USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 617 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 33 THR OG1 : rot 141:sc= 1.53 USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.0893 K(o=0.12,f=-0.72) USER MOD Set 2.2: A 25 TYR OH : rot -157:sc= 0.027 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 72:sc= 1.31 USER MOD Single : A 26 SER OG : rot 36:sc= 1.17 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 47 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 48 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0045) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 65 GLN : amide:sc= -1.77! C(o=-1.8!,f=-5.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.743 -12.236 1.359 1.00 0.00 N ATOM 67 CA PHE A 8 2.233 -10.869 1.463 1.00 0.00 C ATOM 68 C PHE A 8 1.067 -9.902 1.431 1.00 0.00 C ATOM 69 O PHE A 8 0.954 -9.040 2.300 1.00 0.00 O ATOM 70 CB PHE A 8 3.200 -10.583 0.305 1.00 0.00 C ATOM 71 CG PHE A 8 3.629 -9.137 0.228 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.546 -8.641 1.167 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.081 -8.273 -0.738 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.898 -7.284 1.150 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.461 -6.924 -0.774 1.00 0.00 C ATOM 76 CZ PHE A 8 4.354 -6.424 0.185 1.00 0.00 C ATOM 0 HA PHE A 8 2.764 -10.741 2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.084 -11.212 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.724 -10.864 -0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.980 -9.303 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.366 -8.650 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.591 -6.899 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.067 -6.271 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.622 -5.378 0.180 1.00 0.00 H new ATOM 86 N LYS A 9 0.178 -10.078 0.447 1.00 0.00 N ATOM 87 CA LYS A 9 -0.915 -9.150 0.252 1.00 0.00 C ATOM 88 C LYS A 9 -1.833 -9.131 1.480 1.00 0.00 C ATOM 89 O LYS A 9 -2.399 -8.074 1.747 1.00 0.00 O ATOM 90 CB LYS A 9 -1.666 -9.474 -1.062 1.00 0.00 C ATOM 91 CG LYS A 9 -2.538 -8.295 -1.528 1.00 0.00 C ATOM 92 CD LYS A 9 -3.272 -8.509 -2.853 1.00 0.00 C ATOM 93 CE LYS A 9 -3.929 -7.172 -3.226 1.00 0.00 C ATOM 94 NZ LYS A 9 -5.250 -7.339 -3.862 1.00 0.00 N ATOM 0 H LYS A 9 0.203 -10.852 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.519 -8.140 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.945 -9.723 -1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.293 -10.354 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.275 -8.081 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.906 -7.411 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.578 -8.827 -3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.023 -9.293 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.038 -6.564 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.272 -6.626 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.645 -6.405 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.147 -7.896 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.890 -7.835 -3.209 1.00 0.00 H new ATOM 108 N ALA A 10 -1.971 -10.224 2.243 1.00 0.00 N ATOM 109 CA ALA A 10 -2.773 -10.193 3.456 1.00 0.00 C ATOM 110 C ALA A 10 -2.092 -9.349 4.519 1.00 0.00 C ATOM 111 O ALA A 10 -2.679 -8.379 4.984 1.00 0.00 O ATOM 112 CB ALA A 10 -3.036 -11.594 3.992 1.00 0.00 C ATOM 0 H ALA A 10 -1.541 -11.126 2.039 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.734 -9.745 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.638 -11.530 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.571 -12.176 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.088 -12.080 4.220 1.00 0.00 H new ATOM 118 N GLU A 11 -0.864 -9.709 4.890 1.00 0.00 N ATOM 119 CA GLU A 11 -0.115 -9.014 5.929 1.00 0.00 C ATOM 120 C GLU A 11 -0.023 -7.524 5.617 1.00 0.00 C ATOM 121 O GLU A 11 -0.214 -6.698 6.505 1.00 0.00 O ATOM 122 CB GLU A 11 1.299 -9.587 6.012 1.00 0.00 C ATOM 123 CG GLU A 11 1.474 -10.790 6.932 1.00 0.00 C ATOM 124 CD GLU A 11 1.470 -10.397 8.417 1.00 0.00 C ATOM 125 OE1 GLU A 11 2.233 -9.473 8.803 1.00 0.00 O ATOM 126 OE2 GLU A 11 0.753 -11.037 9.220 1.00 0.00 O ATOM 0 H GLU A 11 -0.361 -10.494 4.475 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.634 -9.151 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.615 -9.872 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.972 -8.797 6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.673 -11.506 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.412 -11.292 6.694 1.00 0.00 H new ATOM 133 N LEU A 12 0.287 -7.177 4.366 1.00 0.00 N ATOM 134 CA LEU A 12 0.427 -5.796 3.949 1.00 0.00 C ATOM 135 C LEU A 12 -0.923 -5.079 4.012 1.00 0.00 C ATOM 136 O LEU A 12 -0.986 -3.953 4.492 1.00 0.00 O ATOM 137 CB LEU A 12 1.040 -5.736 2.545 1.00 0.00 C ATOM 138 CG LEU A 12 1.516 -4.303 2.215 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.875 -3.987 2.847 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.573 -4.090 0.707 1.00 0.00 C ATOM 0 H LEU A 12 0.447 -7.853 3.619 1.00 0.00 H new ATOM 0 HA LEU A 12 1.101 -5.278 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.880 -6.427 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.305 -6.059 1.808 1.00 0.00 H new ATOM 0 HG LEU A 12 0.787 -3.616 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.169 -2.970 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.803 -4.079 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.622 -4.687 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.910 -3.075 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.269 -4.803 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.581 -4.239 0.281 1.00 0.00 H new ATOM 152 N ASN A 13 -2.006 -5.717 3.551 1.00 0.00 N ATOM 153 CA ASN A 13 -3.359 -5.161 3.607 1.00 0.00 C ATOM 154 C ASN A 13 -3.712 -4.836 5.045 1.00 0.00 C ATOM 155 O ASN A 13 -4.107 -3.714 5.343 1.00 0.00 O ATOM 156 CB ASN A 13 -4.366 -6.155 3.018 1.00 0.00 C ATOM 157 CG ASN A 13 -5.800 -5.686 3.159 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.170 -4.651 2.622 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.638 -6.419 3.867 1.00 0.00 N ATOM 0 H ASN A 13 -1.965 -6.643 3.125 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.398 -4.246 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.141 -6.312 1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.252 -7.119 3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.609 -6.125 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.315 -7.280 4.309 1.00 0.00 H new ATOM 166 N GLU A 14 -3.538 -5.799 5.944 1.00 0.00 N ATOM 167 CA GLU A 14 -3.744 -5.608 7.376 1.00 0.00 C ATOM 168 C GLU A 14 -2.882 -4.457 7.907 1.00 0.00 C ATOM 169 O GLU A 14 -3.403 -3.549 8.558 1.00 0.00 O ATOM 170 CB GLU A 14 -3.465 -6.912 8.148 1.00 0.00 C ATOM 171 CG GLU A 14 -4.480 -8.032 7.885 1.00 0.00 C ATOM 172 CD GLU A 14 -5.928 -7.562 7.989 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.312 -7.035 9.057 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.657 -7.689 6.975 1.00 0.00 O ATOM 0 H GLU A 14 -3.247 -6.745 5.696 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.789 -5.341 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.470 -7.270 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.452 -6.693 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.308 -8.444 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.314 -8.840 8.598 1.00 0.00 H new ATOM 181 N PHE A 15 -1.571 -4.476 7.659 1.00 0.00 N ATOM 182 CA PHE A 15 -0.627 -3.462 8.126 1.00 0.00 C ATOM 183 C PHE A 15 -1.084 -2.051 7.722 1.00 0.00 C ATOM 184 O PHE A 15 -1.136 -1.152 8.563 1.00 0.00 O ATOM 185 CB PHE A 15 0.773 -3.807 7.589 1.00 0.00 C ATOM 186 CG PHE A 15 1.779 -2.681 7.687 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.499 -2.462 8.875 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.953 -1.811 6.595 1.00 0.00 C ATOM 189 CE1 PHE A 15 3.363 -1.356 8.976 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.808 -0.705 6.704 1.00 0.00 C ATOM 191 CZ PHE A 15 3.503 -0.468 7.898 1.00 0.00 C ATOM 0 H PHE A 15 -1.127 -5.215 7.115 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.588 -3.462 9.215 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.156 -4.668 8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.684 -4.107 6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.389 -3.141 9.708 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.427 -1.996 5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.920 -1.190 9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.931 -0.034 5.866 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.145 0.396 7.988 1.00 0.00 H new ATOM 201 N LEU A 16 -1.445 -1.874 6.451 1.00 0.00 N ATOM 202 CA LEU A 16 -1.926 -0.624 5.871 1.00 0.00 C ATOM 203 C LEU A 16 -3.296 -0.244 6.415 1.00 0.00 C ATOM 204 O LEU A 16 -3.514 0.939 6.647 1.00 0.00 O ATOM 205 CB LEU A 16 -2.089 -0.815 4.354 1.00 0.00 C ATOM 206 CG LEU A 16 -0.784 -0.941 3.557 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.110 -1.444 2.150 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.065 0.396 3.485 1.00 0.00 C ATOM 0 H LEU A 16 -1.408 -2.632 5.770 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.205 0.155 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.687 -1.710 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.655 0.028 3.959 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.124 -1.649 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.189 -1.537 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.597 -2.417 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.776 -0.737 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.857 0.283 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.707 1.128 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.171 0.737 4.493 1.00 0.00 H new ATOM 220 N THR A 17 -4.202 -1.211 6.625 1.00 0.00 N ATOM 221 CA THR A 17 -5.525 -0.965 7.206 1.00 0.00 C ATOM 222 C THR A 17 -5.331 -0.176 8.512 1.00 0.00 C ATOM 223 O THR A 17 -5.982 0.837 8.756 1.00 0.00 O ATOM 224 CB THR A 17 -6.274 -2.294 7.473 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.440 -3.097 6.312 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.661 -2.064 8.067 1.00 0.00 C ATOM 0 H THR A 17 -4.034 -2.190 6.394 1.00 0.00 H new ATOM 0 HA THR A 17 -6.134 -0.392 6.507 1.00 0.00 H new ATOM 0 HB THR A 17 -5.634 -2.819 8.182 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.577 -3.486 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.148 -3.024 8.237 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.568 -1.532 9.014 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.259 -1.471 7.375 1.00 0.00 H new ATOM 234 N ARG A 18 -4.392 -0.652 9.333 1.00 0.00 N ATOM 235 CA ARG A 18 -4.045 -0.065 10.615 1.00 0.00 C ATOM 236 C ARG A 18 -3.400 1.308 10.454 1.00 0.00 C ATOM 237 O ARG A 18 -3.750 2.228 11.189 1.00 0.00 O ATOM 238 CB ARG A 18 -3.116 -1.037 11.353 1.00 0.00 C ATOM 239 CG ARG A 18 -3.744 -1.619 12.617 1.00 0.00 C ATOM 240 CD ARG A 18 -2.713 -2.429 13.412 1.00 0.00 C ATOM 241 NE ARG A 18 -3.366 -3.173 14.496 1.00 0.00 N ATOM 242 CZ ARG A 18 -3.876 -4.404 14.459 1.00 0.00 C ATOM 243 NH1 ARG A 18 -3.614 -5.230 13.460 1.00 0.00 N ATOM 244 NH2 ARG A 18 -4.626 -4.833 15.464 1.00 0.00 N ATOM 0 H ARG A 18 -3.840 -1.481 9.111 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.952 0.094 11.198 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.844 -1.851 10.681 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.194 -0.520 11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.138 -0.814 13.237 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.587 -2.257 12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.196 -3.122 12.748 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.958 -1.761 13.826 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.439 -2.687 15.390 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.010 -4.930 12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.016 -6.167 13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.810 -4.222 16.260 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.019 -5.774 15.442 1.00 0.00 H new ATOM 258 N GLU A 19 -2.426 1.450 9.554 1.00 0.00 N ATOM 259 CA GLU A 19 -1.698 2.707 9.375 1.00 0.00 C ATOM 260 C GLU A 19 -2.533 3.791 8.662 1.00 0.00 C ATOM 261 O GLU A 19 -2.120 4.950 8.675 1.00 0.00 O ATOM 262 CB GLU A 19 -0.339 2.438 8.684 1.00 0.00 C ATOM 263 CG GLU A 19 0.843 2.304 9.672 1.00 0.00 C ATOM 264 CD GLU A 19 1.260 3.580 10.419 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.956 4.698 9.950 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.944 3.485 11.469 1.00 0.00 O ATOM 0 H GLU A 19 -2.121 0.702 8.932 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.496 3.122 10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.415 1.524 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.129 3.249 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.586 1.545 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.707 1.933 9.121 1.00 0.00 H new ATOM 273 N LEU A 20 -3.682 3.459 8.052 1.00 0.00 N ATOM 274 CA LEU A 20 -4.525 4.373 7.270 1.00 0.00 C ATOM 275 C LEU A 20 -5.970 4.424 7.747 1.00 0.00 C ATOM 276 O LEU A 20 -6.830 4.940 7.025 1.00 0.00 O ATOM 277 CB LEU A 20 -4.475 4.003 5.782 1.00 0.00 C ATOM 278 CG LEU A 20 -3.081 4.135 5.180 1.00 0.00 C ATOM 279 CD1 LEU A 20 -3.147 3.606 3.752 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.592 5.586 5.176 1.00 0.00 C ATOM 0 H LEU A 20 -4.062 2.513 8.092 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.113 5.371 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.823 2.978 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.164 4.643 5.231 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.374 3.566 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.164 3.685 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.459 2.562 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.866 4.192 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.595 5.633 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.275 6.199 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.557 5.961 6.199 1.00 0.00 H new ATOM 292 N ALA A 21 -6.232 3.922 8.953 1.00 0.00 N ATOM 293 CA ALA A 21 -7.568 3.757 9.499 1.00 0.00 C ATOM 294 C ALA A 21 -8.423 5.021 9.324 1.00 0.00 C ATOM 295 O ALA A 21 -9.554 4.935 8.840 1.00 0.00 O ATOM 296 CB ALA A 21 -7.434 3.372 10.976 1.00 0.00 C ATOM 0 H ALA A 21 -5.498 3.612 9.590 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.086 2.969 8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.426 3.242 11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.876 2.439 11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.905 4.160 11.511 1.00 0.00 H new ATOM 302 N GLU A 22 -7.908 6.193 9.697 1.00 0.00 N ATOM 303 CA GLU A 22 -8.618 7.458 9.540 1.00 0.00 C ATOM 304 C GLU A 22 -8.396 8.118 8.186 1.00 0.00 C ATOM 305 O GLU A 22 -9.274 8.853 7.734 1.00 0.00 O ATOM 306 CB GLU A 22 -8.154 8.429 10.617 1.00 0.00 C ATOM 307 CG GLU A 22 -8.720 8.050 11.984 1.00 0.00 C ATOM 308 CD GLU A 22 -9.312 9.258 12.689 1.00 0.00 C ATOM 309 OE1 GLU A 22 -8.570 10.215 13.020 1.00 0.00 O ATOM 310 OE2 GLU A 22 -10.551 9.277 12.832 1.00 0.00 O ATOM 0 H GLU A 22 -6.984 6.290 10.118 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.680 7.227 9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.065 8.435 10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.468 9.440 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.487 7.285 11.863 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.931 7.617 12.599 1.00 0.00 H new ATOM 317 N ASP A 23 -7.264 7.865 7.527 1.00 0.00 N ATOM 318 CA ASP A 23 -6.968 8.481 6.235 1.00 0.00 C ATOM 319 C ASP A 23 -8.007 8.075 5.208 1.00 0.00 C ATOM 320 O ASP A 23 -8.407 8.894 4.384 1.00 0.00 O ATOM 321 CB ASP A 23 -5.595 8.092 5.696 1.00 0.00 C ATOM 322 CG ASP A 23 -4.490 8.893 6.374 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.031 8.484 7.464 1.00 0.00 O ATOM 324 OD2 ASP A 23 -4.105 9.958 5.838 1.00 0.00 O ATOM 0 H ASP A 23 -6.537 7.237 7.868 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.982 9.558 6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.427 7.027 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.563 8.261 4.620 1.00 0.00 H new ATOM 329 N GLY A 24 -8.512 6.846 5.291 1.00 0.00 N ATOM 330 CA GLY A 24 -9.568 6.384 4.415 1.00 0.00 C ATOM 331 C GLY A 24 -9.021 5.346 3.473 1.00 0.00 C ATOM 332 O GLY A 24 -8.926 5.570 2.268 1.00 0.00 O ATOM 0 H GLY A 24 -8.197 6.150 5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.384 5.963 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.980 7.221 3.851 1.00 0.00 H new ATOM 336 N TYR A 25 -8.610 4.216 4.033 1.00 0.00 N ATOM 337 CA TYR A 25 -8.151 3.094 3.261 1.00 0.00 C ATOM 338 C TYR A 25 -9.315 2.481 2.470 1.00 0.00 C ATOM 339 O TYR A 25 -10.479 2.897 2.554 1.00 0.00 O ATOM 340 CB TYR A 25 -7.472 2.140 4.248 1.00 0.00 C ATOM 341 CG TYR A 25 -6.687 1.015 3.625 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.636 1.307 2.738 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.961 -0.312 3.987 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.867 0.270 2.186 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.160 -1.346 3.482 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.121 -1.058 2.578 1.00 0.00 C ATOM 347 OH TYR A 25 -4.348 -2.064 2.107 1.00 0.00 O ATOM 0 H TYR A 25 -8.590 4.062 5.041 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.424 3.371 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.802 2.719 4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.236 1.711 4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.419 2.333 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.783 -0.536 4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.090 0.489 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.341 -2.366 3.788 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.842 -2.909 2.160 1.00 0.00 H new ATOM 357 N SER A 26 -8.988 1.510 1.626 1.00 0.00 N ATOM 358 CA SER A 26 -9.925 0.778 0.794 1.00 0.00 C ATOM 359 C SER A 26 -9.317 -0.495 0.236 1.00 0.00 C ATOM 360 O SER A 26 -10.050 -1.411 -0.136 1.00 0.00 O ATOM 361 CB SER A 26 -10.304 1.658 -0.381 1.00 0.00 C ATOM 362 OG SER A 26 -11.346 2.524 0.003 1.00 0.00 O ATOM 0 H SER A 26 -8.024 1.202 1.500 1.00 0.00 H new ATOM 0 HA SER A 26 -10.785 0.513 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.440 2.234 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.619 1.043 -1.224 1.00 0.00 H new ATOM 0 HG SER A 26 -11.221 2.792 0.937 1.00 0.00 H new ATOM 368 N GLY A 27 -7.996 -0.552 0.130 1.00 0.00 N ATOM 369 CA GLY A 27 -7.282 -1.744 -0.259 1.00 0.00 C ATOM 370 C GLY A 27 -5.975 -1.347 -0.907 1.00 0.00 C ATOM 371 O GLY A 27 -5.479 -0.240 -0.700 1.00 0.00 O ATOM 0 H GLY A 27 -7.388 0.245 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.095 -2.372 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.882 -2.333 -0.953 1.00 0.00 H new ATOM 375 N VAL A 28 -5.375 -2.269 -1.647 1.00 0.00 N ATOM 376 CA VAL A 28 -4.028 -2.122 -2.161 1.00 0.00 C ATOM 377 C VAL A 28 -3.866 -3.122 -3.318 1.00 0.00 C ATOM 378 O VAL A 28 -4.544 -4.159 -3.347 1.00 0.00 O ATOM 379 CB VAL A 28 -3.054 -2.356 -0.981 1.00 0.00 C ATOM 380 CG1 VAL A 28 -3.321 -3.678 -0.246 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.577 -2.292 -1.371 1.00 0.00 C ATOM 0 H VAL A 28 -5.819 -3.149 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.814 -1.131 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.257 -1.523 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.609 -3.790 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.335 -3.674 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.209 -4.510 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.960 -2.466 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.365 -3.056 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.352 -1.308 -1.783 1.00 0.00 H new ATOM 391 N GLU A 29 -2.943 -2.854 -4.238 1.00 0.00 N ATOM 392 CA GLU A 29 -2.513 -3.757 -5.300 1.00 0.00 C ATOM 393 C GLU A 29 -0.988 -3.906 -5.229 1.00 0.00 C ATOM 394 O GLU A 29 -0.299 -3.096 -4.598 1.00 0.00 O ATOM 395 CB GLU A 29 -3.019 -3.247 -6.665 1.00 0.00 C ATOM 396 CG GLU A 29 -4.510 -3.594 -6.834 1.00 0.00 C ATOM 397 CD GLU A 29 -5.201 -2.963 -8.051 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.548 -2.354 -8.930 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.449 -3.075 -8.118 1.00 0.00 O ATOM 0 H GLU A 29 -2.452 -1.960 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.945 -4.749 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.877 -2.169 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.438 -3.698 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.607 -4.677 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.042 -3.284 -5.935 1.00 0.00 H new ATOM 406 N VAL A 30 -0.469 -4.975 -5.832 1.00 0.00 N ATOM 407 CA VAL A 30 0.929 -5.383 -5.800 1.00 0.00 C ATOM 408 C VAL A 30 1.299 -5.924 -7.170 1.00 0.00 C ATOM 409 O VAL A 30 0.537 -6.707 -7.742 1.00 0.00 O ATOM 410 CB VAL A 30 1.163 -6.420 -4.680 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.263 -7.668 -4.687 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.638 -6.842 -4.584 1.00 0.00 C ATOM 0 H VAL A 30 -1.045 -5.611 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 30 1.572 -4.532 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 30 0.865 -5.867 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.530 -8.314 -3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.780 -7.365 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.400 -8.210 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.756 -7.572 -3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.952 -7.286 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.253 -5.968 -4.372 1.00 0.00 H new ATOM 422 N ARG A 31 2.461 -5.529 -7.692 1.00 0.00 N ATOM 423 CA ARG A 31 2.974 -6.025 -8.964 1.00 0.00 C ATOM 424 C ARG A 31 4.427 -6.405 -8.744 1.00 0.00 C ATOM 425 O ARG A 31 5.219 -5.569 -8.309 1.00 0.00 O ATOM 426 CB ARG A 31 2.813 -4.964 -10.068 1.00 0.00 C ATOM 427 CG ARG A 31 1.337 -4.627 -10.329 1.00 0.00 C ATOM 428 CD ARG A 31 1.158 -3.480 -11.324 1.00 0.00 C ATOM 429 NE ARG A 31 -0.276 -3.202 -11.519 1.00 0.00 N ATOM 430 CZ ARG A 31 -0.844 -2.019 -11.774 1.00 0.00 C ATOM 431 NH1 ARG A 31 -0.104 -0.964 -12.099 1.00 0.00 N ATOM 432 NH2 ARG A 31 -2.167 -1.925 -11.706 1.00 0.00 N ATOM 0 H ARG A 31 3.074 -4.852 -7.239 1.00 0.00 H new ATOM 0 HA ARG A 31 2.413 -6.897 -9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.347 -4.058 -9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.271 -5.326 -10.989 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.828 -5.513 -10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.857 -4.363 -9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.664 -2.587 -10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.620 -3.739 -12.277 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.906 -4.002 -11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.911 -1.051 -12.156 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.551 -0.067 -12.291 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.725 -2.744 -11.464 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.625 -1.034 -11.896 1.00 0.00 H new ATOM 446 N VAL A 32 4.770 -7.659 -9.023 1.00 0.00 N ATOM 447 CA VAL A 32 6.122 -8.178 -8.900 1.00 0.00 C ATOM 448 C VAL A 32 6.611 -8.393 -10.328 1.00 0.00 C ATOM 449 O VAL A 32 6.331 -9.410 -10.974 1.00 0.00 O ATOM 450 CB VAL A 32 6.140 -9.414 -7.980 1.00 0.00 C ATOM 451 CG1 VAL A 32 7.521 -10.068 -7.942 1.00 0.00 C ATOM 452 CG2 VAL A 32 5.750 -9.026 -6.545 1.00 0.00 C ATOM 0 H VAL A 32 4.099 -8.355 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 32 6.816 -7.497 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 32 5.419 -10.122 -8.389 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.495 -10.936 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.802 -10.384 -8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.253 -9.351 -7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.769 -9.912 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.458 -8.291 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.747 -8.600 -6.543 1.00 0.00 H new ATOM 462 N THR A 33 7.273 -7.368 -10.849 1.00 0.00 N ATOM 463 CA THR A 33 7.877 -7.332 -12.170 1.00 0.00 C ATOM 464 C THR A 33 9.275 -7.976 -12.112 1.00 0.00 C ATOM 465 O THR A 33 9.733 -8.356 -11.027 1.00 0.00 O ATOM 466 CB THR A 33 7.936 -5.862 -12.614 1.00 0.00 C ATOM 467 OG1 THR A 33 8.840 -5.157 -11.798 1.00 0.00 O ATOM 468 CG2 THR A 33 6.570 -5.181 -12.564 1.00 0.00 C ATOM 0 H THR A 33 7.409 -6.498 -10.335 1.00 0.00 H new ATOM 0 HA THR A 33 7.292 -7.898 -12.895 1.00 0.00 H new ATOM 0 HB THR A 33 8.270 -5.851 -13.651 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.344 -4.518 -12.344 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.668 -4.145 -12.887 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.879 -5.704 -13.225 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.187 -5.208 -11.544 1.00 0.00 H new ATOM 476 N PRO A 34 9.995 -8.110 -13.239 1.00 0.00 N ATOM 477 CA PRO A 34 11.418 -8.426 -13.215 1.00 0.00 C ATOM 478 C PRO A 34 12.304 -7.217 -12.840 1.00 0.00 C ATOM 479 O PRO A 34 13.526 -7.347 -12.939 1.00 0.00 O ATOM 480 CB PRO A 34 11.723 -8.962 -14.618 1.00 0.00 C ATOM 481 CG PRO A 34 10.745 -8.204 -15.506 1.00 0.00 C ATOM 482 CD PRO A 34 9.520 -8.007 -14.615 1.00 0.00 C ATOM 0 HA PRO A 34 11.647 -9.157 -12.439 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.757 -8.771 -14.905 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.569 -10.039 -14.679 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.159 -7.250 -15.833 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.499 -8.770 -16.404 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.060 -7.036 -14.796 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.762 -8.763 -14.823 1.00 0.00 H new ATOM 490 N THR A 35 11.750 -6.053 -12.456 1.00 0.00 N ATOM 491 CA THR A 35 12.514 -4.812 -12.291 1.00 0.00 C ATOM 492 C THR A 35 12.503 -4.313 -10.837 1.00 0.00 C ATOM 493 O THR A 35 13.568 -4.190 -10.228 1.00 0.00 O ATOM 494 CB THR A 35 11.997 -3.746 -13.283 1.00 0.00 C ATOM 495 OG1 THR A 35 10.596 -3.555 -13.169 1.00 0.00 O ATOM 496 CG2 THR A 35 12.268 -4.119 -14.742 1.00 0.00 C ATOM 0 H THR A 35 10.756 -5.951 -12.252 1.00 0.00 H new ATOM 0 HA THR A 35 13.559 -5.016 -12.523 1.00 0.00 H new ATOM 0 HB THR A 35 12.538 -2.837 -13.020 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.306 -2.873 -13.810 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.884 -3.335 -15.395 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.342 -4.227 -14.897 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.772 -5.061 -14.975 1.00 0.00 H new ATOM 504 N ARG A 36 11.333 -4.056 -10.239 1.00 0.00 N ATOM 505 CA ARG A 36 11.167 -3.726 -8.820 1.00 0.00 C ATOM 506 C ARG A 36 9.707 -3.957 -8.449 1.00 0.00 C ATOM 507 O ARG A 36 8.827 -3.770 -9.295 1.00 0.00 O ATOM 508 CB ARG A 36 11.600 -2.277 -8.500 1.00 0.00 C ATOM 509 CG ARG A 36 10.705 -1.179 -9.099 1.00 0.00 C ATOM 510 CD ARG A 36 11.130 0.223 -8.658 1.00 0.00 C ATOM 511 NE ARG A 36 12.407 0.640 -9.258 1.00 0.00 N ATOM 512 CZ ARG A 36 12.853 1.899 -9.292 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.131 2.885 -8.765 1.00 0.00 N ATOM 514 NH2 ARG A 36 14.037 2.152 -9.834 1.00 0.00 N ATOM 0 H ARG A 36 10.448 -4.073 -10.747 1.00 0.00 H new ATOM 0 HA ARG A 36 11.815 -4.370 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.625 -2.153 -7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.618 -2.131 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.737 -1.240 -10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.671 -1.353 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.353 0.937 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.217 0.248 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 36 12.993 -0.082 -9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.230 2.682 -8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.478 3.844 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.595 1.390 -10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.389 3.109 -9.866 1.00 0.00 H new ATOM 528 N THR A 37 9.437 -4.324 -7.201 1.00 0.00 N ATOM 529 CA THR A 37 8.076 -4.518 -6.742 1.00 0.00 C ATOM 530 C THR A 37 7.410 -3.140 -6.650 1.00 0.00 C ATOM 531 O THR A 37 8.020 -2.179 -6.177 1.00 0.00 O ATOM 532 CB THR A 37 8.088 -5.277 -5.402 1.00 0.00 C ATOM 533 OG1 THR A 37 8.737 -6.535 -5.555 1.00 0.00 O ATOM 534 CG2 THR A 37 6.666 -5.542 -4.894 1.00 0.00 C ATOM 0 H THR A 37 10.149 -4.492 -6.490 1.00 0.00 H new ATOM 0 HA THR A 37 7.497 -5.128 -7.435 1.00 0.00 H new ATOM 0 HB THR A 37 8.620 -4.652 -4.685 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.740 -7.008 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.712 -6.079 -3.947 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.149 -4.594 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.124 -6.142 -5.625 1.00 0.00 H new ATOM 542 N GLU A 38 6.154 -3.055 -7.079 1.00 0.00 N ATOM 543 CA GLU A 38 5.298 -1.885 -6.965 1.00 0.00 C ATOM 544 C GLU A 38 4.219 -2.238 -5.943 1.00 0.00 C ATOM 545 O GLU A 38 3.658 -3.340 -5.976 1.00 0.00 O ATOM 546 CB GLU A 38 4.626 -1.595 -8.317 1.00 0.00 C ATOM 547 CG GLU A 38 5.566 -1.192 -9.458 1.00 0.00 C ATOM 548 CD GLU A 38 4.965 -1.482 -10.842 1.00 0.00 C ATOM 549 OE1 GLU A 38 3.931 -0.907 -11.248 1.00 0.00 O ATOM 550 OE2 GLU A 38 5.571 -2.306 -11.564 1.00 0.00 O ATOM 0 H GLU A 38 5.687 -3.838 -7.536 1.00 0.00 H new ATOM 0 HA GLU A 38 5.872 -1.008 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.073 -2.483 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.896 -0.798 -8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.794 -0.129 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.509 -1.728 -9.355 1.00 0.00 H new ATOM 557 N ILE A 39 3.920 -1.290 -5.060 1.00 0.00 N ATOM 558 CA ILE A 39 2.891 -1.362 -4.035 1.00 0.00 C ATOM 559 C ILE A 39 2.031 -0.127 -4.255 1.00 0.00 C ATOM 560 O ILE A 39 2.563 0.977 -4.224 1.00 0.00 O ATOM 561 CB ILE A 39 3.558 -1.385 -2.634 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.298 -2.723 -2.394 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.548 -1.041 -1.522 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.100 -2.763 -1.088 1.00 0.00 C ATOM 0 H ILE A 39 4.420 -0.401 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 39 2.282 -2.264 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 39 4.316 -0.603 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.569 -3.534 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.973 -2.909 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.049 -1.067 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.143 -0.044 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.737 -1.769 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.590 -3.732 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.853 -1.975 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.428 -2.610 -0.244 1.00 0.00 H new ATOM 576 N ILE A 40 0.729 -0.286 -4.485 1.00 0.00 N ATOM 577 CA ILE A 40 -0.164 0.831 -4.746 1.00 0.00 C ATOM 578 C ILE A 40 -1.312 0.737 -3.751 1.00 0.00 C ATOM 579 O ILE A 40 -2.183 -0.118 -3.895 1.00 0.00 O ATOM 580 CB ILE A 40 -0.638 0.843 -6.216 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.506 0.816 -7.259 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.463 2.125 -6.442 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.022 -0.571 -7.650 1.00 0.00 C ATOM 0 H ILE A 40 0.267 -1.195 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 40 0.352 1.781 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.215 -0.069 -6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.161 1.322 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.342 1.396 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.810 2.157 -7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.322 2.128 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.842 2.998 -6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.820 -0.468 -8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.406 -1.079 -6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.207 -1.155 -8.078 1.00 0.00 H new ATOM 595 N ILE A 41 -1.301 1.577 -2.717 1.00 0.00 N ATOM 596 CA ILE A 41 -2.429 1.753 -1.815 1.00 0.00 C ATOM 597 C ILE A 41 -3.575 2.354 -2.632 1.00 0.00 C ATOM 598 O ILE A 41 -3.358 3.208 -3.490 1.00 0.00 O ATOM 599 CB ILE A 41 -2.001 2.668 -0.645 1.00 0.00 C ATOM 600 CG1 ILE A 41 -1.130 1.888 0.359 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.236 3.184 0.115 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.227 1.380 -0.140 1.00 0.00 C ATOM 0 H ILE A 41 -0.497 2.160 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.760 0.809 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.440 3.501 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.954 2.529 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.704 1.030 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.916 3.827 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.870 3.752 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.797 2.339 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.735 0.850 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.075 0.704 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.837 2.225 -0.459 1.00 0.00 H new ATOM 614 N LEU A 42 -4.799 1.968 -2.295 1.00 0.00 N ATOM 615 CA LEU A 42 -6.039 2.498 -2.819 1.00 0.00 C ATOM 616 C LEU A 42 -6.722 3.161 -1.622 1.00 0.00 C ATOM 617 O LEU A 42 -7.066 2.462 -0.662 1.00 0.00 O ATOM 618 CB LEU A 42 -6.866 1.343 -3.417 1.00 0.00 C ATOM 619 CG LEU A 42 -6.136 0.522 -4.501 1.00 0.00 C ATOM 620 CD1 LEU A 42 -6.960 -0.705 -4.900 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.828 1.365 -5.740 1.00 0.00 C ATOM 0 H LEU A 42 -4.955 1.232 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.905 3.222 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.164 0.672 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.781 1.753 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.190 0.193 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.426 -1.269 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.117 -1.338 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.924 -0.383 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.314 0.751 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.759 1.741 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.191 2.204 -5.460 1.00 0.00 H new ATOM 633 N ALA A 43 -6.840 4.494 -1.625 1.00 0.00 N ATOM 634 CA ALA A 43 -7.418 5.257 -0.511 1.00 0.00 C ATOM 635 C ALA A 43 -8.275 6.429 -1.015 1.00 0.00 C ATOM 636 O ALA A 43 -8.201 6.798 -2.186 1.00 0.00 O ATOM 637 CB ALA A 43 -6.282 5.737 0.410 1.00 0.00 C ATOM 0 H ALA A 43 -6.536 5.077 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.087 4.611 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.702 6.305 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.739 4.875 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.599 6.372 -0.155 1.00 0.00 H new ATOM 643 N THR A 44 -9.094 7.038 -0.156 1.00 0.00 N ATOM 644 CA THR A 44 -9.989 8.131 -0.542 1.00 0.00 C ATOM 645 C THR A 44 -9.323 9.506 -0.505 1.00 0.00 C ATOM 646 O THR A 44 -9.822 10.428 -1.152 1.00 0.00 O ATOM 647 CB THR A 44 -11.237 8.117 0.357 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.903 7.938 1.712 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.190 6.984 -0.010 1.00 0.00 C ATOM 0 H THR A 44 -9.156 6.786 0.831 1.00 0.00 H new ATOM 0 HA THR A 44 -10.270 7.959 -1.581 1.00 0.00 H new ATOM 0 HB THR A 44 -11.714 9.085 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.720 7.936 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.058 7.011 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.516 7.103 -1.043 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.679 6.028 0.102 1.00 0.00 H new ATOM 657 N ARG A 45 -8.230 9.673 0.245 1.00 0.00 N ATOM 658 CA ARG A 45 -7.682 10.984 0.593 1.00 0.00 C ATOM 659 C ARG A 45 -6.178 10.991 0.320 1.00 0.00 C ATOM 660 O ARG A 45 -5.388 11.177 1.241 1.00 0.00 O ATOM 661 CB ARG A 45 -8.046 11.322 2.060 1.00 0.00 C ATOM 662 CG ARG A 45 -9.551 11.181 2.369 1.00 0.00 C ATOM 663 CD ARG A 45 -9.945 11.581 3.803 1.00 0.00 C ATOM 664 NE ARG A 45 -9.839 13.019 4.079 1.00 0.00 N ATOM 665 CZ ARG A 45 -10.611 13.965 3.532 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.595 13.666 2.692 1.00 0.00 N ATOM 667 NH2 ARG A 45 -10.379 15.246 3.781 1.00 0.00 N ATOM 0 H ARG A 45 -7.697 8.894 0.631 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.118 11.769 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.484 10.667 2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.733 12.343 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.113 11.795 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.849 10.147 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.971 11.262 3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.311 11.040 4.506 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.122 13.320 4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.779 12.693 2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.167 14.409 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.608 15.515 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.971 15.963 3.361 1.00 0.00 H new ATOM 681 N THR A 46 -5.755 10.746 -0.919 1.00 0.00 N ATOM 682 CA THR A 46 -4.372 10.415 -1.249 1.00 0.00 C ATOM 683 C THR A 46 -3.359 11.468 -0.791 1.00 0.00 C ATOM 684 O THR A 46 -2.295 11.095 -0.302 1.00 0.00 O ATOM 685 CB THR A 46 -4.238 10.107 -2.747 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.955 11.032 -3.545 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.797 8.719 -3.054 1.00 0.00 C ATOM 0 H THR A 46 -6.372 10.772 -1.731 1.00 0.00 H new ATOM 0 HA THR A 46 -4.122 9.518 -0.683 1.00 0.00 H new ATOM 0 HB THR A 46 -3.175 10.168 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.843 10.803 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.696 8.513 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.245 7.970 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.850 8.681 -2.776 1.00 0.00 H new ATOM 695 N GLN A 47 -3.666 12.766 -0.857 1.00 0.00 N ATOM 696 CA GLN A 47 -2.718 13.785 -0.413 1.00 0.00 C ATOM 697 C GLN A 47 -2.457 13.641 1.085 1.00 0.00 C ATOM 698 O GLN A 47 -1.326 13.846 1.534 1.00 0.00 O ATOM 699 CB GLN A 47 -3.264 15.180 -0.730 1.00 0.00 C ATOM 700 CG GLN A 47 -2.337 16.348 -0.363 1.00 0.00 C ATOM 701 CD GLN A 47 -1.144 16.490 -1.299 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.115 17.375 -2.146 1.00 0.00 O ATOM 703 NE2 GLN A 47 -0.118 15.663 -1.161 1.00 0.00 N ATOM 0 H GLN A 47 -4.551 13.130 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.775 13.650 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.482 15.233 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.210 15.310 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.911 17.275 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.976 16.209 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.147 14.928 -0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.701 15.761 -1.761 1.00 0.00 H new ATOM 712 N ASN A 48 -3.501 13.292 1.843 1.00 0.00 N ATOM 713 CA ASN A 48 -3.451 13.083 3.283 1.00 0.00 C ATOM 714 C ASN A 48 -2.436 11.988 3.591 1.00 0.00 C ATOM 715 O ASN A 48 -1.524 12.208 4.386 1.00 0.00 O ATOM 716 CB ASN A 48 -4.850 12.712 3.805 1.00 0.00 C ATOM 717 CG ASN A 48 -5.093 13.333 5.164 1.00 0.00 C ATOM 718 OD1 ASN A 48 -5.535 14.481 5.217 1.00 0.00 O ATOM 719 ND2 ASN A 48 -4.828 12.618 6.238 1.00 0.00 N ATOM 0 H ASN A 48 -4.432 13.144 1.453 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.139 13.999 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.609 13.054 3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.943 11.628 3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.988 13.012 7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.463 11.670 6.143 1.00 0.00 H new ATOM 726 N VAL A 49 -2.565 10.872 2.867 1.00 0.00 N ATOM 727 CA VAL A 49 -1.714 9.692 2.926 1.00 0.00 C ATOM 728 C VAL A 49 -0.268 10.040 2.546 1.00 0.00 C ATOM 729 O VAL A 49 0.665 9.589 3.204 1.00 0.00 O ATOM 730 CB VAL A 49 -2.303 8.611 1.987 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.511 7.311 2.051 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.760 8.256 2.311 1.00 0.00 C ATOM 0 H VAL A 49 -3.315 10.768 2.183 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.688 9.306 3.945 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.246 9.057 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.957 6.579 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.480 7.498 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.528 6.924 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.112 7.493 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.824 7.876 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.381 9.147 2.217 1.00 0.00 H new ATOM 742 N LEU A 50 -0.055 10.819 1.477 1.00 0.00 N ATOM 743 CA LEU A 50 1.291 11.180 1.025 1.00 0.00 C ATOM 744 C LEU A 50 2.008 11.999 2.096 1.00 0.00 C ATOM 745 O LEU A 50 3.203 11.816 2.317 1.00 0.00 O ATOM 746 CB LEU A 50 1.245 11.973 -0.297 1.00 0.00 C ATOM 747 CG LEU A 50 0.849 11.126 -1.524 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.515 12.038 -2.707 1.00 0.00 C ATOM 749 CD2 LEU A 50 1.974 10.175 -1.939 1.00 0.00 C ATOM 0 H LEU A 50 -0.804 11.212 0.908 1.00 0.00 H new ATOM 0 HA LEU A 50 1.842 10.256 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.536 12.794 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.224 12.418 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.023 10.536 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.237 11.430 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.316 12.691 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.386 12.644 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.659 9.595 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.863 10.752 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.202 9.500 -1.114 1.00 0.00 H new ATOM 761 N GLY A 51 1.296 12.899 2.771 1.00 0.00 N ATOM 762 CA GLY A 51 1.885 13.811 3.733 1.00 0.00 C ATOM 763 C GLY A 51 2.632 14.963 3.050 1.00 0.00 C ATOM 764 O GLY A 51 2.731 15.049 1.819 1.00 0.00 O ATOM 0 H GLY A 51 0.288 13.012 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.102 14.216 4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.573 13.264 4.377 1.00 0.00 H new ATOM 768 N GLU A 52 3.209 15.828 3.882 1.00 0.00 N ATOM 769 CA GLU A 52 3.987 17.009 3.530 1.00 0.00 C ATOM 770 C GLU A 52 5.159 16.640 2.622 1.00 0.00 C ATOM 771 O GLU A 52 6.118 16.014 3.075 1.00 0.00 O ATOM 772 CB GLU A 52 4.468 17.675 4.828 1.00 0.00 C ATOM 773 CG GLU A 52 5.342 18.909 4.555 1.00 0.00 C ATOM 774 CD GLU A 52 5.620 19.667 5.848 1.00 0.00 C ATOM 775 OE1 GLU A 52 4.797 20.546 6.196 1.00 0.00 O ATOM 776 OE2 GLU A 52 6.641 19.377 6.508 1.00 0.00 O ATOM 0 H GLU A 52 3.138 15.711 4.893 1.00 0.00 H new ATOM 0 HA GLU A 52 3.367 17.710 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.605 17.968 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.034 16.953 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.283 18.601 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.842 19.565 3.843 1.00 0.00 H new ATOM 783 N LYS A 53 5.089 17.023 1.345 1.00 0.00 N ATOM 784 CA LYS A 53 6.049 16.676 0.296 1.00 0.00 C ATOM 785 C LYS A 53 6.435 15.202 0.385 1.00 0.00 C ATOM 786 O LYS A 53 7.620 14.868 0.457 1.00 0.00 O ATOM 787 CB LYS A 53 7.268 17.617 0.292 1.00 0.00 C ATOM 788 CG LYS A 53 6.887 19.100 0.387 1.00 0.00 C ATOM 789 CD LYS A 53 8.025 20.034 -0.045 1.00 0.00 C ATOM 790 CE LYS A 53 8.040 20.203 -1.568 1.00 0.00 C ATOM 791 NZ LYS A 53 8.989 21.243 -2.013 1.00 0.00 N ATOM 0 H LYS A 53 4.329 17.609 1.000 1.00 0.00 H new ATOM 0 HA LYS A 53 5.564 16.823 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.919 17.361 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.842 17.454 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.013 19.287 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.602 19.332 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.905 21.006 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.980 19.630 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.303 19.253 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.038 20.459 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.961 21.318 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.725 22.157 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.951 20.988 -1.710 1.00 0.00 H new ATOM 805 N GLY A 54 5.424 14.335 0.450 1.00 0.00 N ATOM 806 CA GLY A 54 5.636 12.905 0.518 1.00 0.00 C ATOM 807 C GLY A 54 6.218 12.452 1.863 1.00 0.00 C ATOM 808 O GLY A 54 7.059 11.557 1.886 1.00 0.00 O ATOM 0 H GLY A 54 4.442 14.612 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.689 12.394 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.310 12.604 -0.284 1.00 0.00 H new ATOM 812 N ARG A 55 5.804 13.052 2.985 1.00 0.00 N ATOM 813 CA ARG A 55 6.257 12.666 4.324 1.00 0.00 C ATOM 814 C ARG A 55 5.872 11.231 4.676 1.00 0.00 C ATOM 815 O ARG A 55 6.759 10.392 4.826 1.00 0.00 O ATOM 816 CB ARG A 55 5.752 13.663 5.391 1.00 0.00 C ATOM 817 CG ARG A 55 6.919 14.278 6.162 1.00 0.00 C ATOM 818 CD ARG A 55 7.547 13.295 7.156 1.00 0.00 C ATOM 819 NE ARG A 55 8.737 13.888 7.778 1.00 0.00 N ATOM 820 CZ ARG A 55 9.052 13.861 9.079 1.00 0.00 C ATOM 821 NH1 ARG A 55 8.343 13.176 9.972 1.00 0.00 N ATOM 822 NH2 ARG A 55 10.102 14.551 9.505 1.00 0.00 N ATOM 0 H ARG A 55 5.139 13.826 2.988 1.00 0.00 H new ATOM 0 HA ARG A 55 7.346 12.704 4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.172 14.452 4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.083 13.152 6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.680 14.613 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.571 15.160 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.820 13.031 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.818 12.372 6.643 1.00 0.00 H new ATOM 0 HE ARG A 55 9.389 14.368 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.525 12.645 9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.618 13.182 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.658 15.093 8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.353 14.539 10.494 1.00 0.00 H new ATOM 836 N ARG A 56 4.572 10.954 4.835 1.00 0.00 N ATOM 837 CA ARG A 56 4.108 9.661 5.329 1.00 0.00 C ATOM 838 C ARG A 56 4.490 8.555 4.357 1.00 0.00 C ATOM 839 O ARG A 56 4.904 7.496 4.809 1.00 0.00 O ATOM 840 CB ARG A 56 2.597 9.680 5.657 1.00 0.00 C ATOM 841 CG ARG A 56 2.291 9.844 7.161 1.00 0.00 C ATOM 842 CD ARG A 56 2.113 11.302 7.620 1.00 0.00 C ATOM 843 NE ARG A 56 0.723 11.747 7.415 1.00 0.00 N ATOM 844 CZ ARG A 56 0.119 12.823 7.929 1.00 0.00 C ATOM 845 NH1 ARG A 56 0.783 13.768 8.596 1.00 0.00 N ATOM 846 NH2 ARG A 56 -1.181 12.964 7.732 1.00 0.00 N ATOM 0 H ARG A 56 3.823 11.614 4.626 1.00 0.00 H new ATOM 0 HA ARG A 56 4.611 9.450 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.125 10.495 5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.145 8.754 5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.383 9.289 7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.100 9.392 7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.377 11.391 8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.793 11.949 7.065 1.00 0.00 H new ATOM 0 HE ARG A 56 0.151 11.162 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.791 13.685 8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.283 14.574 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.695 12.262 7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.669 13.775 8.112 1.00 0.00 H new ATOM 860 N ILE A 57 4.453 8.801 3.046 1.00 0.00 N ATOM 861 CA ILE A 57 4.933 7.833 2.061 1.00 0.00 C ATOM 862 C ILE A 57 6.411 7.456 2.295 1.00 0.00 C ATOM 863 O ILE A 57 6.744 6.269 2.278 1.00 0.00 O ATOM 864 CB ILE A 57 4.577 8.295 0.640 1.00 0.00 C ATOM 865 CG1 ILE A 57 5.011 7.269 -0.414 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.143 9.671 0.286 1.00 0.00 C ATOM 867 CD1 ILE A 57 4.138 7.378 -1.662 1.00 0.00 C ATOM 0 H ILE A 57 4.094 9.666 2.642 1.00 0.00 H new ATOM 0 HA ILE A 57 4.409 6.886 2.192 1.00 0.00 H new ATOM 0 HB ILE A 57 3.490 8.381 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.056 7.432 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.940 6.263 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.853 9.933 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.750 10.415 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.230 9.647 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.462 6.642 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.098 7.192 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.231 8.378 -2.085 1.00 0.00 H new ATOM 879 N ARG A 58 7.307 8.422 2.555 1.00 0.00 N ATOM 880 CA ARG A 58 8.705 8.127 2.864 1.00 0.00 C ATOM 881 C ARG A 58 8.820 7.321 4.153 1.00 0.00 C ATOM 882 O ARG A 58 9.506 6.299 4.189 1.00 0.00 O ATOM 883 CB ARG A 58 9.517 9.431 2.977 1.00 0.00 C ATOM 884 CG ARG A 58 10.926 9.198 2.434 1.00 0.00 C ATOM 885 CD ARG A 58 11.920 10.291 2.844 1.00 0.00 C ATOM 886 NE ARG A 58 11.601 11.596 2.239 1.00 0.00 N ATOM 887 CZ ARG A 58 11.180 12.708 2.855 1.00 0.00 C ATOM 888 NH1 ARG A 58 10.975 12.759 4.167 1.00 0.00 N ATOM 889 NH2 ARG A 58 10.949 13.796 2.133 1.00 0.00 N ATOM 0 H ARG A 58 7.081 9.417 2.556 1.00 0.00 H new ATOM 0 HA ARG A 58 9.112 7.528 2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.027 10.228 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.565 9.754 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.290 8.234 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.885 9.143 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.922 10.388 3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.926 9.993 2.549 1.00 0.00 H new ATOM 0 HE ARG A 58 11.715 11.660 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.139 11.932 4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.654 13.625 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.092 13.778 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.628 14.651 2.587 1.00 0.00 H new ATOM 903 N GLU A 59 8.158 7.772 5.217 1.00 0.00 N ATOM 904 CA GLU A 59 8.191 7.112 6.514 1.00 0.00 C ATOM 905 C GLU A 59 7.763 5.653 6.370 1.00 0.00 C ATOM 906 O GLU A 59 8.460 4.738 6.809 1.00 0.00 O ATOM 907 CB GLU A 59 7.263 7.858 7.487 1.00 0.00 C ATOM 908 CG GLU A 59 7.997 8.847 8.402 1.00 0.00 C ATOM 909 CD GLU A 59 7.531 8.718 9.857 1.00 0.00 C ATOM 910 OE1 GLU A 59 6.317 8.881 10.130 1.00 0.00 O ATOM 911 OE2 GLU A 59 8.382 8.455 10.735 1.00 0.00 O ATOM 0 H GLU A 59 7.580 8.612 5.200 1.00 0.00 H new ATOM 0 HA GLU A 59 9.207 7.131 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.509 8.397 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.735 7.130 8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.071 8.668 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.824 9.865 8.052 1.00 0.00 H new ATOM 918 N LEU A 60 6.615 5.435 5.734 1.00 0.00 N ATOM 919 CA LEU A 60 6.039 4.116 5.571 1.00 0.00 C ATOM 920 C LEU A 60 6.865 3.244 4.651 1.00 0.00 C ATOM 921 O LEU A 60 6.914 2.043 4.898 1.00 0.00 O ATOM 922 CB LEU A 60 4.602 4.209 5.092 1.00 0.00 C ATOM 923 CG LEU A 60 3.674 4.773 6.190 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.340 5.015 5.509 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.525 3.822 7.400 1.00 0.00 C ATOM 0 H LEU A 60 6.058 6.180 5.316 1.00 0.00 H new ATOM 0 HA LEU A 60 6.043 3.638 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.552 4.847 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.253 3.221 4.791 1.00 0.00 H new ATOM 0 HG LEU A 60 4.092 5.688 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.630 5.417 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.471 5.727 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.959 4.075 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.861 4.273 8.138 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.106 2.873 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.503 3.649 7.849 1.00 0.00 H new ATOM 937 N THR A 61 7.571 3.803 3.667 1.00 0.00 N ATOM 938 CA THR A 61 8.516 3.026 2.879 1.00 0.00 C ATOM 939 C THR A 61 9.563 2.374 3.793 1.00 0.00 C ATOM 940 O THR A 61 9.919 1.224 3.550 1.00 0.00 O ATOM 941 CB THR A 61 9.125 3.895 1.762 1.00 0.00 C ATOM 942 OG1 THR A 61 8.085 4.359 0.914 1.00 0.00 O ATOM 943 CG2 THR A 61 10.159 3.128 0.924 1.00 0.00 C ATOM 0 H THR A 61 7.504 4.785 3.401 1.00 0.00 H new ATOM 0 HA THR A 61 7.996 2.209 2.379 1.00 0.00 H new ATOM 0 HB THR A 61 9.641 4.730 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.582 5.066 1.370 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.559 3.784 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.971 2.790 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.682 2.266 0.458 1.00 0.00 H new ATOM 951 N ALA A 62 10.022 3.039 4.861 1.00 0.00 N ATOM 952 CA ALA A 62 10.971 2.458 5.807 1.00 0.00 C ATOM 953 C ALA A 62 10.302 1.411 6.692 1.00 0.00 C ATOM 954 O ALA A 62 10.826 0.302 6.803 1.00 0.00 O ATOM 955 CB ALA A 62 11.589 3.556 6.674 1.00 0.00 C ATOM 0 H ALA A 62 9.744 3.993 5.089 1.00 0.00 H new ATOM 0 HA ALA A 62 11.756 1.965 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.295 3.112 7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.111 4.271 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.802 4.069 7.227 1.00 0.00 H new ATOM 961 N VAL A 63 9.173 1.724 7.341 1.00 0.00 N ATOM 962 CA VAL A 63 8.532 0.730 8.202 1.00 0.00 C ATOM 963 C VAL A 63 8.116 -0.496 7.375 1.00 0.00 C ATOM 964 O VAL A 63 8.408 -1.599 7.813 1.00 0.00 O ATOM 965 CB VAL A 63 7.446 1.319 9.133 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.476 2.274 8.471 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.620 0.232 9.816 1.00 0.00 C ATOM 0 H VAL A 63 8.700 2.626 7.289 1.00 0.00 H new ATOM 0 HA VAL A 63 9.266 0.370 8.923 1.00 0.00 H new ATOM 0 HB VAL A 63 8.033 1.884 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.756 2.630 9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.024 3.122 8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.949 1.759 7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.871 0.694 10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.124 -0.377 9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.275 -0.399 10.417 1.00 0.00 H new ATOM 977 N VAL A 64 7.551 -0.361 6.170 1.00 0.00 N ATOM 978 CA VAL A 64 7.270 -1.492 5.278 1.00 0.00 C ATOM 979 C VAL A 64 8.561 -2.257 4.989 1.00 0.00 C ATOM 980 O VAL A 64 8.584 -3.481 5.124 1.00 0.00 O ATOM 981 CB VAL A 64 6.567 -1.013 3.985 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.547 -2.063 2.861 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.117 -0.632 4.313 1.00 0.00 C ATOM 0 H VAL A 64 7.274 0.542 5.784 1.00 0.00 H new ATOM 0 HA VAL A 64 6.581 -2.178 5.771 1.00 0.00 H new ATOM 0 HB VAL A 64 7.143 -0.162 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.038 -1.653 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.570 -2.328 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.019 -2.953 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.616 -0.294 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.594 -1.500 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.110 0.169 5.052 1.00 0.00 H new ATOM 993 N GLN A 65 9.643 -1.560 4.636 1.00 0.00 N ATOM 994 CA GLN A 65 10.932 -2.186 4.391 1.00 0.00 C ATOM 995 C GLN A 65 11.377 -3.059 5.573 1.00 0.00 C ATOM 996 O GLN A 65 11.925 -4.134 5.351 1.00 0.00 O ATOM 997 CB GLN A 65 11.976 -1.114 4.061 1.00 0.00 C ATOM 998 CG GLN A 65 12.159 -0.895 2.562 1.00 0.00 C ATOM 999 CD GLN A 65 13.389 -0.051 2.340 1.00 0.00 C ATOM 1000 OE1 GLN A 65 14.452 -0.560 2.017 1.00 0.00 O ATOM 1001 NE2 GLN A 65 13.273 1.244 2.559 1.00 0.00 N ATOM 0 H GLN A 65 9.644 -0.547 4.514 1.00 0.00 H new ATOM 0 HA GLN A 65 10.832 -2.852 3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.681 -0.173 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.932 -1.400 4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.261 -1.852 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.282 -0.401 2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.371 1.637 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.085 1.853 2.460 1.00 0.00 H new ATOM 1010 N LYS A 66 11.114 -2.654 6.817 1.00 0.00 N ATOM 1011 CA LYS A 66 11.532 -3.389 8.016 1.00 0.00 C ATOM 1012 C LYS A 66 10.518 -4.480 8.377 1.00 0.00 C ATOM 1013 O LYS A 66 10.903 -5.582 8.758 1.00 0.00 O ATOM 1014 CB LYS A 66 11.734 -2.387 9.166 1.00 0.00 C ATOM 1015 CG LYS A 66 12.884 -1.398 8.862 1.00 0.00 C ATOM 1016 CD LYS A 66 12.653 0.009 9.430 1.00 0.00 C ATOM 1017 CE LYS A 66 13.370 0.238 10.761 1.00 0.00 C ATOM 1018 NZ LYS A 66 12.964 1.529 11.349 1.00 0.00 N ATOM 0 H LYS A 66 10.600 -1.798 7.024 1.00 0.00 H new ATOM 0 HA LYS A 66 12.476 -3.899 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.811 -1.832 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.952 -2.928 10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.812 -1.797 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.015 -1.327 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.996 0.748 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.584 0.169 9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.136 -0.573 11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.449 0.225 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.459 1.670 12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.209 2.300 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.937 1.528 11.514 1.00 0.00 H new ATOM 1032 N ARG A 67 9.218 -4.212 8.232 1.00 0.00 N ATOM 1033 CA ARG A 67 8.134 -5.162 8.491 1.00 0.00 C ATOM 1034 C ARG A 67 8.235 -6.360 7.547 1.00 0.00 C ATOM 1035 O ARG A 67 7.917 -7.472 7.958 1.00 0.00 O ATOM 1036 CB ARG A 67 6.778 -4.440 8.344 1.00 0.00 C ATOM 1037 CG ARG A 67 5.626 -4.922 9.243 1.00 0.00 C ATOM 1038 CD ARG A 67 5.164 -6.367 8.997 1.00 0.00 C ATOM 1039 NE ARG A 67 5.794 -7.316 9.932 1.00 0.00 N ATOM 1040 CZ ARG A 67 5.469 -7.499 11.222 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.370 -6.956 11.735 1.00 0.00 N ATOM 1042 NH2 ARG A 67 6.273 -8.215 11.995 1.00 0.00 N ATOM 0 H ARG A 67 8.881 -3.301 7.922 1.00 0.00 H new ATOM 0 HA ARG A 67 8.217 -5.543 9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.937 -3.379 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.458 -4.530 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.935 -4.829 10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.774 -4.256 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.080 -6.423 9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.403 -6.654 7.973 1.00 0.00 H new ATOM 0 HE ARG A 67 6.552 -7.891 9.563 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.758 -6.390 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.138 -7.105 12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.126 -8.619 11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.039 -8.362 12.977 1.00 0.00 H new ATOM 1056 N PHE A 68 8.640 -6.138 6.293 1.00 0.00 N ATOM 1057 CA PHE A 68 8.560 -7.134 5.226 1.00 0.00 C ATOM 1058 C PHE A 68 9.937 -7.572 4.721 1.00 0.00 C ATOM 1059 O PHE A 68 10.057 -8.692 4.222 1.00 0.00 O ATOM 1060 CB PHE A 68 7.659 -6.592 4.106 1.00 0.00 C ATOM 1061 CG PHE A 68 6.207 -6.482 4.534 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.384 -7.615 4.441 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.690 -5.297 5.088 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.065 -7.586 4.924 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.384 -5.273 5.611 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.576 -6.422 5.542 1.00 0.00 C ATOM 0 H PHE A 68 9.037 -5.249 5.989 1.00 0.00 H new ATOM 0 HA PHE A 68 8.113 -8.044 5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.019 -5.611 3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.730 -7.246 3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.769 -8.519 3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.297 -4.404 5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.430 -8.454 4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.002 -4.371 6.066 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.582 -6.410 5.963 1.00 0.00 H new ATOM 1076 N GLY A 69 10.985 -6.769 4.931 1.00 0.00 N ATOM 1077 CA GLY A 69 12.374 -7.109 4.637 1.00 0.00 C ATOM 1078 C GLY A 69 12.923 -6.479 3.351 1.00 0.00 C ATOM 1079 O GLY A 69 14.094 -6.706 3.033 1.00 0.00 O ATOM 0 H GLY A 69 10.882 -5.833 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.997 -6.796 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.462 -8.193 4.562 1.00 0.00 H new ATOM 1083 N PHE A 70 12.125 -5.693 2.617 1.00 0.00 N ATOM 1084 CA PHE A 70 12.470 -5.184 1.289 1.00 0.00 C ATOM 1085 C PHE A 70 13.828 -4.453 1.248 1.00 0.00 C ATOM 1086 O PHE A 70 14.171 -3.759 2.209 1.00 0.00 O ATOM 1087 CB PHE A 70 11.400 -4.212 0.784 1.00 0.00 C ATOM 1088 CG PHE A 70 10.092 -4.811 0.333 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.001 -5.457 -0.914 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.954 -4.698 1.153 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.773 -5.988 -1.339 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.730 -5.244 0.737 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.644 -5.894 -0.510 1.00 0.00 C ATOM 0 H PHE A 70 11.206 -5.389 2.938 1.00 0.00 H new ATOM 0 HA PHE A 70 12.533 -6.065 0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.189 -3.497 1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.820 -3.648 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.875 -5.544 -1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.023 -4.190 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.697 -6.469 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.858 -5.166 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.705 -6.322 -0.830 1.00 0.00 H new ATOM 1103 N PRO A 71 14.573 -4.560 0.131 1.00 0.00 N ATOM 1104 CA PRO A 71 15.681 -3.666 -0.195 1.00 0.00 C ATOM 1105 C PRO A 71 15.186 -2.249 -0.523 1.00 0.00 C ATOM 1106 O PRO A 71 14.059 -2.080 -1.002 1.00 0.00 O ATOM 1107 CB PRO A 71 16.357 -4.263 -1.437 1.00 0.00 C ATOM 1108 CG PRO A 71 15.729 -5.641 -1.625 1.00 0.00 C ATOM 1109 CD PRO A 71 14.381 -5.533 -0.932 1.00 0.00 C ATOM 0 HA PRO A 71 16.360 -3.582 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.193 -3.635 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.435 -4.340 -1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.616 -5.886 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.344 -6.423 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.606 -5.209 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.066 -6.497 -0.531 1.00 0.00 H new ATOM 1117 N GLU A 72 16.057 -1.244 -0.370 1.00 0.00 N ATOM 1118 CA GLU A 72 15.751 0.119 -0.791 1.00 0.00 C ATOM 1119 C GLU A 72 15.782 0.124 -2.310 1.00 0.00 C ATOM 1120 O GLU A 72 16.615 -0.529 -2.942 1.00 0.00 O ATOM 1121 CB GLU A 72 16.702 1.192 -0.202 1.00 0.00 C ATOM 1122 CG GLU A 72 16.179 1.747 1.128 1.00 0.00 C ATOM 1123 CD GLU A 72 16.784 3.062 1.617 1.00 0.00 C ATOM 1124 OE1 GLU A 72 16.807 4.045 0.850 1.00 0.00 O ATOM 1125 OE2 GLU A 72 17.004 3.174 2.846 1.00 0.00 O ATOM 0 H GLU A 72 16.982 -1.355 0.045 1.00 0.00 H new ATOM 0 HA GLU A 72 14.770 0.397 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.691 0.758 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.817 2.007 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.101 1.883 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.342 0.992 1.897 1.00 0.00 H new ATOM 1132 N GLY A 73 14.840 0.844 -2.904 1.00 0.00 N ATOM 1133 CA GLY A 73 14.735 0.990 -4.338 1.00 0.00 C ATOM 1134 C GLY A 73 14.213 -0.244 -5.078 1.00 0.00 C ATOM 1135 O GLY A 73 13.703 -0.078 -6.189 1.00 0.00 O ATOM 0 H GLY A 73 14.119 1.349 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.076 1.831 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.718 1.244 -4.735 1.00 0.00 H new ATOM 1139 N SER A 74 14.291 -1.451 -4.506 1.00 0.00 N ATOM 1140 CA SER A 74 13.601 -2.636 -5.016 1.00 0.00 C ATOM 1141 C SER A 74 12.134 -2.689 -4.598 1.00 0.00 C ATOM 1142 O SER A 74 11.401 -3.544 -5.110 1.00 0.00 O ATOM 1143 CB SER A 74 14.286 -3.913 -4.533 1.00 0.00 C ATOM 1144 OG SER A 74 15.571 -4.056 -5.101 1.00 0.00 O ATOM 0 H SER A 74 14.842 -1.632 -3.667 1.00 0.00 H new ATOM 0 HA SER A 74 13.649 -2.566 -6.103 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.367 -3.895 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.674 -4.777 -4.793 1.00 0.00 H new ATOM 0 HG SER A 74 15.984 -4.881 -4.771 1.00 0.00 H new ATOM 1150 N VAL A 75 11.702 -1.797 -3.707 1.00 0.00 N ATOM 1151 CA VAL A 75 10.315 -1.608 -3.339 1.00 0.00 C ATOM 1152 C VAL A 75 9.977 -0.170 -3.696 1.00 0.00 C ATOM 1153 O VAL A 75 10.690 0.756 -3.296 1.00 0.00 O ATOM 1154 CB VAL A 75 10.100 -1.992 -1.857 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.658 -1.020 -0.793 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.616 -2.251 -1.584 1.00 0.00 C ATOM 0 H VAL A 75 12.335 -1.170 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 75 9.629 -2.260 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 75 10.699 -2.895 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.440 -1.406 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.737 -0.925 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.191 -0.042 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.480 -2.520 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.043 -1.350 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.267 -3.067 -2.217 1.00 0.00 H new ATOM 1166 N GLU A 76 8.914 0.023 -4.467 1.00 0.00 N ATOM 1167 CA GLU A 76 8.287 1.318 -4.602 1.00 0.00 C ATOM 1168 C GLU A 76 6.910 1.251 -3.978 1.00 0.00 C ATOM 1169 O GLU A 76 6.191 0.263 -4.141 1.00 0.00 O ATOM 1170 CB GLU A 76 8.213 1.764 -6.066 1.00 0.00 C ATOM 1171 CG GLU A 76 9.291 2.801 -6.398 1.00 0.00 C ATOM 1172 CD GLU A 76 8.991 4.179 -5.793 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.602 4.262 -4.606 1.00 0.00 O ATOM 1174 OE2 GLU A 76 9.214 5.210 -6.464 1.00 0.00 O ATOM 0 H GLU A 76 8.469 -0.715 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 76 8.890 2.065 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.329 0.897 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.228 2.185 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.254 2.449 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.378 2.895 -7.480 1.00 0.00 H new ATOM 1181 N LEU A 77 6.556 2.322 -3.274 1.00 0.00 N ATOM 1182 CA LEU A 77 5.254 2.495 -2.650 1.00 0.00 C ATOM 1183 C LEU A 77 4.623 3.690 -3.337 1.00 0.00 C ATOM 1184 O LEU A 77 5.272 4.727 -3.488 1.00 0.00 O ATOM 1185 CB LEU A 77 5.338 2.745 -1.128 1.00 0.00 C ATOM 1186 CG LEU A 77 5.573 1.509 -0.237 1.00 0.00 C ATOM 1187 CD1 LEU A 77 7.014 0.999 -0.322 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.269 1.866 1.225 1.00 0.00 C ATOM 0 H LEU A 77 7.184 3.111 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 77 4.668 1.583 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.143 3.456 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.412 3.223 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 77 4.910 0.722 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.130 0.128 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.242 0.722 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.697 1.784 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.435 0.992 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.925 2.675 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.230 2.185 1.313 1.00 0.00 H new ATOM 1200 N TYR A 78 3.357 3.558 -3.705 1.00 0.00 N ATOM 1201 CA TYR A 78 2.529 4.564 -4.333 1.00 0.00 C ATOM 1202 C TYR A 78 1.182 4.623 -3.621 1.00 0.00 C ATOM 1203 O TYR A 78 0.859 3.754 -2.802 1.00 0.00 O ATOM 1204 CB TYR A 78 2.309 4.176 -5.796 1.00 0.00 C ATOM 1205 CG TYR A 78 3.562 3.931 -6.608 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.262 5.031 -7.135 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.018 2.619 -6.854 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.427 4.831 -7.891 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.160 2.415 -7.642 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.883 3.521 -8.153 1.00 0.00 C ATOM 1211 OH TYR A 78 7.037 3.334 -8.846 1.00 0.00 O ATOM 0 H TYR A 78 2.852 2.684 -3.561 1.00 0.00 H new ATOM 0 HA TYR A 78 3.015 5.538 -4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.698 3.274 -5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.734 4.966 -6.279 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.902 6.033 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.489 1.775 -6.437 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.975 5.680 -8.273 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.490 1.410 -7.860 1.00 0.00 H new ATOM 0 HH TYR A 78 7.210 2.374 -8.940 1.00 0.00 H new ATOM 1221 N ALA A 79 0.370 5.616 -3.972 1.00 0.00 N ATOM 1222 CA ALA A 79 -1.029 5.687 -3.599 1.00 0.00 C ATOM 1223 C ALA A 79 -1.833 6.039 -4.847 1.00 0.00 C ATOM 1224 O ALA A 79 -1.351 6.794 -5.697 1.00 0.00 O ATOM 1225 CB ALA A 79 -1.201 6.745 -2.500 1.00 0.00 C ATOM 0 H ALA A 79 0.678 6.408 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.386 4.735 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.251 6.805 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.603 6.468 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.871 7.714 -2.873 1.00 0.00 H new ATOM 1231 N GLU A 80 -3.068 5.565 -4.929 1.00 0.00 N ATOM 1232 CA GLU A 80 -4.041 5.910 -5.950 1.00 0.00 C ATOM 1233 C GLU A 80 -5.354 6.227 -5.244 1.00 0.00 C ATOM 1234 O GLU A 80 -5.641 5.691 -4.165 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.235 4.742 -6.934 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.255 5.164 -8.410 1.00 0.00 C ATOM 1237 CD GLU A 80 -5.266 6.270 -8.734 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -4.973 7.460 -8.467 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -6.354 5.994 -9.293 1.00 0.00 O ATOM 0 H GLU A 80 -3.434 4.897 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.695 6.769 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.434 4.018 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.171 4.235 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.259 5.504 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.480 4.291 -9.023 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.156 7.099 -5.851 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.463 7.430 -5.328 1.00 0.00 C ATOM 1248 C LYS A 81 -8.460 6.376 -5.776 1.00 0.00 C ATOM 1249 O LYS A 81 -8.324 5.788 -6.852 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.886 8.831 -5.769 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.462 9.620 -4.585 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.073 10.947 -5.037 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.059 11.807 -5.806 1.00 0.00 C ATOM 1254 NZ LYS A 81 -8.661 13.050 -6.318 1.00 0.00 N ATOM 0 H LYS A 81 -5.913 7.588 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.429 7.437 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.029 9.362 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.631 8.759 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.222 9.021 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.674 9.811 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.939 10.752 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.431 11.498 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.223 12.053 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.654 11.231 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.941 13.599 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.443 12.817 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.025 13.613 -5.523 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.488 6.175 -4.967 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.546 5.222 -5.265 1.00 0.00 C ATOM 1270 C VAL A 82 -11.650 5.880 -6.089 1.00 0.00 C ATOM 1271 O VAL A 82 -11.791 7.105 -6.100 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.107 4.617 -3.969 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.030 3.797 -3.259 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.669 5.662 -3.013 1.00 0.00 C ATOM 0 H VAL A 82 -9.613 6.669 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.124 4.412 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.937 3.974 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.440 3.374 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.696 2.991 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.185 4.440 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.049 5.169 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.881 6.362 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.480 6.203 -3.501 1.00 0.00 H new