USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 446 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.696 USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= -0.212 (180deg=-0.889) USER MOD Single : A 16 TYR OH : rot 127:sc= 0.211 USER MOD Single : A 19 GLN : amide:sc= -0.426 K(o=-0.43,f=-3.8!) USER MOD Single : A 20 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -81:sc= 0.187 USER MOD Single : A 36 ASN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.0087) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 3.137 -7.452 -0.479 1.00 0.00 N ATOM 67 CA ASP A 8 4.078 -6.706 -1.307 1.00 0.00 C ATOM 68 C ASP A 8 4.698 -5.554 -0.522 1.00 0.00 C ATOM 69 O ASP A 8 3.997 -4.647 -0.072 1.00 0.00 O ATOM 70 CB ASP A 8 3.376 -6.168 -2.555 1.00 0.00 C ATOM 71 CG ASP A 8 3.431 -7.143 -3.715 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.528 -7.670 -3.996 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.377 -7.380 -4.342 1.00 0.00 O ATOM 0 HA ASP A 8 4.874 -7.385 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.335 -5.949 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.840 -5.227 -2.852 1.00 0.00 H new ATOM 78 N TYR A 9 6.016 -5.597 -0.360 1.00 0.00 N ATOM 79 CA TYR A 9 6.730 -4.560 0.374 1.00 0.00 C ATOM 80 C TYR A 9 7.105 -3.402 -0.546 1.00 0.00 C ATOM 81 O TYR A 9 7.521 -3.609 -1.687 1.00 0.00 O ATOM 82 CB TYR A 9 7.989 -5.139 1.021 1.00 0.00 C ATOM 83 CG TYR A 9 7.759 -5.683 2.413 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.594 -6.372 2.726 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.707 -5.510 3.414 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.379 -6.871 3.997 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.501 -6.006 4.686 1.00 0.00 C ATOM 88 CZ TYR A 9 7.335 -6.686 4.973 1.00 0.00 C ATOM 89 OH TYR A 9 7.126 -7.182 6.239 1.00 0.00 O ATOM 0 H TYR A 9 6.611 -6.339 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 9 6.069 -4.182 1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.379 -5.936 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.754 -4.364 1.065 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.844 -6.520 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.621 -4.978 3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.467 -7.403 4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.248 -5.863 5.452 1.00 0.00 H new ATOM 0 HH TYR A 9 7.896 -6.967 6.806 1.00 0.00 H new ATOM 99 N CYS A 10 6.954 -2.182 -0.042 1.00 0.00 N ATOM 100 CA CYS A 10 7.276 -0.989 -0.817 1.00 0.00 C ATOM 101 C CYS A 10 8.100 -0.009 0.011 1.00 0.00 C ATOM 102 O CYS A 10 7.728 0.342 1.131 1.00 0.00 O ATOM 103 CB CYS A 10 5.994 -0.311 -1.305 1.00 0.00 C ATOM 104 SG CYS A 10 4.879 -1.408 -2.212 1.00 0.00 S ATOM 0 H CYS A 10 6.611 -1.993 0.900 1.00 0.00 H new ATOM 0 HA CYS A 10 7.868 -1.295 -1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.463 0.100 -0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.261 0.529 -1.946 1.00 0.00 H new ATOM 0 HG CYS A 10 3.824 -0.745 -2.581 1.00 0.00 H new ATOM 110 N LYS A 11 9.224 0.429 -0.547 1.00 0.00 N ATOM 111 CA LYS A 11 10.103 1.369 0.139 1.00 0.00 C ATOM 112 C LYS A 11 9.685 2.809 -0.141 1.00 0.00 C ATOM 113 O LYS A 11 9.508 3.201 -1.294 1.00 0.00 O ATOM 114 CB LYS A 11 11.554 1.154 -0.298 1.00 0.00 C ATOM 115 CG LYS A 11 12.503 2.234 0.190 1.00 0.00 C ATOM 116 CD LYS A 11 13.955 1.822 0.016 1.00 0.00 C ATOM 117 CE LYS A 11 14.903 2.863 0.590 1.00 0.00 C ATOM 118 NZ LYS A 11 14.973 4.081 -0.265 1.00 0.00 N ATOM 0 H LYS A 11 9.548 0.148 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 11 10.022 1.188 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.896 0.187 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.594 1.112 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.318 3.157 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.307 2.444 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.124 0.864 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.169 1.678 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.574 3.141 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.899 2.432 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.966 4.368 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.563 3.874 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.439 4.852 0.185 1.00 0.00 H new ATOM 132 N VAL A 12 9.530 3.593 0.921 1.00 0.00 N ATOM 133 CA VAL A 12 9.135 4.990 0.790 1.00 0.00 C ATOM 134 C VAL A 12 10.348 5.883 0.554 1.00 0.00 C ATOM 135 O VAL A 12 11.258 5.942 1.381 1.00 0.00 O ATOM 136 CB VAL A 12 8.385 5.482 2.041 1.00 0.00 C ATOM 137 CG1 VAL A 12 8.097 6.972 1.940 1.00 0.00 C ATOM 138 CG2 VAL A 12 7.098 4.693 2.234 1.00 0.00 C ATOM 0 H VAL A 12 9.672 3.284 1.883 1.00 0.00 H new ATOM 0 HA VAL A 12 8.468 5.051 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 12 9.019 5.318 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.566 7.301 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.036 7.519 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.482 7.165 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.580 5.053 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.457 4.824 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.334 3.636 2.355 1.00 0.00 H new ATOM 148 N ILE A 13 10.353 6.578 -0.579 1.00 0.00 N ATOM 149 CA ILE A 13 11.453 7.471 -0.922 1.00 0.00 C ATOM 150 C ILE A 13 10.999 8.926 -0.926 1.00 0.00 C ATOM 151 O ILE A 13 11.804 9.839 -0.741 1.00 0.00 O ATOM 152 CB ILE A 13 12.047 7.127 -2.301 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.946 7.099 -3.363 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.771 5.790 -2.246 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.107 5.841 -3.331 1.00 0.00 C ATOM 0 H ILE A 13 9.608 6.540 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 13 12.220 7.334 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 13 12.768 7.898 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.296 7.963 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.401 7.198 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.186 5.560 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.578 5.843 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.069 5.008 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.347 5.891 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.745 4.974 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.623 5.751 -2.358 1.00 0.00 H new ATOM 167 N PHE A 14 9.704 9.136 -1.136 1.00 0.00 N ATOM 168 CA PHE A 14 9.142 10.482 -1.163 1.00 0.00 C ATOM 169 C PHE A 14 8.210 10.706 0.025 1.00 0.00 C ATOM 170 O PHE A 14 7.273 9.944 0.264 1.00 0.00 O ATOM 171 CB PHE A 14 8.383 10.715 -2.471 1.00 0.00 C ATOM 172 CG PHE A 14 9.239 11.284 -3.567 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.495 10.760 -3.825 1.00 0.00 C ATOM 174 CD2 PHE A 14 8.786 12.342 -4.339 1.00 0.00 C ATOM 175 CE1 PHE A 14 11.285 11.283 -4.832 1.00 0.00 C ATOM 176 CE2 PHE A 14 9.571 12.868 -5.347 1.00 0.00 C ATOM 177 CZ PHE A 14 10.821 12.337 -5.595 1.00 0.00 C ATOM 0 H PHE A 14 9.024 8.392 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 14 9.965 11.194 -1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.956 9.770 -2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.550 11.392 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.861 9.934 -3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.808 12.760 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.264 10.868 -5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.207 13.694 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.435 12.745 -6.384 1.00 0.00 H new ATOM 187 N PRO A 15 8.474 11.776 0.789 1.00 0.00 N ATOM 188 CA PRO A 15 7.671 12.127 1.964 1.00 0.00 C ATOM 189 C PRO A 15 6.276 12.615 1.590 1.00 0.00 C ATOM 190 O PRO A 15 6.119 13.459 0.707 1.00 0.00 O ATOM 191 CB PRO A 15 8.474 13.253 2.619 1.00 0.00 C ATOM 192 CG PRO A 15 9.258 13.857 1.505 1.00 0.00 C ATOM 193 CD PRO A 15 9.575 12.728 0.563 1.00 0.00 C ATOM 0 HA PRO A 15 7.505 11.268 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.818 13.988 3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.129 12.869 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.685 14.636 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.170 14.323 1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.608 13.066 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.544 12.281 0.783 1.00 0.00 H new ATOM 201 N TYR A 16 5.266 12.079 2.265 1.00 0.00 N ATOM 202 CA TYR A 16 3.883 12.459 2.002 1.00 0.00 C ATOM 203 C TYR A 16 3.161 12.821 3.296 1.00 0.00 C ATOM 204 O TYR A 16 3.565 12.406 4.381 1.00 0.00 O ATOM 205 CB TYR A 16 3.145 11.321 1.294 1.00 0.00 C ATOM 206 CG TYR A 16 1.720 11.663 0.921 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.444 12.671 0.006 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.650 10.978 1.484 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.144 12.987 -0.338 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.653 11.287 1.145 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.901 12.292 0.234 1.00 0.00 C ATOM 212 OH TYR A 16 -2.198 12.603 -0.105 1.00 0.00 O ATOM 0 H TYR A 16 5.379 11.380 2.999 1.00 0.00 H new ATOM 0 HA TYR A 16 3.891 13.336 1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.693 11.050 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.142 10.444 1.941 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.260 13.217 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.840 10.191 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.053 13.774 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.473 10.744 1.591 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.663 11.792 -0.397 1.00 0.00 H new ATOM 222 N GLU A 17 2.090 13.599 3.171 1.00 0.00 N ATOM 223 CA GLU A 17 1.311 14.018 4.330 1.00 0.00 C ATOM 224 C GLU A 17 -0.176 13.761 4.108 1.00 0.00 C ATOM 225 O GLU A 17 -0.837 14.484 3.363 1.00 0.00 O ATOM 226 CB GLU A 17 1.546 15.501 4.621 1.00 0.00 C ATOM 227 CG GLU A 17 0.872 15.986 5.894 1.00 0.00 C ATOM 228 CD GLU A 17 1.760 15.845 7.115 1.00 0.00 C ATOM 229 OE1 GLU A 17 2.943 16.238 7.036 1.00 0.00 O ATOM 230 OE2 GLU A 17 1.273 15.342 8.149 1.00 0.00 O ATOM 0 H GLU A 17 1.742 13.951 2.279 1.00 0.00 H new ATOM 0 HA GLU A 17 1.639 13.431 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.618 15.682 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.181 16.090 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.588 17.032 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.048 15.422 6.051 1.00 0.00 H new ATOM 237 N ALA A 18 -0.696 12.726 4.760 1.00 0.00 N ATOM 238 CA ALA A 18 -2.105 12.374 4.635 1.00 0.00 C ATOM 239 C ALA A 18 -3.000 13.537 5.051 1.00 0.00 C ATOM 240 O ALA A 18 -2.893 14.046 6.166 1.00 0.00 O ATOM 241 CB ALA A 18 -2.417 11.141 5.470 1.00 0.00 C ATOM 0 H ALA A 18 -0.162 12.117 5.380 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.307 12.151 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.473 10.890 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.809 10.304 5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.193 11.344 6.517 1.00 0.00 H new ATOM 247 N GLN A 19 -3.881 13.952 4.146 1.00 0.00 N ATOM 248 CA GLN A 19 -4.793 15.056 4.420 1.00 0.00 C ATOM 249 C GLN A 19 -5.930 14.610 5.334 1.00 0.00 C ATOM 250 O GLN A 19 -6.293 15.311 6.277 1.00 0.00 O ATOM 251 CB GLN A 19 -5.362 15.612 3.113 1.00 0.00 C ATOM 252 CG GLN A 19 -6.344 16.755 3.314 1.00 0.00 C ATOM 253 CD GLN A 19 -5.663 18.043 3.732 1.00 0.00 C ATOM 254 OE1 GLN A 19 -4.499 18.041 4.134 1.00 0.00 O ATOM 255 NE2 GLN A 19 -6.386 19.153 3.638 1.00 0.00 N ATOM 0 H GLN A 19 -3.982 13.541 3.218 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.231 15.841 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.540 15.957 2.486 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.860 14.807 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.894 16.923 2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.075 16.472 4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.347 19.108 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.980 20.050 3.904 1.00 0.00 H new ATOM 264 N ASN A 20 -6.488 13.438 5.047 1.00 0.00 N ATOM 265 CA ASN A 20 -7.584 12.898 5.842 1.00 0.00 C ATOM 266 C ASN A 20 -7.243 11.507 6.366 1.00 0.00 C ATOM 267 O ASN A 20 -6.287 10.878 5.911 1.00 0.00 O ATOM 268 CB ASN A 20 -8.867 12.842 5.010 1.00 0.00 C ATOM 269 CG ASN A 20 -9.108 14.122 4.233 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.757 15.211 4.685 1.00 0.00 O ATOM 271 ND2 ASN A 20 -9.712 13.995 3.057 1.00 0.00 N ATOM 0 H ASN A 20 -6.199 12.844 4.270 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.741 13.559 6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.810 12.004 4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.716 12.654 5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.902 14.821 2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.986 13.072 2.721 1.00 0.00 H new ATOM 278 N ASP A 21 -8.031 11.031 7.324 1.00 0.00 N ATOM 279 CA ASP A 21 -7.813 9.713 7.909 1.00 0.00 C ATOM 280 C ASP A 21 -7.534 8.677 6.824 1.00 0.00 C ATOM 281 O ASP A 21 -6.595 7.889 6.932 1.00 0.00 O ATOM 282 CB ASP A 21 -9.030 9.291 8.734 1.00 0.00 C ATOM 283 CG ASP A 21 -9.333 10.263 9.857 1.00 0.00 C ATOM 284 OD1 ASP A 21 -8.582 10.270 10.854 1.00 0.00 O ATOM 285 OD2 ASP A 21 -10.323 11.017 9.739 1.00 0.00 O ATOM 0 H ASP A 21 -8.826 11.538 7.712 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.943 9.771 8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.899 9.213 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.856 8.300 9.152 1.00 0.00 H new ATOM 290 N ASP A 22 -8.357 8.684 5.781 1.00 0.00 N ATOM 291 CA ASP A 22 -8.199 7.744 4.677 1.00 0.00 C ATOM 292 C ASP A 22 -6.744 7.682 4.220 1.00 0.00 C ATOM 293 O ASP A 22 -6.178 6.601 4.070 1.00 0.00 O ATOM 294 CB ASP A 22 -9.097 8.145 3.506 1.00 0.00 C ATOM 295 CG ASP A 22 -10.509 8.479 3.947 1.00 0.00 C ATOM 296 OD1 ASP A 22 -11.061 7.732 4.781 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.061 9.487 3.457 1.00 0.00 O ATOM 0 H ASP A 22 -9.140 9.330 5.677 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.493 6.755 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.664 9.007 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.129 7.332 2.781 1.00 0.00 H new ATOM 302 N GLU A 23 -6.148 8.850 4.001 1.00 0.00 N ATOM 303 CA GLU A 23 -4.760 8.927 3.559 1.00 0.00 C ATOM 304 C GLU A 23 -3.808 8.553 4.691 1.00 0.00 C ATOM 305 O GLU A 23 -4.046 8.884 5.854 1.00 0.00 O ATOM 306 CB GLU A 23 -4.440 10.335 3.052 1.00 0.00 C ATOM 307 CG GLU A 23 -5.332 10.787 1.908 1.00 0.00 C ATOM 308 CD GLU A 23 -4.685 11.859 1.053 1.00 0.00 C ATOM 309 OE1 GLU A 23 -4.417 12.958 1.580 1.00 0.00 O ATOM 310 OE2 GLU A 23 -4.445 11.597 -0.145 1.00 0.00 O ATOM 0 H GLU A 23 -6.604 9.755 4.122 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.625 8.216 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.537 11.040 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.400 10.367 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.578 9.929 1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.270 11.167 2.312 1.00 0.00 H new ATOM 317 N LEU A 24 -2.728 7.861 4.344 1.00 0.00 N ATOM 318 CA LEU A 24 -1.738 7.442 5.330 1.00 0.00 C ATOM 319 C LEU A 24 -0.498 8.327 5.268 1.00 0.00 C ATOM 320 O LEU A 24 -0.077 8.751 4.191 1.00 0.00 O ATOM 321 CB LEU A 24 -1.348 5.981 5.100 1.00 0.00 C ATOM 322 CG LEU A 24 -0.188 5.454 5.945 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.700 4.888 7.261 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.596 4.400 5.178 1.00 0.00 C ATOM 0 H LEU A 24 -2.516 7.578 3.387 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.183 7.542 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.222 5.358 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.091 5.856 4.048 1.00 0.00 H new ATOM 0 HG LEU A 24 0.481 6.285 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.140 4.518 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.216 5.671 7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.391 4.070 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.418 4.037 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.063 3.569 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.996 4.838 4.263 1.00 0.00 H new ATOM 336 N THR A 25 0.086 8.602 6.430 1.00 0.00 N ATOM 337 CA THR A 25 1.279 9.436 6.508 1.00 0.00 C ATOM 338 C THR A 25 2.545 8.592 6.420 1.00 0.00 C ATOM 339 O THR A 25 2.803 7.750 7.281 1.00 0.00 O ATOM 340 CB THR A 25 1.309 10.252 7.814 1.00 0.00 C ATOM 341 OG1 THR A 25 0.107 11.020 7.940 1.00 0.00 O ATOM 342 CG2 THR A 25 2.514 11.180 7.844 1.00 0.00 C ATOM 0 H THR A 25 -0.248 8.259 7.331 1.00 0.00 H new ATOM 0 HA THR A 25 1.243 10.121 5.661 1.00 0.00 H new ATOM 0 HB THR A 25 1.384 9.556 8.649 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.133 11.534 8.774 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.514 11.746 8.775 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.429 10.591 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.464 11.869 7.001 1.00 0.00 H new ATOM 350 N ILE A 26 3.333 8.825 5.376 1.00 0.00 N ATOM 351 CA ILE A 26 4.575 8.087 5.177 1.00 0.00 C ATOM 352 C ILE A 26 5.760 9.035 5.030 1.00 0.00 C ATOM 353 O ILE A 26 5.632 10.126 4.473 1.00 0.00 O ATOM 354 CB ILE A 26 4.499 7.182 3.933 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.370 8.029 2.666 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.329 6.216 4.052 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.294 7.210 1.396 1.00 0.00 C ATOM 0 H ILE A 26 3.134 9.519 4.655 1.00 0.00 H new ATOM 0 HA ILE A 26 4.717 7.465 6.061 1.00 0.00 H new ATOM 0 HB ILE A 26 5.419 6.602 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.477 8.649 2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.223 8.705 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.288 5.583 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.460 5.593 4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.400 6.779 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.204 7.876 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.198 6.610 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.425 6.553 1.438 1.00 0.00 H new ATOM 369 N LYS A 27 6.915 8.611 5.532 1.00 0.00 N ATOM 370 CA LYS A 27 8.126 9.420 5.454 1.00 0.00 C ATOM 371 C LYS A 27 9.189 8.728 4.608 1.00 0.00 C ATOM 372 O LYS A 27 9.065 7.547 4.283 1.00 0.00 O ATOM 373 CB LYS A 27 8.673 9.690 6.858 1.00 0.00 C ATOM 374 CG LYS A 27 7.675 10.370 7.779 1.00 0.00 C ATOM 375 CD LYS A 27 7.688 11.878 7.601 1.00 0.00 C ATOM 376 CE LYS A 27 6.759 12.565 8.590 1.00 0.00 C ATOM 377 NZ LYS A 27 7.409 12.762 9.916 1.00 0.00 N ATOM 0 H LYS A 27 7.038 7.712 5.997 1.00 0.00 H new ATOM 0 HA LYS A 27 7.871 10.368 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.983 8.746 7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.564 10.313 6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.674 9.988 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.908 10.123 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.703 12.252 7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.387 12.128 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.452 13.531 8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.855 11.969 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.744 13.233 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.680 11.839 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.258 13.352 9.802 1.00 0.00 H new ATOM 391 N GLU A 28 10.234 9.470 4.255 1.00 0.00 N ATOM 392 CA GLU A 28 11.319 8.926 3.446 1.00 0.00 C ATOM 393 C GLU A 28 12.221 8.023 4.283 1.00 0.00 C ATOM 394 O GLU A 28 12.834 8.467 5.253 1.00 0.00 O ATOM 395 CB GLU A 28 12.143 10.058 2.830 1.00 0.00 C ATOM 396 CG GLU A 28 13.259 9.573 1.920 1.00 0.00 C ATOM 397 CD GLU A 28 14.014 10.713 1.264 1.00 0.00 C ATOM 398 OE1 GLU A 28 14.877 11.318 1.934 1.00 0.00 O ATOM 399 OE2 GLU A 28 13.740 11.000 0.079 1.00 0.00 O ATOM 0 H GLU A 28 10.352 10.449 4.516 1.00 0.00 H new ATOM 0 HA GLU A 28 10.878 8.331 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.480 10.711 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.574 10.660 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.956 8.966 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.839 8.929 1.148 1.00 0.00 H new ATOM 406 N GLY A 29 12.296 6.752 3.899 1.00 0.00 N ATOM 407 CA GLY A 29 13.124 5.806 4.624 1.00 0.00 C ATOM 408 C GLY A 29 12.306 4.830 5.445 1.00 0.00 C ATOM 409 O GLY A 29 12.725 4.413 6.525 1.00 0.00 O ATOM 0 H GLY A 29 11.798 6.361 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.742 5.253 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.802 6.350 5.282 1.00 0.00 H new ATOM 413 N ASP A 30 11.135 4.465 4.935 1.00 0.00 N ATOM 414 CA ASP A 30 10.255 3.532 5.629 1.00 0.00 C ATOM 415 C ASP A 30 9.544 2.616 4.637 1.00 0.00 C ATOM 416 O ASP A 30 9.190 3.035 3.535 1.00 0.00 O ATOM 417 CB ASP A 30 9.227 4.294 6.466 1.00 0.00 C ATOM 418 CG ASP A 30 9.825 4.867 7.736 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.780 4.262 8.268 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.339 5.920 8.198 1.00 0.00 O ATOM 0 H ASP A 30 10.773 4.801 4.043 1.00 0.00 H new ATOM 0 HA ASP A 30 10.866 2.917 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.805 5.103 5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.405 3.626 6.724 1.00 0.00 H new ATOM 425 N ILE A 31 9.340 1.366 5.037 1.00 0.00 N ATOM 426 CA ILE A 31 8.671 0.391 4.184 1.00 0.00 C ATOM 427 C ILE A 31 7.226 0.177 4.622 1.00 0.00 C ATOM 428 O ILE A 31 6.937 0.067 5.813 1.00 0.00 O ATOM 429 CB ILE A 31 9.405 -0.963 4.194 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.813 -0.809 3.615 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.614 -1.999 3.410 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.775 -0.103 4.545 1.00 0.00 C ATOM 0 H ILE A 31 9.628 1.004 5.946 1.00 0.00 H new ATOM 0 HA ILE A 31 8.685 0.795 3.172 1.00 0.00 H new ATOM 0 HB ILE A 31 9.493 -1.305 5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.209 -1.796 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.753 -0.255 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.145 -2.951 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.630 -2.125 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.499 -1.665 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.753 -0.029 4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.402 0.897 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.865 -0.668 5.473 1.00 0.00 H new ATOM 444 N VAL A 32 6.321 0.117 3.650 1.00 0.00 N ATOM 445 CA VAL A 32 4.906 -0.087 3.934 1.00 0.00 C ATOM 446 C VAL A 32 4.384 -1.346 3.250 1.00 0.00 C ATOM 447 O VAL A 32 4.535 -1.517 2.039 1.00 0.00 O ATOM 448 CB VAL A 32 4.063 1.119 3.479 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.586 0.868 3.745 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.530 2.388 4.174 1.00 0.00 C ATOM 0 H VAL A 32 6.543 0.207 2.659 1.00 0.00 H new ATOM 0 HA VAL A 32 4.813 -0.199 5.014 1.00 0.00 H new ATOM 0 HB VAL A 32 4.198 1.250 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.006 1.730 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.263 -0.017 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.430 0.710 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.923 3.230 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.427 2.271 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.575 2.574 3.928 1.00 0.00 H new ATOM 460 N THR A 33 3.768 -2.226 4.032 1.00 0.00 N ATOM 461 CA THR A 33 3.224 -3.470 3.503 1.00 0.00 C ATOM 462 C THR A 33 1.945 -3.218 2.714 1.00 0.00 C ATOM 463 O THR A 33 0.938 -2.776 3.268 1.00 0.00 O ATOM 464 CB THR A 33 2.929 -4.478 4.629 1.00 0.00 C ATOM 465 OG1 THR A 33 4.089 -4.648 5.452 1.00 0.00 O ATOM 466 CG2 THR A 33 2.508 -5.823 4.056 1.00 0.00 C ATOM 0 H THR A 33 3.633 -2.100 5.035 1.00 0.00 H new ATOM 0 HA THR A 33 3.981 -3.889 2.840 1.00 0.00 H new ATOM 0 HB THR A 33 2.110 -4.085 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.707 -5.274 5.020 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.305 -6.518 4.871 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.608 -5.696 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.309 -6.219 3.432 1.00 0.00 H new ATOM 474 N LEU A 34 1.989 -3.504 1.417 1.00 0.00 N ATOM 475 CA LEU A 34 0.832 -3.309 0.551 1.00 0.00 C ATOM 476 C LEU A 34 -0.309 -4.240 0.948 1.00 0.00 C ATOM 477 O LEU A 34 -0.202 -5.460 0.819 1.00 0.00 O ATOM 478 CB LEU A 34 1.217 -3.551 -0.910 1.00 0.00 C ATOM 479 CG LEU A 34 0.422 -2.765 -1.953 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.710 -1.276 -1.832 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.746 -3.260 -3.355 1.00 0.00 C ATOM 0 H LEU A 34 2.814 -3.872 0.942 1.00 0.00 H new ATOM 0 HA LEU A 34 0.493 -2.279 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.273 -3.311 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.105 -4.614 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.640 -2.925 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.136 -0.732 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.427 -0.930 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.774 -1.097 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.171 -2.689 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.811 -3.130 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.489 -4.316 -3.436 1.00 0.00 H new ATOM 493 N ILE A 35 -1.401 -3.657 1.431 1.00 0.00 N ATOM 494 CA ILE A 35 -2.563 -4.434 1.844 1.00 0.00 C ATOM 495 C ILE A 35 -3.397 -4.859 0.640 1.00 0.00 C ATOM 496 O ILE A 35 -3.591 -6.048 0.396 1.00 0.00 O ATOM 497 CB ILE A 35 -3.454 -3.640 2.817 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.702 -3.363 4.121 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.743 -4.399 3.094 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.241 -4.617 4.831 1.00 0.00 C ATOM 0 H ILE A 35 -1.505 -2.649 1.546 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.185 -5.321 2.352 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.709 -2.686 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.835 -2.738 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.348 -2.793 4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.362 -3.825 3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.284 -4.550 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.507 -5.366 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.716 -4.345 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.105 -5.234 5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.569 -5.177 4.181 1.00 0.00 H new ATOM 512 N ASN A 36 -3.885 -3.876 -0.110 1.00 0.00 N ATOM 513 CA ASN A 36 -4.697 -4.148 -1.291 1.00 0.00 C ATOM 514 C ASN A 36 -4.306 -3.229 -2.444 1.00 0.00 C ATOM 515 O ASN A 36 -3.972 -2.062 -2.237 1.00 0.00 O ATOM 516 CB ASN A 36 -6.182 -3.973 -0.965 1.00 0.00 C ATOM 517 CG ASN A 36 -7.082 -4.584 -2.022 1.00 0.00 C ATOM 518 OD1 ASN A 36 -7.905 -3.895 -2.626 1.00 0.00 O ATOM 519 ND2 ASN A 36 -6.929 -5.883 -2.250 1.00 0.00 N ATOM 0 H ASN A 36 -3.733 -2.885 0.079 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.517 -5.179 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.396 -4.432 0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.408 -2.911 -0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.506 -6.349 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.234 -6.414 -1.725 1.00 0.00 H new ATOM 526 N LYS A 37 -4.350 -3.762 -3.660 1.00 0.00 N ATOM 527 CA LYS A 37 -4.002 -2.991 -4.847 1.00 0.00 C ATOM 528 C LYS A 37 -5.111 -2.005 -5.199 1.00 0.00 C ATOM 529 O LYS A 37 -6.231 -2.110 -4.698 1.00 0.00 O ATOM 530 CB LYS A 37 -3.743 -3.927 -6.030 1.00 0.00 C ATOM 531 CG LYS A 37 -2.460 -4.729 -5.902 1.00 0.00 C ATOM 532 CD LYS A 37 -1.984 -5.240 -7.252 1.00 0.00 C ATOM 533 CE LYS A 37 -0.617 -5.898 -7.148 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.307 -6.724 -8.348 1.00 0.00 N ATOM 0 H LYS A 37 -4.624 -4.726 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.094 -2.428 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.583 -4.615 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.703 -3.338 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.685 -4.108 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.622 -5.572 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.705 -5.956 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.938 -4.412 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.147 -5.130 -7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.582 -6.525 -6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.633 -7.156 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.022 -7.472 -8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.315 -6.122 -9.196 1.00 0.00 H new ATOM 548 N ASP A 38 -4.793 -1.048 -6.064 1.00 0.00 N ATOM 549 CA ASP A 38 -5.763 -0.044 -6.485 1.00 0.00 C ATOM 550 C ASP A 38 -6.378 -0.414 -7.831 1.00 0.00 C ATOM 551 O ASP A 38 -5.830 -1.230 -8.572 1.00 0.00 O ATOM 552 CB ASP A 38 -5.100 1.332 -6.574 1.00 0.00 C ATOM 553 CG ASP A 38 -6.009 2.374 -7.196 1.00 0.00 C ATOM 554 OD1 ASP A 38 -7.219 2.366 -6.886 1.00 0.00 O ATOM 555 OD2 ASP A 38 -5.510 3.197 -7.991 1.00 0.00 O ATOM 0 H ASP A 38 -3.871 -0.946 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.558 -0.008 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.810 1.657 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.186 1.254 -7.162 1.00 0.00 H new ATOM 560 N CYS A 39 -7.520 0.192 -8.140 1.00 0.00 N ATOM 561 CA CYS A 39 -8.211 -0.075 -9.397 1.00 0.00 C ATOM 562 C CYS A 39 -7.266 0.087 -10.583 1.00 0.00 C ATOM 563 O CYS A 39 -6.200 0.691 -10.461 1.00 0.00 O ATOM 564 CB CYS A 39 -9.410 0.862 -9.552 1.00 0.00 C ATOM 565 SG CYS A 39 -10.885 0.328 -8.654 1.00 0.00 S ATOM 0 H CYS A 39 -7.986 0.871 -7.538 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.565 -1.106 -9.377 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.127 1.856 -9.206 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.654 0.950 -10.611 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.843 1.185 -8.845 1.00 0.00 H new ATOM 571 N ILE A 40 -7.663 -0.456 -11.728 1.00 0.00 N ATOM 572 CA ILE A 40 -6.850 -0.372 -12.935 1.00 0.00 C ATOM 573 C ILE A 40 -6.064 0.934 -12.978 1.00 0.00 C ATOM 574 O ILE A 40 -4.963 0.989 -13.526 1.00 0.00 O ATOM 575 CB ILE A 40 -7.716 -0.479 -14.205 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.619 -1.712 -14.131 1.00 0.00 C ATOM 577 CG2 ILE A 40 -6.835 -0.534 -15.443 1.00 0.00 C ATOM 578 CD1 ILE A 40 -9.960 -1.442 -13.485 1.00 0.00 C ATOM 0 H ILE A 40 -8.543 -0.959 -11.846 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.155 -1.211 -12.907 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.348 0.407 -14.272 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.781 -2.095 -15.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.106 -2.495 -13.572 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.461 -0.609 -16.332 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.231 0.372 -15.500 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.180 -1.404 -15.385 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.547 -2.360 -13.467 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.808 -1.088 -12.465 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.493 -0.682 -14.057 1.00 0.00 H new ATOM 590 N ASP A 41 -6.635 1.981 -12.395 1.00 0.00 N ATOM 591 CA ASP A 41 -5.986 3.287 -12.364 1.00 0.00 C ATOM 592 C ASP A 41 -4.763 3.264 -11.453 1.00 0.00 C ATOM 593 O ASP A 41 -4.857 2.907 -10.278 1.00 0.00 O ATOM 594 CB ASP A 41 -6.970 4.358 -11.890 1.00 0.00 C ATOM 595 CG ASP A 41 -8.153 4.512 -12.825 1.00 0.00 C ATOM 596 OD1 ASP A 41 -7.957 5.009 -13.953 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.276 4.135 -12.429 1.00 0.00 O ATOM 0 H ASP A 41 -7.546 1.952 -11.937 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.659 3.527 -13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.329 4.101 -10.893 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.451 5.313 -11.806 1.00 0.00 H new ATOM 602 N VAL A 42 -3.614 3.646 -12.003 1.00 0.00 N ATOM 603 CA VAL A 42 -2.372 3.670 -11.240 1.00 0.00 C ATOM 604 C VAL A 42 -2.180 5.012 -10.544 1.00 0.00 C ATOM 605 O VAL A 42 -2.693 6.036 -10.994 1.00 0.00 O ATOM 606 CB VAL A 42 -1.155 3.393 -12.142 1.00 0.00 C ATOM 607 CG1 VAL A 42 0.130 3.418 -11.328 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.315 2.061 -12.859 1.00 0.00 C ATOM 0 H VAL A 42 -3.518 3.943 -12.974 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.446 2.883 -10.490 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.096 4.180 -12.894 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.979 3.220 -11.982 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.249 4.398 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.084 2.654 -10.552 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.446 1.882 -13.492 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.400 1.260 -12.124 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.214 2.085 -13.475 1.00 0.00 H new ATOM 618 N GLY A 43 -1.436 5.000 -9.442 1.00 0.00 N ATOM 619 CA GLY A 43 -1.188 6.223 -8.700 1.00 0.00 C ATOM 620 C GLY A 43 -1.709 6.154 -7.279 1.00 0.00 C ATOM 621 O GLY A 43 -1.324 6.959 -6.430 1.00 0.00 O ATOM 0 H GLY A 43 -1.001 4.165 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.117 6.422 -8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.659 7.059 -9.216 1.00 0.00 H new ATOM 625 N TRP A 44 -2.588 5.193 -7.018 1.00 0.00 N ATOM 626 CA TRP A 44 -3.164 5.024 -5.689 1.00 0.00 C ATOM 627 C TRP A 44 -2.928 3.611 -5.169 1.00 0.00 C ATOM 628 O TRP A 44 -2.929 2.649 -5.937 1.00 0.00 O ATOM 629 CB TRP A 44 -4.663 5.327 -5.718 1.00 0.00 C ATOM 630 CG TRP A 44 -4.987 6.668 -6.303 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.454 6.922 -7.561 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.867 7.938 -5.653 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.631 8.274 -7.732 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.279 8.919 -6.576 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.454 8.342 -4.381 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.287 10.276 -6.265 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.462 9.689 -4.074 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.877 10.643 -5.013 1.00 0.00 C ATOM 0 H TRP A 44 -2.917 4.519 -7.709 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.672 5.725 -5.015 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.171 4.555 -6.295 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.056 5.277 -4.703 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.655 6.171 -8.311 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.970 8.724 -8.582 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.134 7.614 -3.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.606 11.013 -6.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.143 10.012 -3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.873 11.689 -4.743 1.00 0.00 H new ATOM 649 N TRP A 45 -2.726 3.492 -3.862 1.00 0.00 N ATOM 650 CA TRP A 45 -2.489 2.194 -3.240 1.00 0.00 C ATOM 651 C TRP A 45 -2.747 2.255 -1.738 1.00 0.00 C ATOM 652 O TRP A 45 -2.651 3.318 -1.126 1.00 0.00 O ATOM 653 CB TRP A 45 -1.055 1.733 -3.505 1.00 0.00 C ATOM 654 CG TRP A 45 -0.888 1.044 -4.825 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.864 0.436 -5.562 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.329 0.890 -5.564 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.327 -0.086 -6.714 1.00 0.00 N ATOM 658 CE2 TRP A 45 0.016 0.179 -6.739 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.652 1.284 -5.347 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.979 -0.144 -7.692 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.607 0.962 -6.293 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.266 0.255 -7.454 1.00 0.00 C ATOM 0 H TRP A 45 -2.721 4.278 -3.212 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.181 1.476 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.390 2.596 -3.467 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.745 1.057 -2.708 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.905 0.375 -5.281 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.845 -0.589 -7.434 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.924 1.830 -4.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.719 -0.690 -8.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.633 1.260 -6.135 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.035 0.020 -8.175 1.00 0.00 H new ATOM 673 N GLU A 46 -3.074 1.108 -1.151 1.00 0.00 N ATOM 674 CA GLU A 46 -3.345 1.033 0.279 1.00 0.00 C ATOM 675 C GLU A 46 -2.327 0.138 0.981 1.00 0.00 C ATOM 676 O GLU A 46 -2.029 -0.962 0.518 1.00 0.00 O ATOM 677 CB GLU A 46 -4.760 0.504 0.525 1.00 0.00 C ATOM 678 CG GLU A 46 -5.397 1.039 1.797 1.00 0.00 C ATOM 679 CD GLU A 46 -6.753 0.419 2.075 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.544 0.269 1.121 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.022 0.085 3.248 1.00 0.00 O ATOM 0 H GLU A 46 -3.158 0.219 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.263 2.039 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.390 0.766 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.729 -0.584 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.734 0.846 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.505 2.121 1.718 1.00 0.00 H new ATOM 688 N GLY A 47 -1.797 0.619 2.101 1.00 0.00 N ATOM 689 CA GLY A 47 -0.818 -0.148 2.848 1.00 0.00 C ATOM 690 C GLY A 47 -0.935 0.063 4.344 1.00 0.00 C ATOM 691 O GLY A 47 -1.663 0.945 4.798 1.00 0.00 O ATOM 0 H GLY A 47 -2.028 1.527 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.942 -1.207 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.184 0.132 2.522 1.00 0.00 H new ATOM 695 N GLU A 48 -0.217 -0.750 5.113 1.00 0.00 N ATOM 696 CA GLU A 48 -0.246 -0.649 6.567 1.00 0.00 C ATOM 697 C GLU A 48 1.078 -0.112 7.102 1.00 0.00 C ATOM 698 O GLU A 48 2.146 -0.647 6.800 1.00 0.00 O ATOM 699 CB GLU A 48 -0.544 -2.014 7.190 1.00 0.00 C ATOM 700 CG GLU A 48 -1.270 -1.931 8.522 1.00 0.00 C ATOM 701 CD GLU A 48 -1.566 -3.296 9.112 1.00 0.00 C ATOM 702 OE1 GLU A 48 -0.609 -3.992 9.509 1.00 0.00 O ATOM 703 OE2 GLU A 48 -2.757 -3.668 9.176 1.00 0.00 O ATOM 0 H GLU A 48 0.391 -1.485 4.753 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.038 0.048 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.146 -2.598 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.393 -2.552 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.666 -1.359 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.205 -1.387 8.389 1.00 0.00 H new ATOM 710 N LEU A 49 1.001 0.949 7.898 1.00 0.00 N ATOM 711 CA LEU A 49 2.194 1.560 8.476 1.00 0.00 C ATOM 712 C LEU A 49 1.916 2.067 9.887 1.00 0.00 C ATOM 713 O LEU A 49 0.977 2.829 10.110 1.00 0.00 O ATOM 714 CB LEU A 49 2.678 2.712 7.594 1.00 0.00 C ATOM 715 CG LEU A 49 4.061 3.275 7.925 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.131 2.213 7.727 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.357 4.499 7.070 1.00 0.00 C ATOM 0 H LEU A 49 0.126 1.404 8.158 1.00 0.00 H new ATOM 0 HA LEU A 49 2.973 0.799 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.684 2.372 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.952 3.523 7.659 1.00 0.00 H new ATOM 0 HG LEU A 49 4.068 3.578 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.108 2.632 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.928 1.366 8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.125 1.879 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.345 4.886 7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.331 4.222 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.607 5.267 7.262 1.00 0.00 H new ATOM 729 N ASN A 50 2.742 1.640 10.837 1.00 0.00 N ATOM 730 CA ASN A 50 2.586 2.052 12.227 1.00 0.00 C ATOM 731 C ASN A 50 1.195 1.702 12.746 1.00 0.00 C ATOM 732 O ASN A 50 0.561 2.497 13.439 1.00 0.00 O ATOM 733 CB ASN A 50 2.831 3.556 12.366 1.00 0.00 C ATOM 734 CG ASN A 50 4.304 3.910 12.303 1.00 0.00 C ATOM 735 OD1 ASN A 50 5.090 3.496 13.156 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.685 4.680 11.291 1.00 0.00 N ATOM 0 H ASN A 50 3.526 1.009 10.669 1.00 0.00 H new ATOM 0 HA ASN A 50 3.323 1.514 12.824 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.299 4.083 11.574 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.417 3.903 13.313 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.664 4.952 11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.999 5.000 10.607 1.00 0.00 H new ATOM 743 N GLY A 51 0.726 0.505 12.406 1.00 0.00 N ATOM 744 CA GLY A 51 -0.587 0.070 12.846 1.00 0.00 C ATOM 745 C GLY A 51 -1.696 0.969 12.336 1.00 0.00 C ATOM 746 O GLY A 51 -2.546 1.416 13.107 1.00 0.00 O ATOM 0 H GLY A 51 1.232 -0.171 11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.763 -0.949 12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.613 0.048 13.935 1.00 0.00 H new ATOM 750 N ARG A 52 -1.689 1.236 11.034 1.00 0.00 N ATOM 751 CA ARG A 52 -2.700 2.090 10.424 1.00 0.00 C ATOM 752 C ARG A 52 -3.086 1.572 9.041 1.00 0.00 C ATOM 753 O ARG A 52 -2.351 0.795 8.431 1.00 0.00 O ATOM 754 CB ARG A 52 -2.188 3.527 10.317 1.00 0.00 C ATOM 755 CG ARG A 52 -1.973 4.199 11.664 1.00 0.00 C ATOM 756 CD ARG A 52 -2.014 5.714 11.544 1.00 0.00 C ATOM 757 NE ARG A 52 -2.278 6.357 12.828 1.00 0.00 N ATOM 758 CZ ARG A 52 -2.129 7.660 13.042 1.00 0.00 C ATOM 759 NH1 ARG A 52 -1.722 8.454 12.061 1.00 0.00 N ATOM 760 NH2 ARG A 52 -2.389 8.171 14.238 1.00 0.00 N ATOM 0 H ARG A 52 -0.994 0.873 10.382 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.585 2.074 11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.248 3.529 9.765 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.899 4.115 9.737 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.740 3.868 12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.012 3.892 12.076 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.064 6.072 11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.786 6.000 10.830 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.594 5.774 13.603 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.523 8.065 11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.608 9.454 12.228 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.704 7.564 14.995 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.274 9.171 14.401 1.00 0.00 H new ATOM 774 N ARG A 53 -4.243 2.008 8.553 1.00 0.00 N ATOM 775 CA ARG A 53 -4.727 1.588 7.244 1.00 0.00 C ATOM 776 C ARG A 53 -5.280 2.775 6.462 1.00 0.00 C ATOM 777 O ARG A 53 -6.346 3.301 6.782 1.00 0.00 O ATOM 778 CB ARG A 53 -5.807 0.515 7.396 1.00 0.00 C ATOM 779 CG ARG A 53 -5.254 -0.897 7.498 1.00 0.00 C ATOM 780 CD ARG A 53 -6.350 -1.938 7.332 1.00 0.00 C ATOM 781 NE ARG A 53 -6.806 -2.036 5.948 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.864 -2.745 5.571 1.00 0.00 C ATOM 783 NH1 ARG A 53 -8.572 -3.414 6.471 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.216 -2.785 4.293 1.00 0.00 N ATOM 0 H ARG A 53 -4.862 2.652 9.045 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.886 1.171 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.398 0.730 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.484 0.570 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.491 -1.046 6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.768 -1.030 8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.981 -2.909 7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.193 -1.683 7.974 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.283 -1.532 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.304 -3.385 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.384 -3.958 6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.674 -2.271 3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.029 -3.330 4.005 1.00 0.00 H new ATOM 798 N GLY A 54 -4.548 3.193 5.433 1.00 0.00 N ATOM 799 CA GLY A 54 -4.982 4.316 4.622 1.00 0.00 C ATOM 800 C GLY A 54 -4.391 4.285 3.227 1.00 0.00 C ATOM 801 O GLY A 54 -3.447 3.541 2.960 1.00 0.00 O ATOM 0 H GLY A 54 -3.663 2.774 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.070 4.311 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.698 5.247 5.113 1.00 0.00 H new ATOM 805 N VAL A 55 -4.948 5.095 2.332 1.00 0.00 N ATOM 806 CA VAL A 55 -4.470 5.157 0.955 1.00 0.00 C ATOM 807 C VAL A 55 -3.265 6.083 0.833 1.00 0.00 C ATOM 808 O VAL A 55 -3.002 6.897 1.718 1.00 0.00 O ATOM 809 CB VAL A 55 -5.576 5.642 -0.001 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.750 4.676 0.006 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.028 7.045 0.376 1.00 0.00 C ATOM 0 H VAL A 55 -5.730 5.717 2.535 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.176 4.145 0.675 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.169 5.675 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.521 5.036 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.412 3.691 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.159 4.608 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.810 7.372 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.417 7.041 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.182 7.729 0.314 1.00 0.00 H new ATOM 821 N PHE A 56 -2.537 5.953 -0.271 1.00 0.00 N ATOM 822 CA PHE A 56 -1.358 6.778 -0.510 1.00 0.00 C ATOM 823 C PHE A 56 -0.980 6.771 -1.988 1.00 0.00 C ATOM 824 O PHE A 56 -1.262 5.824 -2.722 1.00 0.00 O ATOM 825 CB PHE A 56 -0.181 6.280 0.332 1.00 0.00 C ATOM 826 CG PHE A 56 0.229 4.871 0.013 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.814 4.564 -1.205 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.030 3.853 0.932 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.194 3.269 -1.501 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.407 2.555 0.641 1.00 0.00 C ATOM 831 CZ PHE A 56 0.989 2.263 -0.577 1.00 0.00 C ATOM 0 H PHE A 56 -2.742 5.285 -1.014 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.596 7.801 -0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.671 6.942 0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.447 6.343 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.975 5.346 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.425 4.076 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.651 3.044 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.247 1.770 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.283 1.250 -0.807 1.00 0.00 H new ATOM 841 N PRO A 57 -0.326 7.853 -2.436 1.00 0.00 N ATOM 842 CA PRO A 57 0.106 7.997 -3.829 1.00 0.00 C ATOM 843 C PRO A 57 1.240 7.042 -4.187 1.00 0.00 C ATOM 844 O PRO A 57 2.377 7.222 -3.749 1.00 0.00 O ATOM 845 CB PRO A 57 0.585 9.448 -3.905 1.00 0.00 C ATOM 846 CG PRO A 57 0.977 9.791 -2.509 1.00 0.00 C ATOM 847 CD PRO A 57 0.044 9.019 -1.616 1.00 0.00 C ATOM 0 HA PRO A 57 -0.695 7.761 -4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.427 9.552 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.204 10.107 -4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.015 9.519 -2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.890 10.863 -2.331 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.532 8.719 -0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.829 9.610 -1.341 1.00 0.00 H new ATOM 855 N ASP A 58 0.924 6.027 -4.983 1.00 0.00 N ATOM 856 CA ASP A 58 1.917 5.044 -5.401 1.00 0.00 C ATOM 857 C ASP A 58 3.194 5.731 -5.877 1.00 0.00 C ATOM 858 O ASP A 58 4.296 5.357 -5.481 1.00 0.00 O ATOM 859 CB ASP A 58 1.354 4.158 -6.513 1.00 0.00 C ATOM 860 CG ASP A 58 2.441 3.562 -7.385 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.555 3.332 -6.870 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.177 3.324 -8.582 1.00 0.00 O ATOM 0 H ASP A 58 -0.013 5.863 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 58 2.160 4.421 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.766 3.354 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.676 4.745 -7.133 1.00 0.00 H new ATOM 867 N ASN A 59 3.035 6.736 -6.732 1.00 0.00 N ATOM 868 CA ASN A 59 4.175 7.473 -7.265 1.00 0.00 C ATOM 869 C ASN A 59 5.179 7.794 -6.161 1.00 0.00 C ATOM 870 O ASN A 59 6.382 7.592 -6.325 1.00 0.00 O ATOM 871 CB ASN A 59 3.705 8.767 -7.933 1.00 0.00 C ATOM 872 CG ASN A 59 4.831 9.495 -8.640 1.00 0.00 C ATOM 873 OD1 ASN A 59 5.587 8.897 -9.407 1.00 0.00 O ATOM 874 ND2 ASN A 59 4.949 10.793 -8.385 1.00 0.00 N ATOM 0 H ASN A 59 2.128 7.059 -7.070 1.00 0.00 H new ATOM 0 HA ASN A 59 4.666 6.845 -8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.918 8.537 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.268 9.423 -7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.688 11.335 -8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.300 11.248 -7.743 1.00 0.00 H new ATOM 881 N PHE A 60 4.676 8.293 -5.038 1.00 0.00 N ATOM 882 CA PHE A 60 5.528 8.642 -3.907 1.00 0.00 C ATOM 883 C PHE A 60 6.363 7.444 -3.465 1.00 0.00 C ATOM 884 O PHE A 60 7.530 7.586 -3.100 1.00 0.00 O ATOM 885 CB PHE A 60 4.680 9.146 -2.738 1.00 0.00 C ATOM 886 CG PHE A 60 4.363 10.612 -2.815 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.725 11.139 -3.927 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.702 11.463 -1.776 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.434 12.488 -4.000 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.413 12.813 -1.844 1.00 0.00 C ATOM 891 CZ PHE A 60 3.776 13.326 -2.957 1.00 0.00 C ATOM 0 H PHE A 60 3.682 8.465 -4.886 1.00 0.00 H new ATOM 0 HA PHE A 60 6.204 9.436 -4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.748 8.582 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.206 8.945 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.452 10.489 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.198 11.067 -0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.939 12.887 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.685 13.466 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.546 14.380 -3.011 1.00 0.00 H new ATOM 901 N VAL A 61 5.755 6.262 -3.501 1.00 0.00 N ATOM 902 CA VAL A 61 6.441 5.037 -3.105 1.00 0.00 C ATOM 903 C VAL A 61 6.863 4.225 -4.324 1.00 0.00 C ATOM 904 O VAL A 61 6.579 4.599 -5.462 1.00 0.00 O ATOM 905 CB VAL A 61 5.552 4.163 -2.202 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.049 4.963 -1.010 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.389 3.588 -2.996 1.00 0.00 C ATOM 0 H VAL A 61 4.789 6.127 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 61 7.328 5.337 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 61 6.152 3.334 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.422 4.328 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.898 5.322 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.465 5.813 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.771 2.973 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.789 4.402 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.773 2.977 -3.813 1.00 0.00 H new ATOM 917 N LYS A 62 7.543 3.110 -4.079 1.00 0.00 N ATOM 918 CA LYS A 62 8.004 2.242 -5.156 1.00 0.00 C ATOM 919 C LYS A 62 7.905 0.774 -4.751 1.00 0.00 C ATOM 920 O LYS A 62 7.905 0.445 -3.564 1.00 0.00 O ATOM 921 CB LYS A 62 9.448 2.582 -5.530 1.00 0.00 C ATOM 922 CG LYS A 62 9.568 3.755 -6.488 1.00 0.00 C ATOM 923 CD LYS A 62 9.459 3.306 -7.936 1.00 0.00 C ATOM 924 CE LYS A 62 9.585 4.481 -8.894 1.00 0.00 C ATOM 925 NZ LYS A 62 9.157 4.119 -10.274 1.00 0.00 N ATOM 0 H LYS A 62 7.787 2.786 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 62 7.363 2.407 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.006 2.807 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.914 1.706 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.786 4.484 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.523 4.257 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.238 2.575 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.502 2.808 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.979 5.312 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.619 4.825 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.258 4.946 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.752 3.343 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.163 3.815 -10.260 1.00 0.00 H new ATOM 939 N LEU A 63 7.821 -0.104 -5.745 1.00 0.00 N ATOM 940 CA LEU A 63 7.723 -1.537 -5.493 1.00 0.00 C ATOM 941 C LEU A 63 9.107 -2.177 -5.445 1.00 0.00 C ATOM 942 O LEU A 63 9.905 -2.027 -6.371 1.00 0.00 O ATOM 943 CB LEU A 63 6.875 -2.209 -6.574 1.00 0.00 C ATOM 944 CG LEU A 63 5.376 -2.305 -6.289 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.107 -3.317 -5.186 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.817 -0.941 -5.911 1.00 0.00 C ATOM 0 H LEU A 63 7.819 0.152 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 63 7.243 -1.678 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.013 -1.663 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.259 -3.216 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 63 4.874 -2.643 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.035 -3.372 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.472 -4.297 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.621 -3.008 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.749 -1.028 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.324 -0.575 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.977 -0.242 -6.732 1.00 0.00 H new ATOM 958 N LEU A 64 9.384 -2.894 -4.361 1.00 0.00 N ATOM 959 CA LEU A 64 10.671 -3.560 -4.193 1.00 0.00 C ATOM 960 C LEU A 64 10.667 -4.929 -4.864 1.00 0.00 C ATOM 961 O LEU A 64 9.762 -5.735 -4.648 1.00 0.00 O ATOM 962 CB LEU A 64 11.000 -3.709 -2.706 1.00 0.00 C ATOM 963 CG LEU A 64 10.978 -2.421 -1.882 1.00 0.00 C ATOM 964 CD1 LEU A 64 10.985 -2.740 -0.394 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.160 -1.535 -2.245 1.00 0.00 C ATOM 0 H LEU A 64 8.735 -3.029 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 64 11.435 -2.945 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.291 -4.410 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.989 -4.157 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 64 10.060 -1.880 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.969 -1.812 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.106 -3.334 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.885 -3.303 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.128 -0.623 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.089 -2.068 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.111 -1.278 -3.303 1.00 0.00 H new