USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 452 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 43 ASN : amide:sc= -0.258 K(o=-0.22,f=-5.6!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 154:sc= 0.0351 (180deg=0) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.455 K(o=0.46,f=-0.38) USER MOD Single : A 17 CYS SG : rot -70:sc= 0.0234 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0626 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.244 K(o=0.24,f=-4.7!) USER MOD Single : A 28 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.43) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.681 X(o=-0.68,f=-0.67) USER MOD Single : A 40 GLN : amide:sc= 0.373 X(o=0.37,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.97 K(o=-0.97,f=-4!) USER MOD Single : A 50 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.014) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0833 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ASN A 10 -0.219 0.999 6.490 1.00 0.00 N ATOM 98 CA ASN A 10 0.549 -0.101 5.903 1.00 0.00 C ATOM 99 C ASN A 10 1.029 0.261 4.492 1.00 0.00 C ATOM 100 O ASN A 10 0.959 1.428 4.085 1.00 0.00 O ATOM 101 CB ASN A 10 -0.248 -1.414 5.955 1.00 0.00 C ATOM 102 CG ASN A 10 -0.734 -1.761 7.352 1.00 0.00 C ATOM 103 OD1 ASN A 10 0.053 -2.164 8.208 1.00 0.00 O ATOM 104 ND2 ASN A 10 -2.021 -1.599 7.629 1.00 0.00 N ATOM 0 HA ASN A 10 1.447 -0.264 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.106 -1.338 5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.376 -2.226 5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.372 -1.809 8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.660 -1.264 6.908 1.00 0.00 H new ATOM 111 N LEU A 11 1.548 -0.705 3.736 1.00 0.00 N ATOM 112 CA LEU A 11 1.638 -0.581 2.288 1.00 0.00 C ATOM 113 C LEU A 11 0.225 -0.806 1.726 1.00 0.00 C ATOM 114 O LEU A 11 -0.537 -1.599 2.266 1.00 0.00 O ATOM 115 CB LEU A 11 2.717 -1.555 1.764 1.00 0.00 C ATOM 116 CG LEU A 11 2.649 -1.827 0.266 1.00 0.00 C ATOM 117 CD1 LEU A 11 2.925 -0.551 -0.522 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.694 -2.892 -0.078 1.00 0.00 C ATOM 0 H LEU A 11 1.912 -1.583 4.106 1.00 0.00 H new ATOM 0 HA LEU A 11 1.962 0.406 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.701 -1.150 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.624 -2.501 2.297 1.00 0.00 H new ATOM 0 HG LEU A 11 1.652 -2.178 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.872 -0.764 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.181 0.203 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.919 -0.179 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.662 -3.101 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.686 -2.529 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.479 -3.805 0.477 1.00 0.00 H new ATOM 130 N LYS A 12 -0.154 -0.165 0.617 1.00 0.00 N ATOM 131 CA LYS A 12 -1.285 -0.589 -0.205 1.00 0.00 C ATOM 132 C LYS A 12 -0.767 -0.900 -1.597 1.00 0.00 C ATOM 133 O LYS A 12 0.193 -0.283 -2.066 1.00 0.00 O ATOM 134 CB LYS A 12 -2.357 0.507 -0.251 1.00 0.00 C ATOM 135 CG LYS A 12 -3.133 0.611 1.073 1.00 0.00 C ATOM 136 CD LYS A 12 -4.626 0.362 0.847 1.00 0.00 C ATOM 137 CE LYS A 12 -5.358 0.471 2.182 1.00 0.00 C ATOM 138 NZ LYS A 12 -6.829 0.368 2.080 1.00 0.00 N ATOM 0 H LYS A 12 0.319 0.667 0.264 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.748 -1.478 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.886 1.465 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.053 0.299 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.742 -0.114 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.986 1.599 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.025 1.088 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.781 -0.626 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.996 -0.313 2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.104 1.424 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.249 0.452 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.189 1.132 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.085 -0.552 1.668 1.00 0.00 H new ATOM 152 N ALA A 13 -1.419 -1.835 -2.280 1.00 0.00 N ATOM 153 CA ALA A 13 -1.148 -2.153 -3.668 1.00 0.00 C ATOM 154 C ALA A 13 -2.491 -2.332 -4.368 1.00 0.00 C ATOM 155 O ALA A 13 -3.391 -2.970 -3.827 1.00 0.00 O ATOM 156 CB ALA A 13 -0.230 -3.377 -3.771 1.00 0.00 C ATOM 0 H ALA A 13 -2.163 -2.401 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.606 -1.349 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.038 -3.600 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.713 -3.168 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.712 -4.234 -3.300 1.00 0.00 H new ATOM 162 N GLN A 14 -2.647 -1.718 -5.542 1.00 0.00 N ATOM 163 CA GLN A 14 -3.806 -1.901 -6.392 1.00 0.00 C ATOM 164 C GLN A 14 -3.593 -3.155 -7.255 1.00 0.00 C ATOM 165 O GLN A 14 -2.551 -3.289 -7.898 1.00 0.00 O ATOM 166 CB GLN A 14 -3.998 -0.621 -7.224 1.00 0.00 C ATOM 167 CG GLN A 14 -5.362 -0.638 -7.925 1.00 0.00 C ATOM 168 CD GLN A 14 -5.670 0.639 -8.713 1.00 0.00 C ATOM 169 OE1 GLN A 14 -4.779 1.405 -9.073 1.00 0.00 O ATOM 170 NE2 GLN A 14 -6.935 0.897 -9.013 1.00 0.00 N ATOM 0 H GLN A 14 -1.958 -1.072 -5.927 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.717 -2.060 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.925 0.254 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.202 -0.538 -7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.400 -1.490 -8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.142 -0.790 -7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.671 0.258 -8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.172 1.734 -9.545 1.00 0.00 H new ATOM 179 N ALA A 15 -4.542 -4.091 -7.262 1.00 0.00 N ATOM 180 CA ALA A 15 -4.519 -5.283 -8.098 1.00 0.00 C ATOM 181 C ALA A 15 -4.600 -4.943 -9.587 1.00 0.00 C ATOM 182 O ALA A 15 -5.218 -3.963 -9.998 1.00 0.00 O ATOM 183 CB ALA A 15 -5.648 -6.234 -7.684 1.00 0.00 C ATOM 0 H ALA A 15 -5.370 -4.036 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.563 -5.783 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.624 -7.123 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.516 -6.524 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.608 -5.732 -7.802 1.00 0.00 H new ATOM 189 N LEU A 16 -4.007 -5.808 -10.405 1.00 0.00 N ATOM 190 CA LEU A 16 -3.874 -5.682 -11.856 1.00 0.00 C ATOM 191 C LEU A 16 -4.656 -6.755 -12.611 1.00 0.00 C ATOM 192 O LEU A 16 -4.756 -6.668 -13.835 1.00 0.00 O ATOM 193 CB LEU A 16 -2.393 -5.781 -12.265 1.00 0.00 C ATOM 194 CG LEU A 16 -1.487 -4.681 -11.693 1.00 0.00 C ATOM 195 CD1 LEU A 16 -0.048 -4.925 -12.147 1.00 0.00 C ATOM 196 CD2 LEU A 16 -1.941 -3.286 -12.133 1.00 0.00 C ATOM 0 H LEU A 16 -3.581 -6.666 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.284 -4.708 -12.121 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.008 -6.750 -11.947 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.329 -5.754 -13.353 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.550 -4.721 -10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.598 -4.146 -11.743 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.287 -5.898 -11.787 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.002 -4.906 -13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.275 -2.536 -11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.914 -3.221 -13.221 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.958 -3.108 -11.784 1.00 0.00 H new ATOM 208 N CYS A 17 -5.216 -7.752 -11.926 1.00 0.00 N ATOM 209 CA CYS A 17 -6.033 -8.815 -12.497 1.00 0.00 C ATOM 210 C CYS A 17 -7.053 -9.218 -11.430 1.00 0.00 C ATOM 211 O CYS A 17 -6.797 -8.994 -10.250 1.00 0.00 O ATOM 212 CB CYS A 17 -5.113 -9.992 -12.857 1.00 0.00 C ATOM 213 SG CYS A 17 -5.998 -11.212 -13.869 1.00 0.00 S ATOM 0 H CYS A 17 -5.106 -7.842 -10.916 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.554 -8.498 -13.401 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.241 -9.626 -13.399 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.746 -10.465 -11.946 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.881 -11.824 -13.137 1.00 0.00 H new ATOM 219 N SER A 18 -8.171 -9.830 -11.814 1.00 0.00 N ATOM 220 CA SER A 18 -9.075 -10.504 -10.892 1.00 0.00 C ATOM 221 C SER A 18 -8.507 -11.904 -10.618 1.00 0.00 C ATOM 222 O SER A 18 -8.300 -12.664 -11.572 1.00 0.00 O ATOM 223 CB SER A 18 -10.475 -10.561 -11.513 1.00 0.00 C ATOM 224 OG SER A 18 -10.437 -10.831 -12.901 1.00 0.00 O ATOM 0 H SER A 18 -8.476 -9.871 -12.786 1.00 0.00 H new ATOM 0 HA SER A 18 -9.160 -9.969 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.061 -11.331 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.984 -9.612 -11.344 1.00 0.00 H new ATOM 0 HG SER A 18 -11.351 -10.860 -13.254 1.00 0.00 H new ATOM 230 N TRP A 19 -8.227 -12.262 -9.364 1.00 0.00 N ATOM 231 CA TRP A 19 -7.707 -13.577 -9.005 1.00 0.00 C ATOM 232 C TRP A 19 -8.357 -14.089 -7.720 1.00 0.00 C ATOM 233 O TRP A 19 -8.825 -13.312 -6.890 1.00 0.00 O ATOM 234 CB TRP A 19 -6.187 -13.501 -8.885 1.00 0.00 C ATOM 235 CG TRP A 19 -5.496 -14.822 -8.770 1.00 0.00 C ATOM 236 CD1 TRP A 19 -5.470 -15.778 -9.726 1.00 0.00 C ATOM 237 CD2 TRP A 19 -4.749 -15.360 -7.641 1.00 0.00 C ATOM 238 NE1 TRP A 19 -4.705 -16.844 -9.299 1.00 0.00 N ATOM 239 CE2 TRP A 19 -4.218 -16.626 -8.027 1.00 0.00 C ATOM 240 CE3 TRP A 19 -4.468 -14.910 -6.332 1.00 0.00 C ATOM 241 CZ2 TRP A 19 -3.405 -17.377 -7.170 1.00 0.00 C ATOM 242 CZ3 TRP A 19 -3.691 -15.684 -5.450 1.00 0.00 C ATOM 243 CH2 TRP A 19 -3.157 -16.912 -5.875 1.00 0.00 C ATOM 0 H TRP A 19 -8.357 -11.641 -8.565 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.956 -14.293 -9.788 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.794 -12.977 -9.756 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.936 -12.899 -8.012 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.972 -15.716 -10.680 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.524 -17.682 -9.851 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.855 -13.957 -6.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.973 -18.308 -7.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.505 -15.334 -4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.553 -17.499 -5.199 1.00 0.00 H new ATOM 254 N THR A 20 -8.384 -15.412 -7.559 1.00 0.00 N ATOM 255 CA THR A 20 -9.499 -16.108 -6.920 1.00 0.00 C ATOM 256 C THR A 20 -9.065 -17.070 -5.824 1.00 0.00 C ATOM 257 O THR A 20 -9.794 -18.010 -5.495 1.00 0.00 O ATOM 258 CB THR A 20 -10.273 -16.829 -8.038 1.00 0.00 C ATOM 259 OG1 THR A 20 -9.391 -17.646 -8.787 1.00 0.00 O ATOM 260 CG2 THR A 20 -10.908 -15.814 -8.981 1.00 0.00 C ATOM 0 H THR A 20 -7.634 -16.030 -7.868 1.00 0.00 H new ATOM 0 HA THR A 20 -10.131 -15.384 -6.406 1.00 0.00 H new ATOM 0 HB THR A 20 -11.049 -17.440 -7.577 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.891 -18.103 -9.495 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.452 -16.338 -9.767 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.597 -15.180 -8.423 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.129 -15.197 -9.429 1.00 0.00 H new ATOM 268 N ALA A 21 -7.863 -16.853 -5.305 1.00 0.00 N ATOM 269 CA ALA A 21 -7.126 -17.760 -4.442 1.00 0.00 C ATOM 270 C ALA A 21 -6.893 -19.139 -5.072 1.00 0.00 C ATOM 271 O ALA A 21 -7.437 -19.476 -6.127 1.00 0.00 O ATOM 272 CB ALA A 21 -7.805 -17.851 -3.065 1.00 0.00 C ATOM 0 H ALA A 21 -7.350 -15.990 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.129 -17.342 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.244 -18.534 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.830 -16.863 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.823 -18.221 -3.185 1.00 0.00 H new ATOM 278 N LYS A 22 -5.996 -19.914 -4.446 1.00 0.00 N ATOM 279 CA LYS A 22 -5.520 -21.203 -4.961 1.00 0.00 C ATOM 280 C LYS A 22 -5.058 -22.154 -3.864 1.00 0.00 C ATOM 281 O LYS A 22 -5.185 -23.362 -4.029 1.00 0.00 O ATOM 282 CB LYS A 22 -4.371 -21.014 -5.976 1.00 0.00 C ATOM 283 CG LYS A 22 -4.778 -20.415 -7.334 1.00 0.00 C ATOM 284 CD LYS A 22 -5.693 -21.322 -8.166 1.00 0.00 C ATOM 285 CE LYS A 22 -6.587 -20.517 -9.123 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.502 -21.394 -9.888 1.00 0.00 N ATOM 0 H LYS A 22 -5.575 -19.657 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.382 -21.652 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.615 -20.370 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.902 -21.982 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.283 -19.464 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.878 -20.199 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.085 -22.021 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.318 -21.916 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.169 -19.792 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.963 -19.951 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.088 -20.815 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.946 -22.069 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.115 -21.915 -9.229 1.00 0.00 H new ATOM 300 N LYS A 23 -4.514 -21.657 -2.755 1.00 0.00 N ATOM 301 CA LYS A 23 -4.496 -22.388 -1.498 1.00 0.00 C ATOM 302 C LYS A 23 -5.432 -21.647 -0.570 1.00 0.00 C ATOM 303 O LYS A 23 -5.706 -20.462 -0.773 1.00 0.00 O ATOM 304 CB LYS A 23 -3.086 -22.448 -0.874 1.00 0.00 C ATOM 305 CG LYS A 23 -2.122 -23.435 -1.539 1.00 0.00 C ATOM 306 CD LYS A 23 -2.534 -24.897 -1.311 1.00 0.00 C ATOM 307 CE LYS A 23 -1.489 -25.831 -1.926 1.00 0.00 C ATOM 308 NZ LYS A 23 -2.040 -27.180 -2.167 1.00 0.00 N ATOM 0 H LYS A 23 -4.075 -20.738 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.802 -23.421 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.646 -21.452 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.183 -22.712 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.081 -23.234 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.117 -23.278 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.629 -25.095 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.510 -25.084 -1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.132 -25.410 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.628 -25.902 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.305 -27.786 -2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.358 -27.591 -1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.846 -27.114 -2.821 1.00 0.00 H new ATOM 322 N ASP A 24 -5.786 -22.332 0.504 1.00 0.00 N ATOM 323 CA ASP A 24 -6.661 -21.956 1.609 1.00 0.00 C ATOM 324 C ASP A 24 -6.091 -20.801 2.451 1.00 0.00 C ATOM 325 O ASP A 24 -6.598 -20.522 3.536 1.00 0.00 O ATOM 326 CB ASP A 24 -6.856 -23.190 2.513 1.00 0.00 C ATOM 327 CG ASP A 24 -7.426 -24.446 1.855 1.00 0.00 C ATOM 328 OD1 ASP A 24 -7.271 -24.655 0.631 1.00 0.00 O ATOM 329 OD2 ASP A 24 -7.958 -25.299 2.606 1.00 0.00 O ATOM 0 H ASP A 24 -5.426 -23.276 0.641 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.606 -21.612 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.891 -23.445 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.515 -22.908 3.334 1.00 0.00 H new ATOM 334 N ASN A 25 -5.018 -20.154 1.992 1.00 0.00 N ATOM 335 CA ASN A 25 -4.305 -19.051 2.629 1.00 0.00 C ATOM 336 C ASN A 25 -4.179 -17.864 1.671 1.00 0.00 C ATOM 337 O ASN A 25 -3.447 -16.931 1.988 1.00 0.00 O ATOM 338 CB ASN A 25 -2.905 -19.518 3.088 1.00 0.00 C ATOM 339 CG ASN A 25 -2.908 -20.090 4.495 1.00 0.00 C ATOM 340 OD1 ASN A 25 -2.873 -21.302 4.664 1.00 0.00 O ATOM 341 ND2 ASN A 25 -2.945 -19.259 5.520 1.00 0.00 N ATOM 0 H ASN A 25 -4.595 -20.408 1.099 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.874 -18.729 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.533 -20.272 2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.214 -18.676 3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.945 -19.624 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.974 -18.252 5.359 1.00 0.00 H new ATOM 348 N HIS A 26 -4.787 -17.897 0.477 1.00 0.00 N ATOM 349 CA HIS A 26 -4.576 -16.866 -0.537 1.00 0.00 C ATOM 350 C HIS A 26 -5.718 -15.843 -0.531 1.00 0.00 C ATOM 351 O HIS A 26 -6.845 -16.150 -0.149 1.00 0.00 O ATOM 352 CB HIS A 26 -4.407 -17.494 -1.927 1.00 0.00 C ATOM 353 CG HIS A 26 -3.195 -18.364 -2.151 1.00 0.00 C ATOM 354 ND1 HIS A 26 -2.953 -19.085 -3.299 1.00 0.00 N ATOM 355 CD2 HIS A 26 -2.156 -18.604 -1.292 1.00 0.00 C ATOM 356 CE1 HIS A 26 -1.802 -19.757 -3.139 1.00 0.00 C ATOM 357 NE2 HIS A 26 -1.281 -19.491 -1.931 1.00 0.00 N ATOM 0 H HIS A 26 -5.432 -18.634 0.193 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.655 -16.337 -0.291 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.294 -18.091 -2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.384 -16.688 -2.661 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.034 -18.186 -0.304 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.361 -20.414 -3.873 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.412 -19.865 -1.550 1.00 0.00 H new ATOM 365 N LEU A 27 -5.408 -14.621 -0.965 1.00 0.00 N ATOM 366 CA LEU A 27 -6.327 -13.488 -1.044 1.00 0.00 C ATOM 367 C LEU A 27 -7.105 -13.577 -2.369 1.00 0.00 C ATOM 368 O LEU A 27 -6.585 -14.099 -3.361 1.00 0.00 O ATOM 369 CB LEU A 27 -5.457 -12.214 -0.926 1.00 0.00 C ATOM 370 CG LEU A 27 -6.107 -10.847 -0.637 1.00 0.00 C ATOM 371 CD1 LEU A 27 -6.924 -10.356 -1.824 1.00 0.00 C ATOM 372 CD2 LEU A 27 -6.923 -10.821 0.662 1.00 0.00 C ATOM 0 H LEU A 27 -4.469 -14.385 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.073 -13.477 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.726 -12.396 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.902 -12.116 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.283 -10.150 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.368 -9.390 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.276 -10.252 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.714 -11.074 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.352 -9.829 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.724 -11.558 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.273 -11.058 1.505 1.00 0.00 H new ATOM 384 N ASN A 28 -8.328 -13.038 -2.403 1.00 0.00 N ATOM 385 CA ASN A 28 -9.218 -12.994 -3.566 1.00 0.00 C ATOM 386 C ASN A 28 -9.490 -11.524 -3.875 1.00 0.00 C ATOM 387 O ASN A 28 -10.018 -10.825 -3.006 1.00 0.00 O ATOM 388 CB ASN A 28 -10.566 -13.707 -3.298 1.00 0.00 C ATOM 389 CG ASN A 28 -10.438 -15.002 -2.517 1.00 0.00 C ATOM 390 OD1 ASN A 28 -10.475 -16.095 -3.075 1.00 0.00 O ATOM 391 ND2 ASN A 28 -10.273 -14.901 -1.207 1.00 0.00 N ATOM 0 H ASN A 28 -8.743 -12.600 -1.581 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.738 -13.508 -4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.221 -13.029 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.050 -13.917 -4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.173 -15.742 -0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.245 -13.982 -0.766 1.00 0.00 H new ATOM 398 N PHE A 29 -9.175 -11.043 -5.078 1.00 0.00 N ATOM 399 CA PHE A 29 -9.459 -9.672 -5.507 1.00 0.00 C ATOM 400 C PHE A 29 -9.995 -9.648 -6.935 1.00 0.00 C ATOM 401 O PHE A 29 -9.870 -10.619 -7.684 1.00 0.00 O ATOM 402 CB PHE A 29 -8.225 -8.761 -5.348 1.00 0.00 C ATOM 403 CG PHE A 29 -6.880 -9.296 -5.830 1.00 0.00 C ATOM 404 CD1 PHE A 29 -6.680 -9.676 -7.170 1.00 0.00 C ATOM 405 CD2 PHE A 29 -5.792 -9.360 -4.939 1.00 0.00 C ATOM 406 CE1 PHE A 29 -5.425 -10.147 -7.598 1.00 0.00 C ATOM 407 CE2 PHE A 29 -4.539 -9.834 -5.360 1.00 0.00 C ATOM 408 CZ PHE A 29 -4.357 -10.240 -6.690 1.00 0.00 C ATOM 0 H PHE A 29 -8.709 -11.602 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.236 -9.274 -4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.425 -7.830 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.127 -8.511 -4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.495 -9.606 -7.875 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.923 -9.040 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.282 -10.438 -8.628 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.717 -9.886 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.401 -10.622 -7.015 1.00 0.00 H new ATOM 418 N SER A 30 -10.550 -8.508 -7.323 1.00 0.00 N ATOM 419 CA SER A 30 -10.879 -8.135 -8.678 1.00 0.00 C ATOM 420 C SER A 30 -9.776 -7.232 -9.252 1.00 0.00 C ATOM 421 O SER A 30 -8.853 -6.794 -8.562 1.00 0.00 O ATOM 422 CB SER A 30 -12.229 -7.418 -8.688 1.00 0.00 C ATOM 423 OG SER A 30 -13.285 -8.272 -9.090 1.00 0.00 O ATOM 0 H SER A 30 -10.795 -7.779 -6.653 1.00 0.00 H new ATOM 0 HA SER A 30 -10.949 -9.026 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.439 -7.028 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.179 -6.563 -9.362 1.00 0.00 H new ATOM 0 HG SER A 30 -14.129 -7.775 -9.081 1.00 0.00 H new ATOM 429 N LYS A 31 -9.865 -6.946 -10.554 1.00 0.00 N ATOM 430 CA LYS A 31 -8.958 -6.032 -11.235 1.00 0.00 C ATOM 431 C LYS A 31 -9.203 -4.619 -10.725 1.00 0.00 C ATOM 432 O LYS A 31 -10.340 -4.150 -10.749 1.00 0.00 O ATOM 433 CB LYS A 31 -9.190 -6.168 -12.740 1.00 0.00 C ATOM 434 CG LYS A 31 -8.115 -5.439 -13.545 1.00 0.00 C ATOM 435 CD LYS A 31 -8.351 -5.610 -15.049 1.00 0.00 C ATOM 436 CE LYS A 31 -7.071 -5.954 -15.812 1.00 0.00 C ATOM 437 NZ LYS A 31 -7.368 -6.380 -17.198 1.00 0.00 N ATOM 0 H LYS A 31 -10.576 -7.348 -11.165 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.914 -6.269 -11.032 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.197 -7.223 -13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.171 -5.766 -12.995 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.120 -4.379 -13.290 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.131 -5.826 -13.280 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.088 -6.397 -15.210 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.774 -4.690 -15.453 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.411 -5.086 -15.830 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.538 -6.749 -15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.480 -6.606 -17.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.978 -7.222 -17.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.855 -5.611 -17.701 1.00 0.00 H new ATOM 451 N HIS A 32 -8.118 -3.949 -10.340 1.00 0.00 N ATOM 452 CA HIS A 32 -8.026 -2.577 -9.872 1.00 0.00 C ATOM 453 C HIS A 32 -8.478 -2.404 -8.415 1.00 0.00 C ATOM 454 O HIS A 32 -8.523 -1.271 -7.926 1.00 0.00 O ATOM 455 CB HIS A 32 -8.682 -1.565 -10.818 1.00 0.00 C ATOM 456 CG HIS A 32 -8.496 -1.790 -12.296 1.00 0.00 C ATOM 457 ND1 HIS A 32 -7.332 -1.820 -13.040 1.00 0.00 N ATOM 458 CD2 HIS A 32 -9.541 -1.946 -13.153 1.00 0.00 C ATOM 459 CE1 HIS A 32 -7.685 -1.994 -14.326 1.00 0.00 C ATOM 460 NE2 HIS A 32 -9.024 -2.078 -14.448 1.00 0.00 N ATOM 0 H HIS A 32 -7.202 -4.398 -10.351 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.961 -2.344 -9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.752 -1.551 -10.610 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.297 -0.575 -10.575 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.586 -1.965 -12.882 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.989 -2.058 -15.150 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.554 -2.211 -15.309 1.00 0.00 H new ATOM 468 N ASP A 33 -8.772 -3.496 -7.705 1.00 0.00 N ATOM 469 CA ASP A 33 -9.094 -3.458 -6.279 1.00 0.00 C ATOM 470 C ASP A 33 -7.878 -2.961 -5.508 1.00 0.00 C ATOM 471 O ASP A 33 -6.746 -3.235 -5.893 1.00 0.00 O ATOM 472 CB ASP A 33 -9.457 -4.853 -5.757 1.00 0.00 C ATOM 473 CG ASP A 33 -10.828 -5.349 -6.208 1.00 0.00 C ATOM 474 OD1 ASP A 33 -11.428 -4.753 -7.130 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.263 -6.382 -5.647 1.00 0.00 O ATOM 0 H ASP A 33 -8.793 -4.434 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.946 -2.793 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.699 -5.562 -6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.427 -4.841 -4.667 1.00 0.00 H new ATOM 480 N ILE A 34 -8.080 -2.256 -4.402 1.00 0.00 N ATOM 481 CA ILE A 34 -7.011 -1.774 -3.536 1.00 0.00 C ATOM 482 C ILE A 34 -6.947 -2.721 -2.357 1.00 0.00 C ATOM 483 O ILE A 34 -7.969 -2.970 -1.719 1.00 0.00 O ATOM 484 CB ILE A 34 -7.315 -0.325 -3.103 1.00 0.00 C ATOM 485 CG1 ILE A 34 -7.335 0.639 -4.318 1.00 0.00 C ATOM 486 CG2 ILE A 34 -6.401 0.147 -1.950 1.00 0.00 C ATOM 487 CD1 ILE A 34 -5.984 1.246 -4.647 1.00 0.00 C ATOM 0 H ILE A 34 -9.011 -1.998 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.046 -1.756 -4.042 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.324 -0.309 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.701 0.099 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.044 1.443 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.654 1.173 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.543 -0.500 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.360 0.102 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.082 1.907 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.623 1.816 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.275 0.451 -4.879 1.00 0.00 H new ATOM 499 N ILE A 35 -5.755 -3.228 -2.056 1.00 0.00 N ATOM 500 CA ILE A 35 -5.539 -4.180 -0.984 1.00 0.00 C ATOM 501 C ILE A 35 -4.528 -3.548 -0.037 1.00 0.00 C ATOM 502 O ILE A 35 -3.520 -2.979 -0.473 1.00 0.00 O ATOM 503 CB ILE A 35 -5.113 -5.542 -1.583 1.00 0.00 C ATOM 504 CG1 ILE A 35 -6.076 -6.028 -2.690 1.00 0.00 C ATOM 505 CG2 ILE A 35 -4.884 -6.639 -0.527 1.00 0.00 C ATOM 506 CD1 ILE A 35 -5.487 -5.920 -4.092 1.00 0.00 C ATOM 0 H ILE A 35 -4.903 -2.982 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.439 -4.398 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.144 -5.352 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.347 -7.066 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.996 -5.445 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.588 -7.564 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.096 -6.326 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.805 -6.805 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.214 -6.277 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.242 -4.879 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.583 -6.526 -4.155 1.00 0.00 H new ATOM 518 N THR A 36 -4.831 -3.619 1.253 1.00 0.00 N ATOM 519 CA THR A 36 -3.954 -3.276 2.354 1.00 0.00 C ATOM 520 C THR A 36 -2.895 -4.375 2.372 1.00 0.00 C ATOM 521 O THR A 36 -3.213 -5.516 2.686 1.00 0.00 O ATOM 522 CB THR A 36 -4.807 -3.259 3.638 1.00 0.00 C ATOM 523 OG1 THR A 36 -5.916 -2.385 3.478 1.00 0.00 O ATOM 524 CG2 THR A 36 -4.032 -2.818 4.876 1.00 0.00 C ATOM 0 H THR A 36 -5.747 -3.935 1.571 1.00 0.00 H new ATOM 0 HA THR A 36 -3.475 -2.301 2.267 1.00 0.00 H new ATOM 0 HB THR A 36 -5.131 -4.288 3.793 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.452 -2.383 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.693 -2.829 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.199 -3.500 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.649 -1.809 4.725 1.00 0.00 H new ATOM 532 N VAL A 37 -1.675 -4.090 1.932 1.00 0.00 N ATOM 533 CA VAL A 37 -0.566 -5.022 2.062 1.00 0.00 C ATOM 534 C VAL A 37 -0.190 -5.067 3.547 1.00 0.00 C ATOM 535 O VAL A 37 -0.417 -4.093 4.262 1.00 0.00 O ATOM 536 CB VAL A 37 0.603 -4.585 1.162 1.00 0.00 C ATOM 537 CG1 VAL A 37 1.743 -5.617 1.190 1.00 0.00 C ATOM 538 CG2 VAL A 37 0.136 -4.451 -0.301 1.00 0.00 C ATOM 0 H VAL A 37 -1.429 -3.210 1.478 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.838 -6.025 1.732 1.00 0.00 H new ATOM 0 HB VAL A 37 0.958 -3.627 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.554 -5.280 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.112 -5.724 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.372 -6.579 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.975 -4.141 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.241 -5.412 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.657 -3.705 -0.363 1.00 0.00 H new ATOM 548 N LEU A 38 0.354 -6.189 4.021 1.00 0.00 N ATOM 549 CA LEU A 38 0.616 -6.390 5.444 1.00 0.00 C ATOM 550 C LEU A 38 1.909 -7.153 5.728 1.00 0.00 C ATOM 551 O LEU A 38 2.411 -7.083 6.847 1.00 0.00 O ATOM 552 CB LEU A 38 -0.540 -7.194 6.060 1.00 0.00 C ATOM 553 CG LEU A 38 -1.928 -6.536 6.081 1.00 0.00 C ATOM 554 CD1 LEU A 38 -2.939 -7.632 6.440 1.00 0.00 C ATOM 555 CD2 LEU A 38 -2.009 -5.365 7.070 1.00 0.00 C ATOM 0 H LEU A 38 0.623 -6.978 3.433 1.00 0.00 H new ATOM 0 HA LEU A 38 0.712 -5.395 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.622 -8.135 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.269 -7.441 7.087 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.145 -6.106 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.942 -7.207 6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.899 -8.423 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.695 -8.046 7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.011 -4.936 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.793 -5.723 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.281 -4.603 6.792 1.00 0.00 H new ATOM 567 N GLU A 39 2.437 -7.936 4.785 1.00 0.00 N ATOM 568 CA GLU A 39 3.704 -8.646 4.950 1.00 0.00 C ATOM 569 C GLU A 39 4.252 -8.907 3.549 1.00 0.00 C ATOM 570 O GLU A 39 3.464 -8.999 2.605 1.00 0.00 O ATOM 571 CB GLU A 39 3.467 -9.993 5.668 1.00 0.00 C ATOM 572 CG GLU A 39 4.692 -10.518 6.435 1.00 0.00 C ATOM 573 CD GLU A 39 4.607 -10.408 7.970 1.00 0.00 C ATOM 574 OE1 GLU A 39 3.528 -10.618 8.580 1.00 0.00 O ATOM 575 OE2 GLU A 39 5.678 -10.198 8.579 1.00 0.00 O ATOM 0 H GLU A 39 1.994 -8.095 3.880 1.00 0.00 H new ATOM 0 HA GLU A 39 4.402 -8.058 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.636 -9.880 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.166 -10.738 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.844 -11.564 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.573 -9.972 6.097 1.00 0.00 H new ATOM 582 N GLN A 40 5.563 -9.111 3.377 1.00 0.00 N ATOM 583 CA GLN A 40 6.163 -9.358 2.070 1.00 0.00 C ATOM 584 C GLN A 40 7.156 -10.511 2.177 1.00 0.00 C ATOM 585 O GLN A 40 8.166 -10.387 2.874 1.00 0.00 O ATOM 586 CB GLN A 40 6.832 -8.083 1.517 1.00 0.00 C ATOM 587 CG GLN A 40 5.846 -6.913 1.371 1.00 0.00 C ATOM 588 CD GLN A 40 6.455 -5.716 0.648 1.00 0.00 C ATOM 589 OE1 GLN A 40 7.454 -5.134 1.066 1.00 0.00 O ATOM 590 NE2 GLN A 40 5.896 -5.317 -0.484 1.00 0.00 N ATOM 0 H GLN A 40 6.235 -9.109 4.144 1.00 0.00 H new ATOM 0 HA GLN A 40 5.380 -9.637 1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.645 -7.787 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.276 -8.302 0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.965 -7.252 0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.509 -6.602 2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.067 -5.793 -0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.294 -4.533 -1.001 1.00 0.00 H new ATOM 599 N GLN A 41 6.887 -11.631 1.502 1.00 0.00 N ATOM 600 CA GLN A 41 7.904 -12.610 1.134 1.00 0.00 C ATOM 601 C GLN A 41 8.622 -12.156 -0.131 1.00 0.00 C ATOM 602 O GLN A 41 8.339 -11.103 -0.719 1.00 0.00 O ATOM 603 CB GLN A 41 7.323 -14.038 0.942 1.00 0.00 C ATOM 604 CG GLN A 41 6.704 -14.627 2.221 1.00 0.00 C ATOM 605 CD GLN A 41 7.637 -14.771 3.428 1.00 0.00 C ATOM 606 OE1 GLN A 41 8.292 -13.821 3.852 1.00 0.00 O ATOM 607 NE2 GLN A 41 7.675 -15.923 4.070 1.00 0.00 N ATOM 0 H GLN A 41 5.948 -11.883 1.194 1.00 0.00 H new ATOM 0 HA GLN A 41 8.611 -12.669 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.564 -14.010 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.116 -14.700 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.862 -13.999 2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.300 -15.611 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.135 -16.717 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.244 -16.020 4.911 1.00 0.00 H new ATOM 616 N GLU A 42 9.549 -13.005 -0.555 1.00 0.00 N ATOM 617 CA GLU A 42 10.315 -12.973 -1.780 1.00 0.00 C ATOM 618 C GLU A 42 9.491 -12.556 -3.002 1.00 0.00 C ATOM 619 O GLU A 42 10.013 -11.874 -3.885 1.00 0.00 O ATOM 620 CB GLU A 42 10.934 -14.365 -1.972 1.00 0.00 C ATOM 621 CG GLU A 42 9.994 -15.441 -2.536 1.00 0.00 C ATOM 622 CD GLU A 42 8.969 -15.997 -1.578 1.00 0.00 C ATOM 623 OE1 GLU A 42 9.364 -16.780 -0.690 1.00 0.00 O ATOM 624 OE2 GLU A 42 7.762 -15.751 -1.833 1.00 0.00 O ATOM 0 H GLU A 42 9.804 -13.813 0.013 1.00 0.00 H new ATOM 0 HA GLU A 42 11.088 -12.210 -1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.791 -14.272 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.314 -14.709 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.469 -15.022 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.601 -16.267 -2.906 1.00 0.00 H new ATOM 631 N ASN A 43 8.212 -12.944 -3.058 1.00 0.00 N ATOM 632 CA ASN A 43 7.313 -12.725 -4.187 1.00 0.00 C ATOM 633 C ASN A 43 5.860 -12.690 -3.747 1.00 0.00 C ATOM 634 O ASN A 43 5.074 -11.939 -4.319 1.00 0.00 O ATOM 635 CB ASN A 43 7.443 -13.860 -5.215 1.00 0.00 C ATOM 636 CG ASN A 43 8.448 -13.570 -6.316 1.00 0.00 C ATOM 637 OD1 ASN A 43 8.555 -12.449 -6.803 1.00 0.00 O ATOM 638 ND2 ASN A 43 9.181 -14.569 -6.766 1.00 0.00 N ATOM 0 H ASN A 43 7.762 -13.437 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 43 7.597 -11.767 -4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.735 -14.775 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.467 -14.046 -5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.844 -14.413 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.085 -15.498 -6.355 1.00 0.00 H new ATOM 645 N TRP A 44 5.487 -13.532 -2.784 1.00 0.00 N ATOM 646 CA TRP A 44 4.134 -13.524 -2.243 1.00 0.00 C ATOM 647 C TRP A 44 4.058 -12.424 -1.195 1.00 0.00 C ATOM 648 O TRP A 44 4.960 -12.354 -0.372 1.00 0.00 O ATOM 649 CB TRP A 44 3.821 -14.894 -1.637 1.00 0.00 C ATOM 650 CG TRP A 44 3.623 -15.969 -2.659 1.00 0.00 C ATOM 651 CD1 TRP A 44 4.604 -16.628 -3.309 1.00 0.00 C ATOM 652 CD2 TRP A 44 2.376 -16.468 -3.220 1.00 0.00 C ATOM 653 NE1 TRP A 44 4.052 -17.511 -4.216 1.00 0.00 N ATOM 654 CE2 TRP A 44 2.676 -17.415 -4.241 1.00 0.00 C ATOM 655 CE3 TRP A 44 1.019 -16.185 -2.985 1.00 0.00 C ATOM 656 CZ2 TRP A 44 1.675 -17.995 -5.035 1.00 0.00 C ATOM 657 CZ3 TRP A 44 0.002 -16.783 -3.744 1.00 0.00 C ATOM 658 CH2 TRP A 44 0.333 -17.659 -4.792 1.00 0.00 C ATOM 0 H TRP A 44 6.105 -14.227 -2.364 1.00 0.00 H new ATOM 0 HA TRP A 44 3.398 -13.330 -3.023 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.635 -15.182 -0.971 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.922 -14.815 -1.026 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.662 -16.486 -3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.593 -18.153 -4.795 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.753 -15.491 -2.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.933 -18.689 -5.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.034 -16.571 -3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.447 -18.075 -5.412 1.00 0.00 H new ATOM 669 N TRP A 45 3.022 -11.587 -1.166 1.00 0.00 N ATOM 670 CA TRP A 45 2.791 -10.638 -0.068 1.00 0.00 C ATOM 671 C TRP A 45 1.491 -11.033 0.606 1.00 0.00 C ATOM 672 O TRP A 45 0.625 -11.606 -0.052 1.00 0.00 O ATOM 673 CB TRP A 45 2.750 -9.179 -0.548 1.00 0.00 C ATOM 674 CG TRP A 45 3.916 -8.698 -1.364 1.00 0.00 C ATOM 675 CD1 TRP A 45 5.116 -9.309 -1.480 1.00 0.00 C ATOM 676 CD2 TRP A 45 4.004 -7.499 -2.189 1.00 0.00 C ATOM 677 NE1 TRP A 45 5.924 -8.597 -2.343 1.00 0.00 N ATOM 678 CE2 TRP A 45 5.299 -7.456 -2.785 1.00 0.00 C ATOM 679 CE3 TRP A 45 3.116 -6.452 -2.507 1.00 0.00 C ATOM 680 CZ2 TRP A 45 5.699 -6.430 -3.652 1.00 0.00 C ATOM 681 CZ3 TRP A 45 3.504 -5.413 -3.374 1.00 0.00 C ATOM 682 CH2 TRP A 45 4.794 -5.399 -3.942 1.00 0.00 C ATOM 0 H TRP A 45 2.317 -11.544 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 45 3.622 -10.688 0.636 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.844 -9.041 -1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 45 2.661 -8.536 0.328 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.400 -10.219 -0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 45 6.864 -8.881 -2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.124 -6.447 -2.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.687 -6.433 -4.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.808 -4.620 -3.606 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.085 -4.594 -4.601 1.00 0.00 H new ATOM 693 N PHE A 46 1.376 -10.779 1.901 1.00 0.00 N ATOM 694 CA PHE A 46 0.139 -10.935 2.637 1.00 0.00 C ATOM 695 C PHE A 46 -0.579 -9.598 2.560 1.00 0.00 C ATOM 696 O PHE A 46 0.054 -8.541 2.450 1.00 0.00 O ATOM 697 CB PHE A 46 0.456 -11.308 4.088 1.00 0.00 C ATOM 698 CG PHE A 46 -0.727 -11.658 4.969 1.00 0.00 C ATOM 699 CD1 PHE A 46 -1.524 -12.773 4.651 1.00 0.00 C ATOM 700 CD2 PHE A 46 -0.981 -10.937 6.154 1.00 0.00 C ATOM 701 CE1 PHE A 46 -2.581 -13.152 5.496 1.00 0.00 C ATOM 702 CE2 PHE A 46 -2.053 -11.303 6.987 1.00 0.00 C ATOM 703 CZ PHE A 46 -2.841 -12.418 6.664 1.00 0.00 C ATOM 0 H PHE A 46 2.154 -10.454 2.475 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.487 -11.726 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.139 -12.157 4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.988 -10.474 4.546 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.323 -13.340 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.351 -10.102 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.192 -14.007 5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.270 -10.727 7.874 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.650 -12.712 7.316 1.00 0.00 H new ATOM 713 N GLY A 47 -1.898 -9.619 2.661 1.00 0.00 N ATOM 714 CA GLY A 47 -2.680 -8.410 2.675 1.00 0.00 C ATOM 715 C GLY A 47 -4.127 -8.716 2.974 1.00 0.00 C ATOM 716 O GLY A 47 -4.493 -9.865 3.228 1.00 0.00 O ATOM 0 H GLY A 47 -2.448 -10.475 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.285 -7.724 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.601 -7.908 1.711 1.00 0.00 H new ATOM 720 N GLU A 48 -4.928 -7.660 2.961 1.00 0.00 N ATOM 721 CA GLU A 48 -6.308 -7.637 3.364 1.00 0.00 C ATOM 722 C GLU A 48 -7.091 -6.736 2.419 1.00 0.00 C ATOM 723 O GLU A 48 -6.686 -5.601 2.158 1.00 0.00 O ATOM 724 CB GLU A 48 -6.382 -7.147 4.815 1.00 0.00 C ATOM 725 CG GLU A 48 -7.809 -6.941 5.329 1.00 0.00 C ATOM 726 CD GLU A 48 -7.815 -6.532 6.803 1.00 0.00 C ATOM 727 OE1 GLU A 48 -7.623 -5.334 7.100 1.00 0.00 O ATOM 728 OE2 GLU A 48 -8.001 -7.396 7.689 1.00 0.00 O ATOM 0 H GLU A 48 -4.602 -6.746 2.648 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.750 -8.632 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.876 -7.867 5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.837 -6.207 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.305 -6.174 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.380 -7.861 5.202 1.00 0.00 H new ATOM 735 N VAL A 49 -8.221 -7.229 1.922 1.00 0.00 N ATOM 736 CA VAL A 49 -9.198 -6.413 1.203 1.00 0.00 C ATOM 737 C VAL A 49 -10.582 -6.988 1.488 1.00 0.00 C ATOM 738 O VAL A 49 -10.716 -8.178 1.782 1.00 0.00 O ATOM 739 CB VAL A 49 -8.814 -6.315 -0.289 1.00 0.00 C ATOM 740 CG1 VAL A 49 -8.628 -7.667 -0.963 1.00 0.00 C ATOM 741 CG2 VAL A 49 -9.722 -5.444 -1.155 1.00 0.00 C ATOM 0 H VAL A 49 -8.488 -8.210 2.006 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.210 -5.378 1.545 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.852 -5.806 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.360 -7.518 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.834 -8.218 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.557 -8.234 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.358 -5.448 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.738 -5.838 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.719 -4.423 -0.773 1.00 0.00 H new ATOM 751 N HIS A 50 -11.610 -6.138 1.478 1.00 0.00 N ATOM 752 CA HIS A 50 -12.965 -6.465 1.923 1.00 0.00 C ATOM 753 C HIS A 50 -13.013 -6.943 3.385 1.00 0.00 C ATOM 754 O HIS A 50 -13.993 -7.578 3.788 1.00 0.00 O ATOM 755 CB HIS A 50 -13.628 -7.495 0.994 1.00 0.00 C ATOM 756 CG HIS A 50 -13.369 -7.291 -0.473 1.00 0.00 C ATOM 757 ND1 HIS A 50 -13.555 -6.138 -1.206 1.00 0.00 N ATOM 758 CD2 HIS A 50 -12.826 -8.230 -1.299 1.00 0.00 C ATOM 759 CE1 HIS A 50 -13.138 -6.383 -2.458 1.00 0.00 C ATOM 760 NE2 HIS A 50 -12.690 -7.646 -2.556 1.00 0.00 N ATOM 0 H HIS A 50 -11.520 -5.176 1.151 1.00 0.00 H new ATOM 0 HA HIS A 50 -13.534 -5.536 1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.281 -8.490 1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.705 -7.474 1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.552 -9.239 -1.029 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.159 -5.669 -3.268 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.320 -8.093 -3.394 1.00 0.00 H new ATOM 768 N GLY A 51 -11.966 -6.700 4.180 1.00 0.00 N ATOM 769 CA GLY A 51 -11.841 -7.261 5.519 1.00 0.00 C ATOM 770 C GLY A 51 -11.637 -8.780 5.516 1.00 0.00 C ATOM 771 O GLY A 51 -11.909 -9.421 6.532 1.00 0.00 O ATOM 0 H GLY A 51 -11.182 -6.107 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.001 -6.788 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.737 -7.021 6.092 1.00 0.00 H new ATOM 775 N GLY A 52 -11.188 -9.365 4.402 1.00 0.00 N ATOM 776 CA GLY A 52 -10.642 -10.712 4.329 1.00 0.00 C ATOM 777 C GLY A 52 -9.156 -10.612 4.014 1.00 0.00 C ATOM 778 O GLY A 52 -8.714 -9.618 3.446 1.00 0.00 O ATOM 0 H GLY A 52 -11.197 -8.893 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.795 -11.235 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.155 -11.288 3.559 1.00 0.00 H new ATOM 782 N ARG A 53 -8.378 -11.628 4.376 1.00 0.00 N ATOM 783 CA ARG A 53 -6.916 -11.648 4.315 1.00 0.00 C ATOM 784 C ARG A 53 -6.432 -12.841 3.500 1.00 0.00 C ATOM 785 O ARG A 53 -7.199 -13.774 3.270 1.00 0.00 O ATOM 786 CB ARG A 53 -6.313 -11.723 5.731 1.00 0.00 C ATOM 787 CG ARG A 53 -6.279 -10.399 6.476 1.00 0.00 C ATOM 788 CD ARG A 53 -5.989 -10.565 7.971 1.00 0.00 C ATOM 789 NE ARG A 53 -6.195 -9.276 8.638 1.00 0.00 N ATOM 790 CZ ARG A 53 -6.055 -8.968 9.924 1.00 0.00 C ATOM 791 NH1 ARG A 53 -5.740 -9.866 10.845 1.00 0.00 N ATOM 792 NH2 ARG A 53 -6.235 -7.716 10.295 1.00 0.00 N ATOM 0 H ARG A 53 -8.765 -12.500 4.736 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.589 -10.726 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.886 -12.440 6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.297 -12.110 5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.518 -9.757 6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.236 -9.892 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.645 -11.322 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.965 -10.908 8.121 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.486 -8.509 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.594 -10.840 10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.643 -9.584 11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.476 -7.008 9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.133 -7.455 11.276 1.00 0.00 H new ATOM 806 N GLY A 54 -5.159 -12.819 3.107 1.00 0.00 N ATOM 807 CA GLY A 54 -4.479 -13.933 2.475 1.00 0.00 C ATOM 808 C GLY A 54 -3.205 -13.473 1.771 1.00 0.00 C ATOM 809 O GLY A 54 -2.925 -12.278 1.658 1.00 0.00 O ATOM 0 H GLY A 54 -4.562 -12.001 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.232 -14.685 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.145 -14.408 1.754 1.00 0.00 H new ATOM 813 N TRP A 55 -2.423 -14.436 1.290 1.00 0.00 N ATOM 814 CA TRP A 55 -1.222 -14.236 0.491 1.00 0.00 C ATOM 815 C TRP A 55 -1.564 -14.051 -0.981 1.00 0.00 C ATOM 816 O TRP A 55 -2.566 -14.592 -1.456 1.00 0.00 O ATOM 817 CB TRP A 55 -0.308 -15.454 0.651 1.00 0.00 C ATOM 818 CG TRP A 55 0.373 -15.500 1.970 1.00 0.00 C ATOM 819 CD1 TRP A 55 -0.065 -16.146 3.074 1.00 0.00 C ATOM 820 CD2 TRP A 55 1.561 -14.767 2.370 1.00 0.00 C ATOM 821 NE1 TRP A 55 0.782 -15.874 4.126 1.00 0.00 N ATOM 822 CE2 TRP A 55 1.791 -15.010 3.756 1.00 0.00 C ATOM 823 CE3 TRP A 55 2.446 -13.878 1.720 1.00 0.00 C ATOM 824 CZ2 TRP A 55 2.841 -14.400 4.453 1.00 0.00 C ATOM 825 CZ3 TRP A 55 3.434 -13.212 2.424 1.00 0.00 C ATOM 826 CH2 TRP A 55 3.668 -13.479 3.785 1.00 0.00 C ATOM 0 H TRP A 55 -2.621 -15.423 1.456 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.719 -13.334 0.840 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.896 -16.362 0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.443 -15.444 -0.139 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.941 -16.776 3.123 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.676 -16.264 5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.350 -13.716 0.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.014 -14.634 5.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.037 -12.473 1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 55 4.472 -12.984 4.310 1.00 0.00 H new ATOM 837 N PHE A 56 -0.697 -13.377 -1.740 1.00 0.00 N ATOM 838 CA PHE A 56 -0.915 -13.251 -3.192 1.00 0.00 C ATOM 839 C PHE A 56 0.398 -12.961 -3.930 1.00 0.00 C ATOM 840 O PHE A 56 1.274 -12.324 -3.340 1.00 0.00 O ATOM 841 CB PHE A 56 -1.991 -12.187 -3.481 1.00 0.00 C ATOM 842 CG PHE A 56 -1.760 -10.842 -2.830 1.00 0.00 C ATOM 843 CD1 PHE A 56 -2.240 -10.607 -1.530 1.00 0.00 C ATOM 844 CD2 PHE A 56 -1.059 -9.830 -3.509 1.00 0.00 C ATOM 845 CE1 PHE A 56 -2.020 -9.370 -0.912 1.00 0.00 C ATOM 846 CE2 PHE A 56 -0.818 -8.600 -2.873 1.00 0.00 C ATOM 847 CZ PHE A 56 -1.294 -8.366 -1.573 1.00 0.00 C ATOM 0 H PHE A 56 0.144 -12.919 -1.390 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.282 -14.204 -3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.057 -12.044 -4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.956 -12.571 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.780 -11.382 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.707 -9.997 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.411 -9.187 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.263 -7.830 -3.388 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.103 -7.421 -1.085 1.00 0.00 H new ATOM 857 N PRO A 57 0.585 -13.422 -5.186 1.00 0.00 N ATOM 858 CA PRO A 57 1.778 -13.115 -5.975 1.00 0.00 C ATOM 859 C PRO A 57 1.805 -11.629 -6.340 1.00 0.00 C ATOM 860 O PRO A 57 0.826 -11.122 -6.894 1.00 0.00 O ATOM 861 CB PRO A 57 1.687 -13.956 -7.256 1.00 0.00 C ATOM 862 CG PRO A 57 0.515 -14.908 -7.046 1.00 0.00 C ATOM 863 CD PRO A 57 -0.332 -14.240 -5.970 1.00 0.00 C ATOM 0 HA PRO A 57 2.683 -13.340 -5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.525 -13.323 -8.129 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.612 -14.507 -7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.052 -15.049 -7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.856 -15.893 -6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.117 -13.628 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.824 -14.984 -5.343 1.00 0.00 H new ATOM 871 N LYS A 58 2.918 -10.931 -6.097 1.00 0.00 N ATOM 872 CA LYS A 58 2.937 -9.481 -6.305 1.00 0.00 C ATOM 873 C LYS A 58 2.802 -9.077 -7.767 1.00 0.00 C ATOM 874 O LYS A 58 2.411 -7.951 -8.044 1.00 0.00 O ATOM 875 CB LYS A 58 4.159 -8.841 -5.628 1.00 0.00 C ATOM 876 CG LYS A 58 5.314 -8.619 -6.607 1.00 0.00 C ATOM 877 CD LYS A 58 6.692 -8.487 -5.954 1.00 0.00 C ATOM 878 CE LYS A 58 7.566 -9.582 -6.535 1.00 0.00 C ATOM 879 NZ LYS A 58 8.981 -9.478 -6.133 1.00 0.00 N ATOM 0 H LYS A 58 3.795 -11.333 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 58 2.045 -9.085 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.870 -7.887 -5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.495 -9.480 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.339 -9.450 -7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.113 -7.717 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.121 -7.505 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.617 -8.588 -4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.177 -10.551 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.502 -9.549 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.422 -10.419 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.481 -8.838 -6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.040 -9.103 -5.165 1.00 0.00 H new ATOM 893 N SER A 59 3.116 -9.971 -8.704 1.00 0.00 N ATOM 894 CA SER A 59 3.030 -9.697 -10.130 1.00 0.00 C ATOM 895 C SER A 59 1.575 -9.435 -10.569 1.00 0.00 C ATOM 896 O SER A 59 1.313 -9.022 -11.701 1.00 0.00 O ATOM 897 CB SER A 59 3.668 -10.868 -10.893 1.00 0.00 C ATOM 898 OG SER A 59 3.454 -12.122 -10.253 1.00 0.00 O ATOM 0 H SER A 59 3.440 -10.914 -8.488 1.00 0.00 H new ATOM 0 HA SER A 59 3.578 -8.784 -10.363 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.258 -10.905 -11.902 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.739 -10.692 -10.990 1.00 0.00 H new ATOM 0 HG SER A 59 3.877 -12.833 -10.778 1.00 0.00 H new ATOM 904 N TYR A 60 0.607 -9.702 -9.688 1.00 0.00 N ATOM 905 CA TYR A 60 -0.813 -9.518 -9.909 1.00 0.00 C ATOM 906 C TYR A 60 -1.258 -8.158 -9.361 1.00 0.00 C ATOM 907 O TYR A 60 -2.448 -7.866 -9.433 1.00 0.00 O ATOM 908 CB TYR A 60 -1.599 -10.668 -9.247 1.00 0.00 C ATOM 909 CG TYR A 60 -1.419 -12.069 -9.831 1.00 0.00 C ATOM 910 CD1 TYR A 60 -0.137 -12.612 -10.041 1.00 0.00 C ATOM 911 CD2 TYR A 60 -2.545 -12.872 -10.109 1.00 0.00 C ATOM 912 CE1 TYR A 60 0.033 -13.914 -10.516 1.00 0.00 C ATOM 913 CE2 TYR A 60 -2.387 -14.187 -10.591 1.00 0.00 C ATOM 914 CZ TYR A 60 -1.092 -14.720 -10.782 1.00 0.00 C ATOM 915 OH TYR A 60 -0.916 -15.996 -11.223 1.00 0.00 O ATOM 0 H TYR A 60 0.812 -10.070 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.018 -9.535 -10.979 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.321 -10.704 -8.194 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.659 -10.419 -9.289 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.734 -12.009 -9.830 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.537 -12.476 -9.951 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.027 -14.303 -10.680 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.256 -14.788 -10.815 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.790 -16.419 -11.358 1.00 0.00 H new ATOM 925 N VAL A 61 -0.360 -7.330 -8.809 1.00 0.00 N ATOM 926 CA VAL A 61 -0.680 -6.039 -8.210 1.00 0.00 C ATOM 927 C VAL A 61 0.397 -5.002 -8.575 1.00 0.00 C ATOM 928 O VAL A 61 1.425 -5.335 -9.163 1.00 0.00 O ATOM 929 CB VAL A 61 -0.886 -6.182 -6.680 1.00 0.00 C ATOM 930 CG1 VAL A 61 -1.792 -7.356 -6.255 1.00 0.00 C ATOM 931 CG2 VAL A 61 0.433 -6.340 -5.900 1.00 0.00 C ATOM 0 H VAL A 61 0.635 -7.552 -8.769 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.623 -5.675 -8.617 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.376 -5.241 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.877 -7.375 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.782 -7.229 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.359 -8.294 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.217 -6.435 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.955 -7.232 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.061 -5.465 -6.066 1.00 0.00 H new ATOM 941 N LYS A 62 0.192 -3.737 -8.201 1.00 0.00 N ATOM 942 CA LYS A 62 1.191 -2.673 -8.241 1.00 0.00 C ATOM 943 C LYS A 62 1.126 -1.907 -6.925 1.00 0.00 C ATOM 944 O LYS A 62 0.039 -1.660 -6.412 1.00 0.00 O ATOM 945 CB LYS A 62 0.959 -1.740 -9.442 1.00 0.00 C ATOM 946 CG LYS A 62 -0.443 -1.096 -9.475 1.00 0.00 C ATOM 947 CD LYS A 62 -0.595 -0.022 -10.551 1.00 0.00 C ATOM 948 CE LYS A 62 0.297 1.177 -10.221 1.00 0.00 C ATOM 949 NZ LYS A 62 -0.067 2.366 -11.009 1.00 0.00 N ATOM 0 H LYS A 62 -0.710 -3.416 -7.849 1.00 0.00 H new ATOM 0 HA LYS A 62 2.185 -3.104 -8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.710 -0.950 -9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.110 -2.305 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.188 -1.874 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.655 -0.656 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.325 -0.430 -11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.636 0.295 -10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.217 1.407 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.338 0.919 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.561 3.156 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.034 2.155 -12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.053 2.628 -10.806 1.00 0.00 H new ATOM 963 N ILE A 63 2.274 -1.543 -6.358 1.00 0.00 N ATOM 964 CA ILE A 63 2.343 -0.632 -5.218 1.00 0.00 C ATOM 965 C ILE A 63 1.817 0.740 -5.642 1.00 0.00 C ATOM 966 O ILE A 63 1.827 1.084 -6.829 1.00 0.00 O ATOM 967 CB ILE A 63 3.780 -0.631 -4.651 1.00 0.00 C ATOM 968 CG1 ILE A 63 3.959 -1.935 -3.850 1.00 0.00 C ATOM 969 CG2 ILE A 63 4.167 0.636 -3.867 1.00 0.00 C ATOM 970 CD1 ILE A 63 5.167 -1.974 -2.907 1.00 0.00 C ATOM 0 H ILE A 63 3.185 -1.872 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 63 1.703 -0.958 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 63 4.486 -0.601 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.057 -2.106 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.043 -2.763 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.192 0.543 -3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.088 1.506 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.495 0.757 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.197 -2.935 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.083 -1.841 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.081 -1.173 -2.172 1.00 0.00 H new ATOM 982 N ILE A 64 1.313 1.496 -4.663 1.00 0.00 N ATOM 983 CA ILE A 64 0.746 2.816 -4.857 1.00 0.00 C ATOM 984 C ILE A 64 1.474 3.798 -3.924 1.00 0.00 C ATOM 985 O ILE A 64 1.762 3.445 -2.781 1.00 0.00 O ATOM 986 CB ILE A 64 -0.771 2.847 -4.578 1.00 0.00 C ATOM 987 CG1 ILE A 64 -1.473 1.485 -4.677 1.00 0.00 C ATOM 988 CG2 ILE A 64 -1.462 3.818 -5.549 1.00 0.00 C ATOM 989 CD1 ILE A 64 -2.849 1.581 -4.047 1.00 0.00 C ATOM 0 H ILE A 64 1.292 1.191 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 64 0.881 3.101 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.862 3.173 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.559 1.183 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.882 0.721 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.533 3.835 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.052 4.819 -5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.292 3.490 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.349 0.615 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.750 1.864 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.438 2.333 -4.572 1.00 0.00 H new ATOM 1001 N PRO A 65 1.736 5.032 -4.382 1.00 0.00 N ATOM 1002 CA PRO A 65 2.505 6.017 -3.638 1.00 0.00 C ATOM 1003 C PRO A 65 1.669 6.905 -2.707 1.00 0.00 C ATOM 1004 O PRO A 65 2.247 7.653 -1.915 1.00 0.00 O ATOM 1005 CB PRO A 65 3.204 6.861 -4.710 1.00 0.00 C ATOM 1006 CG PRO A 65 2.257 6.787 -5.906 1.00 0.00 C ATOM 1007 CD PRO A 65 1.587 5.426 -5.764 1.00 0.00 C ATOM 0 HA PRO A 65 3.195 5.512 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.350 7.889 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.189 6.462 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.526 7.595 -5.887 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.798 6.869 -6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.534 5.483 -6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.051 4.695 -6.427 1.00 0.00 H new