 H new ATOM 496 N LEU A 30 2.485 3.630 -13.238 1.00 0.00 N ATOM 497 CA LEU A 30 3.020 2.948 -12.035 1.00 0.00 C ATOM 498 C LEU A 30 3.692 1.637 -12.442 1.00 0.00 C ATOM 499 O LEU A 30 3.280 1.011 -13.400 1.00 0.00 O ATOM 500 CB LEU A 30 1.853 2.671 -11.059 1.00 0.00 C ATOM 501 CG LEU A 30 1.453 3.967 -10.301 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.838 5.005 -11.282 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.407 3.626 -9.208 1.00 0.00 C ATOM 0 H LEU A 30 1.641 3.209 -13.626 1.00 0.00 H new ATOM 0 HA LEU A 30 3.761 3.580 -11.546 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.995 2.286 -11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.144 1.901 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 30 2.347 4.392 -9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.564 5.906 -10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.569 5.256 -12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.050 4.581 -11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.127 4.535 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.477 3.191 -9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.835 2.912 -8.505 1.00 0.00 H new ATOM 515 N THR A 31 4.709 1.263 -11.703 1.00 0.00 N ATOM 516 CA THR A 31 5.426 -0.030 -11.967 1.00 0.00 C ATOM 517 C THR A 31 5.475 -0.851 -10.675 1.00 0.00 C ATOM 518 O THR A 31 5.543 -0.293 -9.597 1.00 0.00 O ATOM 519 CB THR A 31 6.846 0.301 -12.461 1.00 0.00 C ATOM 520 OG1 THR A 31 6.643 1.196 -13.549 1.00 0.00 O ATOM 521 CG2 THR A 31 7.556 -0.919 -13.099 1.00 0.00 C ATOM 0 H THR A 31 5.078 1.802 -10.920 1.00 0.00 H new ATOM 0 HA THR A 31 4.908 -0.616 -12.726 1.00 0.00 H new ATOM 0 HB THR A 31 7.440 0.667 -11.624 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.442 1.750 -13.670 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.553 -0.628 -13.429 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.637 -1.719 -12.363 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.978 -1.270 -13.954 1.00 0.00 H new ATOM 529 N VAL A 32 5.431 -2.152 -10.828 1.00 0.00 N ATOM 530 CA VAL A 32 5.487 -3.079 -9.647 1.00 0.00 C ATOM 531 C VAL A 32 6.716 -3.994 -9.801 1.00 0.00 C ATOM 532 O VAL A 32 7.677 -3.643 -10.459 1.00 0.00 O ATOM 533 CB VAL A 32 4.150 -3.945 -9.578 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.767 -4.234 -8.085 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.959 -3.252 -10.309 1.00 0.00 C ATOM 0 H VAL A 32 5.358 -2.620 -11.731 1.00 0.00 H new ATOM 0 HA VAL A 32 5.572 -2.508 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 32 4.348 -4.885 -10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.852 -4.826 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.574 -4.786 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.608 -3.291 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.071 -3.880 -10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.760 -2.286 -9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.212 -3.105 -11.359 1.00 0.00 H new ATOM 545 N ASN A 33 6.635 -5.144 -9.178 1.00 0.00 N ATOM 546 CA ASN A 33 7.656 -6.218 -9.360 1.00 0.00 C ATOM 547 C ASN A 33 7.409 -7.057 -10.624 1.00 0.00 C ATOM 548 O ASN A 33 6.477 -6.828 -11.374 1.00 0.00 O ATOM 549 CB ASN A 33 7.633 -7.120 -8.104 1.00 0.00 C ATOM 550 CG ASN A 33 9.020 -7.120 -7.449 1.00 0.00 C ATOM 551 OD1 ASN A 33 10.009 -7.507 -8.042 1.00 0.00 O ATOM 552 ND2 ASN A 33 9.130 -6.690 -6.221 1.00 0.00 N ATOM 0 H ASN A 33 5.882 -5.387 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 33 8.633 -5.752 -9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.885 -6.759 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.348 -8.136 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.042 -6.680 -5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.304 -6.364 -5.719 1.00 0.00 H new ATOM 737 N GLU A 47 -3.146 -10.489 -12.376 1.00 0.00 N ATOM 738 CA GLU A 47 -2.316 -9.303 -12.778 1.00 0.00 C ATOM 739 C GLU A 47 -2.785 -8.771 -14.148 1.00 0.00 C ATOM 740 O GLU A 47 -2.049 -8.784 -15.115 1.00 0.00 O ATOM 741 CB GLU A 47 -0.841 -9.754 -12.826 1.00 0.00 C ATOM 742 CG GLU A 47 0.114 -8.547 -12.622 1.00 0.00 C ATOM 743 CD GLU A 47 0.437 -8.375 -11.125 1.00 0.00 C ATOM 744 OE1 GLU A 47 1.036 -9.296 -10.593 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.072 -7.338 -10.595 1.00 0.00 O ATOM 0 HA GLU A 47 -2.426 -8.491 -12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.660 -10.501 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.633 -10.230 -13.784 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.034 -8.702 -13.185 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.347 -7.639 -13.009 1.00 0.00 H new ATOM 752 N ALA A 48 -4.016 -8.330 -14.181 1.00 0.00 N ATOM 753 CA ALA A 48 -4.637 -7.854 -15.465 1.00 0.00 C ATOM 754 C ALA A 48 -6.057 -7.303 -15.307 1.00 0.00 C ATOM 755 O ALA A 48 -6.491 -6.533 -16.143 1.00 0.00 O ATOM 756 CB ALA A 48 -4.661 -9.026 -16.494 1.00 0.00 C ATOM 0 H ALA A 48 -4.628 -8.277 -13.367 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.018 -7.027 -15.812 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.111 -8.683 -17.426 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.642 -9.363 -16.685 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.247 -9.852 -16.091 1.00 0.00 H new ATOM 762 N LYS A 49 -6.736 -7.704 -14.261 1.00 0.00 N ATOM 763 CA LYS A 49 -8.109 -7.176 -13.979 1.00 0.00 C ATOM 764 C LYS A 49 -8.111 -6.482 -12.594 1.00 0.00 C ATOM 765 O LYS A 49 -8.535 -7.082 -11.622 1.00 0.00 O ATOM 766 CB LYS A 49 -9.111 -8.364 -14.013 1.00 0.00 C ATOM 767 CG LYS A 49 -9.729 -8.540 -15.419 1.00 0.00 C ATOM 768 CD LYS A 49 -8.831 -9.472 -16.272 1.00 0.00 C ATOM 769 CE LYS A 49 -9.251 -9.473 -17.759 1.00 0.00 C ATOM 770 NZ LYS A 49 -10.733 -9.486 -17.921 1.00 0.00 N ATOM 0 H LYS A 49 -6.394 -8.383 -13.581 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.406 -6.443 -14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.600 -9.281 -13.721 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.904 -8.195 -13.284 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.731 -8.961 -15.336 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.830 -7.570 -15.906 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.792 -9.152 -16.188 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.884 -10.487 -15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.840 -8.592 -18.252 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.824 -10.344 -18.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.973 -9.724 -18.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.146 -10.196 -17.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.116 -8.547 -17.688 1.00 0.00 H new ATOM 784 N PRO A 50 -7.646 -5.250 -12.526 1.00 0.00 N ATOM 785 CA PRO A 50 -7.672 -4.443 -11.272 1.00 0.00 C ATOM 786 C PRO A 50 -9.091 -4.319 -10.699 1.00 0.00 C ATOM 787 O PRO A 50 -9.265 -4.072 -9.520 1.00 0.00 O ATOM 788 CB PRO A 50 -7.084 -3.076 -11.631 1.00 0.00 C ATOM 789 CG PRO A 50 -6.652 -3.136 -13.120 1.00 0.00 C ATOM 790 CD PRO A 50 -7.048 -4.517 -13.673 1.00 0.00 C ATOM 0 HA PRO A 50 -7.089 -4.926 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.821 -2.288 -11.476 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.231 -2.845 -10.993 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.137 -2.344 -13.690 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.577 -2.982 -13.212 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.761 -4.422 -14.492 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.180 -5.046 -14.066 1.00 0.00 H new ATOM 798 N GLU A 51 -10.048 -4.502 -11.572 1.00 0.00 N ATOM 799 CA GLU A 51 -11.494 -4.385 -11.213 1.00 0.00 C ATOM 800 C GLU A 51 -11.851 -5.205 -9.966 1.00 0.00 C ATOM 801 O GLU A 51 -12.597 -4.740 -9.125 1.00 0.00 O ATOM 802 CB GLU A 51 -12.334 -4.865 -12.415 1.00 0.00 C ATOM 803 CG GLU A 51 -12.463 -3.760 -13.489 1.00 0.00 C ATOM 804 CD GLU A 51 -11.073 -3.229 -13.899 1.00 0.00 C ATOM 805 OE1 GLU A 51 -10.394 -3.964 -14.599 1.00 0.00 O ATOM 806 OE2 GLU A 51 -10.765 -2.121 -13.486 1.00 0.00 O ATOM 0 H GLU A 51 -9.881 -4.735 -12.551 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.709 -3.342 -10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.872 -5.749 -12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.326 -5.160 -12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.979 -4.156 -14.364 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.071 -2.941 -13.104 1.00 0.00 H new ATOM 813 N GLU A 52 -11.308 -6.395 -9.883 1.00 0.00 N ATOM 814 CA GLU A 52 -11.558 -7.261 -8.684 1.00 0.00 C ATOM 815 C GLU A 52 -10.460 -7.085 -7.625 1.00 0.00 C ATOM 816 O GLU A 52 -10.722 -7.247 -6.449 1.00 0.00 O ATOM 817 CB GLU A 52 -11.626 -8.741 -9.128 1.00 0.00 C ATOM 818 CG GLU A 52 -10.492 -9.074 -10.112 1.00 0.00 C ATOM 819 CD GLU A 52 -10.412 -10.596 -10.304 1.00 0.00 C ATOM 820 OE1 GLU A 52 -11.258 -11.100 -11.027 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.508 -11.173 -9.721 1.00 0.00 O ATOM 0 H GLU A 52 -10.702 -6.806 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.505 -6.961 -8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.557 -9.390 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.590 -8.940 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.671 -8.585 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.543 -8.694 -9.733 1.00 0.00 H new ATOM 828 N ILE A 53 -9.266 -6.761 -8.060 1.00 0.00 N ATOM 829 CA ILE A 53 -8.146 -6.529 -7.088 1.00 0.00 C ATOM 830 C ILE A 53 -8.461 -5.303 -6.216 1.00 0.00 C ATOM 831 O ILE A 53 -9.078 -4.362 -6.678 1.00 0.00 O ATOM 832 CB ILE A 53 -6.811 -6.278 -7.848 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.612 -7.362 -8.943 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.615 -6.351 -6.846 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.349 -7.059 -9.775 1.00 0.00 C ATOM 0 H ILE A 53 -9.017 -6.647 -9.043 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.043 -7.415 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.850 -5.292 -8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.523 -8.344 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.485 -7.395 -9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.681 -6.175 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.740 -5.592 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.588 -7.338 -6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.223 -7.827 -10.538 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.454 -6.086 -10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.476 -7.050 -9.122 1.00 0.00 H new ATOM 847 N GLY A 54 -8.024 -5.358 -4.983 1.00 0.00 N ATOM 848 CA GLY A 54 -8.370 -4.283 -4.009 1.00 0.00 C ATOM 849 C GLY A 54 -7.312 -3.187 -4.082 1.00 0.00 C ATOM 850 O GLY A 54 -7.369 -2.314 -4.926 1.00 0.00 O ATOM 0 H GLY A 54 -7.440 -6.106 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.354 -3.872 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.420 -4.691 -3.000 1.00 0.00 H new ATOM 854 N TRP A 55 -6.377 -3.285 -3.180 1.00 0.00 N ATOM 855 CA TRP A 55 -5.255 -2.300 -3.100 1.00 0.00 C ATOM 856 C TRP A 55 -4.010 -2.855 -3.792 1.00 0.00 C ATOM 857 O TRP A 55 -3.590 -3.961 -3.513 1.00 0.00 O ATOM 858 CB TRP A 55 -4.983 -2.022 -1.621 1.00 0.00 C ATOM 859 CG TRP A 55 -6.057 -1.046 -1.145 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.250 -1.397 -0.588 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.980 0.301 -1.216 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.817 -0.228 -0.362 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.133 0.851 -0.705 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.979 1.124 -1.695 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.293 2.221 -0.669 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.137 2.488 -1.653 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.291 3.040 -1.143 1.00 0.00 C ATOM 0 H TRP A 55 -6.340 -4.023 -2.477 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.522 -1.373 -3.608 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.017 -2.945 -1.042 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.988 -1.597 -1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.635 -2.385 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.743 -0.159 0.059 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.075 0.696 -2.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.200 2.650 -0.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.352 3.131 -2.022 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.411 4.113 -1.115 1.00 0.00 H new ATOM 878 N LEU A 56 -3.459 -2.065 -4.678 1.00 0.00 N ATOM 879 CA LEU A 56 -2.144 -2.397 -5.304 1.00 0.00 C ATOM 880 C LEU A 56 -1.098 -1.452 -4.709 1.00 0.00 C ATOM 881 O LEU A 56 -1.346 -0.270 -4.572 1.00 0.00 O ATOM 882 CB LEU A 56 -2.231 -2.193 -6.831 1.00 0.00 C ATOM 883 CG LEU A 56 -3.393 -3.030 -7.451 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.696 -2.188 -7.485 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.030 -3.511 -8.889 1.00 0.00 C ATOM 0 H LEU A 56 -3.872 -1.189 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.874 -3.435 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.384 -1.136 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.286 -2.481 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.550 -3.910 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.501 -2.781 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.967 -1.896 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.536 -1.295 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.857 -4.092 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.844 -2.646 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.135 -4.132 -8.850 1.00 0.00 H new ATOM 897 N ASN A 57 0.035 -2.006 -4.375 1.00 0.00 N ATOM 898 CA ASN A 57 1.190 -1.200 -3.885 1.00 0.00 C ATOM 899 C ASN A 57 2.219 -1.117 -5.020 1.00 0.00 C ATOM 900 O ASN A 57 2.636 -2.132 -5.546 1.00 0.00 O ATOM 901 CB ASN A 57 1.786 -1.899 -2.652 1.00 0.00 C ATOM 902 CG ASN A 57 2.666 -0.926 -1.858 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.224 0.276 -1.613 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 3.764 -1.249 -1.453 1.00 0.00 N flip ATOM 0 H ASN A 57 0.213 -3.009 -4.423 1.00 0.00 H new ATOM 0 HA ASN A 57 0.886 -0.193 -3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.984 -2.275 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.376 -2.761 -2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.121 -2.187 -1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.330 -0.583 -0.927 1.00 0.00 H new ATOM 911 N GLY A 58 2.597 0.085 -5.368 1.00 0.00 N ATOM 912 CA GLY A 58 3.693 0.281 -6.368 1.00 0.00 C ATOM 913 C GLY A 58 4.337 1.651 -6.170 1.00 0.00 C ATOM 914 O GLY A 58 4.153 2.283 -5.147 1.00 0.00 O ATOM 0 H GLY A 58 2.192 0.946 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.443 -0.502 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.294 0.200 -7.379 1.00 0.00 H new ATOM 918 N TYR A 59 5.082 2.064 -7.164 1.00 0.00 N ATOM 919 CA TYR A 59 5.788 3.375 -7.103 1.00 0.00 C ATOM 920 C TYR A 59 5.671 4.118 -8.440 1.00 0.00 C ATOM 921 O TYR A 59 5.629 3.511 -9.493 1.00 0.00 O ATOM 922 CB TYR A 59 7.262 3.095 -6.746 1.00 0.00 C ATOM 923 CG TYR A 59 7.893 2.089 -7.728 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.708 0.728 -7.563 1.00 0.00 C ATOM 925 CD2 TYR A 59 8.657 2.536 -8.789 1.00 0.00 C ATOM 926 CE1 TYR A 59 8.276 -0.166 -8.442 1.00 0.00 C ATOM 927 CE2 TYR A 59 9.224 1.638 -9.668 1.00 0.00 C ATOM 928 CZ TYR A 59 9.038 0.281 -9.499 1.00 0.00 C ATOM 929 OH TYR A 59 9.606 -0.617 -10.379 1.00 0.00 O ATOM 0 H TYR A 59 5.231 1.539 -8.026 1.00 0.00 H new ATOM 0 HA TYR A 59 5.337 4.016 -6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.826 4.027 -6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.325 2.704 -5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.113 0.364 -6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.811 3.596 -8.931 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.123 -1.226 -8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.818 1.999 -10.495 1.00 0.00 H new ATOM 0 HH TYR A 59 10.109 -0.130 -11.064 1.00 0.00 H new ATOM 939 N ASN A 60 5.620 5.422 -8.330 1.00 0.00 N ATOM 940 CA ASN A 60 5.494 6.309 -9.533 1.00 0.00 C ATOM 941 C ASN A 60 6.876 6.893 -9.868 1.00 0.00 C ATOM 942 O ASN A 60 7.310 7.839 -9.240 1.00 0.00 O ATOM 943 CB ASN A 60 4.497 7.440 -9.214 1.00 0.00 C ATOM 944 CG ASN A 60 3.102 6.863 -8.925 1.00 0.00 C ATOM 945 OD1 ASN A 60 2.929 5.997 -8.090 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.073 7.316 -9.590 1.00 0.00 N ATOM 0 H ASN A 60 5.661 5.921 -7.441 1.00 0.00 H new ATOM 0 HA ASN A 60 5.130 5.743 -10.390 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.847 8.009 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.443 8.133 -10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.142 6.943 -9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.201 8.043 -10.294 1.00 0.00 H new ATOM 953 N GLU A 61 7.525 6.309 -10.848 1.00 0.00 N ATOM 954 CA GLU A 61 8.898 6.757 -11.260 1.00 0.00 C ATOM 955 C GLU A 61 8.939 8.261 -11.588 1.00 0.00 C ATOM 956 O GLU A 61 9.893 8.936 -11.256 1.00 0.00 O ATOM 957 CB GLU A 61 9.347 5.958 -12.502 1.00 0.00 C ATOM 958 CG GLU A 61 9.411 4.449 -12.171 1.00 0.00 C ATOM 959 CD GLU A 61 9.731 3.607 -13.428 1.00 0.00 C ATOM 960 OE1 GLU A 61 10.676 3.959 -14.120 1.00 0.00 O ATOM 961 OE2 GLU A 61 9.010 2.644 -13.630 1.00 0.00 O ATOM 0 H GLU A 61 7.156 5.527 -11.390 1.00 0.00 H new ATOM 0 HA GLU A 61 9.571 6.576 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.652 6.128 -13.324 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.325 6.307 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.172 4.274 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.459 4.127 -11.749 1.00 0.00 H new ATOM 968 N THR A 62 7.894 8.726 -12.231 1.00 0.00 N ATOM 969 CA THR A 62 7.761 10.176 -12.598 1.00 0.00 C ATOM 970 C THR A 62 7.968 11.102 -11.387 1.00 0.00 C ATOM 971 O THR A 62 8.623 12.120 -11.490 1.00 0.00 O ATOM 972 CB THR A 62 6.350 10.396 -13.200 1.00 0.00 C ATOM 973 OG1 THR A 62 6.320 9.551 -14.345 1.00 0.00 O ATOM 974 CG2 THR A 62 6.165 11.826 -13.770 1.00 0.00 C ATOM 0 H THR A 62 7.107 8.147 -12.525 1.00 0.00 H new ATOM 0 HA THR A 62 8.536 10.426 -13.323 1.00 0.00 H new ATOM 0 HB THR A 62 5.597 10.213 -12.434 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.449 9.631 -14.788 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.160 11.927 -14.179 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.308 12.556 -12.974 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.897 12.001 -14.558 1.00 0.00 H new ATOM 982 N THR A 63 7.398 10.701 -10.282 1.00 0.00 N ATOM 983 CA THR A 63 7.472 11.503 -9.016 1.00 0.00 C ATOM 984 C THR A 63 8.453 10.860 -8.026 1.00 0.00 C ATOM 985 O THR A 63 8.642 11.365 -6.935 1.00 0.00 O ATOM 986 CB THR A 63 6.064 11.582 -8.389 1.00 0.00 C ATOM 987 OG1 THR A 63 5.491 10.287 -8.526 1.00 0.00 O ATOM 988 CG2 THR A 63 5.145 12.517 -9.204 1.00 0.00 C ATOM 0 H THR A 63 6.871 9.832 -10.198 1.00 0.00 H new ATOM 0 HA THR A 63 7.831 12.506 -9.247 1.00 0.00 H new ATOM 0 HB THR A 63 6.149 11.937 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.591 10.285 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.160 12.554 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.573 13.519 -9.226 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.052 12.139 -10.222 1.00 0.00 H new ATOM 996 N GLY A 64 9.043 9.764 -8.443 1.00 0.00 N ATOM 997 CA GLY A 64 9.898 8.938 -7.537 1.00 0.00 C ATOM 998 C GLY A 64 9.190 8.574 -6.225 1.00 0.00 C ATOM 999 O GLY A 64 9.842 8.305 -5.235 1.00 0.00 O ATOM 0 H GLY A 64 8.965 9.402 -9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.190 8.024 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.814 9.483 -7.312 1.00 0.00 H new ATOM 1003 N GLU A 65 7.881 8.576 -6.261 1.00 0.00 N ATOM 1004 CA GLU A 65 7.080 8.351 -5.018 1.00 0.00 C ATOM 1005 C GLU A 65 6.756 6.859 -4.879 1.00 0.00 C ATOM 1006 O GLU A 65 6.922 6.101 -5.816 1.00 0.00 O ATOM 1007 CB GLU A 65 5.775 9.191 -5.108 1.00 0.00 C ATOM 1008 CG GLU A 65 5.513 9.910 -3.752 1.00 0.00 C ATOM 1009 CD GLU A 65 6.451 11.127 -3.527 1.00 0.00 C ATOM 1010 OE1 GLU A 65 7.381 11.328 -4.295 1.00 0.00 O ATOM 1011 OE2 GLU A 65 6.168 11.812 -2.556 1.00 0.00 O ATOM 0 H GLU A 65 7.328 8.725 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 65 7.647 8.662 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.860 9.926 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.933 8.545 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.476 10.245 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.646 9.199 -2.937 1.00 0.00 H new ATOM 1018 N ARG A 66 6.303 6.487 -3.707 1.00 0.00 N ATOM 1019 CA ARG A 66 5.974 5.056 -3.418 1.00 0.00 C ATOM 1020 C ARG A 66 4.814 5.029 -2.419 1.00 0.00 C ATOM 1021 O ARG A 66 4.895 5.634 -1.365 1.00 0.00 O ATOM 1022 CB ARG A 66 7.227 4.381 -2.828 1.00 0.00 C ATOM 1023 CG ARG A 66 6.992 2.872 -2.579 1.00 0.00 C ATOM 1024 CD ARG A 66 8.350 2.168 -2.366 1.00 0.00 C ATOM 1025 NE ARG A 66 9.152 2.282 -3.626 1.00 0.00 N ATOM 1026 CZ ARG A 66 9.306 1.257 -4.425 1.00 0.00 C ATOM 1027 NH1 ARG A 66 8.321 0.416 -4.592 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.449 1.106 -5.036 1.00 0.00 N ATOM 0 H ARG A 66 6.145 7.124 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 66 5.679 4.520 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.068 4.512 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.497 4.868 -1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.356 2.731 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.470 2.429 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.886 2.625 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.196 1.120 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 66 9.585 3.174 -3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.439 0.560 -4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.434 -0.385 -5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.200 1.780 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.591 0.314 -5.663 1.00 0.00 H new ATOM 1042 N GLY A 67 3.766 4.331 -2.775 1.00 0.00 N ATOM 1043 CA GLY A 67 2.665 4.087 -1.797 1.00 0.00 C ATOM 1044 C GLY A 67 1.616 3.141 -2.373 1.00 0.00 C ATOM 1045 O GLY A 67 1.865 2.448 -3.344 1.00 0.00 O ATOM 0 H GLY A 67 3.626 3.921 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.076 3.664 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.197 5.034 -1.529 1.00 0.00 H new ATOM 1049 N ASP A 68 0.468 3.150 -1.745 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.642 2.239 -2.160 1.00 0.00 C ATOM 1051 C ASP A 68 -1.713 3.052 -2.885 1.00 0.00 C ATOM 1052 O ASP A 68 -1.858 4.237 -2.659 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.232 1.563 -0.900 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.899 0.061 -0.929 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.544 -0.621 -1.710 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.022 -0.321 -0.172 1.00 0.00 O ATOM 0 H ASP A 68 0.250 3.756 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.270 1.468 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.821 2.022 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.312 1.708 -0.867 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.432 2.371 -3.739 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.520 3.021 -4.528 1.00 0.00 C ATOM 1063 C PHE A 69 -4.599 1.963 -4.848 1.00 0.00 C ATOM 1064 O PHE A 69 -4.268 0.804 -5.007 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.918 3.607 -5.836 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.281 2.501 -6.700 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -1.019 2.012 -6.413 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.971 1.983 -7.779 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.461 1.018 -7.191 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.416 0.991 -8.557 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.160 0.508 -8.266 1.00 0.00 C ATOM 0 H PHE A 69 -2.309 1.376 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.976 3.832 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.699 4.112 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.167 4.358 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.467 2.411 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.955 2.360 -8.015 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.523 0.639 -6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.967 0.592 -9.396 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.723 -0.268 -8.877 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.849 2.368 -4.930 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.960 1.455 -5.312 1.00 0.00 C ATOM 1083 C PRO A 70 -6.808 0.933 -6.751 1.00 0.00 C ATOM 1084 O PRO A 70 -6.163 1.556 -7.571 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.250 2.259 -5.136 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.837 3.714 -4.770 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.302 3.760 -4.656 1.00 0.00 C ATOM 0 HA PRO A 70 -6.963 0.564 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.840 2.245 -6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.870 1.826 -4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.183 4.411 -5.533 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.298 4.016 -3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.875 4.462 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.990 4.088 -3.664 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.420 -0.198 -7.001 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.402 -0.807 -8.366 1.00 0.00 C ATOM 1097 C GLY A 71 -8.688 -0.466 -9.126 1.00 0.00 C ATOM 1098 O GLY A 71 -9.274 -1.321 -9.760 1.00 0.00 O ATOM 0 H GLY A 71 -7.939 -0.733 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.538 -0.443 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.297 -1.889 -8.286 1.00 0.00 H new ATOM 1102 N THR A 72 -9.089 0.779 -9.040 1.00 0.00 N ATOM 1103 CA THR A 72 -10.303 1.247 -9.784 1.00 0.00 C ATOM 1104 C THR A 72 -10.052 2.586 -10.493 1.00 0.00 C ATOM 1105 O THR A 72 -10.793 2.963 -11.380 1.00 0.00 O ATOM 1106 CB THR A 72 -11.470 1.365 -8.767 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.642 1.551 -9.552 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.366 2.636 -7.878 1.00 0.00 C ATOM 0 H THR A 72 -8.625 1.497 -8.483 1.00 0.00 H new ATOM 0 HA THR A 72 -10.554 0.528 -10.564 1.00 0.00 H new ATOM 0 HB THR A 72 -11.465 0.484 -8.126 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.429 2.106 -10.331 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.208 2.666 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.434 2.610 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.383 3.524 -8.510 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.014 3.255 -10.068 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.638 4.579 -10.660 1.00 0.00 C ATOM 1118 C TYR A 73 -7.480 4.445 -11.663 1.00 0.00 C ATOM 1119 O TYR A 73 -7.037 5.425 -12.226 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.241 5.535 -9.513 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.433 6.437 -9.166 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -9.721 7.545 -9.940 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.234 6.153 -8.078 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -10.793 8.354 -9.631 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.307 6.961 -7.767 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.594 8.068 -8.541 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.669 8.874 -8.226 1.00 0.00 O ATOM 0 H TYR A 73 -8.397 2.936 -9.321 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.493 4.976 -11.207 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.937 4.963 -8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.386 6.142 -9.810 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.101 7.779 -10.793 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.018 5.290 -7.465 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.009 9.217 -10.244 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.926 6.727 -6.914 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.120 8.522 -7.430 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.029 3.233 -11.852 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.891 2.936 -12.787 1.00 0.00 C ATOM 1139 C VAL A 74 -6.370 1.975 -13.888 1.00 0.00 C ATOM 1140 O VAL A 74 -7.523 1.585 -13.919 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.727 2.296 -11.975 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -3.959 3.400 -11.189 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.279 1.199 -11.004 1.00 0.00 C ATOM 0 H VAL A 74 -7.410 2.410 -11.386 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.539 3.855 -13.256 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.033 1.817 -12.665 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.146 2.945 -10.623 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.550 4.128 -11.890 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.643 3.901 -10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.453 0.761 -10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.989 1.650 -10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.779 0.421 -11.581 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.455 1.623 -14.759 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.771 0.707 -15.896 1.00 0.00 C ATOM 1155 C GLU A 75 -4.523 -0.107 -16.243 1.00 0.00 C ATOM 1156 O GLU A 75 -3.580 0.397 -16.819 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.212 1.546 -17.098 1.00 0.00 C ATOM 1158 CG GLU A 75 -6.695 0.635 -18.253 1.00 0.00 C ATOM 1159 CD GLU A 75 -8.101 1.080 -18.691 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -8.154 2.018 -19.470 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -9.044 0.461 -18.223 1.00 0.00 O ATOM 0 H GLU A 75 -4.486 1.939 -14.727 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.575 0.023 -15.623 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.014 2.222 -16.801 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.383 2.166 -17.439 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.003 0.694 -19.093 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.714 -0.405 -17.929 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.577 -1.359 -15.871 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.567 -2.364 -16.323 1.00 0.00 C ATOM 1170 C TYR A 76 -3.266 -2.210 -17.822 1.00 0.00 C ATOM 1171 O TYR A 76 -4.180 -2.181 -18.624 1.00 0.00 O ATOM 1172 CB TYR A 76 -4.136 -3.755 -16.025 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.117 -4.833 -16.382 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -2.114 -5.159 -15.494 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.201 -5.505 -17.588 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -1.211 -6.144 -15.799 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.294 -6.493 -17.893 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.298 -6.816 -16.997 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.403 -7.821 -17.282 1.00 0.00 O ATOM 0 H TYR A 76 -5.298 -1.737 -15.257 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.626 -2.214 -15.794 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.399 -3.829 -14.970 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.053 -3.909 -16.594 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.039 -4.635 -14.553 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.981 -5.253 -18.292 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.429 -6.394 -15.097 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.362 -7.016 -18.835 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.582 -8.592 -16.704 1.00 0.00 H new ATOM 1189 N ILE A 77 -2.000 -2.115 -18.149 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.588 -1.893 -19.572 1.00 0.00 C ATOM 1191 C ILE A 77 -0.582 -2.952 -20.035 1.00 0.00 C ATOM 1192 O ILE A 77 -0.846 -3.649 -20.997 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.967 -0.459 -19.719 1.00 0.00 C ATOM 1194 CG1 ILE A 77 -0.080 -0.067 -18.492 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -2.105 0.583 -19.873 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.073 0.856 -18.930 1.00 0.00 C ATOM 0 H ILE A 77 -1.228 -2.182 -17.486 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.473 -1.978 -20.203 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.329 -0.469 -20.603 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.690 0.435 -17.741 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.323 -0.966 -18.026 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.675 1.579 -19.975 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.694 0.350 -20.760 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.747 0.554 -18.993 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.679 1.118 -18.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.693 0.341 -19.664 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.664 1.763 -19.374 1.00 0.00 H new ATOM 1208 N GLY A 78 0.531 -3.050 -19.355 1.00 0.00 N ATOM 1209 CA GLY A 78 1.714 -3.761 -19.928 1.00 0.00 C ATOM 1210 C GLY A 78 2.214 -4.789 -18.916 1.00 0.00 C ATOM 1211 O GLY A 78 1.974 -4.659 -17.732 1.00 0.00 O ATOM 0 H GLY A 78 0.672 -2.665 -18.421 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.442 -4.253 -20.862 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.505 -3.048 -20.162 1.00 0.00 H new ATOM 1215 N ARG A 79 2.895 -5.786 -19.421 1.00 0.00 N ATOM 1216 CA ARG A 79 3.459 -6.848 -18.530 1.00 0.00 C ATOM 1217 C ARG A 79 4.723 -7.475 -19.111 1.00 0.00 C ATOM 1218 O ARG A 79 4.942 -7.490 -20.308 1.00 0.00 O ATOM 1219 CB ARG A 79 2.424 -7.984 -18.298 1.00 0.00 C ATOM 1220 CG ARG A 79 1.393 -8.119 -19.456 1.00 0.00 C ATOM 1221 CD ARG A 79 2.049 -8.565 -20.775 1.00 0.00 C ATOM 1222 NE ARG A 79 0.977 -9.109 -21.663 1.00 0.00 N ATOM 1223 CZ ARG A 79 0.231 -8.297 -22.363 1.00 0.00 C ATOM 1224 NH1 ARG A 79 0.612 -7.962 -23.564 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -0.877 -7.844 -21.844 1.00 0.00 N ATOM 0 H ARG A 79 3.086 -5.912 -20.415 1.00 0.00 H new ATOM 0 HA ARG A 79 3.703 -6.356 -17.589 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.953 -8.930 -18.179 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.891 -7.797 -17.366 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.625 -8.839 -19.173 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.893 -7.162 -19.607 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.551 -7.724 -21.254 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.808 -9.324 -20.586 1.00 0.00 H new ATOM 0 HE ARG A 79 0.828 -10.116 -21.722 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.482 -8.333 -23.945 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.040 -7.329 -24.123 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.151 -8.125 -20.902 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.469 -7.209 -22.380 1.00 0.00 H new