USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 640 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 21 GLN : amide:sc= 0.977 K(o=2.5,f=-4.8) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -152:sc= 1.57 (180deg=0.39) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 31:sc= 0.895 USER MOD Single : A 13 CYS SG : rot -92:sc= 0.451 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= 1.59 (180deg=0.809) USER MOD Single : A 19 TYR OH : rot -168:sc= 0.338 USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= -0.0636! (180deg=-0.116) USER MOD Single : A 28 HIS : no HD1:sc= -0.0857 K(o=-0.086,f=-0.69) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 67:sc= 0.765 USER MOD Single : A 51 THR OG1 : rot 180:sc=0.000401 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.691 K(o=-0.69,f=-6!) USER MOD Single : A 59 SER OG : rot 88:sc= 1.84 USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= 0.724 (180deg=0.298) USER MOD Single : A 61 LYS NZ :NH3+ -121:sc= 1.19 (180deg=-0.244) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 2.31 (180deg=2.22) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00189) USER MOD Single : A 78 THR OG1 : rot 60:sc= 1.27 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.013 1.862 -1.538 1.00 0.00 N ATOM 21 CA ALA A 2 4.914 2.879 -2.076 1.00 0.00 C ATOM 22 C ALA A 2 4.217 3.635 -3.228 1.00 0.00 C ATOM 23 O ALA A 2 3.435 3.043 -3.977 1.00 0.00 O ATOM 24 CB ALA A 2 6.203 2.192 -2.535 1.00 0.00 C ATOM 0 HA ALA A 2 5.168 3.616 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.888 2.937 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.671 1.692 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.969 1.457 -3.305 1.00 0.00 H new ATOM 30 N LEU A 3 4.438 4.947 -3.340 1.00 0.00 N ATOM 31 CA LEU A 3 3.599 5.835 -4.142 1.00 0.00 C ATOM 32 C LEU A 3 4.104 5.921 -5.587 1.00 0.00 C ATOM 33 O LEU A 3 5.172 6.448 -5.861 1.00 0.00 O ATOM 34 CB LEU A 3 3.523 7.222 -3.490 1.00 0.00 C ATOM 35 CG LEU A 3 2.196 7.954 -3.720 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.008 7.320 -2.996 1.00 0.00 C ATOM 37 CD2 LEU A 3 2.345 9.401 -3.251 1.00 0.00 C ATOM 0 H LEU A 3 5.209 5.424 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 3 2.592 5.420 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.685 7.116 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.336 7.837 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 3 1.983 7.891 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.105 7.893 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.876 6.295 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.195 7.319 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.407 9.933 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.596 9.416 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.138 9.888 -3.818 1.00 0.00 H new ATOM 49 N ALA A 4 3.312 5.386 -6.499 1.00 0.00 N ATOM 50 CA ALA A 4 3.599 5.204 -7.916 1.00 0.00 C ATOM 51 C ALA A 4 3.462 6.507 -8.739 1.00 0.00 C ATOM 52 O ALA A 4 2.336 6.893 -9.059 1.00 0.00 O ATOM 53 CB ALA A 4 2.650 4.085 -8.382 1.00 0.00 C ATOM 0 H ALA A 4 2.384 5.042 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 4 4.641 4.927 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.809 3.892 -9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.851 3.177 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.617 4.393 -8.220 1.00 0.00 H new ATOM 59 N VAL A 5 4.556 7.183 -9.117 1.00 0.00 N ATOM 60 CA VAL A 5 4.555 8.447 -9.881 1.00 0.00 C ATOM 61 C VAL A 5 5.087 8.220 -11.302 1.00 0.00 C ATOM 62 O VAL A 5 5.997 7.431 -11.538 1.00 0.00 O ATOM 63 CB VAL A 5 5.363 9.575 -9.194 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.082 10.973 -9.766 1.00 0.00 C ATOM 65 CG2 VAL A 5 5.183 9.715 -7.674 1.00 0.00 C ATOM 0 H VAL A 5 5.497 6.859 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 5 3.517 8.776 -9.923 1.00 0.00 H new ATOM 0 HB VAL A 5 6.378 9.239 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.684 11.711 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.337 10.991 -10.826 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.025 11.211 -9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.798 10.537 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.136 9.918 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.487 8.789 -7.185 1.00 0.00 H new ATOM 75 N ARG A 6 4.513 8.937 -12.261 1.00 0.00 N ATOM 76 CA ARG A 6 4.869 9.024 -13.684 1.00 0.00 C ATOM 77 C ARG A 6 4.935 10.478 -14.154 1.00 0.00 C ATOM 78 O ARG A 6 4.300 11.352 -13.563 1.00 0.00 O ATOM 79 CB ARG A 6 3.836 8.230 -14.518 1.00 0.00 C ATOM 80 CG ARG A 6 4.436 7.086 -15.348 1.00 0.00 C ATOM 81 CD ARG A 6 5.246 6.074 -14.530 1.00 0.00 C ATOM 82 NE ARG A 6 4.476 5.478 -13.430 1.00 0.00 N ATOM 83 CZ ARG A 6 4.956 4.841 -12.376 1.00 0.00 C ATOM 84 NH1 ARG A 6 6.150 4.341 -12.270 1.00 0.00 N ATOM 85 NH2 ARG A 6 4.211 4.689 -11.332 1.00 0.00 N ATOM 0 H ARG A 6 3.711 9.530 -12.048 1.00 0.00 H new ATOM 0 HA ARG A 6 5.860 8.592 -13.823 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.083 7.819 -13.846 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.322 8.919 -15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.629 6.561 -15.859 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.079 7.510 -16.120 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.600 5.282 -15.190 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.129 6.567 -14.123 1.00 0.00 H new ATOM 0 HE ARG A 6 3.461 5.565 -13.486 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.808 4.424 -13.045 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.429 3.865 -11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.261 5.059 -11.325 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.573 4.199 -10.514 1.00 0.00 H new ATOM 99 N VAL A 7 5.623 10.714 -15.271 1.00 0.00 N ATOM 100 CA VAL A 7 5.607 11.965 -16.038 1.00 0.00 C ATOM 101 C VAL A 7 5.645 11.593 -17.518 1.00 0.00 C ATOM 102 O VAL A 7 6.601 10.950 -17.948 1.00 0.00 O ATOM 103 CB VAL A 7 6.799 12.899 -15.733 1.00 0.00 C ATOM 104 CG1 VAL A 7 6.538 14.300 -16.308 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.157 13.048 -14.254 1.00 0.00 C ATOM 0 H VAL A 7 6.234 10.010 -15.686 1.00 0.00 H new ATOM 0 HA VAL A 7 4.707 12.513 -15.760 1.00 0.00 H new ATOM 0 HB VAL A 7 7.650 12.412 -16.209 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.386 14.948 -16.086 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.407 14.231 -17.388 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.636 14.716 -15.859 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.006 13.724 -14.151 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.303 13.453 -13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.418 12.073 -13.843 1.00 0.00 H new ATOM 115 N VAL A 8 4.624 11.956 -18.291 1.00 0.00 N ATOM 116 CA VAL A 8 4.689 11.916 -19.770 1.00 0.00 C ATOM 117 C VAL A 8 5.307 13.219 -20.282 1.00 0.00 C ATOM 118 O VAL A 8 4.970 14.290 -19.780 1.00 0.00 O ATOM 119 CB VAL A 8 3.305 11.692 -20.419 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.415 11.471 -21.935 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.570 10.474 -19.849 1.00 0.00 C ATOM 0 H VAL A 8 3.731 12.285 -17.925 1.00 0.00 H new ATOM 0 HA VAL A 8 5.310 11.066 -20.053 1.00 0.00 H new ATOM 0 HB VAL A 8 2.746 12.601 -20.196 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.420 11.317 -22.353 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.872 12.345 -22.398 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.031 10.593 -22.131 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.604 10.368 -20.343 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.166 9.577 -20.019 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.417 10.610 -18.778 1.00 0.00 H new ATOM 131 N TYR A 9 6.203 13.175 -21.273 1.00 0.00 N ATOM 132 CA TYR A 9 6.702 14.381 -21.956 1.00 0.00 C ATOM 133 C TYR A 9 7.046 14.083 -23.414 1.00 0.00 C ATOM 134 O TYR A 9 7.330 12.947 -23.776 1.00 0.00 O ATOM 135 CB TYR A 9 7.925 14.944 -21.205 1.00 0.00 C ATOM 136 CG TYR A 9 8.663 16.104 -21.854 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.062 17.371 -21.902 1.00 0.00 C ATOM 138 CD2 TYR A 9 9.942 15.925 -22.412 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.705 18.456 -22.522 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.597 17.009 -23.036 1.00 0.00 C ATOM 141 CZ TYR A 9 9.973 18.274 -23.104 1.00 0.00 C ATOM 142 OH TYR A 9 10.597 19.320 -23.709 1.00 0.00 O ATOM 0 H TYR A 9 6.604 12.306 -21.626 1.00 0.00 H new ATOM 0 HA TYR A 9 5.913 15.133 -21.952 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.597 15.263 -20.216 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.636 14.131 -21.058 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.089 17.515 -21.455 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.423 14.959 -22.363 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.228 19.425 -22.552 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.579 16.870 -23.463 1.00 0.00 H new ATOM 0 HH TYR A 9 11.464 19.026 -24.058 1.00 0.00 H new ATOM 152 N SER A 10 7.085 15.110 -24.257 1.00 0.00 N ATOM 153 CA SER A 10 7.573 15.025 -25.632 1.00 0.00 C ATOM 154 C SER A 10 9.105 15.131 -25.670 1.00 0.00 C ATOM 155 O SER A 10 9.657 16.232 -25.739 1.00 0.00 O ATOM 156 CB SER A 10 6.854 16.076 -26.475 1.00 0.00 C ATOM 157 OG SER A 10 7.273 17.405 -26.224 1.00 0.00 O ATOM 0 H SER A 10 6.772 16.046 -23.999 1.00 0.00 H new ATOM 0 HA SER A 10 7.343 14.052 -26.066 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.011 15.850 -27.530 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.782 16.003 -26.290 1.00 0.00 H new ATOM 0 HG SER A 10 8.218 17.406 -25.963 1.00 0.00 H new ATOM 163 N GLY A 11 9.784 13.987 -25.544 1.00 0.00 N ATOM 164 CA GLY A 11 11.217 13.784 -25.286 1.00 0.00 C ATOM 165 C GLY A 11 12.183 14.208 -26.400 1.00 0.00 C ATOM 166 O GLY A 11 13.027 13.421 -26.823 1.00 0.00 O ATOM 0 H GLY A 11 9.300 13.093 -25.628 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.481 14.330 -24.380 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.379 12.726 -25.079 1.00 0.00 H new ATOM 170 N ALA A 12 12.105 15.462 -26.843 1.00 0.00 N ATOM 171 CA ALA A 12 12.963 16.103 -27.846 1.00 0.00 C ATOM 172 C ALA A 12 14.387 16.428 -27.319 1.00 0.00 C ATOM 173 O ALA A 12 14.855 17.562 -27.388 1.00 0.00 O ATOM 174 CB ALA A 12 12.215 17.346 -28.346 1.00 0.00 C ATOM 0 H ALA A 12 11.394 16.102 -26.489 1.00 0.00 H new ATOM 0 HA ALA A 12 13.146 15.414 -28.670 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.818 17.856 -29.097 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.265 17.046 -28.787 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.030 18.020 -27.510 1.00 0.00 H new ATOM 180 N CYS A 13 15.072 15.418 -26.773 1.00 0.00 N ATOM 181 CA CYS A 13 16.302 15.526 -25.974 1.00 0.00 C ATOM 182 C CYS A 13 16.159 16.458 -24.743 1.00 0.00 C ATOM 183 O CYS A 13 15.057 16.875 -24.384 1.00 0.00 O ATOM 184 CB CYS A 13 17.487 15.860 -26.900 1.00 0.00 C ATOM 185 SG CYS A 13 19.051 15.298 -26.159 1.00 0.00 S ATOM 0 H CYS A 13 14.769 14.450 -26.881 1.00 0.00 H new ATOM 0 HA CYS A 13 16.509 14.558 -25.518 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.345 15.383 -27.870 1.00 0.00 H new ATOM 0 HB3 CYS A 13 17.527 16.935 -27.077 1.00 0.00 H new ATOM 0 HG CYS A 13 19.574 16.264 -25.464 1.00 0.00 H new ATOM 191 N GLY A 14 17.245 16.663 -23.986 1.00 0.00 N ATOM 192 CA GLY A 14 17.352 17.475 -22.755 1.00 0.00 C ATOM 193 C GLY A 14 16.533 17.010 -21.534 1.00 0.00 C ATOM 194 O GLY A 14 16.839 17.372 -20.399 1.00 0.00 O ATOM 0 H GLY A 14 18.139 16.237 -24.231 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.402 17.512 -22.464 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.052 18.495 -22.995 1.00 0.00 H new ATOM 198 N TYR A 15 15.496 16.199 -21.744 1.00 0.00 N ATOM 199 CA TYR A 15 14.493 15.839 -20.745 1.00 0.00 C ATOM 200 C TYR A 15 15.045 15.043 -19.560 1.00 0.00 C ATOM 201 O TYR A 15 14.567 15.237 -18.449 1.00 0.00 O ATOM 202 CB TYR A 15 13.338 15.091 -21.427 1.00 0.00 C ATOM 203 CG TYR A 15 13.676 13.721 -21.988 1.00 0.00 C ATOM 204 CD1 TYR A 15 14.131 13.586 -23.314 1.00 0.00 C ATOM 205 CD2 TYR A 15 13.513 12.577 -21.183 1.00 0.00 C ATOM 206 CE1 TYR A 15 14.457 12.315 -23.825 1.00 0.00 C ATOM 207 CE2 TYR A 15 13.841 11.305 -21.689 1.00 0.00 C ATOM 208 CZ TYR A 15 14.327 11.171 -23.007 1.00 0.00 C ATOM 209 OH TYR A 15 14.704 9.949 -23.465 1.00 0.00 O ATOM 0 H TYR A 15 15.326 15.759 -22.649 1.00 0.00 H new ATOM 0 HA TYR A 15 14.131 16.771 -20.311 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.528 14.978 -20.706 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.958 15.711 -22.239 1.00 0.00 H new ATOM 0 HD1 TYR A 15 14.230 14.460 -23.941 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.136 12.676 -20.176 1.00 0.00 H new ATOM 0 HE1 TYR A 15 14.806 12.215 -24.842 1.00 0.00 H new ATOM 0 HE2 TYR A 15 13.720 10.430 -21.067 1.00 0.00 H new ATOM 0 HH TYR A 15 14.546 9.276 -22.770 1.00 0.00 H new ATOM 219 N LYS A 16 16.053 14.185 -19.770 1.00 0.00 N ATOM 220 CA LYS A 16 16.665 13.341 -18.724 1.00 0.00 C ATOM 221 C LYS A 16 17.084 14.126 -17.467 1.00 0.00 C ATOM 222 O LYS A 16 16.461 13.891 -16.437 1.00 0.00 O ATOM 223 CB LYS A 16 17.793 12.462 -19.300 1.00 0.00 C ATOM 224 CG LYS A 16 17.259 11.287 -20.147 1.00 0.00 C ATOM 225 CD LYS A 16 17.554 9.905 -19.539 1.00 0.00 C ATOM 226 CE LYS A 16 19.051 9.566 -19.607 1.00 0.00 C ATOM 227 NZ LYS A 16 19.342 8.222 -19.042 1.00 0.00 N ATOM 0 H LYS A 16 16.477 14.053 -20.688 1.00 0.00 H new ATOM 0 HA LYS A 16 15.885 12.665 -18.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.450 13.078 -19.914 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.396 12.070 -18.481 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.182 11.398 -20.269 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.700 11.338 -21.143 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.223 9.885 -18.501 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.983 9.144 -20.070 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.385 9.604 -20.644 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.619 10.320 -19.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.362 8.032 -19.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.047 8.193 -18.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.820 7.500 -19.578 1.00 0.00 H new ATOM 241 N PRO A 17 18.065 15.051 -17.483 1.00 0.00 N ATOM 242 CA PRO A 17 18.426 15.802 -16.275 1.00 0.00 C ATOM 243 C PRO A 17 17.297 16.718 -15.777 1.00 0.00 C ATOM 244 O PRO A 17 17.168 16.895 -14.570 1.00 0.00 O ATOM 245 CB PRO A 17 19.685 16.593 -16.646 1.00 0.00 C ATOM 246 CG PRO A 17 19.576 16.751 -18.163 1.00 0.00 C ATOM 247 CD PRO A 17 18.922 15.439 -18.593 1.00 0.00 C ATOM 0 HA PRO A 17 18.605 15.125 -15.440 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.714 17.560 -16.143 1.00 0.00 H new ATOM 0 HB3 PRO A 17 20.592 16.059 -16.363 1.00 0.00 H new ATOM 0 HG2 PRO A 17 18.970 17.614 -18.437 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.553 16.887 -18.627 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.344 15.570 -19.508 1.00 0.00 H new ATOM 0 HD3 PRO A 17 19.672 14.674 -18.796 1.00 0.00 H new ATOM 255 N LYS A 18 16.430 17.245 -16.659 1.00 0.00 N ATOM 256 CA LYS A 18 15.239 18.025 -16.257 1.00 0.00 C ATOM 257 C LYS A 18 14.264 17.204 -15.399 1.00 0.00 C ATOM 258 O LYS A 18 13.706 17.720 -14.435 1.00 0.00 O ATOM 259 CB LYS A 18 14.553 18.601 -17.509 1.00 0.00 C ATOM 260 CG LYS A 18 13.391 19.545 -17.155 1.00 0.00 C ATOM 261 CD LYS A 18 12.764 20.170 -18.407 1.00 0.00 C ATOM 262 CE LYS A 18 11.616 21.101 -17.995 1.00 0.00 C ATOM 263 NZ LYS A 18 10.979 21.741 -19.170 1.00 0.00 N ATOM 0 H LYS A 18 16.532 17.144 -17.669 1.00 0.00 H new ATOM 0 HA LYS A 18 15.569 18.850 -15.625 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.287 19.140 -18.107 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.179 17.783 -18.125 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.629 18.993 -16.604 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.752 20.335 -16.496 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.517 20.728 -18.964 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.392 19.388 -19.069 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.869 20.533 -17.440 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.995 21.871 -17.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.972 21.910 -18.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.449 22.647 -19.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.068 21.116 -19.996 1.00 0.00 H new ATOM 277 N TYR A 19 14.068 15.936 -15.762 1.00 0.00 N ATOM 278 CA TYR A 19 13.337 14.925 -14.999 1.00 0.00 C ATOM 279 C TYR A 19 14.058 14.629 -13.684 1.00 0.00 C ATOM 280 O TYR A 19 13.463 14.796 -12.621 1.00 0.00 O ATOM 281 CB TYR A 19 13.190 13.639 -15.834 1.00 0.00 C ATOM 282 CG TYR A 19 11.925 13.538 -16.659 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.459 14.636 -17.413 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.213 12.322 -16.663 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.254 14.535 -18.136 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.033 12.213 -17.413 1.00 0.00 C ATOM 287 CZ TYR A 19 9.546 13.316 -18.133 1.00 0.00 C ATOM 288 OH TYR A 19 8.373 13.183 -18.790 1.00 0.00 O ATOM 0 H TYR A 19 14.433 15.568 -16.640 1.00 0.00 H new ATOM 0 HA TYR A 19 12.343 15.308 -14.768 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.047 13.562 -16.504 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.233 12.783 -15.161 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.027 15.555 -17.436 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.574 11.479 -16.092 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.876 15.383 -18.687 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.496 11.276 -17.437 1.00 0.00 H new ATOM 0 HH TYR A 19 7.941 12.345 -18.522 1.00 0.00 H new ATOM 298 N LEU A 20 15.334 14.222 -13.747 1.00 0.00 N ATOM 299 CA LEU A 20 16.125 13.849 -12.572 1.00 0.00 C ATOM 300 C LEU A 20 16.063 14.922 -11.485 1.00 0.00 C ATOM 301 O LEU A 20 15.833 14.623 -10.331 1.00 0.00 O ATOM 302 CB LEU A 20 17.594 13.616 -12.943 1.00 0.00 C ATOM 303 CG LEU A 20 17.958 12.456 -13.896 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.369 11.946 -13.596 1.00 0.00 C ATOM 305 CD2 LEU A 20 16.995 11.266 -13.893 1.00 0.00 C ATOM 0 H LEU A 20 15.848 14.143 -14.624 1.00 0.00 H new ATOM 0 HA LEU A 20 15.691 12.925 -12.189 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.969 14.537 -13.390 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.146 13.464 -12.016 1.00 0.00 H new ATOM 0 HG LEU A 20 17.888 12.895 -14.891 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.612 11.129 -14.275 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.085 12.756 -13.732 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.416 11.589 -12.567 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.347 10.512 -14.597 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.951 10.836 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.001 11.602 -14.188 1.00 0.00 H new ATOM 317 N GLN A 21 16.211 16.197 -11.820 1.00 0.00 N ATOM 318 CA GLN A 21 16.251 17.263 -10.817 1.00 0.00 C ATOM 319 C GLN A 21 14.934 17.450 -10.040 1.00 0.00 C ATOM 320 O GLN A 21 14.978 17.997 -8.939 1.00 0.00 O ATOM 321 CB GLN A 21 16.697 18.572 -11.502 1.00 0.00 C ATOM 322 CG GLN A 21 17.971 19.163 -10.889 1.00 0.00 C ATOM 323 CD GLN A 21 17.755 19.685 -9.477 1.00 0.00 C ATOM 324 OE1 GLN A 21 18.106 19.055 -8.492 1.00 0.00 O ATOM 325 NE2 GLN A 21 17.207 20.870 -9.329 1.00 0.00 N ATOM 0 H GLN A 21 16.306 16.523 -12.782 1.00 0.00 H new ATOM 0 HA GLN A 21 16.974 16.969 -10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.864 18.382 -12.562 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.893 19.305 -11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.750 18.401 -10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.331 19.975 -11.521 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.912 21.401 -10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.077 21.259 -8.395 1.00 0.00 H new ATOM 334 N LEU A 22 13.798 16.951 -10.548 1.00 0.00 N ATOM 335 CA LEU A 22 12.592 16.711 -9.745 1.00 0.00 C ATOM 336 C LEU A 22 12.630 15.322 -9.082 1.00 0.00 C ATOM 337 O LEU A 22 12.317 15.203 -7.898 1.00 0.00 O ATOM 338 CB LEU A 22 11.348 16.912 -10.635 1.00 0.00 C ATOM 339 CG LEU A 22 10.022 16.986 -9.845 1.00 0.00 C ATOM 340 CD1 LEU A 22 8.983 17.797 -10.623 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.386 15.617 -9.577 1.00 0.00 C ATOM 0 H LEU A 22 13.690 16.702 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 22 12.545 17.430 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.469 17.830 -11.211 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.288 16.092 -11.351 1.00 0.00 H new ATOM 0 HG LEU A 22 10.287 17.449 -8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.054 17.840 -10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.357 18.808 -10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.797 17.321 -11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.459 15.749 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.171 15.124 -10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.075 15.003 -8.997 1.00 0.00 H new ATOM 353 N LYS A 23 13.045 14.280 -9.814 1.00 0.00 N ATOM 354 CA LYS A 23 13.046 12.876 -9.359 1.00 0.00 C ATOM 355 C LYS A 23 13.947 12.648 -8.139 1.00 0.00 C ATOM 356 O LYS A 23 13.470 12.238 -7.090 1.00 0.00 O ATOM 357 CB LYS A 23 13.455 11.953 -10.525 1.00 0.00 C ATOM 358 CG LYS A 23 12.632 10.675 -10.584 1.00 0.00 C ATOM 359 CD LYS A 23 13.249 9.560 -9.742 1.00 0.00 C ATOM 360 CE LYS A 23 14.490 9.026 -10.443 1.00 0.00 C ATOM 361 NZ LYS A 23 15.162 8.051 -9.567 1.00 0.00 N ATOM 0 H LYS A 23 13.399 14.389 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 23 12.033 12.633 -9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.346 12.493 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.510 11.696 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.621 10.878 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.549 10.344 -11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.510 9.938 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.526 8.757 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.214 8.555 -11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.168 9.845 -10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.787 7.445 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.726 8.556 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.449 7.462 -9.091 1.00 0.00 H new ATOM 375 N GLU A 24 15.219 13.008 -8.275 1.00 0.00 N ATOM 376 CA GLU A 24 16.293 13.093 -7.278 1.00 0.00 C ATOM 377 C GLU A 24 16.084 14.219 -6.235 1.00 0.00 C ATOM 378 O GLU A 24 17.008 14.618 -5.519 1.00 0.00 O ATOM 379 CB GLU A 24 17.636 13.234 -8.036 1.00 0.00 C ATOM 380 CG GLU A 24 18.296 11.881 -8.335 1.00 0.00 C ATOM 381 CD GLU A 24 17.473 11.047 -9.325 1.00 0.00 C ATOM 382 OE1 GLU A 24 17.623 11.245 -10.547 1.00 0.00 O ATOM 383 OE2 GLU A 24 16.651 10.222 -8.873 1.00 0.00 O ATOM 0 H GLU A 24 15.568 13.280 -9.194 1.00 0.00 H new ATOM 0 HA GLU A 24 16.292 12.180 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.465 13.764 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.319 13.843 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.294 12.046 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.419 11.324 -7.406 1.00 0.00 H new ATOM 390 N LYS A 25 14.875 14.781 -6.170 1.00 0.00 N ATOM 391 CA LYS A 25 14.243 15.335 -4.971 1.00 0.00 C ATOM 392 C LYS A 25 13.211 14.368 -4.389 1.00 0.00 C ATOM 393 O LYS A 25 13.422 13.822 -3.320 1.00 0.00 O ATOM 394 CB LYS A 25 13.653 16.717 -5.316 1.00 0.00 C ATOM 395 CG LYS A 25 14.391 17.861 -4.614 1.00 0.00 C ATOM 396 CD LYS A 25 15.917 17.844 -4.771 1.00 0.00 C ATOM 397 CE LYS A 25 16.288 17.685 -6.245 1.00 0.00 C ATOM 398 NZ LYS A 25 17.710 17.329 -6.414 1.00 0.00 N ATOM 0 H LYS A 25 14.280 14.866 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 25 14.986 15.471 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.697 16.868 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.601 16.740 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.012 18.808 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.150 17.830 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.342 18.768 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.342 17.025 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.664 16.914 -6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.080 18.614 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.048 17.678 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.269 17.763 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.816 16.295 -6.376 1.00 0.00 H new ATOM 412 N LEU A 26 12.169 14.037 -5.139 1.00 0.00 N ATOM 413 CA LEU A 26 11.001 13.282 -4.677 1.00 0.00 C ATOM 414 C LEU A 26 11.336 11.905 -4.067 1.00 0.00 C ATOM 415 O LEU A 26 10.798 11.511 -3.038 1.00 0.00 O ATOM 416 CB LEU A 26 10.023 13.185 -5.864 1.00 0.00 C ATOM 417 CG LEU A 26 8.574 13.505 -5.487 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.363 14.979 -5.129 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.651 13.190 -6.669 1.00 0.00 C ATOM 0 H LEU A 26 12.107 14.294 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 26 10.543 13.814 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.346 13.870 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.068 12.179 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 26 8.344 12.895 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.317 15.145 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.993 15.241 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.629 15.602 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.621 13.419 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.942 13.793 -7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.733 12.133 -6.923 1.00 0.00 H new ATOM 431 N GLU A 27 12.259 11.183 -4.690 1.00 0.00 N ATOM 432 CA GLU A 27 12.873 9.960 -4.167 1.00 0.00 C ATOM 433 C GLU A 27 13.800 10.171 -2.963 1.00 0.00 C ATOM 434 O GLU A 27 13.837 9.327 -2.072 1.00 0.00 O ATOM 435 CB GLU A 27 13.680 9.306 -5.294 1.00 0.00 C ATOM 436 CG GLU A 27 13.043 7.988 -5.726 1.00 0.00 C ATOM 437 CD GLU A 27 13.791 7.389 -6.924 1.00 0.00 C ATOM 438 OE1 GLU A 27 15.037 7.461 -6.944 1.00 0.00 O ATOM 439 OE2 GLU A 27 13.155 6.937 -7.903 1.00 0.00 O ATOM 0 H GLU A 27 12.617 11.440 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 27 12.055 9.333 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.737 9.983 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.702 9.128 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.055 7.283 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.998 8.153 -5.989 1.00 0.00 H new ATOM 446 N HIS A 28 14.557 11.270 -2.922 1.00 0.00 N ATOM 447 CA HIS A 28 15.365 11.658 -1.759 1.00 0.00 C ATOM 448 C HIS A 28 14.506 12.007 -0.536 1.00 0.00 C ATOM 449 O HIS A 28 14.854 11.634 0.586 1.00 0.00 O ATOM 450 CB HIS A 28 16.265 12.846 -2.123 1.00 0.00 C ATOM 451 CG HIS A 28 17.169 13.339 -1.017 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.519 12.681 0.142 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.690 14.599 -0.941 1.00 0.00 C ATOM 454 CE1 HIS A 28 18.272 13.516 0.877 1.00 0.00 C ATOM 455 NE2 HIS A 28 18.422 14.690 0.247 1.00 0.00 N ATOM 0 H HIS A 28 14.628 11.923 -3.702 1.00 0.00 H new ATOM 0 HA HIS A 28 15.976 10.797 -1.488 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.883 12.564 -2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.633 13.672 -2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.560 15.386 -1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.697 13.275 1.840 1.00 0.00 H new ATOM 0 HE2 HIS A 28 18.963 15.492 0.571 1.00 0.00 H new ATOM 463 N GLU A 29 13.390 12.703 -0.761 1.00 0.00 N ATOM 464 CA GLU A 29 12.404 13.069 0.242 1.00 0.00 C ATOM 465 C GLU A 29 11.753 11.820 0.865 1.00 0.00 C ATOM 466 O GLU A 29 11.489 11.765 2.069 1.00 0.00 O ATOM 467 CB GLU A 29 11.316 13.922 -0.436 1.00 0.00 C ATOM 468 CG GLU A 29 11.508 15.448 -0.373 1.00 0.00 C ATOM 469 CD GLU A 29 12.167 16.063 -1.621 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.444 16.301 -2.621 1.00 0.00 O ATOM 471 OE2 GLU A 29 13.374 16.394 -1.550 1.00 0.00 O ATOM 0 H GLU A 29 13.143 13.039 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 29 12.898 13.627 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.254 13.628 -1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.357 13.679 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.536 15.917 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.116 15.689 0.499 1.00 0.00 H new ATOM 478 N PHE A 30 11.451 10.827 0.019 1.00 0.00 N ATOM 479 CA PHE A 30 10.562 9.702 0.322 1.00 0.00 C ATOM 480 C PHE A 30 11.141 8.326 -0.103 1.00 0.00 C ATOM 481 O PHE A 30 10.473 7.563 -0.815 1.00 0.00 O ATOM 482 CB PHE A 30 9.215 10.010 -0.358 1.00 0.00 C ATOM 483 CG PHE A 30 8.631 11.394 -0.095 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.480 11.864 1.221 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.306 12.247 -1.169 1.00 0.00 C ATOM 486 CE1 PHE A 30 8.017 13.167 1.462 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.836 13.551 -0.931 1.00 0.00 C ATOM 488 CZ PHE A 30 7.688 14.012 0.387 1.00 0.00 C ATOM 0 H PHE A 30 11.832 10.785 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 30 10.439 9.607 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.338 9.889 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.489 9.264 -0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.722 11.218 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.419 11.896 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.913 13.522 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.589 14.197 -1.761 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.323 15.011 0.574 1.00 0.00 H new ATOM 498 N PRO A 31 12.378 7.963 0.293 1.00 0.00 N ATOM 499 CA PRO A 31 13.098 6.842 -0.305 1.00 0.00 C ATOM 500 C PRO A 31 12.433 5.504 -0.005 1.00 0.00 C ATOM 501 O PRO A 31 12.146 5.164 1.141 1.00 0.00 O ATOM 502 CB PRO A 31 14.525 6.906 0.225 1.00 0.00 C ATOM 503 CG PRO A 31 14.384 7.680 1.536 1.00 0.00 C ATOM 504 CD PRO A 31 13.237 8.647 1.245 1.00 0.00 C ATOM 0 HA PRO A 31 13.090 6.920 -1.392 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.937 5.910 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.190 7.415 -0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.152 7.019 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.302 8.209 1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.693 8.894 2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.610 9.584 0.832 1.00 0.00 H new ATOM 512 N GLY A 32 12.158 4.762 -1.074 1.00 0.00 N ATOM 513 CA GLY A 32 11.359 3.532 -1.097 1.00 0.00 C ATOM 514 C GLY A 32 9.900 3.652 -0.640 1.00 0.00 C ATOM 515 O GLY A 32 9.113 2.749 -0.906 1.00 0.00 O ATOM 0 H GLY A 32 12.504 5.013 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.366 3.140 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.854 2.793 -0.467 1.00 0.00 H new ATOM 519 N CYS A 33 9.499 4.762 -0.016 1.00 0.00 N ATOM 520 CA CYS A 33 8.105 5.153 0.151 1.00 0.00 C ATOM 521 C CYS A 33 7.455 5.585 -1.171 1.00 0.00 C ATOM 522 O CYS A 33 6.240 5.779 -1.225 1.00 0.00 O ATOM 523 CB CYS A 33 7.983 6.290 1.165 1.00 0.00 C ATOM 524 SG CYS A 33 8.711 5.881 2.777 1.00 0.00 S ATOM 0 H CYS A 33 10.154 5.427 0.396 1.00 0.00 H new ATOM 0 HA CYS A 33 7.577 4.271 0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.472 7.179 0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.930 6.538 1.300 1.00 0.00 H new ATOM 0 HG CYS A 33 8.573 6.891 3.584 1.00 0.00 H new ATOM 530 N LEU A 34 8.255 5.757 -2.222 1.00 0.00 N ATOM 531 CA LEU A 34 7.887 6.263 -3.529 1.00 0.00 C ATOM 532 C LEU A 34 8.546 5.481 -4.668 1.00 0.00 C ATOM 533 O LEU A 34 9.563 4.812 -4.509 1.00 0.00 O ATOM 534 CB LEU A 34 8.303 7.749 -3.639 1.00 0.00 C ATOM 535 CG LEU A 34 7.096 8.675 -3.776 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.444 9.064 -2.443 1.00 0.00 C ATOM 537 CD2 LEU A 34 7.475 9.935 -4.554 1.00 0.00 C ATOM 0 H LEU A 34 9.248 5.528 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 34 6.807 6.149 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.877 8.031 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.958 7.879 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 34 6.349 8.100 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.596 9.722 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.100 8.166 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.173 9.581 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.604 10.584 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.269 10.464 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.823 9.657 -5.549 1.00 0.00 H new ATOM 549 N ASP A 35 7.963 5.688 -5.836 1.00 0.00 N ATOM 550 CA ASP A 35 8.402 5.387 -7.195 1.00 0.00 C ATOM 551 C ASP A 35 8.138 6.622 -8.052 1.00 0.00 C ATOM 552 O ASP A 35 7.063 7.205 -7.978 1.00 0.00 O ATOM 553 CB ASP A 35 7.502 4.258 -7.681 1.00 0.00 C ATOM 554 CG ASP A 35 7.283 4.102 -9.194 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.187 4.358 -10.016 1.00 0.00 O ATOM 556 OD2 ASP A 35 6.129 3.794 -9.583 1.00 0.00 O ATOM 0 H ASP A 35 7.045 6.132 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 35 9.456 5.115 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.912 3.320 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.525 4.387 -7.215 1.00 0.00 H new ATOM 561 N ILE A 36 9.068 6.980 -8.918 1.00 0.00 N ATOM 562 CA ILE A 36 8.856 7.896 -10.034 1.00 0.00 C ATOM 563 C ILE A 36 9.554 7.336 -11.279 1.00 0.00 C ATOM 564 O ILE A 36 10.780 7.324 -11.411 1.00 0.00 O ATOM 565 CB ILE A 36 9.384 9.308 -9.781 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.224 9.913 -8.372 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.895 10.301 -10.854 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.552 9.820 -7.610 1.00 0.00 C ATOM 0 H ILE A 36 10.025 6.632 -8.866 1.00 0.00 H new ATOM 0 HA ILE A 36 7.777 7.975 -10.169 1.00 0.00 H new ATOM 0 HB ILE A 36 10.460 9.150 -9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.910 10.954 -8.447 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.443 9.383 -7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.292 11.293 -10.639 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.242 9.976 -11.835 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.806 10.336 -10.847 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.432 10.249 -6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.848 8.775 -7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.322 10.370 -8.152 1.00 0.00 H new ATOM 580 N CYS A 37 8.738 6.941 -12.236 1.00 0.00 N ATOM 581 CA CYS A 37 9.149 6.699 -13.615 1.00 0.00 C ATOM 582 C CYS A 37 8.649 7.811 -14.544 1.00 0.00 C ATOM 583 O CYS A 37 8.159 8.852 -14.109 1.00 0.00 O ATOM 584 CB CYS A 37 8.734 5.291 -14.048 1.00 0.00 C ATOM 585 SG CYS A 37 9.453 4.018 -12.967 1.00 0.00 S ATOM 0 H CYS A 37 7.744 6.774 -12.078 1.00 0.00 H new ATOM 0 HA CYS A 37 10.236 6.735 -13.684 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.647 5.211 -14.032 1.00 0.00 H new ATOM 0 HB3 CYS A 37 9.052 5.118 -15.076 1.00 0.00 H new ATOM 0 HG CYS A 37 8.944 4.122 -11.775 1.00 0.00 H new ATOM 591 N GLY A 38 8.822 7.608 -15.848 1.00 0.00 N ATOM 592 CA GLY A 38 8.450 8.563 -16.890 1.00 0.00 C ATOM 593 C GLY A 38 8.340 7.967 -18.296 1.00 0.00 C ATOM 594 O GLY A 38 8.837 6.876 -18.558 1.00 0.00 O ATOM 0 H GLY A 38 9.236 6.753 -16.219 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.493 9.014 -16.626 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.187 9.366 -16.907 1.00 0.00 H new ATOM 598 N GLU A 39 7.725 8.730 -19.196 1.00 0.00 N ATOM 599 CA GLU A 39 7.235 8.366 -20.527 1.00 0.00 C ATOM 600 C GLU A 39 7.544 9.507 -21.516 1.00 0.00 C ATOM 601 O GLU A 39 6.680 10.132 -22.133 1.00 0.00 O ATOM 602 CB GLU A 39 5.731 8.099 -20.434 1.00 0.00 C ATOM 603 CG GLU A 39 5.378 6.811 -19.687 1.00 0.00 C ATOM 604 CD GLU A 39 3.863 6.734 -19.489 1.00 0.00 C ATOM 605 OE1 GLU A 39 3.174 6.315 -20.442 1.00 0.00 O ATOM 606 OE2 GLU A 39 3.423 7.125 -18.383 1.00 0.00 O ATOM 0 H GLU A 39 7.539 9.712 -18.995 1.00 0.00 H new ATOM 0 HA GLU A 39 7.730 7.465 -20.890 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.252 8.941 -19.934 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.317 8.049 -21.441 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.726 5.945 -20.250 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.883 6.788 -18.721 1.00 0.00 H new ATOM 702 N PHE A 47 3.803 19.199 -23.972 1.00 0.00 N ATOM 703 CA PHE A 47 3.068 18.616 -22.846 1.00 0.00 C ATOM 704 C PHE A 47 4.058 17.928 -21.890 1.00 0.00 C ATOM 705 O PHE A 47 5.015 17.306 -22.347 1.00 0.00 O ATOM 706 CB PHE A 47 2.041 17.595 -23.372 1.00 0.00 C ATOM 707 CG PHE A 47 1.055 18.011 -24.463 1.00 0.00 C ATOM 708 CD1 PHE A 47 0.909 19.343 -24.912 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.278 17.003 -25.065 1.00 0.00 C ATOM 710 CE1 PHE A 47 0.050 19.643 -25.985 1.00 0.00 C ATOM 711 CE2 PHE A 47 -0.596 17.304 -26.125 1.00 0.00 C ATOM 712 CZ PHE A 47 -0.699 18.622 -26.596 1.00 0.00 C ATOM 0 HA PHE A 47 2.540 19.402 -22.307 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.597 16.735 -23.746 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.457 17.250 -22.519 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.460 20.136 -24.428 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.354 15.986 -24.709 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.034 20.659 -26.340 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.188 16.521 -26.576 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.352 18.851 -27.425 1.00 0.00 H new ATOM 722 N PHE A 48 3.827 18.049 -20.581 1.00 0.00 N ATOM 723 CA PHE A 48 4.670 17.622 -19.457 1.00 0.00 C ATOM 724 C PHE A 48 3.737 17.258 -18.285 1.00 0.00 C ATOM 725 O PHE A 48 3.270 18.137 -17.556 1.00 0.00 O ATOM 726 CB PHE A 48 5.659 18.757 -19.105 1.00 0.00 C ATOM 727 CG PHE A 48 6.835 18.378 -18.212 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.641 18.091 -16.847 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.145 18.362 -18.733 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.739 17.770 -16.026 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.241 18.035 -17.919 1.00 0.00 C ATOM 732 CZ PHE A 48 9.039 17.735 -16.562 1.00 0.00 C ATOM 0 H PHE A 48 2.968 18.488 -20.249 1.00 0.00 H new ATOM 0 HA PHE A 48 5.269 16.746 -19.704 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.054 19.167 -20.035 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.102 19.556 -18.616 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.646 18.117 -16.428 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.308 18.605 -19.773 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.582 17.550 -14.980 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.237 18.014 -18.335 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.878 17.478 -15.933 1.00 0.00 H new ATOM 742 N GLU A 49 3.363 15.985 -18.156 1.00 0.00 N ATOM 743 CA GLU A 49 2.097 15.582 -17.556 1.00 0.00 C ATOM 744 C GLU A 49 2.320 14.621 -16.365 1.00 0.00 C ATOM 745 O GLU A 49 2.665 13.451 -16.556 1.00 0.00 O ATOM 746 CB GLU A 49 1.253 14.939 -18.667 1.00 0.00 C ATOM 747 CG GLU A 49 1.101 15.730 -19.986 1.00 0.00 C ATOM 748 CD GLU A 49 0.435 17.102 -19.816 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.768 17.153 -19.488 1.00 0.00 O ATOM 750 OE2 GLU A 49 1.087 18.156 -20.033 1.00 0.00 O ATOM 0 H GLU A 49 3.936 15.201 -18.468 1.00 0.00 H new ATOM 0 HA GLU A 49 1.574 16.445 -17.144 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.689 13.968 -18.904 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.256 14.752 -18.268 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.086 15.868 -20.431 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.515 15.137 -20.688 1.00 0.00 H new ATOM 757 N VAL A 50 2.165 15.112 -15.126 1.00 0.00 N ATOM 758 CA VAL A 50 2.616 14.407 -13.907 1.00 0.00 C ATOM 759 C VAL A 50 1.438 13.739 -13.221 1.00 0.00 C ATOM 760 O VAL A 50 0.478 14.401 -12.820 1.00 0.00 O ATOM 761 CB VAL A 50 3.319 15.324 -12.885 1.00 0.00 C ATOM 762 CG1 VAL A 50 3.864 14.534 -11.685 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.490 16.113 -13.488 1.00 0.00 C ATOM 0 H VAL A 50 1.723 16.011 -14.936 1.00 0.00 H new ATOM 0 HA VAL A 50 3.345 13.671 -14.245 1.00 0.00 H new ATOM 0 HB VAL A 50 2.544 16.020 -12.564 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.351 15.218 -10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.042 14.027 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.586 13.795 -12.033 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.942 16.739 -12.718 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.236 15.419 -13.875 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.125 16.743 -14.299 1.00 0.00 H new ATOM 773 N THR A 51 1.533 12.426 -13.038 1.00 0.00 N ATOM 774 CA THR A 51 0.553 11.584 -12.384 1.00 0.00 C ATOM 775 C THR A 51 1.163 10.872 -11.180 1.00 0.00 C ATOM 776 O THR A 51 2.273 10.361 -11.271 1.00 0.00 O ATOM 777 CB THR A 51 0.100 10.493 -13.360 1.00 0.00 C ATOM 778 OG1 THR A 51 1.054 10.174 -14.351 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.178 10.877 -14.082 1.00 0.00 C ATOM 0 H THR A 51 2.343 11.897 -13.362 1.00 0.00 H new ATOM 0 HA THR A 51 -0.275 12.217 -12.066 1.00 0.00 H new ATOM 0 HB THR A 51 -0.052 9.622 -12.723 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.698 9.472 -14.934 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.465 10.077 -14.764 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.974 11.036 -13.354 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.015 11.795 -14.647 1.00 0.00 H new ATOM 787 N VAL A 52 0.418 10.740 -10.081 1.00 0.00 N ATOM 788 CA VAL A 52 0.764 9.938 -8.897 1.00 0.00 C ATOM 789 C VAL A 52 -0.422 9.078 -8.473 1.00 0.00 C ATOM 790 O VAL A 52 -1.536 9.575 -8.366 1.00 0.00 O ATOM 791 CB VAL A 52 1.260 10.838 -7.757 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.254 11.898 -7.292 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.653 9.980 -6.555 1.00 0.00 C ATOM 0 H VAL A 52 -0.483 11.208 -9.984 1.00 0.00 H new ATOM 0 HA VAL A 52 1.582 9.265 -9.153 1.00 0.00 H new ATOM 0 HB VAL A 52 2.113 11.378 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.692 12.486 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.006 12.555 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.652 11.408 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.004 10.623 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.787 9.412 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.448 9.292 -6.843 1.00 0.00 H new ATOM 803 N ALA A 53 -0.218 7.773 -8.295 1.00 0.00 N ATOM 804 CA ALA A 53 -1.252 6.750 -8.082 1.00 0.00 C ATOM 805 C ALA A 53 -2.511 6.901 -8.985 1.00 0.00 C ATOM 806 O ALA A 53 -3.632 6.625 -8.565 1.00 0.00 O ATOM 807 CB ALA A 53 -1.578 6.708 -6.581 1.00 0.00 C ATOM 0 H ALA A 53 0.721 7.376 -8.295 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.852 5.787 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.344 5.955 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.678 6.455 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.943 7.684 -6.261 1.00 0.00 H new ATOM 813 N GLY A 54 -2.348 7.396 -10.221 1.00 0.00 N ATOM 814 CA GLY A 54 -3.431 7.677 -11.179 1.00 0.00 C ATOM 815 C GLY A 54 -4.065 9.076 -11.074 1.00 0.00 C ATOM 816 O GLY A 54 -5.037 9.366 -11.765 1.00 0.00 O ATOM 0 H GLY A 54 -1.426 7.620 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.041 7.549 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.214 6.931 -11.043 1.00 0.00 H new ATOM 820 N LYS A 55 -3.539 9.962 -10.223 1.00 0.00 N ATOM 821 CA LYS A 55 -3.964 11.357 -10.022 1.00 0.00 C ATOM 822 C LYS A 55 -3.054 12.314 -10.792 1.00 0.00 C ATOM 823 O LYS A 55 -1.902 12.501 -10.410 1.00 0.00 O ATOM 824 CB LYS A 55 -3.977 11.717 -8.529 1.00 0.00 C ATOM 825 CG LYS A 55 -4.707 10.735 -7.599 1.00 0.00 C ATOM 826 CD LYS A 55 -6.206 10.637 -7.901 1.00 0.00 C ATOM 827 CE LYS A 55 -6.856 9.705 -6.874 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.328 9.660 -7.043 1.00 0.00 N ATOM 0 H LYS A 55 -2.757 9.712 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.979 11.458 -10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.945 11.807 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.436 12.699 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.256 9.747 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.569 11.050 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.665 11.625 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.364 10.256 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.445 8.701 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.614 10.045 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.740 9.021 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.721 10.615 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.558 9.313 -7.996 1.00 0.00 H new ATOM 842 N LEU A 56 -3.537 12.882 -11.897 1.00 0.00 N ATOM 843 CA LEU A 56 -2.916 14.010 -12.598 1.00 0.00 C ATOM 844 C LEU A 56 -2.863 15.240 -11.696 1.00 0.00 C ATOM 845 O LEU A 56 -3.886 15.747 -11.242 1.00 0.00 O ATOM 846 CB LEU A 56 -3.675 14.228 -13.911 1.00 0.00 C ATOM 847 CG LEU A 56 -3.262 15.320 -14.914 1.00 0.00 C ATOM 848 CD1 LEU A 56 -3.447 16.757 -14.428 1.00 0.00 C ATOM 849 CD2 LEU A 56 -1.829 15.092 -15.370 1.00 0.00 C ATOM 0 H LEU A 56 -4.396 12.562 -12.344 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.876 13.800 -12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.653 13.280 -14.449 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.715 14.420 -13.646 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.953 15.219 -15.751 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.127 17.449 -15.207 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.498 16.931 -14.198 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.848 16.918 -13.532 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.545 15.869 -16.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.163 15.127 -14.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.751 14.116 -15.850 1.00 0.00 H new ATOM 861 N VAL A 57 -1.639 15.686 -11.440 1.00 0.00 N ATOM 862 CA VAL A 57 -1.325 16.837 -10.571 1.00 0.00 C ATOM 863 C VAL A 57 -0.893 18.040 -11.405 1.00 0.00 C ATOM 864 O VAL A 57 -1.112 19.189 -11.021 1.00 0.00 O ATOM 865 CB VAL A 57 -0.215 16.512 -9.540 1.00 0.00 C ATOM 866 CG1 VAL A 57 -0.285 17.476 -8.348 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.308 15.096 -8.961 1.00 0.00 C ATOM 0 H VAL A 57 -0.807 15.251 -11.838 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.239 17.071 -10.025 1.00 0.00 H new ATOM 0 HB VAL A 57 0.718 16.610 -10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.503 17.231 -7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.151 18.499 -8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.256 17.383 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.501 14.941 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.266 14.972 -8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.225 14.367 -9.767 1.00 0.00 H new ATOM 877 N HIS A 58 -0.281 17.764 -12.559 1.00 0.00 N ATOM 878 CA HIS A 58 0.453 18.764 -13.327 1.00 0.00 C ATOM 879 C HIS A 58 0.379 18.481 -14.820 1.00 0.00 C ATOM 880 O HIS A 58 0.284 17.325 -15.222 1.00 0.00 O ATOM 881 CB HIS A 58 1.907 18.695 -12.888 1.00 0.00 C ATOM 882 CG HIS A 58 2.710 19.921 -13.186 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.454 21.199 -12.751 1.00 0.00 N ATOM 884 CD2 HIS A 58 3.854 19.946 -13.931 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.449 21.981 -13.200 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.321 21.258 -13.918 1.00 0.00 N ATOM 0 H HIS A 58 -0.282 16.837 -12.985 1.00 0.00 H new ATOM 0 HA HIS A 58 0.019 19.748 -13.149 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.940 18.508 -11.815 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.379 17.841 -13.374 1.00 0.00 H new ATOM 0 HD1 HIS A 58 1.656 21.498 -12.191 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.310 19.107 -14.435 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.535 23.041 -13.010 1.00 0.00 H new ATOM 894 N SER A 59 0.428 19.528 -15.634 1.00 0.00 N ATOM 895 CA SER A 59 0.142 19.451 -17.057 1.00 0.00 C ATOM 896 C SER A 59 0.579 20.712 -17.806 1.00 0.00 C ATOM 897 O SER A 59 -0.049 21.773 -17.660 1.00 0.00 O ATOM 898 CB SER A 59 -1.372 19.290 -17.175 1.00 0.00 C ATOM 899 OG SER A 59 -1.800 19.241 -18.514 1.00 0.00 O ATOM 0 H SER A 59 0.671 20.467 -15.318 1.00 0.00 H new ATOM 0 HA SER A 59 0.690 18.620 -17.501 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.679 18.378 -16.664 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.864 20.120 -16.669 1.00 0.00 H new ATOM 0 HG SER A 59 -1.769 18.315 -18.834 1.00 0.00 H new ATOM 905 N LYS A 60 1.602 20.635 -18.664 1.00 0.00 N ATOM 906 CA LYS A 60 1.782 21.677 -19.684 1.00 0.00 C ATOM 907 C LYS A 60 0.682 21.679 -20.750 1.00 0.00 C ATOM 908 O LYS A 60 0.420 22.754 -21.286 1.00 0.00 O ATOM 909 CB LYS A 60 3.171 21.615 -20.332 1.00 0.00 C ATOM 910 CG LYS A 60 4.284 22.390 -19.607 1.00 0.00 C ATOM 911 CD LYS A 60 4.307 23.931 -19.763 1.00 0.00 C ATOM 912 CE LYS A 60 3.057 24.630 -19.211 1.00 0.00 C ATOM 913 NZ LYS A 60 3.184 26.108 -19.058 1.00 0.00 N ATOM 0 H LYS A 60 2.298 19.889 -18.676 1.00 0.00 H new ATOM 0 HA LYS A 60 1.700 22.623 -19.148 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.471 20.570 -20.405 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.093 21.996 -21.350 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.214 22.162 -18.544 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.242 22.003 -19.954 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.186 24.325 -19.254 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.413 24.178 -20.819 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.217 24.418 -19.873 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.815 24.198 -18.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.424 26.460 -18.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.106 26.335 -18.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.111 26.561 -19.991 1.00 0.00 H new ATOM 927 N LYS A 61 -0.024 20.566 -20.990 1.00 0.00 N ATOM 928 CA LYS A 61 -1.201 20.516 -21.877 1.00 0.00 C ATOM 929 C LYS A 61 -2.347 21.406 -21.381 1.00 0.00 C ATOM 930 O LYS A 61 -3.052 21.984 -22.214 1.00 0.00 O ATOM 931 CB LYS A 61 -1.634 19.051 -22.093 1.00 0.00 C ATOM 932 CG LYS A 61 -2.581 18.868 -23.294 1.00 0.00 C ATOM 933 CD LYS A 61 -4.074 19.033 -22.946 1.00 0.00 C ATOM 934 CE LYS A 61 -4.905 19.658 -24.078 1.00 0.00 C ATOM 935 NZ LYS A 61 -4.485 21.053 -24.375 1.00 0.00 N ATOM 0 H LYS A 61 0.206 19.665 -20.571 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.918 20.929 -22.845 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.747 18.435 -22.241 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.127 18.688 -21.191 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.316 19.591 -24.066 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.425 17.876 -23.719 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.490 18.057 -22.697 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.164 19.654 -22.055 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.806 19.051 -24.978 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.959 19.648 -23.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.292 21.695 -24.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.714 21.327 -23.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.155 21.114 -25.359 1.00 0.00 H new ATOM 949 N ARG A 62 -2.553 21.534 -20.063 1.00 0.00 N ATOM 950 CA ARG A 62 -3.478 22.510 -19.475 1.00 0.00 C ATOM 951 C ARG A 62 -2.847 23.893 -19.346 1.00 0.00 C ATOM 952 O ARG A 62 -3.538 24.893 -19.476 1.00 0.00 O ATOM 953 CB ARG A 62 -4.057 21.968 -18.156 1.00 0.00 C ATOM 954 CG ARG A 62 -3.384 22.545 -16.906 1.00 0.00 C ATOM 955 CD ARG A 62 -3.905 21.927 -15.619 1.00 0.00 C ATOM 956 NE ARG A 62 -3.123 22.451 -14.493 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.490 22.419 -13.219 1.00 0.00 C ATOM 958 NH1 ARG A 62 -4.662 21.982 -12.857 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.731 22.843 -12.260 1.00 0.00 N ATOM 0 H ARG A 62 -2.077 20.957 -19.369 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.318 22.649 -20.156 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.124 22.190 -18.119 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.957 20.883 -18.144 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.308 22.384 -16.971 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.544 23.623 -16.877 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.961 22.163 -15.487 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.824 20.841 -15.662 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.221 22.876 -14.709 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.323 21.653 -13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.919 21.968 -11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.808 23.222 -12.470 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.056 22.798 -11.294 1.00 0.00 H new ATOM 973 N GLY A 63 -1.538 23.935 -19.104 1.00 0.00 N ATOM 974 CA GLY A 63 -0.715 25.124 -19.201 1.00 0.00 C ATOM 975 C GLY A 63 -0.088 25.569 -17.899 1.00 0.00 C ATOM 976 O GLY A 63 0.589 26.593 -17.889 1.00 0.00 O ATOM 0 H GLY A 63 -1.009 23.109 -18.825 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.078 24.942 -19.926 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.324 25.939 -19.592 1.00 0.00 H new ATOM 980 N ASP A 64 -0.194 24.721 -16.875 1.00 0.00 N ATOM 981 CA ASP A 64 0.216 24.920 -15.483 1.00 0.00 C ATOM 982 C ASP A 64 1.521 25.709 -15.339 1.00 0.00 C ATOM 983 O ASP A 64 1.605 26.693 -14.607 1.00 0.00 O ATOM 984 CB ASP A 64 0.355 23.513 -14.890 1.00 0.00 C ATOM 985 CG ASP A 64 0.492 23.463 -13.372 1.00 0.00 C ATOM 986 OD1 ASP A 64 1.206 24.287 -12.766 1.00 0.00 O ATOM 987 OD2 ASP A 64 -0.122 22.535 -12.807 1.00 0.00 O ATOM 0 H ASP A 64 -0.605 23.797 -17.010 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.525 25.522 -14.958 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.516 22.925 -15.181 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.227 23.032 -15.334 1.00 0.00 H new ATOM 992 N GLY A 65 2.538 25.239 -16.056 1.00 0.00 N ATOM 993 CA GLY A 65 3.934 25.531 -15.786 1.00 0.00 C ATOM 994 C GLY A 65 4.772 24.266 -15.783 1.00 0.00 C ATOM 995 O GLY A 65 4.416 23.294 -16.440 1.00 0.00 O ATOM 0 H GLY A 65 2.405 24.628 -16.862 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.316 26.221 -16.539 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.023 26.031 -14.822 1.00 0.00 H new ATOM 999 N TYR A 66 5.893 24.344 -15.097 1.00 0.00 N ATOM 1000 CA TYR A 66 6.762 23.286 -14.612 1.00 0.00 C ATOM 1001 C TYR A 66 6.787 23.343 -13.067 1.00 0.00 C ATOM 1002 O TYR A 66 5.862 23.862 -12.440 1.00 0.00 O ATOM 1003 CB TYR A 66 8.127 23.519 -15.267 1.00 0.00 C ATOM 1004 CG TYR A 66 8.143 23.368 -16.781 1.00 0.00 C ATOM 1005 CD1 TYR A 66 7.819 22.131 -17.377 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.467 24.472 -17.595 1.00 0.00 C ATOM 1007 CE1 TYR A 66 7.810 22.005 -18.779 1.00 0.00 C ATOM 1008 CE2 TYR A 66 8.462 24.348 -18.999 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.113 23.117 -19.591 1.00 0.00 C ATOM 1010 OH TYR A 66 8.152 22.974 -20.937 1.00 0.00 O ATOM 0 H TYR A 66 6.262 25.258 -14.834 1.00 0.00 H new ATOM 0 HA TYR A 66 6.424 22.283 -14.872 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.470 24.522 -15.012 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.844 22.819 -14.839 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.578 21.280 -16.757 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.721 25.418 -17.140 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.571 21.055 -19.233 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.724 25.193 -19.619 1.00 0.00 H new ATOM 0 HH TYR A 66 8.374 23.834 -21.351 1.00 0.00 H new ATOM 1020 N VAL A 67 7.860 22.870 -12.428 1.00 0.00 N ATOM 1021 CA VAL A 67 8.272 23.502 -11.162 1.00 0.00 C ATOM 1022 C VAL A 67 9.026 24.808 -11.415 1.00 0.00 C ATOM 1023 O VAL A 67 10.248 24.883 -11.441 1.00 0.00 O ATOM 1024 CB VAL A 67 9.007 22.607 -10.175 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.046 21.560 -9.601 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.230 21.867 -10.734 1.00 0.00 C ATOM 0 H VAL A 67 8.438 22.090 -12.742 1.00 0.00 H new ATOM 0 HA VAL A 67 7.332 23.722 -10.655 1.00 0.00 H new ATOM 0 HB VAL A 67 9.380 23.294 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.580 20.924 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.226 22.062 -9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.648 20.949 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.678 21.259 -9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.921 21.224 -11.558 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.961 22.592 -11.093 1.00 0.00 H new ATOM 1036 N ASP A 68 8.243 25.855 -11.622 1.00 0.00 N ATOM 1037 CA ASP A 68 8.678 27.194 -12.014 1.00 0.00 C ATOM 1038 C ASP A 68 9.245 28.031 -10.857 1.00 0.00 C ATOM 1039 O ASP A 68 9.781 29.119 -11.044 1.00 0.00 O ATOM 1040 CB ASP A 68 7.467 27.938 -12.548 1.00 0.00 C ATOM 1041 CG ASP A 68 6.613 27.154 -13.543 1.00 0.00 C ATOM 1042 OD1 ASP A 68 7.014 26.953 -14.710 1.00 0.00 O ATOM 1043 OD2 ASP A 68 5.539 26.680 -13.111 1.00 0.00 O ATOM 0 H ASP A 68 7.230 25.794 -11.516 1.00 0.00 H new ATOM 0 HA ASP A 68 9.474 27.064 -12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.840 28.231 -11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.806 28.856 -13.028 1.00 0.00 H new ATOM 1048 N THR A 69 9.009 27.590 -9.626 1.00 0.00 N ATOM 1049 CA THR A 69 9.234 28.351 -8.391 1.00 0.00 C ATOM 1050 C THR A 69 9.438 27.410 -7.209 1.00 0.00 C ATOM 1051 O THR A 69 9.103 26.228 -7.257 1.00 0.00 O ATOM 1052 CB THR A 69 8.043 29.286 -8.081 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.250 29.586 -9.204 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.476 30.637 -7.522 1.00 0.00 C ATOM 0 H THR A 69 8.641 26.655 -9.449 1.00 0.00 H new ATOM 0 HA THR A 69 10.130 28.953 -8.544 1.00 0.00 H new ATOM 0 HB THR A 69 7.474 28.713 -7.349 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.516 30.178 -8.937 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.595 31.248 -7.325 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.029 30.487 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.114 31.143 -8.247 1.00 0.00 H new ATOM 1062 N GLU A 70 9.873 27.967 -6.084 1.00 0.00 N ATOM 1063 CA GLU A 70 9.874 27.266 -4.792 1.00 0.00 C ATOM 1064 C GLU A 70 8.472 26.808 -4.426 1.00 0.00 C ATOM 1065 O GLU A 70 8.204 25.624 -4.265 1.00 0.00 O ATOM 1066 CB GLU A 70 10.448 28.186 -3.697 1.00 0.00 C ATOM 1067 CG GLU A 70 11.564 27.529 -2.876 1.00 0.00 C ATOM 1068 CD GLU A 70 11.076 26.578 -1.770 1.00 0.00 C ATOM 1069 OE1 GLU A 70 9.871 26.225 -1.708 1.00 0.00 O ATOM 1070 OE2 GLU A 70 11.916 26.209 -0.920 1.00 0.00 O ATOM 0 H GLU A 70 10.237 28.919 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 70 10.505 26.381 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.834 29.094 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.643 28.488 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.215 26.974 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.170 28.312 -2.421 1.00 0.00 H new ATOM 1077 N SER A 71 7.537 27.757 -4.444 1.00 0.00 N ATOM 1078 CA SER A 71 6.137 27.485 -4.089 1.00 0.00 C ATOM 1079 C SER A 71 5.534 26.377 -4.948 1.00 0.00 C ATOM 1080 O SER A 71 4.816 25.509 -4.460 1.00 0.00 O ATOM 1081 CB SER A 71 5.295 28.756 -4.229 1.00 0.00 C ATOM 1082 OG SER A 71 4.081 28.643 -3.507 1.00 0.00 O ATOM 0 H SER A 71 7.721 28.727 -4.701 1.00 0.00 H new ATOM 0 HA SER A 71 6.128 27.150 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.861 29.613 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.080 28.940 -5.282 1.00 0.00 H new ATOM 0 HG SER A 71 3.561 29.467 -3.610 1.00 0.00 H new ATOM 1088 N LYS A 72 5.895 26.376 -6.233 1.00 0.00 N ATOM 1089 CA LYS A 72 5.541 25.368 -7.228 1.00 0.00 C ATOM 1090 C LYS A 72 6.058 23.989 -6.844 1.00 0.00 C ATOM 1091 O LYS A 72 5.273 23.056 -6.682 1.00 0.00 O ATOM 1092 CB LYS A 72 6.115 25.840 -8.568 1.00 0.00 C ATOM 1093 CG LYS A 72 5.162 26.763 -9.317 1.00 0.00 C ATOM 1094 CD LYS A 72 4.147 25.955 -10.119 1.00 0.00 C ATOM 1095 CE LYS A 72 3.409 26.930 -11.023 1.00 0.00 C ATOM 1096 NZ LYS A 72 3.000 26.250 -12.267 1.00 0.00 N ATOM 0 H LYS A 72 6.473 27.119 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 72 4.458 25.263 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.057 26.360 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.340 24.973 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.642 27.409 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.727 27.412 -9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.647 25.187 -10.709 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.450 25.444 -9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.533 27.324 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.050 27.780 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.452 26.907 -12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.845 25.939 -12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.414 25.423 -12.034 1.00 0.00 H new ATOM 1110 N PHE A 73 7.362 23.886 -6.611 1.00 0.00 N ATOM 1111 CA PHE A 73 7.985 22.653 -6.123 1.00 0.00 C ATOM 1112 C PHE A 73 7.336 22.181 -4.814 1.00 0.00 C ATOM 1113 O PHE A 73 6.827 21.065 -4.729 1.00 0.00 O ATOM 1114 CB PHE A 73 9.502 22.854 -5.988 1.00 0.00 C ATOM 1115 CG PHE A 73 10.218 21.678 -5.351 1.00 0.00 C ATOM 1116 CD1 PHE A 73 10.123 20.396 -5.927 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.939 21.853 -4.153 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.724 19.292 -5.297 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.547 20.750 -3.530 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.425 19.469 -4.093 1.00 0.00 C ATOM 0 H PHE A 73 8.020 24.652 -6.754 1.00 0.00 H new ATOM 0 HA PHE A 73 7.818 21.858 -6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.925 23.034 -6.976 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.690 23.748 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.587 20.261 -6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.024 22.836 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.647 18.309 -5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.108 20.887 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.871 18.618 -3.599 1.00 0.00 H new ATOM 1130 N ARG A 74 7.244 23.062 -3.817 1.00 0.00 N ATOM 1131 CA ARG A 74 6.700 22.792 -2.482 1.00 0.00 C ATOM 1132 C ARG A 74 5.228 22.396 -2.470 1.00 0.00 C ATOM 1133 O ARG A 74 4.824 21.646 -1.588 1.00 0.00 O ATOM 1134 CB ARG A 74 6.952 24.013 -1.581 1.00 0.00 C ATOM 1135 CG ARG A 74 7.180 23.605 -0.121 1.00 0.00 C ATOM 1136 CD ARG A 74 7.363 24.848 0.761 1.00 0.00 C ATOM 1137 NE ARG A 74 8.279 24.580 1.886 1.00 0.00 N ATOM 1138 CZ ARG A 74 9.597 24.682 1.829 1.00 0.00 C ATOM 1139 NH1 ARG A 74 10.211 25.030 0.744 1.00 0.00 N ATOM 1140 NH2 ARG A 74 10.330 24.450 2.880 1.00 0.00 N ATOM 0 H ARG A 74 7.560 24.026 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 74 7.225 21.918 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.821 24.561 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.100 24.691 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.333 23.020 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.061 22.967 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.754 25.669 0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.395 25.168 1.146 1.00 0.00 H new ATOM 0 HE ARG A 74 7.866 24.295 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.677 25.235 -0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.229 25.099 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.889 24.186 3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.345 24.532 2.822 1.00 0.00 H new ATOM 1154 N LYS A 75 4.437 22.821 -3.461 1.00 0.00 N ATOM 1155 CA LYS A 75 3.081 22.328 -3.721 1.00 0.00 C ATOM 1156 C LYS A 75 3.106 20.836 -4.044 1.00 0.00 C ATOM 1157 O LYS A 75 2.307 20.089 -3.482 1.00 0.00 O ATOM 1158 CB LYS A 75 2.415 23.121 -4.871 1.00 0.00 C ATOM 1159 CG LYS A 75 1.221 23.984 -4.433 1.00 0.00 C ATOM 1160 CD LYS A 75 1.598 25.117 -3.464 1.00 0.00 C ATOM 1161 CE LYS A 75 0.490 26.169 -3.319 1.00 0.00 C ATOM 1162 NZ LYS A 75 -0.782 25.590 -2.819 1.00 0.00 N ATOM 0 H LYS A 75 4.732 23.538 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 75 2.488 22.477 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.163 23.764 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.081 22.419 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.752 24.416 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.477 23.345 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.820 24.693 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.509 25.601 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.823 26.951 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.315 26.643 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.492 26.344 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.125 24.874 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.621 25.146 -1.893 1.00 0.00 H new ATOM 1176 N LEU A 76 4.046 20.410 -4.886 1.00 0.00 N ATOM 1177 CA LEU A 76 4.193 19.010 -5.272 1.00 0.00 C ATOM 1178 C LEU A 76 4.738 18.185 -4.111 1.00 0.00 C ATOM 1179 O LEU A 76 4.145 17.170 -3.754 1.00 0.00 O ATOM 1180 CB LEU A 76 5.069 18.935 -6.548 1.00 0.00 C ATOM 1181 CG LEU A 76 4.684 17.890 -7.614 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.558 16.470 -7.071 1.00 0.00 C ATOM 1183 CD2 LEU A 76 3.382 18.253 -8.330 1.00 0.00 C ATOM 0 H LEU A 76 4.729 21.030 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 76 3.223 18.574 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.060 19.917 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.096 18.739 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 76 5.516 17.909 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.285 15.794 -7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.511 16.158 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.788 16.442 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.150 17.489 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.571 18.312 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.496 19.217 -8.825 1.00 0.00 H new ATOM 1195 N VAL A 77 5.769 18.690 -3.433 1.00 0.00 N ATOM 1196 CA VAL A 77 6.299 18.056 -2.214 1.00 0.00 C ATOM 1197 C VAL A 77 5.207 17.890 -1.177 1.00 0.00 C ATOM 1198 O VAL A 77 5.031 16.805 -0.632 1.00 0.00 O ATOM 1199 CB VAL A 77 7.483 18.829 -1.607 1.00 0.00 C ATOM 1200 CG1 VAL A 77 7.972 18.237 -0.277 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.668 18.838 -2.566 1.00 0.00 C ATOM 0 H VAL A 77 6.260 19.542 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 77 6.670 17.076 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 77 7.110 19.837 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.808 18.827 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.160 18.255 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.296 17.208 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.495 19.390 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.982 17.814 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.376 19.317 -3.500 1.00 0.00 H new ATOM 1211 N THR A 78 4.420 18.936 -0.931 1.00 0.00 N ATOM 1212 CA THR A 78 3.340 18.877 0.049 1.00 0.00 C ATOM 1213 C THR A 78 2.332 17.813 -0.315 1.00 0.00 C ATOM 1214 O THR A 78 1.939 17.033 0.553 1.00 0.00 O ATOM 1215 CB THR A 78 2.648 20.235 0.257 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.575 21.184 0.722 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.537 20.201 1.304 1.00 0.00 C ATOM 0 H THR A 78 4.512 19.837 -1.400 1.00 0.00 H new ATOM 0 HA THR A 78 3.802 18.610 1.000 1.00 0.00 H new ATOM 0 HB THR A 78 2.227 20.489 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.294 21.288 0.065 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.095 21.193 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.770 19.489 0.998 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.952 19.897 2.265 1.00 0.00 H new ATOM 1225 N ALA A 79 1.960 17.728 -1.592 1.00 0.00 N ATOM 1226 CA ALA A 79 0.938 16.777 -2.002 1.00 0.00 C ATOM 1227 C ALA A 79 1.422 15.334 -1.933 1.00 0.00 C ATOM 1228 O ALA A 79 0.692 14.439 -1.512 1.00 0.00 O ATOM 1229 CB ALA A 79 0.424 17.160 -3.393 1.00 0.00 C ATOM 0 H ALA A 79 2.345 18.297 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 79 0.108 16.830 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.342 16.451 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.002 18.163 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.250 17.139 -4.104 1.00 0.00 H new ATOM 1235 N ILE A 80 2.698 15.127 -2.226 1.00 0.00 N ATOM 1236 CA ILE A 80 3.313 13.800 -2.206 1.00 0.00 C ATOM 1237 C ILE A 80 3.579 13.370 -0.762 1.00 0.00 C ATOM 1238 O ILE A 80 3.387 12.208 -0.420 1.00 0.00 O ATOM 1239 CB ILE A 80 4.577 13.802 -3.085 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.234 14.073 -4.570 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.358 12.488 -2.966 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.544 12.942 -5.343 1.00 0.00 C ATOM 0 H ILE A 80 3.341 15.875 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 80 2.635 13.059 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 80 5.208 14.611 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.593 14.954 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.158 14.325 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.242 12.531 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.663 12.339 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.725 11.659 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.360 13.262 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.185 12.060 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.596 12.699 -4.863 1.00 0.00 H new ATOM 1254 N LYS A 81 3.909 14.311 0.130 1.00 0.00 N ATOM 1255 CA LYS A 81 4.151 14.034 1.559 1.00 0.00 C ATOM 1256 C LYS A 81 2.837 13.657 2.227 1.00 0.00 C ATOM 1257 O LYS A 81 2.786 12.766 3.071 1.00 0.00 O ATOM 1258 CB LYS A 81 4.726 15.306 2.218 1.00 0.00 C ATOM 1259 CG LYS A 81 5.462 15.147 3.563 1.00 0.00 C ATOM 1260 CD LYS A 81 4.663 14.656 4.780 1.00 0.00 C ATOM 1261 CE LYS A 81 3.367 15.447 5.001 1.00 0.00 C ATOM 1262 NZ LYS A 81 2.602 14.924 6.160 1.00 0.00 N ATOM 0 H LYS A 81 4.018 15.295 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 81 4.857 13.211 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.416 15.767 1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.905 16.007 2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.290 14.455 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.897 16.113 3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.421 13.601 4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.285 14.731 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.604 16.498 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.750 15.396 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.732 15.481 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.355 13.928 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.182 14.996 7.020 1.00 0.00 H new ATOM 1276 N ALA A 82 1.782 14.390 1.883 1.00 0.00 N ATOM 1277 CA ALA A 82 0.415 14.152 2.332 1.00 0.00 C ATOM 1278 C ALA A 82 -0.078 12.781 1.862 1.00 0.00 C ATOM 1279 O ALA A 82 -0.453 11.962 2.696 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.488 15.295 1.850 1.00 0.00 C ATOM 0 H ALA A 82 1.859 15.195 1.261 1.00 0.00 H new ATOM 0 HA ALA A 82 0.384 14.137 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.510 15.118 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.130 16.239 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.466 15.341 0.761 1.00 0.00 H new ATOM 1286 N ALA A 83 0.012 12.518 0.554 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.412 11.261 -0.052 1.00 0.00 C ATOM 1288 C ALA A 83 0.348 10.057 0.506 1.00 0.00 C ATOM 1289 O ALA A 83 -0.248 9.020 0.795 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.279 11.366 -1.574 1.00 0.00 C ATOM 0 H ALA A 83 0.388 13.185 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.458 11.090 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.595 10.429 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.908 12.178 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.760 11.566 -1.836 1.00 0.00 H new ATOM 1296 N LEU A 84 1.649 10.230 0.750 1.00 0.00 N ATOM 1297 CA LEU A 84 2.470 9.255 1.473 1.00 0.00 C ATOM 1298 C LEU A 84 1.885 8.985 2.861 1.00 0.00 C ATOM 1299 O LEU A 84 1.514 7.863 3.194 1.00 0.00 O ATOM 1300 CB LEU A 84 3.910 9.784 1.540 1.00 0.00 C ATOM 1301 CG LEU A 84 4.873 9.029 2.468 1.00 0.00 C ATOM 1302 CD1 LEU A 84 4.790 7.503 2.380 1.00 0.00 C ATOM 1303 CD2 LEU A 84 6.301 9.455 2.154 1.00 0.00 C ATOM 0 H LEU A 84 2.166 11.056 0.450 1.00 0.00 H new ATOM 0 HA LEU A 84 2.475 8.299 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.326 9.771 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.877 10.826 1.857 1.00 0.00 H new ATOM 0 HG LEU A 84 4.573 9.293 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.507 7.059 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.783 7.178 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.021 7.184 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.992 8.923 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.531 9.219 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.404 10.528 2.313 1.00 0.00 H new ATOM 1315 N ALA A 85 1.777 10.036 3.663 1.00 0.00 N ATOM 1316 CA ALA A 85 1.231 9.959 5.025 1.00 0.00 C ATOM 1317 C ALA A 85 -0.246 9.507 5.135 1.00 0.00 C ATOM 1318 O ALA A 85 -0.714 9.238 6.239 1.00 0.00 O ATOM 1319 CB ALA A 85 1.478 11.299 5.727 1.00 0.00 C ATOM 0 H ALA A 85 2.066 10.976 3.391 1.00 0.00 H new ATOM 0 HA ALA A 85 1.765 9.154 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.078 11.258 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.549 11.497 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.983 12.097 5.173 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.954 9.371 4.013 1.00 0.00 N ATOM 1326 CA GLN A 86 -2.248 8.689 3.891 1.00 0.00 C ATOM 1327 C GLN A 86 -2.059 7.206 3.538 1.00 0.00 C ATOM 1328 O GLN A 86 -2.591 6.319 4.200 1.00 0.00 O ATOM 1329 CB GLN A 86 -3.129 9.430 2.863 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.595 10.803 3.380 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.264 11.649 2.297 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -3.631 12.215 1.422 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.570 11.801 2.320 1.00 0.00 N ATOM 0 H GLN A 86 -0.629 9.749 3.123 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.761 8.713 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.570 9.563 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.999 8.819 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.294 10.658 4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.738 11.345 3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.125 11.339 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.028 12.381 1.617 1.00 0.00 H new ATOM 1342 N CYS A 87 -1.252 6.937 2.515 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.899 5.601 2.023 1.00 0.00 C ATOM 1344 C CYS A 87 -0.089 4.749 3.012 1.00 0.00 C ATOM 1345 O CYS A 87 -0.064 3.531 2.861 1.00 0.00 O ATOM 1346 CB CYS A 87 -0.115 5.747 0.713 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.478 4.361 -0.407 1.00 0.00 S ATOM 0 H CYS A 87 -0.803 7.679 1.978 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.839 5.069 1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.375 6.689 0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.954 5.781 0.924 1.00 0.00 H new ATOM 0 HG CYS A 87 0.195 4.507 -1.510 1.00 0.00 H new ATOM 1353 N GLN A 88 0.557 5.352 4.016 1.00 0.00 N ATOM 1354 CA GLN A 88 1.281 4.613 5.069 1.00 0.00 C ATOM 1355 C GLN A 88 0.375 3.641 5.852 1.00 0.00 C ATOM 1356 O GLN A 88 0.841 2.595 6.295 1.00 0.00 O ATOM 1357 CB GLN A 88 2.017 5.598 6.005 1.00 0.00 C ATOM 1358 CG GLN A 88 2.916 4.870 7.028 1.00 0.00 C ATOM 1359 CD GLN A 88 3.803 5.792 7.866 1.00 0.00 C ATOM 1360 OE1 GLN A 88 3.733 5.853 9.081 1.00 0.00 O ATOM 1361 NE2 GLN A 88 4.731 6.518 7.276 1.00 0.00 N ATOM 0 H GLN A 88 0.596 6.365 4.126 1.00 0.00 H new ATOM 0 HA GLN A 88 2.024 3.986 4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.625 6.278 5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.286 6.207 6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.283 4.288 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.551 4.162 6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.826 6.498 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.355 7.100 7.835 1.00 0.00 H new