USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -147:sc= -0.869 (180deg=-2.23!) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0239) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 27 TYR OH : rot 46:sc= -2.66! USER MOD Single : A 28 SER OG : rot 29:sc= 0.452 USER MOD Single : A 29 THR OG1 : rot 153:sc= -1.08 USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.427) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.402! USER MOD Single : A 33 THR OG1 : rot -12:sc= 0.17! USER MOD Single : A 34 SER OG : rot 6:sc= 0.941 USER MOD Single : A 36 THR OG1 : rot -136:sc= -0.511! USER MOD Single : A 37 SER OG : rot 180:sc= -1.11 USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -0.385 (180deg=-1.63!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 0.187 (180deg=0.12) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.39) USER MOD Single : A 58 THR OG1 : rot 48:sc= 0.135 USER MOD Single : A 59 THR OG1 : rot -176:sc= 0.308 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= -0.634 (180deg=-4.09!) USER MOD Single : A 66 CYS SG : rot 60:sc= -10.2! USER MOD Single : A 68 ASN : amide:sc= -0.543 K(o=-0.54,f=-13!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 70:sc= -2.88! USER MOD Single : A 75 TYR OH : rot 97:sc= 1.14 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 4.881 -4.332 16.320 1.00 0.00 N ATOM 2 CA GLU A 7 6.027 -4.225 15.433 1.00 0.00 C ATOM 3 C GLU A 7 6.319 -5.576 14.776 1.00 0.00 C ATOM 4 O GLU A 7 6.739 -5.630 13.622 1.00 0.00 O ATOM 5 CB GLU A 7 7.254 -3.705 16.185 1.00 0.00 C ATOM 6 CG GLU A 7 7.973 -2.621 15.379 1.00 0.00 C ATOM 7 CD GLU A 7 8.249 -1.388 16.241 1.00 0.00 C ATOM 8 OE1 GLU A 7 7.319 -0.990 16.976 1.00 0.00 O ATOM 9 OE2 GLU A 7 9.384 -0.872 16.147 1.00 0.00 O ATOM 0 HA GLU A 7 5.789 -3.506 14.649 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.949 -3.303 17.151 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.939 -4.529 16.385 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.912 -3.015 14.990 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.365 -2.339 14.519 1.00 0.00 H new ATOM 16 N LYS A 8 6.084 -6.632 15.540 1.00 0.00 N ATOM 17 CA LYS A 8 6.315 -7.979 15.047 1.00 0.00 C ATOM 18 C LYS A 8 5.396 -8.246 13.853 1.00 0.00 C ATOM 19 O LYS A 8 5.561 -9.239 13.147 1.00 0.00 O ATOM 20 CB LYS A 8 6.166 -8.998 16.178 1.00 0.00 C ATOM 21 CG LYS A 8 7.485 -9.176 16.934 1.00 0.00 C ATOM 22 CD LYS A 8 7.233 -9.574 18.389 1.00 0.00 C ATOM 23 CE LYS A 8 7.553 -8.416 19.337 1.00 0.00 C ATOM 24 NZ LYS A 8 7.605 -8.892 20.738 1.00 0.00 N ATOM 0 H LYS A 8 5.736 -6.582 16.497 1.00 0.00 H new ATOM 0 HA LYS A 8 7.340 -8.082 14.690 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.389 -8.670 16.868 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.845 -9.956 15.769 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.089 -9.939 16.444 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.056 -8.248 16.901 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.192 -9.873 18.513 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.846 -10.438 18.645 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.508 -7.968 19.063 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.796 -7.638 19.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.823 -8.094 21.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.685 -9.299 21.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.344 -9.618 20.831 1.00 0.00 H new ATOM 38 N GLU A 9 4.446 -7.341 13.666 1.00 0.00 N ATOM 39 CA GLU A 9 3.499 -7.467 12.570 1.00 0.00 C ATOM 40 C GLU A 9 4.237 -7.478 11.230 1.00 0.00 C ATOM 41 O GLU A 9 3.737 -8.021 10.246 1.00 0.00 O ATOM 42 CB GLU A 9 2.459 -6.346 12.614 1.00 0.00 C ATOM 43 CG GLU A 9 3.130 -4.972 12.564 1.00 0.00 C ATOM 44 CD GLU A 9 2.331 -3.941 13.364 1.00 0.00 C ATOM 45 OE1 GLU A 9 1.092 -4.098 13.413 1.00 0.00 O ATOM 46 OE2 GLU A 9 2.977 -3.020 13.908 1.00 0.00 O ATOM 0 H GLU A 9 4.312 -6.518 14.254 1.00 0.00 H new ATOM 0 HA GLU A 9 2.970 -8.414 12.679 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.772 -6.450 11.774 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.865 -6.432 13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.142 -5.043 12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.219 -4.644 11.528 1.00 0.00 H new ATOM 53 N GLU A 10 5.415 -6.872 11.234 1.00 0.00 N ATOM 54 CA GLU A 10 6.227 -6.805 10.031 1.00 0.00 C ATOM 55 C GLU A 10 6.594 -8.214 9.560 1.00 0.00 C ATOM 56 O GLU A 10 6.615 -8.485 8.360 1.00 0.00 O ATOM 57 CB GLU A 10 7.481 -5.960 10.262 1.00 0.00 C ATOM 58 CG GLU A 10 8.595 -6.356 9.291 1.00 0.00 C ATOM 59 CD GLU A 10 9.698 -5.296 9.260 1.00 0.00 C ATOM 60 OE1 GLU A 10 9.384 -4.140 9.617 1.00 0.00 O ATOM 61 OE2 GLU A 10 10.831 -5.666 8.881 1.00 0.00 O ATOM 0 H GLU A 10 5.827 -6.423 12.052 1.00 0.00 H new ATOM 0 HA GLU A 10 5.643 -6.322 9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.241 -4.904 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.826 -6.087 11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.017 -7.316 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.182 -6.485 8.291 1.00 0.00 H new ATOM 68 N LYS A 11 6.873 -9.073 10.528 1.00 0.00 N ATOM 69 CA LYS A 11 7.238 -10.447 10.228 1.00 0.00 C ATOM 70 C LYS A 11 6.011 -11.192 9.699 1.00 0.00 C ATOM 71 O LYS A 11 6.140 -12.122 8.904 1.00 0.00 O ATOM 72 CB LYS A 11 7.882 -11.110 11.447 1.00 0.00 C ATOM 73 CG LYS A 11 9.397 -10.897 11.451 1.00 0.00 C ATOM 74 CD LYS A 11 9.771 -9.634 12.229 1.00 0.00 C ATOM 75 CE LYS A 11 11.195 -9.185 11.894 1.00 0.00 C ATOM 76 NZ LYS A 11 11.958 -8.912 13.132 1.00 0.00 N ATOM 0 H LYS A 11 6.854 -8.844 11.522 1.00 0.00 H new ATOM 0 HA LYS A 11 7.993 -10.477 9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.451 -10.698 12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.661 -12.177 11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.888 -11.762 11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.759 -10.818 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.069 -8.835 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.688 -9.824 13.299 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.699 -9.957 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.164 -8.289 11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.922 -8.609 12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.485 -8.159 13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.004 -9.776 13.709 1.00 0.00 H new ATOM 90 N ASP A 12 4.849 -10.756 10.162 1.00 0.00 N ATOM 91 CA ASP A 12 3.599 -11.370 9.746 1.00 0.00 C ATOM 92 C ASP A 12 3.435 -11.208 8.234 1.00 0.00 C ATOM 93 O ASP A 12 2.842 -12.060 7.575 1.00 0.00 O ATOM 94 CB ASP A 12 2.403 -10.701 10.426 1.00 0.00 C ATOM 95 CG ASP A 12 1.067 -11.422 10.239 1.00 0.00 C ATOM 96 OD1 ASP A 12 0.534 -11.347 9.111 1.00 0.00 O ATOM 97 OD2 ASP A 12 0.607 -12.031 11.229 1.00 0.00 O ATOM 0 H ASP A 12 4.746 -9.985 10.821 1.00 0.00 H new ATOM 0 HA ASP A 12 3.631 -12.423 10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.609 -10.621 11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.307 -9.685 10.042 1.00 0.00 H new ATOM 102 N PHE A 13 3.971 -10.107 7.727 1.00 0.00 N ATOM 103 CA PHE A 13 3.892 -9.822 6.305 1.00 0.00 C ATOM 104 C PHE A 13 4.972 -10.582 5.532 1.00 0.00 C ATOM 105 O PHE A 13 4.680 -11.236 4.532 1.00 0.00 O ATOM 106 CB PHE A 13 4.123 -8.319 6.136 1.00 0.00 C ATOM 107 CG PHE A 13 4.896 -7.946 4.869 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.253 -8.022 4.854 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.225 -7.539 3.759 1.00 0.00 C ATOM 110 CE1 PHE A 13 6.971 -7.677 3.678 1.00 0.00 C ATOM 111 CE2 PHE A 13 4.942 -7.193 2.583 1.00 0.00 C ATOM 112 CZ PHE A 13 6.300 -7.269 2.568 1.00 0.00 C ATOM 0 H PHE A 13 4.462 -9.402 8.276 1.00 0.00 H new ATOM 0 HA PHE A 13 2.921 -10.130 5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.158 -7.813 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.667 -7.946 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.785 -8.345 5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.147 -7.479 3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.049 -7.739 3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.409 -6.870 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.846 -7.005 1.674 1.00 0.00 H new ATOM 122 N ARG A 14 6.196 -10.469 6.024 1.00 0.00 N ATOM 123 CA ARG A 14 7.321 -11.137 5.393 1.00 0.00 C ATOM 124 C ARG A 14 7.082 -12.648 5.342 1.00 0.00 C ATOM 125 O ARG A 14 7.456 -13.307 4.374 1.00 0.00 O ATOM 126 CB ARG A 14 8.622 -10.860 6.148 1.00 0.00 C ATOM 127 CG ARG A 14 9.632 -11.989 5.936 1.00 0.00 C ATOM 128 CD ARG A 14 11.067 -11.470 6.042 1.00 0.00 C ATOM 129 NE ARG A 14 11.693 -11.433 4.701 1.00 0.00 N ATOM 130 CZ ARG A 14 13.025 -11.463 4.487 1.00 0.00 C ATOM 131 NH1 ARG A 14 13.885 -11.530 5.525 1.00 0.00 N ATOM 132 NH2 ARG A 14 13.474 -11.425 3.246 1.00 0.00 N ATOM 0 H ARG A 14 6.434 -9.924 6.853 1.00 0.00 H new ATOM 0 HA ARG A 14 7.412 -10.745 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.050 -9.917 5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.412 -10.750 7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.469 -12.771 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.477 -12.441 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.070 -10.472 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.647 -12.112 6.705 1.00 0.00 H new ATOM 0 HE ARG A 14 11.079 -11.382 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.530 -11.558 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.890 -11.552 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.817 -11.374 2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.478 -11.447 3.066 1.00 0.00 H new ATOM 146 N LYS A 15 6.459 -13.151 6.398 1.00 0.00 N ATOM 147 CA LYS A 15 6.164 -14.572 6.486 1.00 0.00 C ATOM 148 C LYS A 15 5.458 -15.022 5.206 1.00 0.00 C ATOM 149 O LYS A 15 5.924 -15.932 4.522 1.00 0.00 O ATOM 150 CB LYS A 15 5.379 -14.878 7.762 1.00 0.00 C ATOM 151 CG LYS A 15 4.057 -14.108 7.790 1.00 0.00 C ATOM 152 CD LYS A 15 2.903 -14.982 7.295 1.00 0.00 C ATOM 153 CE LYS A 15 2.376 -15.882 8.415 1.00 0.00 C ATOM 154 NZ LYS A 15 3.190 -17.114 8.515 1.00 0.00 N ATOM 0 H LYS A 15 6.150 -12.601 7.199 1.00 0.00 H new ATOM 0 HA LYS A 15 7.086 -15.149 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.182 -15.948 7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.977 -14.613 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.851 -13.768 8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.137 -13.218 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.097 -14.350 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.239 -15.595 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.400 -15.345 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.335 -16.141 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.585 -17.906 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.611 -17.328 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.947 -16.974 9.215 1.00 0.00 H new ATOM 168 N LYS A 16 4.344 -14.364 4.920 1.00 0.00 N ATOM 169 CA LYS A 16 3.568 -14.685 3.734 1.00 0.00 C ATOM 170 C LYS A 16 4.167 -13.962 2.527 1.00 0.00 C ATOM 171 O LYS A 16 4.143 -14.482 1.412 1.00 0.00 O ATOM 172 CB LYS A 16 2.087 -14.378 3.963 1.00 0.00 C ATOM 173 CG LYS A 16 1.202 -15.239 3.060 1.00 0.00 C ATOM 174 CD LYS A 16 1.456 -16.728 3.303 1.00 0.00 C ATOM 175 CE LYS A 16 2.287 -17.334 2.170 1.00 0.00 C ATOM 176 NZ LYS A 16 3.256 -18.316 2.706 1.00 0.00 N ATOM 0 H LYS A 16 3.960 -13.610 5.489 1.00 0.00 H new ATOM 0 HA LYS A 16 3.619 -15.753 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.832 -14.559 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.896 -13.323 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.153 -15.010 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.399 -14.998 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.976 -16.862 4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.505 -17.255 3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.630 -17.819 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.817 -16.544 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.552 -18.962 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.088 -17.815 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.810 -18.862 3.471 1.00 0.00 H new ATOM 190 N PHE A 17 4.690 -12.773 2.789 1.00 0.00 N ATOM 191 CA PHE A 17 5.294 -11.972 1.738 1.00 0.00 C ATOM 192 C PHE A 17 6.773 -12.324 1.562 1.00 0.00 C ATOM 193 O PHE A 17 7.573 -11.477 1.168 1.00 0.00 O ATOM 194 CB PHE A 17 5.177 -10.509 2.167 1.00 0.00 C ATOM 195 CG PHE A 17 3.770 -9.927 2.018 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.739 -10.449 2.735 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.550 -8.888 1.169 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.433 -9.909 2.597 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.244 -8.348 1.031 1.00 0.00 C ATOM 200 CZ PHE A 17 1.213 -8.869 1.748 1.00 0.00 C ATOM 0 H PHE A 17 4.708 -12.345 3.715 1.00 0.00 H new ATOM 0 HA PHE A 17 4.789 -12.159 0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.487 -10.421 3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.871 -9.911 1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.914 -11.274 3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.369 -8.473 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.614 -10.324 3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.070 -7.523 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.220 -8.457 1.644 1.00 0.00 H new ATOM 210 N LYS A 18 7.091 -13.574 1.863 1.00 0.00 N ATOM 211 CA LYS A 18 8.459 -14.048 1.743 1.00 0.00 C ATOM 212 C LYS A 18 9.128 -13.366 0.548 1.00 0.00 C ATOM 213 O LYS A 18 10.249 -13.712 0.178 1.00 0.00 O ATOM 214 CB LYS A 18 8.493 -15.576 1.677 1.00 0.00 C ATOM 215 CG LYS A 18 7.653 -16.093 0.507 1.00 0.00 C ATOM 216 CD LYS A 18 8.519 -16.314 -0.734 1.00 0.00 C ATOM 217 CE LYS A 18 8.012 -15.479 -1.912 1.00 0.00 C ATOM 218 NZ LYS A 18 9.023 -15.440 -2.992 1.00 0.00 N ATOM 0 H LYS A 18 6.424 -14.273 2.190 1.00 0.00 H new ATOM 0 HA LYS A 18 9.035 -13.777 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.523 -15.916 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.117 -15.992 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.168 -17.028 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.861 -15.379 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.553 -16.048 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.513 -17.370 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.082 -15.902 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.789 -14.466 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.663 -14.870 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.901 -15.016 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.216 -16.407 -3.322 1.00 0.00 H new ATOM 232 N TYR A 19 8.412 -12.408 -0.023 1.00 0.00 N ATOM 233 CA TYR A 19 8.922 -11.674 -1.168 1.00 0.00 C ATOM 234 C TYR A 19 10.157 -10.855 -0.789 1.00 0.00 C ATOM 235 O TYR A 19 10.098 -10.015 0.108 1.00 0.00 O ATOM 236 CB TYR A 19 7.802 -10.721 -1.591 1.00 0.00 C ATOM 237 CG TYR A 19 8.297 -9.356 -2.073 1.00 0.00 C ATOM 238 CD1 TYR A 19 9.161 -9.274 -3.147 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.879 -8.206 -1.435 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.626 -7.989 -3.600 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.344 -6.921 -1.889 1.00 0.00 C ATOM 242 CZ TYR A 19 9.195 -6.876 -2.949 1.00 0.00 C ATOM 243 OH TYR A 19 9.634 -5.662 -3.378 1.00 0.00 O ATOM 0 H TYR A 19 7.483 -12.123 0.286 1.00 0.00 H new ATOM 0 HA TYR A 19 9.211 -12.359 -1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.223 -11.188 -2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.126 -10.574 -0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.488 -10.174 -3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.203 -8.270 -0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.302 -7.911 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.024 -6.013 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 19 9.243 -4.957 -2.820 1.00 0.00 H new ATOM 253 N ASP A 20 11.247 -11.129 -1.490 1.00 0.00 N ATOM 254 CA ASP A 20 12.495 -10.427 -1.238 1.00 0.00 C ATOM 255 C ASP A 20 12.671 -9.318 -2.278 1.00 0.00 C ATOM 256 O ASP A 20 13.116 -9.575 -3.395 1.00 0.00 O ATOM 257 CB ASP A 20 13.691 -11.374 -1.351 1.00 0.00 C ATOM 258 CG ASP A 20 14.014 -12.162 -0.080 1.00 0.00 C ATOM 259 OD1 ASP A 20 13.105 -12.260 0.773 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.162 -12.649 0.011 1.00 0.00 O ATOM 0 H ASP A 20 11.293 -11.827 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 20 12.453 -10.016 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.501 -12.080 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.569 -10.794 -1.634 1.00 0.00 H new ATOM 265 N GLY A 21 12.311 -8.109 -1.872 1.00 0.00 N ATOM 266 CA GLY A 21 12.423 -6.960 -2.755 1.00 0.00 C ATOM 267 C GLY A 21 12.713 -5.685 -1.960 1.00 0.00 C ATOM 268 O GLY A 21 13.002 -5.746 -0.766 1.00 0.00 O ATOM 0 H GLY A 21 11.942 -7.900 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.219 -7.130 -3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.498 -6.839 -3.319 1.00 0.00 H new ATOM 272 N GLU A 22 12.627 -4.561 -2.655 1.00 0.00 N ATOM 273 CA GLU A 22 12.877 -3.273 -2.030 1.00 0.00 C ATOM 274 C GLU A 22 11.554 -2.581 -1.693 1.00 0.00 C ATOM 275 O GLU A 22 10.991 -1.872 -2.526 1.00 0.00 O ATOM 276 CB GLU A 22 13.746 -2.388 -2.925 1.00 0.00 C ATOM 277 CG GLU A 22 14.143 -1.099 -2.202 1.00 0.00 C ATOM 278 CD GLU A 22 15.107 -0.268 -3.052 1.00 0.00 C ATOM 279 OE1 GLU A 22 15.546 -0.800 -4.094 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.383 0.879 -2.639 1.00 0.00 O ATOM 0 H GLU A 22 12.388 -4.515 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 22 13.423 -3.442 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.642 -2.933 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.204 -2.145 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.251 -0.513 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.611 -1.342 -1.248 1.00 0.00 H new ATOM 287 N ILE A 23 11.097 -2.811 -0.471 1.00 0.00 N ATOM 288 CA ILE A 23 9.851 -2.219 -0.014 1.00 0.00 C ATOM 289 C ILE A 23 10.039 -0.709 0.148 1.00 0.00 C ATOM 290 O ILE A 23 10.715 -0.260 1.073 1.00 0.00 O ATOM 291 CB ILE A 23 9.360 -2.917 1.255 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.018 -3.611 1.014 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.296 -1.939 2.430 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.746 -4.668 2.087 1.00 0.00 C ATOM 0 H ILE A 23 11.567 -3.399 0.217 1.00 0.00 H new ATOM 0 HA ILE A 23 9.065 -2.366 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 23 10.081 -3.691 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.217 -2.872 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.018 -4.079 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.944 -2.461 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.289 -1.531 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.609 -1.127 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.786 -5.146 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.536 -5.419 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.722 -4.193 3.068 1.00 0.00 H new ATOM 306 N ARG A 24 9.429 0.033 -0.764 1.00 0.00 N ATOM 307 CA ARG A 24 9.521 1.483 -0.734 1.00 0.00 C ATOM 308 C ARG A 24 8.304 2.106 -1.421 1.00 0.00 C ATOM 309 O ARG A 24 8.087 1.900 -2.614 1.00 0.00 O ATOM 310 CB ARG A 24 10.794 1.969 -1.428 1.00 0.00 C ATOM 311 CG ARG A 24 10.737 1.695 -2.932 1.00 0.00 C ATOM 312 CD ARG A 24 10.348 2.957 -3.705 1.00 0.00 C ATOM 313 NE ARG A 24 11.502 3.880 -3.782 1.00 0.00 N ATOM 314 CZ ARG A 24 11.688 4.931 -2.955 1.00 0.00 C ATOM 315 NH1 ARG A 24 10.795 5.201 -1.980 1.00 0.00 N ATOM 316 NH2 ARG A 24 12.756 5.690 -3.115 1.00 0.00 N ATOM 0 H ARG A 24 8.869 -0.343 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 24 9.551 1.792 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.922 3.037 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.661 1.469 -0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.707 1.337 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.015 0.904 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.017 2.691 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.510 3.450 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 24 12.201 3.712 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.972 4.609 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.943 5.997 -1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.426 5.479 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.912 6.488 -2.499 1.00 0.00 H new ATOM 330 N VAL A 25 7.542 2.856 -0.638 1.00 0.00 N ATOM 331 CA VAL A 25 6.353 3.510 -1.156 1.00 0.00 C ATOM 332 C VAL A 25 6.764 4.567 -2.183 1.00 0.00 C ATOM 333 O VAL A 25 7.178 5.666 -1.817 1.00 0.00 O ATOM 334 CB VAL A 25 5.528 4.086 -0.003 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.346 5.095 0.806 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.233 4.717 -0.517 1.00 0.00 C ATOM 0 H VAL A 25 7.725 3.025 0.351 1.00 0.00 H new ATOM 0 HA VAL A 25 5.714 2.790 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 25 5.260 3.264 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.736 5.489 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.226 4.602 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.659 5.913 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.666 5.119 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.471 5.522 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.638 3.961 -1.028 1.00 0.00 H new ATOM 346 N LEU A 26 6.636 4.197 -3.449 1.00 0.00 N ATOM 347 CA LEU A 26 6.989 5.100 -4.531 1.00 0.00 C ATOM 348 C LEU A 26 5.763 5.929 -4.919 1.00 0.00 C ATOM 349 O LEU A 26 5.843 7.152 -5.019 1.00 0.00 O ATOM 350 CB LEU A 26 7.600 4.322 -5.699 1.00 0.00 C ATOM 351 CG LEU A 26 8.669 5.058 -6.509 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.703 4.559 -7.955 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.471 6.573 -6.430 1.00 0.00 C ATOM 0 H LEU A 26 6.293 3.285 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 26 7.758 5.801 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.037 3.403 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.796 4.031 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 26 9.642 4.837 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.472 5.099 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.929 3.493 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.733 4.729 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.244 7.072 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.490 6.833 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.537 6.895 -5.391 1.00 0.00 H new ATOM 365 N TYR A 27 4.657 5.230 -5.126 1.00 0.00 N ATOM 366 CA TYR A 27 3.416 5.886 -5.500 1.00 0.00 C ATOM 367 C TYR A 27 2.270 5.458 -4.581 1.00 0.00 C ATOM 368 O TYR A 27 1.544 4.514 -4.888 1.00 0.00 O ATOM 369 CB TYR A 27 3.109 5.426 -6.927 1.00 0.00 C ATOM 370 CG TYR A 27 2.743 3.945 -7.038 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.737 2.988 -7.057 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.418 3.566 -7.119 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.392 1.594 -7.161 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.073 2.172 -7.223 1.00 0.00 C ATOM 375 CZ TYR A 27 2.077 1.254 -7.239 1.00 0.00 C ATOM 376 OH TYR A 27 1.752 -0.062 -7.338 1.00 0.00 O ATOM 0 H TYR A 27 4.594 4.215 -5.042 1.00 0.00 H new ATOM 0 HA TYR A 27 3.516 6.969 -5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.287 6.023 -7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.977 5.623 -7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.774 3.285 -6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.640 4.315 -7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.160 0.835 -7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.040 1.862 -7.287 1.00 0.00 H new ATOM 0 HH TYR A 27 2.274 -0.578 -6.689 1.00 0.00 H new ATOM 386 N SER A 28 2.144 6.172 -3.473 1.00 0.00 N ATOM 387 CA SER A 28 1.099 5.878 -2.507 1.00 0.00 C ATOM 388 C SER A 28 -0.259 6.321 -3.055 1.00 0.00 C ATOM 389 O SER A 28 -0.522 7.516 -3.179 1.00 0.00 O ATOM 390 CB SER A 28 1.380 6.560 -1.167 1.00 0.00 C ATOM 391 OG SER A 28 1.526 7.971 -1.306 1.00 0.00 O ATOM 0 H SER A 28 2.749 6.954 -3.222 1.00 0.00 H new ATOM 0 HA SER A 28 1.082 4.801 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.566 6.346 -0.474 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.288 6.143 -0.731 1.00 0.00 H new ATOM 0 HG SER A 28 0.989 8.282 -2.064 1.00 0.00 H new ATOM 397 N THR A 29 -1.086 5.334 -3.367 1.00 0.00 N ATOM 398 CA THR A 29 -2.410 5.607 -3.898 1.00 0.00 C ATOM 399 C THR A 29 -3.407 5.826 -2.758 1.00 0.00 C ATOM 400 O THR A 29 -3.155 5.425 -1.623 1.00 0.00 O ATOM 401 CB THR A 29 -2.794 4.455 -4.828 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.717 5.039 -5.743 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.609 3.374 -4.115 1.00 0.00 C ATOM 0 H THR A 29 -0.864 4.344 -3.262 1.00 0.00 H new ATOM 0 HA THR A 29 -2.420 6.529 -4.479 1.00 0.00 H new ATOM 0 HB THR A 29 -1.891 4.011 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.692 4.548 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.855 2.580 -4.820 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.025 2.961 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.528 3.810 -3.724 1.00 0.00 H new ATOM 411 N LYS A 30 -4.519 6.461 -3.100 1.00 0.00 N ATOM 412 CA LYS A 30 -5.555 6.737 -2.120 1.00 0.00 C ATOM 413 C LYS A 30 -6.681 5.712 -2.271 1.00 0.00 C ATOM 414 O LYS A 30 -7.088 5.391 -3.387 1.00 0.00 O ATOM 415 CB LYS A 30 -6.026 8.188 -2.233 1.00 0.00 C ATOM 416 CG LYS A 30 -7.244 8.441 -1.342 1.00 0.00 C ATOM 417 CD LYS A 30 -8.404 9.024 -2.151 1.00 0.00 C ATOM 418 CE LYS A 30 -9.111 10.135 -1.373 1.00 0.00 C ATOM 419 NZ LYS A 30 -9.495 9.660 -0.025 1.00 0.00 N ATOM 0 H LYS A 30 -4.725 6.792 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.161 6.631 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.217 8.860 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.276 8.413 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.556 7.508 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.975 9.127 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.031 9.418 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.116 8.235 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.455 11.001 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.998 10.460 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.302 10.216 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.762 8.656 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.691 9.774 0.625 1.00 0.00 H new ATOM 433 N VAL A 31 -7.152 5.226 -1.132 1.00 0.00 N ATOM 434 CA VAL A 31 -8.223 4.244 -1.123 1.00 0.00 C ATOM 435 C VAL A 31 -9.539 4.927 -1.498 1.00 0.00 C ATOM 436 O VAL A 31 -9.894 5.956 -0.924 1.00 0.00 O ATOM 437 CB VAL A 31 -8.279 3.542 0.235 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.873 2.139 0.103 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.894 3.493 0.884 1.00 0.00 C ATOM 0 H VAL A 31 -6.811 5.494 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.036 3.469 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.933 4.122 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.901 1.662 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.885 2.208 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.257 1.545 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.962 2.989 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.208 2.947 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.525 4.508 1.030 1.00 0.00 H new ATOM 449 N THR A 32 -10.228 4.328 -2.458 1.00 0.00 N ATOM 450 CA THR A 32 -11.497 4.867 -2.916 1.00 0.00 C ATOM 451 C THR A 32 -12.625 4.453 -1.968 1.00 0.00 C ATOM 452 O THR A 32 -12.391 3.739 -0.994 1.00 0.00 O ATOM 453 CB THR A 32 -11.715 4.403 -4.358 1.00 0.00 C ATOM 454 OG1 THR A 32 -13.040 4.829 -4.663 1.00 0.00 O ATOM 455 CG2 THR A 32 -11.776 2.880 -4.480 1.00 0.00 C ATOM 0 H THR A 32 -9.931 3.475 -2.931 1.00 0.00 H new ATOM 0 HA THR A 32 -11.490 5.957 -2.907 1.00 0.00 H new ATOM 0 HB THR A 32 -10.912 4.785 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.264 4.570 -5.581 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.932 2.604 -5.523 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.839 2.449 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.600 2.499 -3.877 1.00 0.00 H new ATOM 463 N THR A 33 -13.823 4.920 -2.286 1.00 0.00 N ATOM 464 CA THR A 33 -14.988 4.608 -1.475 1.00 0.00 C ATOM 465 C THR A 33 -15.531 3.222 -1.832 1.00 0.00 C ATOM 466 O THR A 33 -16.313 2.645 -1.079 1.00 0.00 O ATOM 467 CB THR A 33 -16.011 5.729 -1.666 1.00 0.00 C ATOM 468 OG1 THR A 33 -17.157 5.278 -0.948 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.497 5.839 -3.112 1.00 0.00 C ATOM 0 H THR A 33 -14.013 5.512 -3.094 1.00 0.00 H new ATOM 0 HA THR A 33 -14.732 4.559 -0.417 1.00 0.00 H new ATOM 0 HB THR A 33 -15.571 6.678 -1.358 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.047 4.332 -0.718 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.221 6.650 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.649 6.044 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.967 4.902 -3.410 1.00 0.00 H new ATOM 477 N SER A 34 -15.093 2.729 -2.982 1.00 0.00 N ATOM 478 CA SER A 34 -15.525 1.422 -3.448 1.00 0.00 C ATOM 479 C SER A 34 -14.477 0.367 -3.091 1.00 0.00 C ATOM 480 O SER A 34 -14.513 -0.749 -3.609 1.00 0.00 O ATOM 481 CB SER A 34 -15.778 1.432 -4.957 1.00 0.00 C ATOM 482 OG SER A 34 -15.859 0.114 -5.493 1.00 0.00 O ATOM 0 H SER A 34 -14.444 3.211 -3.604 1.00 0.00 H new ATOM 0 HA SER A 34 -16.463 1.174 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.705 1.966 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.977 1.978 -5.455 1.00 0.00 H new ATOM 0 HG SER A 34 -15.827 -0.539 -4.763 1.00 0.00 H new ATOM 488 N ILE A 35 -13.568 0.755 -2.209 1.00 0.00 N ATOM 489 CA ILE A 35 -12.512 -0.144 -1.778 1.00 0.00 C ATOM 490 C ILE A 35 -13.113 -1.251 -0.909 1.00 0.00 C ATOM 491 O ILE A 35 -14.288 -1.194 -0.551 1.00 0.00 O ATOM 492 CB ILE A 35 -11.391 0.638 -1.089 1.00 0.00 C ATOM 493 CG1 ILE A 35 -10.027 0.277 -1.681 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.430 0.432 0.427 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.223 -0.596 -0.716 1.00 0.00 C ATOM 0 H ILE A 35 -13.541 1.680 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.050 -0.629 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.552 1.700 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.165 -0.250 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.470 1.188 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.623 0.998 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.387 0.778 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.307 -0.627 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.258 -0.838 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.066 -0.057 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.771 -1.517 -0.516 1.00 0.00 H new ATOM 507 N THR A 36 -12.279 -2.231 -0.595 1.00 0.00 N ATOM 508 CA THR A 36 -12.714 -3.350 0.224 1.00 0.00 C ATOM 509 C THR A 36 -12.976 -2.889 1.660 1.00 0.00 C ATOM 510 O THR A 36 -12.064 -2.425 2.343 1.00 0.00 O ATOM 511 CB THR A 36 -11.656 -4.450 0.123 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.077 -5.426 1.072 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.288 -3.996 0.638 1.00 0.00 C ATOM 0 H THR A 36 -11.304 -2.274 -0.893 1.00 0.00 H new ATOM 0 HA THR A 36 -13.661 -3.756 -0.132 1.00 0.00 H new ATOM 0 HB THR A 36 -11.565 -4.771 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.302 -5.740 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.574 -4.814 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.943 -3.144 0.052 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.371 -3.706 1.685 1.00 0.00 H new ATOM 521 N SER A 37 -14.226 -3.032 2.075 1.00 0.00 N ATOM 522 CA SER A 37 -14.619 -2.636 3.416 1.00 0.00 C ATOM 523 C SER A 37 -15.132 -3.852 4.191 1.00 0.00 C ATOM 524 O SER A 37 -15.035 -3.897 5.417 1.00 0.00 O ATOM 525 CB SER A 37 -15.688 -1.543 3.377 1.00 0.00 C ATOM 526 OG SER A 37 -16.235 -1.377 2.071 1.00 0.00 O ATOM 0 H SER A 37 -14.980 -3.417 1.506 1.00 0.00 H new ATOM 0 HA SER A 37 -13.743 -2.232 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.487 -1.792 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.255 -0.600 3.711 1.00 0.00 H new ATOM 0 HG SER A 37 -16.915 -0.671 2.088 1.00 0.00 H new ATOM 532 N LYS A 38 -15.666 -4.807 3.445 1.00 0.00 N ATOM 533 CA LYS A 38 -16.194 -6.020 4.047 1.00 0.00 C ATOM 534 C LYS A 38 -15.202 -7.165 3.831 1.00 0.00 C ATOM 535 O LYS A 38 -14.879 -7.896 4.766 1.00 0.00 O ATOM 536 CB LYS A 38 -17.598 -6.314 3.516 1.00 0.00 C ATOM 537 CG LYS A 38 -17.538 -7.179 2.255 1.00 0.00 C ATOM 538 CD LYS A 38 -18.943 -7.544 1.772 1.00 0.00 C ATOM 539 CE LYS A 38 -19.506 -6.460 0.851 1.00 0.00 C ATOM 540 NZ LYS A 38 -18.564 -6.181 -0.256 1.00 0.00 N ATOM 0 H LYS A 38 -15.745 -4.766 2.429 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.306 -5.894 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.181 -6.823 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.110 -5.378 3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.007 -6.644 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.973 -8.088 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.913 -8.496 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.603 -7.676 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.467 -6.780 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.688 -5.549 1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.096 -5.878 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.907 -5.427 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.026 -7.042 -0.479 1.00 0.00 H new ATOM 554 N LYS A 39 -14.747 -7.285 2.592 1.00 0.00 N ATOM 555 CA LYS A 39 -13.799 -8.329 2.242 1.00 0.00 C ATOM 556 C LYS A 39 -12.461 -8.048 2.929 1.00 0.00 C ATOM 557 O LYS A 39 -11.882 -6.977 2.754 1.00 0.00 O ATOM 558 CB LYS A 39 -13.693 -8.467 0.722 1.00 0.00 C ATOM 559 CG LYS A 39 -13.679 -9.940 0.305 1.00 0.00 C ATOM 560 CD LYS A 39 -15.053 -10.580 0.508 1.00 0.00 C ATOM 561 CE LYS A 39 -15.959 -10.327 -0.699 1.00 0.00 C ATOM 562 NZ LYS A 39 -15.790 -11.398 -1.707 1.00 0.00 N ATOM 0 H LYS A 39 -15.017 -6.677 1.819 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.146 -9.297 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.533 -7.959 0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.785 -7.977 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.386 -10.023 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.933 -10.480 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.939 -11.653 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.517 -10.175 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.000 -10.283 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.722 -9.360 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.412 -11.211 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.801 -11.421 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.039 -12.315 -1.284 1.00 0.00 H new ATOM 576 N TRP A 40 -12.008 -9.029 3.696 1.00 0.00 N ATOM 577 CA TRP A 40 -10.749 -8.901 4.409 1.00 0.00 C ATOM 578 C TRP A 40 -10.066 -10.270 4.413 1.00 0.00 C ATOM 579 O TRP A 40 -10.683 -11.274 4.765 1.00 0.00 O ATOM 580 CB TRP A 40 -10.971 -8.340 5.815 1.00 0.00 C ATOM 581 CG TRP A 40 -11.475 -6.895 5.837 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.442 -6.371 6.602 1.00 0.00 C ATOM 583 CD2 TRP A 40 -10.997 -5.805 5.022 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.621 -5.027 6.341 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.714 -4.672 5.349 1.00 0.00 C ATOM 586 CE3 TRP A 40 -9.991 -5.777 4.040 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.502 -3.429 4.743 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.791 -4.526 3.443 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.504 -3.377 3.761 1.00 0.00 C ATOM 0 H TRP A 40 -12.491 -9.916 3.839 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.094 -8.187 3.910 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.689 -8.972 6.338 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.034 -8.396 6.369 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.010 -6.930 7.331 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.295 -4.409 6.793 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.418 -6.651 3.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.077 -2.557 5.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.029 -4.449 2.682 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.290 -2.448 3.254 1.00 0.00 H new ATOM 600 N GLY A 41 -8.802 -10.265 4.017 1.00 0.00 N ATOM 601 CA GLY A 41 -8.028 -11.494 3.970 1.00 0.00 C ATOM 602 C GLY A 41 -6.823 -11.420 4.910 1.00 0.00 C ATOM 603 O GLY A 41 -6.386 -10.332 5.279 1.00 0.00 O ATOM 0 H GLY A 41 -8.294 -9.430 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.660 -12.337 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.688 -11.675 2.950 1.00 0.00 H new ATOM 607 N THR A 42 -6.321 -12.593 5.270 1.00 0.00 N ATOM 608 CA THR A 42 -5.176 -12.674 6.160 1.00 0.00 C ATOM 609 C THR A 42 -3.996 -11.888 5.585 1.00 0.00 C ATOM 610 O THR A 42 -3.219 -11.294 6.330 1.00 0.00 O ATOM 611 CB THR A 42 -4.863 -14.154 6.394 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.643 -14.139 7.129 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.510 -14.889 5.100 1.00 0.00 C ATOM 0 H THR A 42 -6.686 -13.494 4.961 1.00 0.00 H new ATOM 0 HA THR A 42 -5.392 -12.215 7.125 1.00 0.00 H new ATOM 0 HB THR A 42 -5.720 -14.637 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.368 -15.059 7.325 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.297 -15.935 5.322 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.349 -14.829 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.632 -14.428 4.648 1.00 0.00 H new ATOM 621 N ARG A 43 -3.900 -11.910 4.263 1.00 0.00 N ATOM 622 CA ARG A 43 -2.828 -11.206 3.579 1.00 0.00 C ATOM 623 C ARG A 43 -3.312 -9.835 3.104 1.00 0.00 C ATOM 624 O ARG A 43 -2.590 -9.125 2.405 1.00 0.00 O ATOM 625 CB ARG A 43 -2.324 -12.006 2.377 1.00 0.00 C ATOM 626 CG ARG A 43 -1.005 -12.710 2.701 1.00 0.00 C ATOM 627 CD ARG A 43 -0.311 -13.190 1.424 1.00 0.00 C ATOM 628 NE ARG A 43 -0.711 -14.583 1.123 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.292 -15.274 0.042 1.00 0.00 C ATOM 630 NH1 ARG A 43 0.544 -14.706 -0.852 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.713 -16.513 -0.128 1.00 0.00 N ATOM 0 H ARG A 43 -4.547 -12.404 3.648 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.009 -11.080 4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.072 -12.744 2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.185 -11.340 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.348 -12.029 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.194 -13.559 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.575 -12.539 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.771 -13.132 1.544 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.343 -15.050 1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.864 -13.747 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.856 -15.235 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.346 -16.935 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.406 -17.049 -0.940 1.00 0.00 H new ATOM 645 N ASP A 44 -4.531 -9.502 3.503 1.00 0.00 N ATOM 646 CA ASP A 44 -5.120 -8.228 3.127 1.00 0.00 C ATOM 647 C ASP A 44 -5.092 -7.283 4.329 1.00 0.00 C ATOM 648 O ASP A 44 -4.922 -7.723 5.465 1.00 0.00 O ATOM 649 CB ASP A 44 -6.578 -8.401 2.696 1.00 0.00 C ATOM 650 CG ASP A 44 -6.937 -7.758 1.355 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.632 -8.392 0.322 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.508 -6.647 1.393 1.00 0.00 O ATOM 0 H ASP A 44 -5.127 -10.093 4.083 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.543 -7.823 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.801 -9.467 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.222 -7.979 3.468 1.00 0.00 H new ATOM 657 N LEU A 45 -5.260 -6.001 4.038 1.00 0.00 N ATOM 658 CA LEU A 45 -5.256 -4.990 5.082 1.00 0.00 C ATOM 659 C LEU A 45 -6.698 -4.646 5.458 1.00 0.00 C ATOM 660 O LEU A 45 -7.611 -4.808 4.649 1.00 0.00 O ATOM 661 CB LEU A 45 -4.427 -3.779 4.650 1.00 0.00 C ATOM 662 CG LEU A 45 -3.634 -3.080 5.756 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.525 -3.988 6.292 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.090 -1.734 5.275 1.00 0.00 C ATOM 0 H LEU A 45 -5.400 -5.639 3.095 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.775 -5.373 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.729 -4.099 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.096 -3.050 4.194 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.312 -2.875 6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.976 -3.468 7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.965 -4.898 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.843 -4.246 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.531 -1.259 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.432 -1.892 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.919 -1.091 4.980 1.00 0.00 H new ATOM 676 N GLN A 46 -6.860 -4.177 6.687 1.00 0.00 N ATOM 677 CA GLN A 46 -8.175 -3.808 7.181 1.00 0.00 C ATOM 678 C GLN A 46 -8.474 -2.343 6.855 1.00 0.00 C ATOM 679 O GLN A 46 -9.176 -1.667 7.605 1.00 0.00 O ATOM 680 CB GLN A 46 -8.290 -4.070 8.684 1.00 0.00 C ATOM 681 CG GLN A 46 -9.583 -3.475 9.247 1.00 0.00 C ATOM 682 CD GLN A 46 -10.090 -4.293 10.436 1.00 0.00 C ATOM 683 OE1 GLN A 46 -10.010 -3.885 11.583 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.616 -5.468 10.099 1.00 0.00 N ATOM 0 H GLN A 46 -6.101 -4.044 7.355 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.917 -4.430 6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.267 -5.143 8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.432 -3.638 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.409 -2.445 9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.345 -3.448 8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.652 -5.748 9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.983 -6.088 10.821 1.00 0.00 H new ATOM 693 N VAL A 47 -7.925 -1.896 5.735 1.00 0.00 N ATOM 694 CA VAL A 47 -8.123 -0.524 5.301 1.00 0.00 C ATOM 695 C VAL A 47 -9.605 -0.300 4.991 1.00 0.00 C ATOM 696 O VAL A 47 -10.351 -1.256 4.784 1.00 0.00 O ATOM 697 CB VAL A 47 -7.211 -0.214 4.112 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.744 -0.468 4.465 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.626 -1.018 2.879 1.00 0.00 C ATOM 0 H VAL A 47 -7.343 -2.460 5.115 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.848 0.170 6.095 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.319 0.844 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.118 -0.240 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.456 0.168 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.612 -1.514 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.962 -0.779 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.561 -2.083 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.651 -0.765 2.608 1.00 0.00 H new ATOM 709 N LYS A 48 -9.987 0.968 4.970 1.00 0.00 N ATOM 710 CA LYS A 48 -11.366 1.329 4.690 1.00 0.00 C ATOM 711 C LYS A 48 -11.426 2.119 3.380 1.00 0.00 C ATOM 712 O LYS A 48 -10.435 2.718 2.967 1.00 0.00 O ATOM 713 CB LYS A 48 -11.980 2.067 5.881 1.00 0.00 C ATOM 714 CG LYS A 48 -13.065 1.221 6.551 1.00 0.00 C ATOM 715 CD LYS A 48 -12.450 0.047 7.315 1.00 0.00 C ATOM 716 CE LYS A 48 -12.025 0.471 8.723 1.00 0.00 C ATOM 717 NZ LYS A 48 -11.404 -0.664 9.441 1.00 0.00 N ATOM 0 H LYS A 48 -9.366 1.758 5.142 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.973 0.434 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.202 2.306 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.406 3.013 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.644 1.841 7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.757 0.846 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.171 -0.768 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.586 -0.334 6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.320 1.300 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.892 0.830 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.885 -0.309 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.145 -1.324 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.746 -1.158 8.805 1.00 0.00 H new ATOM 731 N PRO A 49 -12.630 2.093 2.748 1.00 0.00 N ATOM 732 CA PRO A 49 -12.832 2.799 1.495 1.00 0.00 C ATOM 733 C PRO A 49 -12.947 4.307 1.727 1.00 0.00 C ATOM 734 O PRO A 49 -13.775 4.756 2.519 1.00 0.00 O ATOM 735 CB PRO A 49 -14.093 2.192 0.900 1.00 0.00 C ATOM 736 CG PRO A 49 -14.806 1.501 2.051 1.00 0.00 C ATOM 737 CD PRO A 49 -13.826 1.394 3.209 1.00 0.00 C ATOM 0 HA PRO A 49 -11.991 2.689 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.724 2.961 0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.849 1.483 0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.688 2.067 2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.149 0.512 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.229 1.852 4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.609 0.353 3.449 1.00 0.00 H new ATOM 745 N GLY A 50 -12.105 5.048 1.022 1.00 0.00 N ATOM 746 CA GLY A 50 -12.101 6.496 1.141 1.00 0.00 C ATOM 747 C GLY A 50 -10.962 6.969 2.047 1.00 0.00 C ATOM 748 O GLY A 50 -10.942 8.122 2.474 1.00 0.00 O ATOM 0 H GLY A 50 -11.420 4.672 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.995 6.945 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.056 6.834 1.544 1.00 0.00 H new ATOM 752 N GLU A 51 -10.041 6.054 2.312 1.00 0.00 N ATOM 753 CA GLU A 51 -8.902 6.363 3.159 1.00 0.00 C ATOM 754 C GLU A 51 -7.620 6.417 2.325 1.00 0.00 C ATOM 755 O GLU A 51 -7.630 6.077 1.143 1.00 0.00 O ATOM 756 CB GLU A 51 -8.773 5.349 4.297 1.00 0.00 C ATOM 757 CG GLU A 51 -8.676 6.054 5.651 1.00 0.00 C ATOM 758 CD GLU A 51 -8.690 5.042 6.799 1.00 0.00 C ATOM 759 OE1 GLU A 51 -7.591 4.546 7.132 1.00 0.00 O ATOM 760 OE2 GLU A 51 -9.798 4.787 7.317 1.00 0.00 O ATOM 0 H GLU A 51 -10.061 5.099 1.955 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.063 7.343 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.634 4.680 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.888 4.732 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.760 6.644 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.508 6.749 5.764 1.00 0.00 H new ATOM 767 N SER A 52 -6.548 6.846 2.974 1.00 0.00 N ATOM 768 CA SER A 52 -5.261 6.949 2.307 1.00 0.00 C ATOM 769 C SER A 52 -4.306 5.880 2.845 1.00 0.00 C ATOM 770 O SER A 52 -4.172 5.716 4.056 1.00 0.00 O ATOM 771 CB SER A 52 -4.655 8.342 2.490 1.00 0.00 C ATOM 772 OG SER A 52 -5.506 9.199 3.245 1.00 0.00 O ATOM 0 H SER A 52 -6.544 7.126 3.955 1.00 0.00 H new ATOM 0 HA SER A 52 -5.415 6.787 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.691 8.255 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.467 8.787 1.513 1.00 0.00 H new ATOM 0 HG SER A 52 -5.083 10.078 3.341 1.00 0.00 H new ATOM 778 N LEU A 53 -3.668 5.182 1.917 1.00 0.00 N ATOM 779 CA LEU A 53 -2.730 4.134 2.283 1.00 0.00 C ATOM 780 C LEU A 53 -1.519 4.192 1.350 1.00 0.00 C ATOM 781 O LEU A 53 -1.628 4.646 0.212 1.00 0.00 O ATOM 782 CB LEU A 53 -3.428 2.773 2.301 1.00 0.00 C ATOM 783 CG LEU A 53 -3.031 1.801 1.188 1.00 0.00 C ATOM 784 CD1 LEU A 53 -3.968 0.592 1.156 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.967 2.512 -0.165 1.00 0.00 C ATOM 0 H LEU A 53 -3.782 5.321 0.913 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.360 4.290 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.228 2.297 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.504 2.938 2.246 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.030 1.427 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.664 -0.083 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.919 0.068 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.990 0.928 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.683 1.798 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.944 2.933 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.228 3.312 -0.121 1.00 0.00 H new ATOM 797 N GLU A 54 -0.391 3.725 1.867 1.00 0.00 N ATOM 798 CA GLU A 54 0.839 3.718 1.094 1.00 0.00 C ATOM 799 C GLU A 54 0.848 2.538 0.120 1.00 0.00 C ATOM 800 O GLU A 54 0.539 1.410 0.503 1.00 0.00 O ATOM 801 CB GLU A 54 2.063 3.680 2.012 1.00 0.00 C ATOM 802 CG GLU A 54 2.725 5.057 2.100 1.00 0.00 C ATOM 803 CD GLU A 54 4.177 4.938 2.567 1.00 0.00 C ATOM 804 OE1 GLU A 54 4.637 3.783 2.701 1.00 0.00 O ATOM 805 OE2 GLU A 54 4.794 6.004 2.779 1.00 0.00 O ATOM 0 H GLU A 54 -0.304 3.349 2.811 1.00 0.00 H new ATOM 0 HA GLU A 54 0.887 4.641 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.765 3.351 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.781 2.951 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.691 5.544 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.167 5.689 2.791 1.00 0.00 H new ATOM 812 N VAL A 55 1.205 2.838 -1.120 1.00 0.00 N ATOM 813 CA VAL A 55 1.258 1.816 -2.151 1.00 0.00 C ATOM 814 C VAL A 55 2.717 1.447 -2.424 1.00 0.00 C ATOM 815 O VAL A 55 3.543 2.321 -2.686 1.00 0.00 O ATOM 816 CB VAL A 55 0.519 2.296 -3.402 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.074 1.623 -4.659 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.987 2.060 -3.274 1.00 0.00 C ATOM 0 H VAL A 55 1.460 3.774 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 55 0.751 0.911 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 55 0.683 3.369 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.531 1.982 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.132 1.864 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.955 0.543 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.488 2.410 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.179 0.995 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.369 2.607 -2.412 1.00 0.00 H new ATOM 828 N ILE A 56 2.991 0.153 -2.352 1.00 0.00 N ATOM 829 CA ILE A 56 4.337 -0.342 -2.588 1.00 0.00 C ATOM 830 C ILE A 56 4.485 -0.721 -4.063 1.00 0.00 C ATOM 831 O ILE A 56 4.019 0.001 -4.943 1.00 0.00 O ATOM 832 CB ILE A 56 4.665 -1.483 -1.623 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.280 -1.115 -0.188 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.135 -1.890 -1.736 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.906 -2.088 0.813 1.00 0.00 C ATOM 0 H ILE A 56 2.304 -0.568 -2.134 1.00 0.00 H new ATOM 0 HA ILE A 56 5.071 0.437 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 56 4.068 -2.351 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.609 -0.099 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.195 -1.128 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.342 -2.703 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.344 -2.222 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.768 -1.036 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.617 -1.805 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.556 -3.099 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.992 -2.054 0.723 1.00 0.00 H new ATOM 847 N GLN A 57 5.135 -1.854 -4.287 1.00 0.00 N ATOM 848 CA GLN A 57 5.350 -2.339 -5.640 1.00 0.00 C ATOM 849 C GLN A 57 4.245 -3.322 -6.033 1.00 0.00 C ATOM 850 O GLN A 57 3.632 -3.949 -5.171 1.00 0.00 O ATOM 851 CB GLN A 57 6.731 -2.981 -5.778 1.00 0.00 C ATOM 852 CG GLN A 57 7.832 -1.919 -5.788 1.00 0.00 C ATOM 853 CD GLN A 57 7.639 -0.940 -6.948 1.00 0.00 C ATOM 854 OE1 GLN A 57 7.397 0.242 -6.763 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.759 -1.495 -8.150 1.00 0.00 N ATOM 0 H GLN A 57 5.520 -2.450 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 57 5.311 -1.489 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.897 -3.674 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.775 -3.564 -6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.826 -1.375 -4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.806 -2.401 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.963 -2.491 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.648 -0.925 -8.988 1.00 0.00 H new ATOM 864 N THR A 58 4.026 -3.425 -7.336 1.00 0.00 N ATOM 865 CA THR A 58 3.006 -4.321 -7.854 1.00 0.00 C ATOM 866 C THR A 58 3.398 -5.778 -7.600 1.00 0.00 C ATOM 867 O THR A 58 4.449 -6.231 -8.051 1.00 0.00 O ATOM 868 CB THR A 58 2.801 -3.997 -9.335 1.00 0.00 C ATOM 869 OG1 THR A 58 4.120 -3.785 -9.830 1.00 0.00 O ATOM 870 CG2 THR A 58 2.101 -2.653 -9.548 1.00 0.00 C ATOM 0 H THR A 58 4.537 -2.903 -8.048 1.00 0.00 H new ATOM 0 HA THR A 58 2.055 -4.178 -7.340 1.00 0.00 H new ATOM 0 HB THR A 58 2.216 -4.789 -9.803 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.704 -4.511 -9.526 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.980 -2.471 -10.616 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.122 -2.673 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.702 -1.856 -9.110 1.00 0.00 H new ATOM 878 N THR A 59 2.531 -6.473 -6.877 1.00 0.00 N ATOM 879 CA THR A 59 2.773 -7.870 -6.558 1.00 0.00 C ATOM 880 C THR A 59 3.035 -8.671 -7.834 1.00 0.00 C ATOM 881 O THR A 59 4.176 -9.028 -8.124 1.00 0.00 O ATOM 882 CB THR A 59 1.578 -8.384 -5.752 1.00 0.00 C ATOM 883 OG1 THR A 59 1.889 -8.031 -4.407 1.00 0.00 O ATOM 884 CG2 THR A 59 1.502 -9.912 -5.728 1.00 0.00 C ATOM 0 H THR A 59 1.661 -6.095 -6.503 1.00 0.00 H new ATOM 0 HA THR A 59 3.669 -7.987 -5.949 1.00 0.00 H new ATOM 0 HB THR A 59 0.656 -7.981 -6.172 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.198 -8.384 -3.808 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.637 -10.224 -5.143 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.406 -10.288 -6.747 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.409 -10.314 -5.277 1.00 0.00 H new ATOM 892 N ASP A 60 1.959 -8.931 -8.563 1.00 0.00 N ATOM 893 CA ASP A 60 2.059 -9.684 -9.802 1.00 0.00 C ATOM 894 C ASP A 60 1.902 -8.730 -10.987 1.00 0.00 C ATOM 895 O ASP A 60 2.882 -8.160 -11.464 1.00 0.00 O ATOM 896 CB ASP A 60 0.955 -10.740 -9.895 1.00 0.00 C ATOM 897 CG ASP A 60 0.721 -11.309 -11.295 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.735 -11.578 -11.975 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.466 -11.463 -11.654 1.00 0.00 O ATOM 0 H ASP A 60 1.014 -8.634 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 60 3.031 -10.176 -9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.201 -11.561 -9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.023 -10.302 -9.537 1.00 0.00 H new ATOM 904 N ASP A 61 0.661 -8.586 -11.429 1.00 0.00 N ATOM 905 CA ASP A 61 0.363 -7.711 -12.550 1.00 0.00 C ATOM 906 C ASP A 61 -0.559 -6.583 -12.081 1.00 0.00 C ATOM 907 O ASP A 61 -0.225 -5.407 -12.217 1.00 0.00 O ATOM 908 CB ASP A 61 -0.353 -8.472 -13.668 1.00 0.00 C ATOM 909 CG ASP A 61 0.568 -9.091 -14.721 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.411 -9.922 -14.320 1.00 0.00 O ATOM 911 OD2 ASP A 61 0.409 -8.719 -15.904 1.00 0.00 O ATOM 0 H ASP A 61 -0.149 -9.061 -11.031 1.00 0.00 H new ATOM 0 HA ASP A 61 1.306 -7.316 -12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.953 -9.264 -13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.044 -7.791 -14.166 1.00 0.00 H new ATOM 916 N THR A 62 -1.699 -6.982 -11.538 1.00 0.00 N ATOM 917 CA THR A 62 -2.671 -6.020 -11.047 1.00 0.00 C ATOM 918 C THR A 62 -2.876 -6.190 -9.541 1.00 0.00 C ATOM 919 O THR A 62 -3.941 -6.620 -9.100 1.00 0.00 O ATOM 920 CB THR A 62 -3.957 -6.192 -11.858 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.523 -6.793 -13.075 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.556 -4.854 -12.297 1.00 0.00 C ATOM 0 H THR A 62 -1.972 -7.959 -11.427 1.00 0.00 H new ATOM 0 HA THR A 62 -2.318 -4.998 -11.182 1.00 0.00 H new ATOM 0 HB THR A 62 -4.689 -6.741 -11.265 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.295 -6.942 -13.660 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.467 -5.033 -12.869 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.792 -4.255 -11.417 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.837 -4.320 -12.918 1.00 0.00 H new ATOM 930 N LYS A 63 -1.840 -5.843 -8.792 1.00 0.00 N ATOM 931 CA LYS A 63 -1.892 -5.951 -7.344 1.00 0.00 C ATOM 932 C LYS A 63 -0.907 -4.958 -6.726 1.00 0.00 C ATOM 933 O LYS A 63 0.258 -4.907 -7.119 1.00 0.00 O ATOM 934 CB LYS A 63 -1.661 -7.399 -6.906 1.00 0.00 C ATOM 935 CG LYS A 63 -1.556 -7.501 -5.383 1.00 0.00 C ATOM 936 CD LYS A 63 -2.943 -7.528 -4.738 1.00 0.00 C ATOM 937 CE LYS A 63 -3.378 -8.963 -4.434 1.00 0.00 C ATOM 938 NZ LYS A 63 -2.521 -9.553 -3.381 1.00 0.00 N ATOM 0 H LYS A 63 -0.959 -5.486 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.884 -5.685 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.480 -8.025 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.748 -7.780 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.008 -8.403 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.988 -6.655 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.931 -6.945 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.667 -7.058 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.419 -8.973 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.319 -9.567 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.990 -10.356 -3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.854 -8.835 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.116 -9.883 -2.594 1.00 0.00 H new ATOM 952 N VAL A 64 -1.410 -4.191 -5.769 1.00 0.00 N ATOM 953 CA VAL A 64 -0.588 -3.202 -5.093 1.00 0.00 C ATOM 954 C VAL A 64 -0.547 -3.516 -3.597 1.00 0.00 C ATOM 955 O VAL A 64 -1.590 -3.671 -2.963 1.00 0.00 O ATOM 956 CB VAL A 64 -1.109 -1.795 -5.395 1.00 0.00 C ATOM 957 CG1 VAL A 64 -0.777 -1.384 -6.831 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.613 -1.699 -5.131 1.00 0.00 C ATOM 0 H VAL A 64 -2.377 -4.235 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 64 0.437 -3.241 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.606 -1.100 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.158 -0.380 -7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.304 -1.394 -6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.240 -2.084 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.958 -0.689 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.140 -2.411 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.814 -1.929 -4.085 1.00 0.00 H new ATOM 968 N LEU A 65 0.668 -3.600 -3.075 1.00 0.00 N ATOM 969 CA LEU A 65 0.858 -3.892 -1.665 1.00 0.00 C ATOM 970 C LEU A 65 0.835 -2.585 -0.869 1.00 0.00 C ATOM 971 O LEU A 65 1.542 -1.637 -1.207 1.00 0.00 O ATOM 972 CB LEU A 65 2.129 -4.717 -1.455 1.00 0.00 C ATOM 973 CG LEU A 65 3.022 -4.289 -0.289 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.384 -4.655 1.053 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.429 -4.873 -0.433 1.00 0.00 C ATOM 0 H LEU A 65 1.531 -3.471 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 65 0.040 -4.508 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.842 -5.758 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.718 -4.679 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 65 3.120 -3.204 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.039 -4.340 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.421 -4.152 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.237 -5.734 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.043 -4.553 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.371 -5.961 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.876 -4.521 -1.363 1.00 0.00 H new ATOM 987 N CYS A 66 0.015 -2.577 0.171 1.00 0.00 N ATOM 988 CA CYS A 66 -0.109 -1.402 1.017 1.00 0.00 C ATOM 989 C CYS A 66 0.907 -1.520 2.155 1.00 0.00 C ATOM 990 O CYS A 66 1.350 -2.619 2.485 1.00 0.00 O ATOM 991 CB CYS A 66 -1.536 -1.231 1.542 1.00 0.00 C ATOM 992 SG CYS A 66 -1.509 -0.384 3.163 1.00 0.00 S ATOM 0 H CYS A 66 -0.570 -3.365 0.447 1.00 0.00 H new ATOM 0 HA CYS A 66 0.103 -0.506 0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.127 -0.654 0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.016 -2.205 1.639 1.00 0.00 H new ATOM 0 HG CYS A 66 -0.957 0.786 3.032 1.00 0.00 H new ATOM 998 N ARG A 67 1.247 -0.372 2.724 1.00 0.00 N ATOM 999 CA ARG A 67 2.202 -0.333 3.818 1.00 0.00 C ATOM 1000 C ARG A 67 1.691 0.576 4.937 1.00 0.00 C ATOM 1001 O ARG A 67 1.040 1.586 4.672 1.00 0.00 O ATOM 1002 CB ARG A 67 3.565 0.173 3.341 1.00 0.00 C ATOM 1003 CG ARG A 67 4.703 -0.545 4.070 1.00 0.00 C ATOM 1004 CD ARG A 67 6.063 0.012 3.646 1.00 0.00 C ATOM 1005 NE ARG A 67 6.892 0.289 4.840 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.933 1.148 4.857 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.283 1.822 3.741 1.00 0.00 N ATOM 1008 NH2 ARG A 67 8.604 1.318 5.981 1.00 0.00 N ATOM 0 H ARG A 67 0.878 0.538 2.447 1.00 0.00 H new ATOM 0 HA ARG A 67 2.316 -1.349 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.660 0.015 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.639 1.247 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.579 -0.431 5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.660 -1.613 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.571 -0.702 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.927 0.926 3.068 1.00 0.00 H new ATOM 0 HE ARG A 67 6.662 -0.200 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.759 1.684 2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.071 2.469 3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.333 0.804 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.393 1.963 6.011 1.00 0.00 H new ATOM 1022 N ASN A 68 2.005 0.186 6.163 1.00 0.00 N ATOM 1023 CA ASN A 68 1.585 0.953 7.323 1.00 0.00 C ATOM 1024 C ASN A 68 2.821 1.430 8.088 1.00 0.00 C ATOM 1025 O ASN A 68 3.744 0.653 8.330 1.00 0.00 O ATOM 1026 CB ASN A 68 0.741 0.100 8.273 1.00 0.00 C ATOM 1027 CG ASN A 68 0.140 0.954 9.390 1.00 0.00 C ATOM 1028 OD1 ASN A 68 0.678 1.977 9.783 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -1.002 0.480 9.879 1.00 0.00 N ATOM 0 H ASN A 68 2.546 -0.652 6.379 1.00 0.00 H new ATOM 0 HA ASN A 68 0.990 1.796 6.972 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.057 -0.390 7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.358 -0.688 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.482 0.979 10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.398 -0.382 9.505 1.00 0.00 H new ATOM 1036 N GLU A 69 2.800 2.705 8.449 1.00 0.00 N ATOM 1037 CA GLU A 69 3.907 3.294 9.181 1.00 0.00 C ATOM 1038 C GLU A 69 4.201 2.481 10.444 1.00 0.00 C ATOM 1039 O GLU A 69 5.279 2.597 11.024 1.00 0.00 O ATOM 1040 CB GLU A 69 3.620 4.757 9.526 1.00 0.00 C ATOM 1041 CG GLU A 69 4.881 5.458 10.037 1.00 0.00 C ATOM 1042 CD GLU A 69 5.858 5.732 8.892 1.00 0.00 C ATOM 1043 OE1 GLU A 69 5.368 5.893 7.754 1.00 0.00 O ATOM 1044 OE2 GLU A 69 7.073 5.774 9.181 1.00 0.00 O ATOM 0 H GLU A 69 2.033 3.346 8.248 1.00 0.00 H new ATOM 0 HA GLU A 69 4.791 3.272 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.244 5.275 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.838 4.809 10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.609 6.396 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.365 4.839 10.792 1.00 0.00 H new ATOM 1051 N GLU A 70 3.222 1.677 10.832 1.00 0.00 N ATOM 1052 CA GLU A 70 3.362 0.845 12.015 1.00 0.00 C ATOM 1053 C GLU A 70 4.249 -0.364 11.712 1.00 0.00 C ATOM 1054 O GLU A 70 4.557 -1.152 12.605 1.00 0.00 O ATOM 1055 CB GLU A 70 1.995 0.404 12.541 1.00 0.00 C ATOM 1056 CG GLU A 70 2.035 0.179 14.053 1.00 0.00 C ATOM 1057 CD GLU A 70 2.587 1.409 14.777 1.00 0.00 C ATOM 1058 OE1 GLU A 70 2.096 2.516 14.468 1.00 0.00 O ATOM 1059 OE2 GLU A 70 3.487 1.214 15.622 1.00 0.00 O ATOM 0 H GLU A 70 2.329 1.584 10.348 1.00 0.00 H new ATOM 0 HA GLU A 70 3.841 1.436 12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.248 1.161 12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.688 -0.515 12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.032 -0.042 14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.655 -0.689 14.279 1.00 0.00 H new ATOM 1066 N GLY A 71 4.634 -0.473 10.449 1.00 0.00 N ATOM 1067 CA GLY A 71 5.480 -1.573 10.017 1.00 0.00 C ATOM 1068 C GLY A 71 4.638 -2.780 9.600 1.00 0.00 C ATOM 1069 O GLY A 71 5.167 -3.874 9.408 1.00 0.00 O ATOM 0 H GLY A 71 4.376 0.182 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.101 -1.252 9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.154 -1.857 10.825 1.00 0.00 H new ATOM 1073 N LYS A 72 3.341 -2.541 9.472 1.00 0.00 N ATOM 1074 CA LYS A 72 2.420 -3.596 9.081 1.00 0.00 C ATOM 1075 C LYS A 72 2.062 -3.432 7.603 1.00 0.00 C ATOM 1076 O LYS A 72 1.577 -2.380 7.191 1.00 0.00 O ATOM 1077 CB LYS A 72 1.204 -3.617 10.010 1.00 0.00 C ATOM 1078 CG LYS A 72 0.274 -4.782 9.669 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.911 -4.839 10.635 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.894 -3.699 10.364 1.00 0.00 C ATOM 1081 NZ LYS A 72 -3.260 -4.231 10.158 1.00 0.00 N ATOM 0 H LYS A 72 2.906 -1.633 9.632 1.00 0.00 H new ATOM 0 HA LYS A 72 2.891 -4.573 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.534 -3.702 11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.660 -2.676 9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.090 -4.674 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.829 -5.719 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.422 -5.796 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.551 -4.777 11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.891 -3.002 11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.578 -3.140 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.915 -3.444 9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.261 -4.879 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.565 -4.744 11.010 1.00 0.00 H new ATOM 1095 N TYR A 73 2.316 -4.489 6.845 1.00 0.00 N ATOM 1096 CA TYR A 73 2.026 -4.476 5.421 1.00 0.00 C ATOM 1097 C TYR A 73 0.790 -5.320 5.105 1.00 0.00 C ATOM 1098 O TYR A 73 0.399 -6.176 5.898 1.00 0.00 O ATOM 1099 CB TYR A 73 3.244 -5.100 4.737 1.00 0.00 C ATOM 1100 CG TYR A 73 4.521 -4.266 4.858 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.051 -3.991 6.102 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.143 -3.788 3.722 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.253 -3.206 6.216 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.345 -3.003 3.836 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.840 -2.751 5.077 1.00 0.00 C ATOM 1106 OH TYR A 73 7.976 -2.010 5.184 1.00 0.00 O ATOM 0 H TYR A 73 2.719 -5.360 7.190 1.00 0.00 H new ATOM 0 HA TYR A 73 1.829 -3.460 5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.424 -6.085 5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.018 -5.249 3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.564 -4.365 6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.728 -4.003 2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.678 -2.984 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.842 -2.623 2.956 1.00 0.00 H new ATOM 0 HH TYR A 73 8.713 -2.583 5.482 1.00 0.00 H new ATOM 1116 N GLY A 74 0.209 -5.050 3.946 1.00 0.00 N ATOM 1117 CA GLY A 74 -0.975 -5.774 3.515 1.00 0.00 C ATOM 1118 C GLY A 74 -1.127 -5.720 1.994 1.00 0.00 C ATOM 1119 O GLY A 74 -0.565 -4.843 1.340 1.00 0.00 O ATOM 0 H GLY A 74 0.536 -4.339 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.910 -6.812 3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.859 -5.347 3.988 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.891 -6.670 1.474 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.125 -6.742 0.042 1.00 0.00 C ATOM 1125 C TYR A 75 -3.509 -6.198 -0.317 1.00 0.00 C ATOM 1126 O TYR A 75 -4.425 -6.234 0.503 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.064 -8.228 -0.321 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.655 -8.734 -0.634 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.196 -7.974 -1.410 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.234 -9.953 -0.140 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.522 -8.451 -1.704 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.092 -10.430 -0.435 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.905 -9.656 -1.202 1.00 0.00 C ATOM 1134 OH TYR A 75 3.158 -10.106 -1.480 1.00 0.00 O ATOM 0 H TYR A 75 -2.356 -7.396 2.019 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.387 -6.149 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.473 -8.810 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.704 -8.407 -1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.133 -7.021 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.899 -10.548 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.198 -7.865 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.433 -11.382 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 75 3.757 -9.885 -0.737 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.618 -5.707 -1.542 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.875 -5.156 -2.019 1.00 0.00 C ATOM 1146 C VAL A 76 -5.062 -5.525 -3.492 1.00 0.00 C ATOM 1147 O VAL A 76 -4.199 -5.241 -4.321 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.913 -3.647 -1.771 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.353 -3.133 -1.733 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.167 -3.284 -0.485 1.00 0.00 C ATOM 0 H VAL A 76 -2.856 -5.679 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.713 -5.583 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.405 -3.158 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.351 -2.058 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.839 -3.342 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.896 -3.632 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.209 -2.206 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.633 -3.789 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.127 -3.599 -0.567 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.195 -6.152 -3.773 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.507 -6.562 -5.131 1.00 0.00 C ATOM 1162 C LEU A 77 -6.895 -5.332 -5.955 1.00 0.00 C ATOM 1163 O LEU A 77 -7.543 -4.419 -5.445 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.571 -7.661 -5.128 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.379 -8.784 -6.150 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.681 -9.558 -6.365 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.811 -8.240 -7.462 1.00 0.00 C ATOM 0 H LEU A 77 -6.908 -6.386 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.630 -7.001 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.604 -8.104 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.543 -7.199 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.649 -9.488 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.517 -10.350 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.004 -9.996 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.451 -8.880 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.684 -9.058 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.498 -7.503 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.846 -7.770 -7.274 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.481 -5.347 -7.213 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.778 -4.245 -8.112 1.00 0.00 C ATOM 1181 C ARG A 78 -8.288 -4.013 -8.187 1.00 0.00 C ATOM 1182 O ARG A 78 -8.735 -2.930 -8.562 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.240 -4.520 -9.517 1.00 0.00 C ATOM 1184 CG ARG A 78 -6.986 -5.685 -10.172 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.447 -5.317 -11.583 1.00 0.00 C ATOM 1186 NE ARG A 78 -8.925 -5.333 -11.653 1.00 0.00 N ATOM 1187 CZ ARG A 78 -9.707 -4.263 -11.393 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -9.157 -3.081 -11.043 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -11.018 -4.391 -11.486 1.00 0.00 N ATOM 0 H ARG A 78 -5.942 -6.105 -7.631 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.290 -3.354 -7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.344 -3.626 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.176 -4.749 -9.464 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.337 -6.559 -10.214 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.848 -5.957 -9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.073 -4.329 -11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.033 -6.021 -12.305 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.382 -6.207 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.143 -2.991 -10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.755 -2.278 -10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.425 -5.288 -11.751 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.623 -3.593 -11.293 1.00 0.00 H new ATOM 1203 N SER A 79 -9.032 -5.048 -7.826 1.00 0.00 N ATOM 1204 CA SER A 79 -10.483 -4.970 -7.848 1.00 0.00 C ATOM 1205 C SER A 79 -10.951 -3.706 -7.124 1.00 0.00 C ATOM 1206 O SER A 79 -11.617 -2.858 -7.716 1.00 0.00 O ATOM 1207 CB SER A 79 -11.111 -6.210 -7.209 1.00 0.00 C ATOM 1208 OG SER A 79 -12.492 -6.019 -6.916 1.00 0.00 O ATOM 0 H SER A 79 -8.658 -5.945 -7.517 1.00 0.00 H new ATOM 0 HA SER A 79 -10.807 -4.926 -8.888 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.997 -7.061 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.576 -6.455 -6.291 1.00 0.00 H new ATOM 0 HG SER A 79 -12.856 -6.834 -6.511 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.583 -3.619 -5.854 1.00 0.00 N ATOM 1215 CA TYR A 80 -10.956 -2.472 -5.044 1.00 0.00 C ATOM 1216 C TYR A 80 -9.719 -1.692 -4.595 1.00 0.00 C ATOM 1217 O TYR A 80 -9.260 -1.846 -3.465 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.661 -3.040 -3.810 1.00 0.00 C ATOM 1219 CG TYR A 80 -10.933 -4.221 -3.166 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -9.942 -3.994 -2.233 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.268 -5.513 -3.517 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.256 -5.106 -1.626 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.583 -6.625 -2.910 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.611 -6.366 -1.995 1.00 0.00 C ATOM 1225 OH TYR A 80 -8.963 -7.416 -1.421 1.00 0.00 O ATOM 0 H TYR A 80 -10.030 -4.324 -5.366 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.589 -1.790 -5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.771 -2.247 -3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.666 -3.355 -4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.681 -2.983 -1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.044 -5.690 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.478 -4.943 -0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.835 -7.641 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 80 -9.320 -8.256 -1.778 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.216 -0.870 -5.505 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.041 -0.065 -5.217 1.00 0.00 C ATOM 1237 C LEU A 81 -7.887 1.009 -6.296 1.00 0.00 C ATOM 1238 O LEU A 81 -8.151 0.756 -7.471 1.00 0.00 O ATOM 1239 CB LEU A 81 -6.807 -0.955 -5.056 1.00 0.00 C ATOM 1240 CG LEU A 81 -5.453 -0.246 -5.130 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -4.962 -0.152 -6.575 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.516 1.125 -4.455 1.00 0.00 C ATOM 0 H LEU A 81 -9.600 -0.744 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.159 0.453 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.875 -1.466 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.835 -1.724 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.724 -0.842 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.998 0.356 -6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.854 -1.155 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.683 0.410 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.541 1.608 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.262 1.743 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.790 1.002 -3.407 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.461 2.185 -5.859 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.269 3.298 -6.773 1.00 0.00 C ATOM 1256 C ALA A 82 -6.359 2.858 -7.921 1.00 0.00 C ATOM 1257 O ALA A 82 -5.741 1.796 -7.857 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.704 4.496 -6.007 1.00 0.00 C ATOM 0 H ALA A 82 -7.243 2.391 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.220 3.607 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.560 5.331 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.401 4.787 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.748 4.224 -5.560 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.305 3.697 -8.946 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.480 3.408 -10.107 1.00 0.00 C ATOM 1266 C ASP A 83 -4.029 3.218 -9.662 1.00 0.00 C ATOM 1267 O ASP A 83 -3.688 3.488 -8.511 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.520 4.561 -11.111 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.598 4.443 -12.190 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -6.932 3.289 -12.535 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -7.065 5.509 -12.645 1.00 0.00 O ATOM 0 H ASP A 83 -6.819 4.577 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.867 2.505 -10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.674 5.492 -10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.547 4.633 -11.597 1.00 0.00 H new TER 1276 ASP A 83