USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 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 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 50 CYS SG : rot 180:sc= -0.198 USER MOD Set 2.2: A 59 THR OG1 : rot -64:sc= 0.0506 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2.43 X(o=-2.4,f=-2.8!) USER MOD Single : A 14 HIS : no HD1:sc= -3.45! K(o=-3.4!,f=-1.8) USER MOD Single : A 16 ASN : amide:sc= -0.444 K(o=-0.44,f=0.32) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 88:sc= 0.0138 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 90:sc= -0.0692 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.944! C(o=-0.94!,f=-1.7!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc=0.000666 USER MOD Single : A 65 ASN : amide:sc= -2.71! C(o=-2.7!,f=-7.2!) USER MOD Single : A 71 THR OG1 : rot 119:sc= 0.066 USER MOD Single : A 73 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.55) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.23) USER MOD Single : A 93 TYR OH : rot 150:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0705) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 103 HIS : no HD1:sc= -0.894 K(o=-0.89,f=-0.14) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 1.972 -1.018 -11.781 1.00 0.00 N ATOM 114 CA CYS A 11 3.000 -0.034 -11.461 1.00 0.00 C ATOM 115 C CYS A 11 2.840 0.473 -10.032 1.00 0.00 C ATOM 116 O CYS A 11 3.556 1.377 -9.600 1.00 0.00 O ATOM 117 CB CYS A 11 2.937 1.138 -12.441 1.00 0.00 C ATOM 118 SG CYS A 11 3.139 0.663 -14.174 1.00 0.00 S ATOM 0 HA CYS A 11 3.972 -0.519 -11.549 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.979 1.645 -12.324 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.713 1.858 -12.180 1.00 0.00 H new ATOM 0 HG CYS A 11 3.069 1.722 -14.925 1.00 0.00 H new ATOM 124 N TRP A 12 1.896 -0.112 -9.304 1.00 0.00 N ATOM 125 CA TRP A 12 1.641 0.282 -7.923 1.00 0.00 C ATOM 126 C TRP A 12 1.941 -0.865 -6.965 1.00 0.00 C ATOM 127 O TRP A 12 1.414 -0.912 -5.854 1.00 0.00 O ATOM 128 CB TRP A 12 0.189 0.733 -7.760 1.00 0.00 C ATOM 129 CG TRP A 12 -0.772 -0.039 -8.612 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.290 0.344 -9.816 1.00 0.00 C ATOM 131 CD2 TRP A 12 -1.331 -1.325 -8.324 1.00 0.00 C ATOM 132 NE1 TRP A 12 -2.138 -0.626 -10.294 1.00 0.00 N ATOM 133 CE2 TRP A 12 -2.179 -1.661 -9.398 1.00 0.00 C ATOM 134 CE3 TRP A 12 -1.196 -2.227 -7.265 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.888 -2.859 -9.440 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.900 -3.415 -7.308 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.737 -3.723 -8.389 1.00 0.00 C ATOM 0 H TRP A 12 1.294 -0.861 -9.647 1.00 0.00 H new ATOM 0 HA TRP A 12 2.302 1.114 -7.681 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -0.101 0.630 -6.714 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.115 1.792 -8.009 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.066 1.273 -10.319 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.653 -0.582 -11.173 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.553 -1.999 -6.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.534 -3.098 -10.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.804 -4.119 -6.494 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.273 -4.660 -8.393 1.00 0.00 H new ATOM 148 N ASN A 13 2.791 -1.789 -7.402 1.00 0.00 N ATOM 149 CA ASN A 13 3.160 -2.937 -6.582 1.00 0.00 C ATOM 150 C ASN A 13 4.592 -3.376 -6.874 1.00 0.00 C ATOM 151 O ASN A 13 4.867 -3.984 -7.909 1.00 0.00 O ATOM 152 CB ASN A 13 2.197 -4.099 -6.831 1.00 0.00 C ATOM 153 CG ASN A 13 2.164 -5.081 -5.676 1.00 0.00 C ATOM 154 OD1 ASN A 13 3.201 -5.422 -5.107 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.969 -5.541 -5.324 1.00 0.00 N ATOM 0 H ASN A 13 3.237 -1.765 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 13 3.096 -2.640 -5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.194 -3.706 -6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.491 -4.622 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.884 -6.204 -4.554 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.136 -5.231 -5.824 1.00 0.00 H new ATOM 162 N HIS A 14 5.500 -3.065 -5.955 1.00 0.00 N ATOM 163 CA HIS A 14 6.904 -3.429 -6.113 1.00 0.00 C ATOM 164 C HIS A 14 7.142 -4.874 -5.684 1.00 0.00 C ATOM 165 O HIS A 14 7.658 -5.683 -6.454 1.00 0.00 O ATOM 166 CB HIS A 14 7.791 -2.489 -5.296 1.00 0.00 C ATOM 167 CG HIS A 14 7.711 -1.059 -5.733 1.00 0.00 C ATOM 168 ND1 HIS A 14 8.824 -0.277 -5.958 1.00 0.00 N ATOM 169 CD2 HIS A 14 6.641 -0.270 -5.989 1.00 0.00 C ATOM 170 CE1 HIS A 14 8.442 0.931 -6.331 1.00 0.00 C ATOM 171 NE2 HIS A 14 7.122 0.962 -6.358 1.00 0.00 N ATOM 0 H HIS A 14 5.289 -2.562 -5.093 1.00 0.00 H new ATOM 0 HA HIS A 14 7.162 -3.335 -7.168 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.507 -2.556 -4.246 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.825 -2.825 -5.368 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.602 -0.556 -5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.098 1.754 -6.573 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.553 1.769 -6.612 1.00 0.00 H new ATOM 180 N GLY A 15 6.764 -5.190 -4.449 1.00 0.00 N ATOM 181 CA GLY A 15 6.946 -6.536 -3.939 1.00 0.00 C ATOM 182 C GLY A 15 7.499 -6.552 -2.528 1.00 0.00 C ATOM 183 O GLY A 15 7.075 -5.769 -1.679 1.00 0.00 O ATOM 0 H GLY A 15 6.335 -4.538 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.991 -7.060 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.622 -7.082 -4.597 1.00 0.00 H new ATOM 187 N ASN A 16 8.448 -7.448 -2.276 1.00 0.00 N ATOM 188 CA ASN A 16 9.058 -7.564 -0.956 1.00 0.00 C ATOM 189 C ASN A 16 10.057 -6.436 -0.718 1.00 0.00 C ATOM 190 O ASN A 16 11.243 -6.568 -1.021 1.00 0.00 O ATOM 191 CB ASN A 16 9.758 -8.917 -0.812 1.00 0.00 C ATOM 192 CG ASN A 16 10.356 -9.401 -2.119 1.00 0.00 C ATOM 193 OD1 ASN A 16 11.329 -8.835 -2.616 1.00 0.00 O ATOM 194 ND2 ASN A 16 9.774 -10.454 -2.683 1.00 0.00 N ATOM 0 H ASN A 16 8.811 -8.104 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 16 8.267 -7.490 -0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.546 -8.837 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.044 -9.655 -0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.132 -10.824 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.969 -10.892 -2.236 1.00 0.00 H new ATOM 201 N ILE A 17 9.569 -5.327 -0.172 1.00 0.00 N ATOM 202 CA ILE A 17 10.418 -4.176 0.109 1.00 0.00 C ATOM 203 C ILE A 17 10.372 -3.807 1.588 1.00 0.00 C ATOM 204 O ILE A 17 9.390 -4.081 2.278 1.00 0.00 O ATOM 205 CB ILE A 17 10.002 -2.951 -0.727 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.513 -2.657 -0.535 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.316 -3.183 -2.198 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.070 -1.350 -1.154 1.00 0.00 C ATOM 0 H ILE A 17 8.590 -5.201 0.085 1.00 0.00 H new ATOM 0 HA ILE A 17 11.435 -4.461 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 17 10.571 -2.086 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.932 -3.471 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.289 -2.639 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.016 -2.309 -2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.386 -3.349 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.770 -4.057 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.004 -1.207 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.625 -0.527 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.262 -1.372 -2.227 1.00 0.00 H new ATOM 220 N THR A 18 11.442 -3.182 2.070 1.00 0.00 N ATOM 221 CA THR A 18 11.525 -2.774 3.466 1.00 0.00 C ATOM 222 C THR A 18 10.956 -1.374 3.665 1.00 0.00 C ATOM 223 O THR A 18 10.989 -0.546 2.755 1.00 0.00 O ATOM 224 CB THR A 18 12.978 -2.802 3.975 1.00 0.00 C ATOM 225 OG1 THR A 18 13.015 -2.486 5.371 1.00 0.00 O ATOM 226 CG2 THR A 18 13.841 -1.815 3.203 1.00 0.00 C ATOM 0 H THR A 18 12.264 -2.947 1.513 1.00 0.00 H new ATOM 0 HA THR A 18 10.934 -3.488 4.039 1.00 0.00 H new ATOM 0 HB THR A 18 13.374 -3.805 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.942 -2.508 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.863 -1.853 3.580 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.835 -2.076 2.145 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.444 -0.808 3.330 1.00 0.00 H new ATOM 234 N ARG A 19 10.435 -1.116 4.860 1.00 0.00 N ATOM 235 CA ARG A 19 9.859 0.185 5.178 1.00 0.00 C ATOM 236 C ARG A 19 10.670 1.309 4.541 1.00 0.00 C ATOM 237 O ARG A 19 10.145 2.100 3.756 1.00 0.00 O ATOM 238 CB ARG A 19 9.796 0.383 6.693 1.00 0.00 C ATOM 239 CG ARG A 19 8.791 1.437 7.129 1.00 0.00 C ATOM 240 CD ARG A 19 8.531 1.373 8.626 1.00 0.00 C ATOM 241 NE ARG A 19 9.572 2.053 9.391 1.00 0.00 N ATOM 242 CZ ARG A 19 9.675 1.984 10.714 1.00 0.00 C ATOM 243 NH1 ARG A 19 8.805 1.269 11.414 1.00 0.00 N ATOM 244 NH2 ARG A 19 10.651 2.631 11.339 1.00 0.00 N ATOM 0 H ARG A 19 10.400 -1.791 5.624 1.00 0.00 H new ATOM 0 HA ARG A 19 8.848 0.215 4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.542 -0.566 7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.785 0.664 7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.163 2.427 6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.855 1.294 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.565 1.827 8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.473 0.331 8.940 1.00 0.00 H new ATOM 0 HE ARG A 19 10.257 2.611 8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.054 0.770 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.887 1.218 12.429 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.322 3.182 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.730 2.578 12.355 1.00 0.00 H new ATOM 258 N SER A 20 11.952 1.375 4.884 1.00 0.00 N ATOM 259 CA SER A 20 12.835 2.405 4.349 1.00 0.00 C ATOM 260 C SER A 20 12.625 2.575 2.848 1.00 0.00 C ATOM 261 O SER A 20 12.422 3.686 2.359 1.00 0.00 O ATOM 262 CB SER A 20 14.296 2.052 4.634 1.00 0.00 C ATOM 263 OG SER A 20 15.173 3.003 4.054 1.00 0.00 O ATOM 0 H SER A 20 12.403 0.727 5.530 1.00 0.00 H new ATOM 0 HA SER A 20 12.593 3.347 4.841 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.460 2.011 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.517 1.060 4.239 1.00 0.00 H new ATOM 0 HG SER A 20 16.101 2.756 4.252 1.00 0.00 H new ATOM 269 N LYS A 21 12.675 1.464 2.120 1.00 0.00 N ATOM 270 CA LYS A 21 12.489 1.487 0.674 1.00 0.00 C ATOM 271 C LYS A 21 11.137 2.092 0.309 1.00 0.00 C ATOM 272 O LYS A 21 11.013 2.799 -0.691 1.00 0.00 O ATOM 273 CB LYS A 21 12.597 0.071 0.103 1.00 0.00 C ATOM 274 CG LYS A 21 12.178 -0.031 -1.353 1.00 0.00 C ATOM 275 CD LYS A 21 13.339 0.258 -2.289 1.00 0.00 C ATOM 276 CE LYS A 21 13.415 1.735 -2.643 1.00 0.00 C ATOM 277 NZ LYS A 21 14.644 2.056 -3.421 1.00 0.00 N ATOM 0 H LYS A 21 12.843 0.536 2.508 1.00 0.00 H new ATOM 0 HA LYS A 21 13.274 2.108 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.626 -0.274 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.978 -0.600 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.789 -1.030 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.368 0.671 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.272 -0.053 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.229 -0.330 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.535 2.016 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.398 2.329 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.659 3.072 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.484 1.812 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.648 1.508 -4.305 1.00 0.00 H new ATOM 291 N ALA A 22 10.128 1.811 1.126 1.00 0.00 N ATOM 292 CA ALA A 22 8.787 2.331 0.890 1.00 0.00 C ATOM 293 C ALA A 22 8.727 3.833 1.147 1.00 0.00 C ATOM 294 O ALA A 22 8.343 4.606 0.271 1.00 0.00 O ATOM 295 CB ALA A 22 7.777 1.603 1.766 1.00 0.00 C ATOM 0 H ALA A 22 10.214 1.226 1.957 1.00 0.00 H new ATOM 0 HA ALA A 22 8.536 2.158 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.780 2.001 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.792 0.539 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.035 1.747 2.815 1.00 0.00 H new ATOM 301 N GLU A 23 9.108 4.238 2.355 1.00 0.00 N ATOM 302 CA GLU A 23 9.096 5.648 2.726 1.00 0.00 C ATOM 303 C GLU A 23 9.989 6.463 1.795 1.00 0.00 C ATOM 304 O GLU A 23 9.659 7.593 1.435 1.00 0.00 O ATOM 305 CB GLU A 23 9.559 5.820 4.174 1.00 0.00 C ATOM 306 CG GLU A 23 8.718 5.049 5.178 1.00 0.00 C ATOM 307 CD GLU A 23 9.119 5.330 6.613 1.00 0.00 C ATOM 308 OE1 GLU A 23 8.593 6.301 7.197 1.00 0.00 O ATOM 309 OE2 GLU A 23 9.958 4.579 7.152 1.00 0.00 O ATOM 0 H GLU A 23 9.428 3.610 3.092 1.00 0.00 H new ATOM 0 HA GLU A 23 8.073 6.014 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.596 5.495 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.536 6.879 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.668 5.307 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.812 3.981 4.981 1.00 0.00 H new ATOM 316 N GLU A 24 11.120 5.882 1.410 1.00 0.00 N ATOM 317 CA GLU A 24 12.061 6.555 0.522 1.00 0.00 C ATOM 318 C GLU A 24 11.375 6.988 -0.770 1.00 0.00 C ATOM 319 O GLU A 24 11.517 8.129 -1.211 1.00 0.00 O ATOM 320 CB GLU A 24 13.242 5.637 0.203 1.00 0.00 C ATOM 321 CG GLU A 24 14.158 6.178 -0.882 1.00 0.00 C ATOM 322 CD GLU A 24 14.711 7.550 -0.548 1.00 0.00 C ATOM 323 OE1 GLU A 24 14.917 7.829 0.652 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.937 8.343 -1.485 1.00 0.00 O ATOM 0 H GLU A 24 11.407 4.947 1.699 1.00 0.00 H new ATOM 0 HA GLU A 24 12.430 7.444 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.823 5.478 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.861 4.664 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.985 5.484 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.610 6.231 -1.822 1.00 0.00 H new ATOM 331 N LEU A 25 10.630 6.068 -1.374 1.00 0.00 N ATOM 332 CA LEU A 25 9.921 6.352 -2.617 1.00 0.00 C ATOM 333 C LEU A 25 8.960 7.523 -2.440 1.00 0.00 C ATOM 334 O LEU A 25 9.141 8.585 -3.037 1.00 0.00 O ATOM 335 CB LEU A 25 9.154 5.114 -3.084 1.00 0.00 C ATOM 336 CG LEU A 25 10.004 3.896 -3.447 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.207 2.614 -3.257 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.508 4.005 -4.879 1.00 0.00 C ATOM 0 H LEU A 25 10.501 5.119 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 25 10.658 6.622 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.457 4.825 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.557 5.388 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 25 10.866 3.867 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.828 1.757 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.895 2.530 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.326 2.635 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.111 3.130 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.659 4.060 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.115 4.904 -4.983 1.00 0.00 H new ATOM 350 N LEU A 26 7.939 7.324 -1.614 1.00 0.00 N ATOM 351 CA LEU A 26 6.949 8.364 -1.356 1.00 0.00 C ATOM 352 C LEU A 26 7.626 9.701 -1.069 1.00 0.00 C ATOM 353 O LEU A 26 7.323 10.710 -1.705 1.00 0.00 O ATOM 354 CB LEU A 26 6.059 7.967 -0.176 1.00 0.00 C ATOM 355 CG LEU A 26 5.324 6.633 -0.309 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.484 6.361 0.929 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.455 6.625 -1.559 1.00 0.00 C ATOM 0 H LEU A 26 7.775 6.452 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 26 6.332 8.474 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.675 7.931 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.319 8.753 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 26 6.065 5.839 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.968 5.407 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.130 6.323 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.751 7.158 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.939 5.668 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.721 7.429 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.082 6.773 -2.439 1.00 0.00 H new ATOM 369 N SER A 27 8.546 9.699 -0.110 1.00 0.00 N ATOM 370 CA SER A 27 9.265 10.911 0.262 1.00 0.00 C ATOM 371 C SER A 27 9.727 11.671 -0.979 1.00 0.00 C ATOM 372 O SER A 27 9.304 12.801 -1.222 1.00 0.00 O ATOM 373 CB SER A 27 10.469 10.567 1.140 1.00 0.00 C ATOM 374 OG SER A 27 10.094 10.466 2.503 1.00 0.00 O ATOM 0 H SER A 27 8.811 8.871 0.424 1.00 0.00 H new ATOM 0 HA SER A 27 8.584 11.549 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.907 9.625 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.236 11.333 1.026 1.00 0.00 H new ATOM 0 HG SER A 27 9.800 9.551 2.694 1.00 0.00 H new ATOM 380 N ARG A 28 10.599 11.041 -1.760 1.00 0.00 N ATOM 381 CA ARG A 28 11.120 11.656 -2.974 1.00 0.00 C ATOM 382 C ARG A 28 10.037 12.464 -3.682 1.00 0.00 C ATOM 383 O ARG A 28 10.145 13.683 -3.819 1.00 0.00 O ATOM 384 CB ARG A 28 11.671 10.585 -3.918 1.00 0.00 C ATOM 385 CG ARG A 28 13.048 10.076 -3.522 1.00 0.00 C ATOM 386 CD ARG A 28 13.375 8.762 -4.215 1.00 0.00 C ATOM 387 NE ARG A 28 14.815 8.558 -4.348 1.00 0.00 N ATOM 388 CZ ARG A 28 15.364 7.776 -5.271 1.00 0.00 C ATOM 389 NH1 ARG A 28 14.598 7.129 -6.138 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.683 7.641 -5.329 1.00 0.00 N ATOM 0 H ARG A 28 10.959 10.105 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 28 11.927 12.332 -2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.977 9.745 -3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.720 10.993 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.801 10.821 -3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.090 9.939 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.942 7.936 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.914 8.748 -5.203 1.00 0.00 H new ATOM 0 HE ARG A 28 15.433 9.042 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.584 7.231 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.023 6.529 -6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.276 8.138 -4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.103 7.040 -6.038 1.00 0.00 H new ATOM 404 N THR A 29 8.991 11.777 -4.132 1.00 0.00 N ATOM 405 CA THR A 29 7.889 12.429 -4.828 1.00 0.00 C ATOM 406 C THR A 29 7.406 13.656 -4.062 1.00 0.00 C ATOM 407 O THR A 29 7.407 14.768 -4.588 1.00 0.00 O ATOM 408 CB THR A 29 6.705 11.466 -5.033 1.00 0.00 C ATOM 409 OG1 THR A 29 7.143 10.291 -5.725 1.00 0.00 O ATOM 410 CG2 THR A 29 5.590 12.138 -5.819 1.00 0.00 C ATOM 0 H THR A 29 8.884 10.768 -4.026 1.00 0.00 H new ATOM 0 HA THR A 29 8.268 12.738 -5.802 1.00 0.00 H new ATOM 0 HB THR A 29 6.319 11.187 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.385 9.683 -5.850 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.765 11.438 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.239 13.015 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.966 12.444 -6.795 1.00 0.00 H new ATOM 418 N GLY A 30 6.993 13.445 -2.816 1.00 0.00 N ATOM 419 CA GLY A 30 6.512 14.544 -1.998 1.00 0.00 C ATOM 420 C GLY A 30 5.203 15.115 -2.506 1.00 0.00 C ATOM 421 O GLY A 30 5.096 16.315 -2.756 1.00 0.00 O ATOM 0 H GLY A 30 6.983 12.533 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.381 14.199 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.264 15.332 -1.975 1.00 0.00 H new ATOM 425 N LYS A 31 4.204 14.253 -2.660 1.00 0.00 N ATOM 426 CA LYS A 31 2.894 14.677 -3.141 1.00 0.00 C ATOM 427 C LYS A 31 1.780 14.062 -2.301 1.00 0.00 C ATOM 428 O LYS A 31 1.906 12.939 -1.812 1.00 0.00 O ATOM 429 CB LYS A 31 2.716 14.285 -4.610 1.00 0.00 C ATOM 430 CG LYS A 31 3.435 15.209 -5.578 1.00 0.00 C ATOM 431 CD LYS A 31 2.890 15.069 -6.989 1.00 0.00 C ATOM 432 CE LYS A 31 3.909 15.517 -8.026 1.00 0.00 C ATOM 433 NZ LYS A 31 3.283 15.738 -9.359 1.00 0.00 N ATOM 0 H LYS A 31 4.276 13.256 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 31 2.835 15.762 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.081 13.268 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.653 14.278 -4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.327 16.241 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.501 14.983 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.615 14.030 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.981 15.662 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.386 16.438 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.693 14.765 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.010 16.042 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.849 14.853 -9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.552 16.474 -9.282 1.00 0.00 H new ATOM 447 N ASP A 32 0.690 14.803 -2.137 1.00 0.00 N ATOM 448 CA ASP A 32 -0.448 14.329 -1.358 1.00 0.00 C ATOM 449 C ASP A 32 -1.406 13.524 -2.230 1.00 0.00 C ATOM 450 O ASP A 32 -2.432 14.035 -2.678 1.00 0.00 O ATOM 451 CB ASP A 32 -1.185 15.509 -0.723 1.00 0.00 C ATOM 452 CG ASP A 32 -1.342 16.676 -1.678 1.00 0.00 C ATOM 453 OD1 ASP A 32 -1.977 16.493 -2.738 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.830 17.772 -1.367 1.00 0.00 O ATOM 0 H ASP A 32 0.570 15.735 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.071 13.679 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.170 15.181 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.642 15.839 0.163 1.00 0.00 H new ATOM 459 N GLY A 33 -1.063 12.262 -2.468 1.00 0.00 N ATOM 460 CA GLY A 33 -1.903 11.407 -3.287 1.00 0.00 C ATOM 461 C GLY A 33 -1.189 10.145 -3.730 1.00 0.00 C ATOM 462 O GLY A 33 -1.827 9.158 -4.093 1.00 0.00 O ATOM 0 H GLY A 33 -0.219 11.816 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.797 11.137 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.233 11.961 -4.166 1.00 0.00 H new ATOM 466 N SER A 34 0.140 10.178 -3.701 1.00 0.00 N ATOM 467 CA SER A 34 0.942 9.030 -4.109 1.00 0.00 C ATOM 468 C SER A 34 0.545 7.784 -3.323 1.00 0.00 C ATOM 469 O SER A 34 0.061 7.876 -2.194 1.00 0.00 O ATOM 470 CB SER A 34 2.430 9.323 -3.905 1.00 0.00 C ATOM 471 OG SER A 34 2.984 9.961 -5.042 1.00 0.00 O ATOM 0 H SER A 34 0.684 10.987 -3.399 1.00 0.00 H new ATOM 0 HA SER A 34 0.757 8.845 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.562 9.957 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.964 8.393 -3.710 1.00 0.00 H new ATOM 0 HG SER A 34 2.899 10.933 -4.946 1.00 0.00 H new ATOM 477 N PHE A 35 0.752 6.620 -3.928 1.00 0.00 N ATOM 478 CA PHE A 35 0.416 5.354 -3.287 1.00 0.00 C ATOM 479 C PHE A 35 1.135 4.192 -3.966 1.00 0.00 C ATOM 480 O PHE A 35 1.549 4.293 -5.122 1.00 0.00 O ATOM 481 CB PHE A 35 -1.097 5.125 -3.326 1.00 0.00 C ATOM 482 CG PHE A 35 -1.599 4.661 -4.663 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.836 5.569 -5.682 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.834 3.316 -4.901 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.298 5.146 -6.914 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.296 2.887 -6.131 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.529 3.803 -7.138 1.00 0.00 C ATOM 0 H PHE A 35 1.151 6.527 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 35 0.743 5.403 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.364 4.386 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.604 6.052 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.658 6.620 -5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.654 2.595 -4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.478 5.864 -7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.475 1.836 -6.305 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.891 3.470 -8.099 1.00 0.00 H new ATOM 497 N LEU A 36 1.280 3.089 -3.241 1.00 0.00 N ATOM 498 CA LEU A 36 1.950 1.907 -3.771 1.00 0.00 C ATOM 499 C LEU A 36 1.598 0.668 -2.953 1.00 0.00 C ATOM 500 O LEU A 36 0.978 0.766 -1.895 1.00 0.00 O ATOM 501 CB LEU A 36 3.466 2.114 -3.778 1.00 0.00 C ATOM 502 CG LEU A 36 4.150 2.107 -2.410 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.547 0.692 -2.020 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.366 3.022 -2.418 1.00 0.00 C ATOM 0 H LEU A 36 0.942 2.988 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 36 1.606 1.754 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.916 1.334 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.681 3.065 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 36 3.444 2.481 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.032 0.706 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.657 0.064 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.237 0.290 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.841 3.005 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.076 2.678 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.054 4.040 -2.653 1.00 0.00 H new ATOM 516 N VAL A 37 2.002 -0.497 -3.450 1.00 0.00 N ATOM 517 CA VAL A 37 1.732 -1.755 -2.763 1.00 0.00 C ATOM 518 C VAL A 37 3.024 -2.510 -2.474 1.00 0.00 C ATOM 519 O VAL A 37 4.035 -2.315 -3.149 1.00 0.00 O ATOM 520 CB VAL A 37 0.797 -2.657 -3.591 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.564 -3.981 -2.879 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.521 -1.949 -3.863 1.00 0.00 C ATOM 0 H VAL A 37 2.517 -0.596 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 37 1.243 -1.504 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 37 1.275 -2.866 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.099 -4.605 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.517 -4.492 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.107 -3.796 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.170 -2.600 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.007 -1.709 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.333 -1.030 -4.418 1.00 0.00 H new ATOM 532 N ARG A 38 2.984 -3.375 -1.465 1.00 0.00 N ATOM 533 CA ARG A 38 4.153 -4.160 -1.085 1.00 0.00 C ATOM 534 C ARG A 38 3.739 -5.418 -0.327 1.00 0.00 C ATOM 535 O ARG A 38 2.825 -5.386 0.497 1.00 0.00 O ATOM 536 CB ARG A 38 5.099 -3.321 -0.224 1.00 0.00 C ATOM 537 CG ARG A 38 4.441 -2.742 1.018 1.00 0.00 C ATOM 538 CD ARG A 38 5.454 -2.512 2.129 1.00 0.00 C ATOM 539 NE ARG A 38 6.052 -3.761 2.592 1.00 0.00 N ATOM 540 CZ ARG A 38 6.955 -3.828 3.563 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.363 -2.722 4.171 1.00 0.00 N ATOM 542 NH2 ARG A 38 7.453 -5.002 3.929 1.00 0.00 N ATOM 0 H ARG A 38 2.155 -3.550 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 38 4.671 -4.459 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.945 -3.938 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.498 -2.505 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.954 -1.800 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.663 -3.420 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.239 -1.845 1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.967 -2.011 2.966 1.00 0.00 H new ATOM 0 HE ARG A 38 5.760 -4.630 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.983 -1.817 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.057 -2.776 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.142 -5.855 3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.147 -5.051 4.675 1.00 0.00 H new ATOM 556 N ALA A 39 4.418 -6.524 -0.613 1.00 0.00 N ATOM 557 CA ALA A 39 4.122 -7.792 0.042 1.00 0.00 C ATOM 558 C ALA A 39 4.082 -7.631 1.558 1.00 0.00 C ATOM 559 O ALA A 39 4.910 -6.930 2.139 1.00 0.00 O ATOM 560 CB ALA A 39 5.150 -8.842 -0.352 1.00 0.00 C ATOM 0 H ALA A 39 5.176 -6.567 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 39 3.137 -8.122 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.917 -9.784 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.127 -8.986 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.143 -8.510 -0.051 1.00 0.00 H new ATOM 566 N SER A 40 3.113 -8.284 2.193 1.00 0.00 N ATOM 567 CA SER A 40 2.963 -8.209 3.641 1.00 0.00 C ATOM 568 C SER A 40 4.223 -8.702 4.345 1.00 0.00 C ATOM 569 O SER A 40 5.189 -9.107 3.698 1.00 0.00 O ATOM 570 CB SER A 40 1.757 -9.034 4.093 1.00 0.00 C ATOM 571 OG SER A 40 1.663 -9.069 5.507 1.00 0.00 O ATOM 0 H SER A 40 2.421 -8.871 1.727 1.00 0.00 H new ATOM 0 HA SER A 40 2.803 -7.165 3.911 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.844 -8.609 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.842 -10.049 3.706 1.00 0.00 H new ATOM 0 HG SER A 40 0.883 -9.601 5.770 1.00 0.00 H new ATOM 657 N ALA A 46 -0.868 -12.179 1.804 1.00 0.00 N ATOM 658 CA ALA A 46 -1.374 -10.849 2.119 1.00 0.00 C ATOM 659 C ALA A 46 -0.598 -9.774 1.367 1.00 0.00 C ATOM 660 O ALA A 46 0.348 -10.073 0.637 1.00 0.00 O ATOM 661 CB ALA A 46 -1.306 -10.600 3.619 1.00 0.00 C ATOM 0 HA ALA A 46 -2.415 -10.799 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.687 -9.603 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.911 -11.343 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.271 -10.675 3.954 1.00 0.00 H new ATOM 667 N TYR A 47 -1.003 -8.522 1.548 1.00 0.00 N ATOM 668 CA TYR A 47 -0.347 -7.402 0.883 1.00 0.00 C ATOM 669 C TYR A 47 -0.327 -6.170 1.783 1.00 0.00 C ATOM 670 O TYR A 47 -0.744 -6.226 2.940 1.00 0.00 O ATOM 671 CB TYR A 47 -1.057 -7.075 -0.431 1.00 0.00 C ATOM 672 CG TYR A 47 -0.575 -7.901 -1.602 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.655 -7.649 -2.196 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.349 -8.936 -2.113 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.100 -8.400 -3.267 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.912 -9.694 -3.182 1.00 0.00 C ATOM 677 CZ TYR A 47 0.313 -9.422 -3.756 1.00 0.00 C ATOM 678 OH TYR A 47 0.752 -10.174 -4.821 1.00 0.00 O ATOM 0 H TYR A 47 -1.783 -8.257 2.150 1.00 0.00 H new ATOM 0 HA TYR A 47 0.682 -7.691 0.670 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.128 -7.231 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.913 -6.019 -0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.275 -6.851 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.309 -9.151 -1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.058 -8.188 -3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.526 -10.495 -3.566 1.00 0.00 H new ATOM 0 HH TYR A 47 0.080 -10.853 -5.041 1.00 0.00 H new ATOM 688 N ALA A 48 0.162 -5.059 1.243 1.00 0.00 N ATOM 689 CA ALA A 48 0.235 -3.812 1.995 1.00 0.00 C ATOM 690 C ALA A 48 0.190 -2.606 1.063 1.00 0.00 C ATOM 691 O ALA A 48 1.015 -2.477 0.157 1.00 0.00 O ATOM 692 CB ALA A 48 1.499 -3.780 2.842 1.00 0.00 C ATOM 0 H ALA A 48 0.514 -4.997 0.288 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.632 -3.762 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.541 -2.843 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.490 -4.617 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.373 -3.857 2.195 1.00 0.00 H new ATOM 698 N LEU A 49 -0.777 -1.725 1.291 1.00 0.00 N ATOM 699 CA LEU A 49 -0.930 -0.528 0.471 1.00 0.00 C ATOM 700 C LEU A 49 -0.500 0.718 1.239 1.00 0.00 C ATOM 701 O LEU A 49 -1.101 1.071 2.255 1.00 0.00 O ATOM 702 CB LEU A 49 -2.382 -0.382 0.012 1.00 0.00 C ATOM 703 CG LEU A 49 -2.790 1.002 -0.493 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.200 1.263 -1.871 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.306 1.132 -0.527 1.00 0.00 C ATOM 0 H LEU A 49 -1.467 -1.816 2.037 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.288 -0.633 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.565 -1.105 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.034 -0.650 0.844 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.396 1.749 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.501 2.253 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.113 1.213 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.563 0.510 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.578 2.123 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.721 0.376 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.706 0.990 0.477 1.00 0.00 H new ATOM 717 N CYS A 50 0.542 1.379 0.747 1.00 0.00 N ATOM 718 CA CYS A 50 1.052 2.587 1.387 1.00 0.00 C ATOM 719 C CYS A 50 0.522 3.836 0.691 1.00 0.00 C ATOM 720 O CYS A 50 0.293 3.836 -0.519 1.00 0.00 O ATOM 721 CB CYS A 50 2.581 2.590 1.372 1.00 0.00 C ATOM 722 SG CYS A 50 3.334 1.592 2.679 1.00 0.00 S ATOM 0 H CYS A 50 1.050 1.099 -0.092 1.00 0.00 H new ATOM 0 HA CYS A 50 0.706 2.595 2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.925 2.222 0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.933 3.617 1.466 1.00 0.00 H new ATOM 0 HG CYS A 50 4.629 1.656 2.582 1.00 0.00 H new ATOM 728 N VAL A 51 0.327 4.900 1.463 1.00 0.00 N ATOM 729 CA VAL A 51 -0.177 6.157 0.921 1.00 0.00 C ATOM 730 C VAL A 51 0.450 7.352 1.631 1.00 0.00 C ATOM 731 O VAL A 51 0.549 7.377 2.859 1.00 0.00 O ATOM 732 CB VAL A 51 -1.709 6.246 1.044 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.212 7.573 0.496 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.370 5.079 0.326 1.00 0.00 C ATOM 0 H VAL A 51 0.510 4.917 2.466 1.00 0.00 H new ATOM 0 HA VAL A 51 0.097 6.180 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.975 6.191 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.297 7.618 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.764 8.392 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.936 7.661 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.453 5.158 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.098 5.100 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.033 4.142 0.769 1.00 0.00 H new ATOM 744 N LEU A 52 0.871 8.342 0.852 1.00 0.00 N ATOM 745 CA LEU A 52 1.487 9.542 1.406 1.00 0.00 C ATOM 746 C LEU A 52 0.510 10.713 1.390 1.00 0.00 C ATOM 747 O LEU A 52 0.024 11.115 0.332 1.00 0.00 O ATOM 748 CB LEU A 52 2.747 9.903 0.616 1.00 0.00 C ATOM 749 CG LEU A 52 3.712 10.872 1.298 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.518 10.157 2.372 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.637 11.514 0.274 1.00 0.00 C ATOM 0 H LEU A 52 0.797 8.337 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 52 1.761 9.336 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.286 8.983 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.443 10.336 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 52 3.128 11.659 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.199 10.863 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.842 9.746 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.091 9.348 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.317 12.201 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.213 10.739 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.044 12.062 -0.458 1.00 0.00 H new ATOM 763 N TYR A 53 0.229 11.258 2.568 1.00 0.00 N ATOM 764 CA TYR A 53 -0.690 12.383 2.690 1.00 0.00 C ATOM 765 C TYR A 53 -0.038 13.540 3.441 1.00 0.00 C ATOM 766 O TYR A 53 0.335 14.550 2.844 1.00 0.00 O ATOM 767 CB TYR A 53 -1.968 11.949 3.409 1.00 0.00 C ATOM 768 CG TYR A 53 -2.970 13.067 3.591 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.587 13.659 2.495 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.300 13.533 4.858 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.502 14.681 2.656 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.215 14.553 5.028 1.00 0.00 C ATOM 773 CZ TYR A 53 -4.813 15.124 3.924 1.00 0.00 C ATOM 774 OH TYR A 53 -5.725 16.142 4.090 1.00 0.00 O ATOM 0 H TYR A 53 0.625 10.939 3.452 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.944 12.723 1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.436 11.142 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.705 11.545 4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.347 13.314 1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.833 13.090 5.725 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.971 15.131 1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.461 14.902 6.020 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.831 16.333 5.045 1.00 0.00 H new ATOM 784 N ARG A 54 0.096 13.384 4.754 1.00 0.00 N ATOM 785 CA ARG A 54 0.702 14.415 5.588 1.00 0.00 C ATOM 786 C ARG A 54 2.049 13.950 6.134 1.00 0.00 C ATOM 787 O ARG A 54 2.165 13.598 7.307 1.00 0.00 O ATOM 788 CB ARG A 54 -0.231 14.780 6.743 1.00 0.00 C ATOM 789 CG ARG A 54 -1.279 15.818 6.376 1.00 0.00 C ATOM 790 CD ARG A 54 -1.763 16.579 7.600 1.00 0.00 C ATOM 791 NE ARG A 54 -2.441 15.706 8.555 1.00 0.00 N ATOM 792 CZ ARG A 54 -2.779 16.082 9.783 1.00 0.00 C ATOM 793 NH1 ARG A 54 -2.503 17.309 10.204 1.00 0.00 N ATOM 794 NH2 ARG A 54 -3.395 15.231 10.593 1.00 0.00 N ATOM 0 H ARG A 54 -0.207 12.554 5.263 1.00 0.00 H new ATOM 0 HA ARG A 54 0.865 15.298 4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.733 13.878 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.365 15.156 7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.861 16.518 5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.124 15.328 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.914 17.059 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.442 17.372 7.288 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.667 14.755 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.030 17.967 9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.764 17.595 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.610 14.287 10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.654 15.521 11.536 1.00 0.00 H new ATOM 808 N ASN A 55 3.063 13.951 5.275 1.00 0.00 N ATOM 809 CA ASN A 55 4.401 13.528 5.671 1.00 0.00 C ATOM 810 C ASN A 55 4.354 12.192 6.407 1.00 0.00 C ATOM 811 O ASN A 55 5.230 11.887 7.217 1.00 0.00 O ATOM 812 CB ASN A 55 5.051 14.590 6.561 1.00 0.00 C ATOM 813 CG ASN A 55 6.479 14.238 6.931 1.00 0.00 C ATOM 814 OD1 ASN A 55 7.187 13.582 6.167 1.00 0.00 O ATOM 815 ND2 ASN A 55 6.909 14.675 8.109 1.00 0.00 N ATOM 0 H ASN A 55 2.983 14.240 4.300 1.00 0.00 H new ATOM 0 HA ASN A 55 4.998 13.404 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.038 15.550 6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.462 14.709 7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.861 14.470 8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.287 15.216 8.710 1.00 0.00 H new ATOM 822 N CYS A 56 3.327 11.401 6.118 1.00 0.00 N ATOM 823 CA CYS A 56 3.165 10.097 6.752 1.00 0.00 C ATOM 824 C CYS A 56 2.849 9.024 5.715 1.00 0.00 C ATOM 825 O CYS A 56 2.397 9.327 4.610 1.00 0.00 O ATOM 826 CB CYS A 56 2.054 10.151 7.802 1.00 0.00 C ATOM 827 SG CYS A 56 2.624 10.602 9.457 1.00 0.00 S ATOM 0 H CYS A 56 2.594 11.639 5.449 1.00 0.00 H new ATOM 0 HA CYS A 56 4.105 9.839 7.241 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.300 10.869 7.481 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.567 9.177 7.850 1.00 0.00 H new ATOM 0 HG CYS A 56 1.613 10.623 10.274 1.00 0.00 H new ATOM 833 N VAL A 57 3.091 7.768 6.078 1.00 0.00 N ATOM 834 CA VAL A 57 2.833 6.650 5.179 1.00 0.00 C ATOM 835 C VAL A 57 1.746 5.737 5.735 1.00 0.00 C ATOM 836 O VAL A 57 2.003 4.905 6.605 1.00 0.00 O ATOM 837 CB VAL A 57 4.108 5.820 4.935 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.808 4.632 4.033 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.203 6.691 4.337 1.00 0.00 C ATOM 0 H VAL A 57 3.465 7.500 6.988 1.00 0.00 H new ATOM 0 HA VAL A 57 2.498 7.076 4.233 1.00 0.00 H new ATOM 0 HB VAL A 57 4.461 5.438 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.720 4.058 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.058 3.997 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.430 4.989 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.097 6.089 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.862 7.104 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.436 7.505 5.024 1.00 0.00 H new ATOM 849 N TYR A 58 0.529 5.899 5.226 1.00 0.00 N ATOM 850 CA TYR A 58 -0.599 5.091 5.673 1.00 0.00 C ATOM 851 C TYR A 58 -0.546 3.694 5.061 1.00 0.00 C ATOM 852 O TYR A 58 -0.806 3.513 3.872 1.00 0.00 O ATOM 853 CB TYR A 58 -1.919 5.772 5.303 1.00 0.00 C ATOM 854 CG TYR A 58 -2.131 7.099 5.996 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.404 8.223 5.624 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.057 7.228 7.023 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.593 9.437 6.254 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.254 8.439 7.659 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.520 9.540 7.271 1.00 0.00 C ATOM 860 OH TYR A 58 -2.713 10.748 7.902 1.00 0.00 O ATOM 0 H TYR A 58 0.299 6.582 4.504 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.538 4.995 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.949 5.926 4.224 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.744 5.105 5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.678 8.146 4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.633 6.367 7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.019 10.301 5.953 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.979 8.523 8.455 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.401 10.650 8.593 1.00 0.00 H new ATOM 870 N THR A 59 -0.206 2.708 5.885 1.00 0.00 N ATOM 871 CA THR A 59 -0.117 1.327 5.428 1.00 0.00 C ATOM 872 C THR A 59 -1.443 0.598 5.617 1.00 0.00 C ATOM 873 O THR A 59 -2.004 0.585 6.712 1.00 0.00 O ATOM 874 CB THR A 59 0.989 0.558 6.174 1.00 0.00 C ATOM 875 OG1 THR A 59 2.206 1.312 6.158 1.00 0.00 O ATOM 876 CG2 THR A 59 1.223 -0.805 5.541 1.00 0.00 C ATOM 0 H THR A 59 0.012 2.840 6.873 1.00 0.00 H new ATOM 0 HA THR A 59 0.128 1.361 4.366 1.00 0.00 H new ATOM 0 HB THR A 59 0.666 0.411 7.205 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.517 1.411 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.009 -1.329 6.085 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.303 -1.388 5.581 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.526 -0.676 4.502 1.00 0.00 H new ATOM 884 N TYR A 60 -1.938 -0.007 4.543 1.00 0.00 N ATOM 885 CA TYR A 60 -3.199 -0.737 4.591 1.00 0.00 C ATOM 886 C TYR A 60 -2.994 -2.205 4.230 1.00 0.00 C ATOM 887 O TYR A 60 -3.143 -2.598 3.072 1.00 0.00 O ATOM 888 CB TYR A 60 -4.215 -0.103 3.639 1.00 0.00 C ATOM 889 CG TYR A 60 -4.680 1.268 4.075 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.438 1.433 5.227 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.360 2.399 3.334 1.00 0.00 C ATOM 892 CE1 TYR A 60 -5.865 2.684 5.629 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.781 3.654 3.728 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.534 3.791 4.876 1.00 0.00 C ATOM 895 OH TYR A 60 -5.956 5.040 5.273 1.00 0.00 O ATOM 0 H TYR A 60 -1.485 -0.006 3.629 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.582 -0.683 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.772 -0.028 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.080 -0.761 3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.698 0.568 5.819 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.772 2.295 2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.454 2.794 6.527 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.522 4.523 3.141 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.307 5.713 4.980 1.00 0.00 H new ATOM 905 N ARG A 61 -2.651 -3.011 5.229 1.00 0.00 N ATOM 906 CA ARG A 61 -2.424 -4.435 5.018 1.00 0.00 C ATOM 907 C ARG A 61 -3.674 -5.108 4.459 1.00 0.00 C ATOM 908 O ARG A 61 -4.789 -4.832 4.901 1.00 0.00 O ATOM 909 CB ARG A 61 -2.013 -5.108 6.329 1.00 0.00 C ATOM 910 CG ARG A 61 -3.084 -5.049 7.406 1.00 0.00 C ATOM 911 CD ARG A 61 -2.584 -5.624 8.721 1.00 0.00 C ATOM 912 NE ARG A 61 -1.918 -4.616 9.542 1.00 0.00 N ATOM 913 CZ ARG A 61 -1.632 -4.787 10.828 1.00 0.00 C ATOM 914 NH1 ARG A 61 -1.950 -5.921 11.436 1.00 0.00 N ATOM 915 NH2 ARG A 61 -1.025 -3.823 11.508 1.00 0.00 N ATOM 0 H ARG A 61 -2.524 -2.702 6.193 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.618 -4.545 4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.767 -6.151 6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.107 -4.632 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.395 -4.015 7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.963 -5.602 7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.423 -6.046 9.275 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.892 -6.442 8.519 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.658 -3.732 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.415 -6.665 10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.729 -6.050 12.423 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.777 -2.949 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.806 -3.956 12.495 1.00 0.00 H new ATOM 929 N ILE A 62 -3.479 -5.991 3.486 1.00 0.00 N ATOM 930 CA ILE A 62 -4.591 -6.703 2.867 1.00 0.00 C ATOM 931 C ILE A 62 -4.547 -8.190 3.205 1.00 0.00 C ATOM 932 O ILE A 62 -3.761 -8.946 2.633 1.00 0.00 O ATOM 933 CB ILE A 62 -4.584 -6.536 1.336 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.537 -5.053 0.963 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.808 -7.203 0.725 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.132 -4.507 0.833 1.00 0.00 C ATOM 0 H ILE A 62 -2.562 -6.231 3.109 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.507 -6.268 3.267 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.693 -7.020 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.064 -4.907 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.073 -4.479 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.789 -7.076 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.802 -8.266 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.711 -6.745 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.175 -3.451 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.608 -4.621 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.599 -5.055 0.056 1.00 0.00 H new ATOM 948 N LEU A 63 -5.398 -8.603 4.138 1.00 0.00 N ATOM 949 CA LEU A 63 -5.460 -10.001 4.552 1.00 0.00 C ATOM 950 C LEU A 63 -6.362 -10.806 3.621 1.00 0.00 C ATOM 951 O LEU A 63 -7.385 -10.322 3.137 1.00 0.00 O ATOM 952 CB LEU A 63 -5.969 -10.105 5.990 1.00 0.00 C ATOM 953 CG LEU A 63 -4.935 -9.854 7.089 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.972 -11.026 7.192 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.179 -8.561 6.823 1.00 0.00 C ATOM 0 H LEU A 63 -6.054 -7.990 4.622 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.453 -10.415 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.785 -9.394 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.389 -11.101 6.134 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.458 -9.756 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.243 -10.830 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.527 -11.933 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.454 -11.156 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.447 -8.398 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.666 -8.630 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.881 -7.727 6.800 1.00 0.00 H new ATOM 967 N PRO A 64 -5.975 -12.064 3.365 1.00 0.00 N ATOM 968 CA PRO A 64 -6.737 -12.964 2.493 1.00 0.00 C ATOM 969 C PRO A 64 -8.061 -13.393 3.117 1.00 0.00 C ATOM 970 O PRO A 64 -8.225 -13.353 4.335 1.00 0.00 O ATOM 971 CB PRO A 64 -5.808 -14.169 2.329 1.00 0.00 C ATOM 972 CG PRO A 64 -4.950 -14.155 3.547 1.00 0.00 C ATOM 973 CD PRO A 64 -4.766 -12.707 3.907 1.00 0.00 C ATOM 0 HA PRO A 64 -7.008 -12.486 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.374 -15.098 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.209 -14.087 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.421 -14.703 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.990 -14.634 3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.686 -12.568 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.859 -12.295 3.464 1.00 0.00 H new ATOM 981 N ASN A 65 -9.002 -13.803 2.272 1.00 0.00 N ATOM 982 CA ASN A 65 -10.312 -14.239 2.742 1.00 0.00 C ATOM 983 C ASN A 65 -10.541 -15.713 2.420 1.00 0.00 C ATOM 984 O ASN A 65 -9.769 -16.325 1.683 1.00 0.00 O ATOM 985 CB ASN A 65 -11.414 -13.389 2.106 1.00 0.00 C ATOM 986 CG ASN A 65 -11.277 -11.918 2.445 1.00 0.00 C ATOM 987 OD1 ASN A 65 -10.438 -11.214 1.882 1.00 0.00 O ATOM 988 ND2 ASN A 65 -12.104 -11.445 3.371 1.00 0.00 N ATOM 0 H ASN A 65 -8.882 -13.842 1.260 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.344 -14.112 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.386 -13.514 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.386 -13.748 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.059 -10.462 3.641 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.784 -12.064 3.812 1.00 0.00 H new ATOM 995 N GLU A 66 -11.609 -16.275 2.979 1.00 0.00 N ATOM 996 CA GLU A 66 -11.939 -17.677 2.752 1.00 0.00 C ATOM 997 C GLU A 66 -11.946 -18.000 1.260 1.00 0.00 C ATOM 998 O GLU A 66 -11.636 -19.120 0.855 1.00 0.00 O ATOM 999 CB GLU A 66 -13.303 -18.008 3.362 1.00 0.00 C ATOM 1000 CG GLU A 66 -13.301 -18.028 4.881 1.00 0.00 C ATOM 1001 CD GLU A 66 -14.691 -17.883 5.469 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -15.359 -18.918 5.674 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -15.112 -16.735 5.723 1.00 0.00 O ATOM 0 H GLU A 66 -12.259 -15.782 3.591 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.175 -18.286 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.033 -17.276 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.630 -18.981 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.860 -18.963 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.669 -17.221 5.250 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.302 -17.010 0.449 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.349 -17.187 -0.998 1.00 0.00 C ATOM 1012 C ASP A 67 -11.129 -16.556 -1.663 1.00 0.00 C ATOM 1013 O ASP A 67 -11.215 -16.039 -2.777 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.630 -16.574 -1.567 1.00 0.00 C ATOM 1015 CG ASP A 67 -14.784 -17.557 -1.584 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -14.537 -18.757 -1.825 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.934 -17.126 -1.357 1.00 0.00 O ATOM 0 H ASP A 67 -12.562 -16.077 0.769 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.343 -18.256 -1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.907 -15.703 -0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.442 -16.222 -2.581 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.996 -16.600 -0.971 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.759 -16.033 -1.494 1.00 0.00 C ATOM 1024 C ASP A 68 -9.014 -14.673 -2.137 1.00 0.00 C ATOM 1025 O ASP A 68 -8.341 -14.291 -3.095 1.00 0.00 O ATOM 1026 CB ASP A 68 -8.128 -16.982 -2.513 1.00 0.00 C ATOM 1027 CG ASP A 68 -7.457 -18.173 -1.857 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -6.692 -17.967 -0.892 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -7.699 -19.312 -2.309 1.00 0.00 O ATOM 0 H ASP A 68 -9.909 -17.022 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.070 -15.898 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.896 -17.335 -3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.394 -16.437 -3.107 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.990 -13.946 -1.605 1.00 0.00 N ATOM 1035 CA LYS A 69 -10.335 -12.629 -2.125 1.00 0.00 C ATOM 1036 C LYS A 69 -9.407 -11.560 -1.559 1.00 0.00 C ATOM 1037 O LYS A 69 -8.677 -11.803 -0.597 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.789 -12.289 -1.787 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.801 -13.176 -2.491 1.00 0.00 C ATOM 1040 CD LYS A 69 -13.157 -12.635 -3.865 1.00 0.00 C ATOM 1041 CE LYS A 69 -13.993 -13.629 -4.656 1.00 0.00 C ATOM 1042 NZ LYS A 69 -14.745 -12.968 -5.758 1.00 0.00 N ATOM 0 H LYS A 69 -10.557 -14.247 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.216 -12.651 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.932 -12.373 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.982 -11.250 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.397 -14.183 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.703 -13.252 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.707 -11.700 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.244 -12.407 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.344 -14.400 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.694 -14.128 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.302 -13.679 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.383 -12.249 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.076 -12.513 -6.411 1.00 0.00 H new ATOM 1056 N PHE A 70 -9.440 -10.375 -2.159 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.602 -9.268 -1.714 1.00 0.00 C ATOM 1058 C PHE A 70 -9.455 -8.114 -1.194 1.00 0.00 C ATOM 1059 O PHE A 70 -10.195 -7.484 -1.949 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.711 -8.782 -2.859 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.665 -9.780 -3.269 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -5.677 -10.173 -2.381 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -6.671 -10.324 -4.543 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -4.714 -11.090 -2.756 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -5.710 -11.242 -4.924 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.731 -11.626 -4.029 1.00 0.00 C ATOM 0 H PHE A 70 -10.039 -10.157 -2.955 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.972 -9.627 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.336 -8.548 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.221 -7.856 -2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.659 -9.758 -1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.435 -10.028 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.949 -11.387 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.725 -11.658 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.980 -12.344 -4.324 1.00 0.00 H new ATOM 1076 N THR A 71 -9.346 -7.843 0.103 1.00 0.00 N ATOM 1077 CA THR A 71 -10.107 -6.768 0.726 1.00 0.00 C ATOM 1078 C THR A 71 -9.324 -6.128 1.867 1.00 0.00 C ATOM 1079 O THR A 71 -8.795 -6.822 2.736 1.00 0.00 O ATOM 1080 CB THR A 71 -11.457 -7.275 1.267 1.00 0.00 C ATOM 1081 OG1 THR A 71 -12.184 -6.195 1.861 1.00 0.00 O ATOM 1082 CG2 THR A 71 -11.249 -8.379 2.293 1.00 0.00 C ATOM 0 H THR A 71 -8.737 -8.354 0.742 1.00 0.00 H new ATOM 0 HA THR A 71 -10.291 -6.023 -0.048 1.00 0.00 H new ATOM 0 HB THR A 71 -12.028 -7.680 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.028 -6.065 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.216 -8.721 2.661 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.722 -9.213 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.659 -7.995 3.126 1.00 0.00 H new ATOM 1090 N VAL A 72 -9.253 -4.801 1.859 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.535 -4.068 2.895 1.00 0.00 C ATOM 1092 C VAL A 72 -9.264 -4.150 4.231 1.00 0.00 C ATOM 1093 O VAL A 72 -10.493 -4.116 4.282 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.354 -2.587 2.511 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.526 -1.861 3.560 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.713 -2.467 1.137 1.00 0.00 C ATOM 0 H VAL A 72 -9.684 -4.211 1.147 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.554 -4.533 2.991 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.337 -2.118 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.409 -0.816 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.031 -1.917 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.544 -2.329 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.593 -1.414 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.737 -2.952 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.349 -2.949 0.395 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.497 -4.257 5.311 1.00 0.00 N ATOM 1107 CA GLN A 73 -9.070 -4.344 6.649 1.00 0.00 C ATOM 1108 C GLN A 73 -9.182 -2.962 7.284 1.00 0.00 C ATOM 1109 O GLN A 73 -8.984 -2.803 8.488 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.219 -5.257 7.534 1.00 0.00 C ATOM 1111 CG GLN A 73 -7.659 -6.465 6.800 1.00 0.00 C ATOM 1112 CD GLN A 73 -8.690 -7.559 6.607 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -8.774 -8.496 7.401 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -9.483 -7.446 5.548 1.00 0.00 N ATOM 0 H GLN A 73 -7.478 -4.286 5.286 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.071 -4.766 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.393 -4.680 7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.823 -5.600 8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.281 -6.151 5.827 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.812 -6.864 7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.379 -6.653 4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.196 -8.152 5.367 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.501 -1.964 6.466 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.641 -0.596 6.948 1.00 0.00 C ATOM 1125 C ALA A 74 -10.408 -0.554 8.266 1.00 0.00 C ATOM 1126 O ALA A 74 -11.278 -1.388 8.516 1.00 0.00 O ATOM 1127 CB ALA A 74 -10.338 0.263 5.903 1.00 0.00 C ATOM 0 H ALA A 74 -9.667 -2.078 5.466 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.643 -0.196 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.436 1.282 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.750 0.268 4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.328 -0.145 5.698 1.00 0.00 H new ATOM 1210 N ARG A 81 -16.937 -5.344 0.651 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.853 -5.880 -0.703 1.00 0.00 C ATOM 1212 C ARG A 81 -15.582 -6.706 -0.883 1.00 0.00 C ATOM 1213 O ARG A 81 -14.569 -6.454 -0.230 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.886 -4.745 -1.727 1.00 0.00 C ATOM 1215 CG ARG A 81 -18.289 -4.259 -2.054 1.00 0.00 C ATOM 1216 CD ARG A 81 -18.352 -3.627 -3.435 1.00 0.00 C ATOM 1217 NE ARG A 81 -19.670 -3.778 -4.046 1.00 0.00 N ATOM 1218 CZ ARG A 81 -20.086 -4.896 -4.631 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -19.291 -5.955 -4.683 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -21.300 -4.955 -5.164 1.00 0.00 N ATOM 0 HA ARG A 81 -17.714 -6.529 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.300 -3.908 -1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.404 -5.081 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.986 -5.096 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.607 -3.533 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.106 -2.568 -3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.600 -4.084 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.306 -2.981 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.358 -5.913 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.612 -6.812 -5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.914 -4.142 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.619 -5.814 -5.613 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.644 -7.691 -1.772 1.00 0.00 N ATOM 1235 CA PHE A 82 -14.499 -8.555 -2.037 1.00 0.00 C ATOM 1236 C PHE A 82 -14.181 -8.593 -3.529 1.00 0.00 C ATOM 1237 O PHE A 82 -15.056 -8.850 -4.356 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.772 -9.971 -1.526 1.00 0.00 C ATOM 1239 CG PHE A 82 -15.277 -10.011 -0.112 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -14.472 -9.599 0.937 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -16.558 -10.461 0.168 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -14.934 -9.635 2.240 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -17.025 -10.498 1.468 1.00 0.00 C ATOM 1244 CZ PHE A 82 -16.212 -10.085 2.505 1.00 0.00 C ATOM 0 H PHE A 82 -16.475 -7.911 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.637 -8.146 -1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.503 -10.449 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.855 -10.556 -1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -13.472 -9.245 0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.198 -10.786 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -14.296 -9.312 3.049 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.025 -10.850 1.673 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.575 -10.114 3.522 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.922 -8.334 -3.866 1.00 0.00 N ATOM 1255 CA PHE A 83 -12.487 -8.337 -5.258 1.00 0.00 C ATOM 1256 C PHE A 83 -11.682 -9.594 -5.573 1.00 0.00 C ATOM 1257 O PHE A 83 -11.130 -10.234 -4.677 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.647 -7.093 -5.554 1.00 0.00 C ATOM 1259 CG PHE A 83 -12.272 -5.817 -5.066 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -12.107 -5.408 -3.752 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -13.025 -5.028 -5.920 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.681 -4.235 -3.300 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.601 -3.854 -5.473 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.430 -3.457 -4.161 1.00 0.00 C ATOM 0 H PHE A 83 -12.185 -8.119 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.375 -8.327 -5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.667 -7.208 -5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.486 -7.021 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.523 -6.013 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.163 -5.334 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.544 -3.927 -2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.185 -3.247 -6.149 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.881 -2.541 -3.809 1.00 0.00 H new ATOM 1274 N THR A 84 -11.620 -9.944 -6.854 1.00 0.00 N ATOM 1275 CA THR A 84 -10.885 -11.125 -7.290 1.00 0.00 C ATOM 1276 C THR A 84 -9.412 -10.805 -7.513 1.00 0.00 C ATOM 1277 O THR A 84 -8.531 -11.470 -6.967 1.00 0.00 O ATOM 1278 CB THR A 84 -11.475 -11.706 -8.589 1.00 0.00 C ATOM 1279 OG1 THR A 84 -12.891 -11.496 -8.621 1.00 0.00 O ATOM 1280 CG2 THR A 84 -11.175 -13.194 -8.701 1.00 0.00 C ATOM 0 H THR A 84 -12.070 -9.426 -7.608 1.00 0.00 H new ATOM 0 HA THR A 84 -10.977 -11.865 -6.495 1.00 0.00 H new ATOM 0 HB THR A 84 -11.013 -11.194 -9.433 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.258 -11.867 -9.451 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.601 -13.582 -9.626 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.096 -13.348 -8.706 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.613 -13.718 -7.852 1.00 0.00 H new ATOM 1288 N LYS A 85 -9.149 -9.781 -8.318 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.782 -9.370 -8.613 1.00 0.00 C ATOM 1290 C LYS A 85 -7.400 -8.133 -7.806 1.00 0.00 C ATOM 1291 O LYS A 85 -8.262 -7.352 -7.402 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.623 -9.086 -10.108 1.00 0.00 C ATOM 1293 CG LYS A 85 -8.210 -10.168 -10.998 1.00 0.00 C ATOM 1294 CD LYS A 85 -7.684 -10.066 -12.420 1.00 0.00 C ATOM 1295 CE LYS A 85 -8.655 -10.679 -13.419 1.00 0.00 C ATOM 1296 NZ LYS A 85 -8.287 -10.348 -14.823 1.00 0.00 N ATOM 0 H LYS A 85 -9.866 -9.220 -8.778 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.116 -10.186 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.102 -8.135 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.563 -8.974 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.967 -11.149 -10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.297 -10.085 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.514 -9.019 -12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.721 -10.572 -12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.671 -11.762 -13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.663 -10.320 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.972 -10.783 -15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.297 -9.316 -14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.335 -10.713 -15.028 1.00 0.00 H new ATOM 1310 N LEU A 86 -6.103 -7.959 -7.577 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.606 -6.815 -6.820 1.00 0.00 C ATOM 1312 C LEU A 86 -5.962 -5.505 -7.517 1.00 0.00 C ATOM 1313 O LEU A 86 -6.512 -4.592 -6.900 1.00 0.00 O ATOM 1314 CB LEU A 86 -4.090 -6.915 -6.642 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.521 -6.284 -5.371 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -4.245 -4.986 -5.049 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.618 -7.255 -4.203 1.00 0.00 C ATOM 0 H LEU A 86 -5.376 -8.595 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.082 -6.825 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.811 -7.969 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.612 -6.446 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.469 -6.056 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.826 -4.551 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.123 -4.286 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.305 -5.188 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.208 -6.789 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.663 -7.515 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.053 -8.158 -4.433 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.647 -5.421 -8.804 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.936 -4.225 -9.586 1.00 0.00 C ATOM 1331 C ASP A 87 -7.398 -3.817 -9.435 1.00 0.00 C ATOM 1332 O ASP A 87 -7.700 -2.695 -9.028 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.610 -4.462 -11.061 1.00 0.00 C ATOM 1334 CG ASP A 87 -4.403 -5.360 -11.250 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -4.520 -6.574 -10.986 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -3.340 -4.847 -11.661 1.00 0.00 O ATOM 0 H ASP A 87 -5.191 -6.168 -9.329 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.311 -3.416 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.473 -4.910 -11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.427 -3.504 -11.548 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.300 -4.735 -9.766 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.731 -4.469 -9.668 1.00 0.00 C ATOM 1343 C GLN A 88 -10.057 -3.712 -8.386 1.00 0.00 C ATOM 1344 O GLN A 88 -10.891 -2.805 -8.383 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.518 -5.780 -9.715 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.657 -6.357 -11.115 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.476 -5.471 -12.033 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -10.928 -4.707 -12.828 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -12.796 -5.570 -11.928 1.00 0.00 N ATOM 0 H GLN A 88 -8.066 -5.669 -10.104 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.020 -3.849 -10.517 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.025 -6.513 -9.076 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.512 -5.613 -9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.666 -6.501 -11.545 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.124 -7.340 -11.054 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.207 -6.217 -11.255 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.399 -4.999 -12.520 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.396 -4.089 -7.297 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.616 -3.445 -6.007 1.00 0.00 C ATOM 1360 C LEU A 89 -9.105 -2.008 -6.021 1.00 0.00 C ATOM 1361 O LEU A 89 -9.775 -1.096 -5.534 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.922 -4.234 -4.896 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.946 -3.599 -3.505 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.838 -4.667 -2.428 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.823 -2.581 -3.364 1.00 0.00 C ATOM 0 H LEU A 89 -8.703 -4.837 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.689 -3.427 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.387 -5.218 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.882 -4.390 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.897 -3.081 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.857 -4.196 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.677 -5.358 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.903 -5.214 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.855 -2.139 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.863 -3.076 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.946 -1.798 -4.112 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.917 -1.813 -6.583 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.319 -0.487 -6.664 1.00 0.00 C ATOM 1379 C ILE A 90 -8.129 0.427 -7.578 1.00 0.00 C ATOM 1380 O ILE A 90 -8.696 1.423 -7.130 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.869 -0.554 -7.178 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -5.024 -1.452 -6.272 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.270 0.843 -7.256 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -5.018 -1.015 -4.824 1.00 0.00 C ATOM 0 H ILE A 90 -7.350 -2.557 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.319 -0.079 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.874 -0.983 -8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.400 -2.473 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.999 -1.467 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.245 0.779 -7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.861 1.455 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.275 1.297 -6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.399 -1.697 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.614 -0.005 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.037 -1.027 -4.436 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.180 0.079 -8.860 1.00 0.00 N ATOM 1397 CA GLU A 91 -8.921 0.868 -9.836 1.00 0.00 C ATOM 1398 C GLU A 91 -10.165 1.486 -9.204 1.00 0.00 C ATOM 1399 O GLU A 91 -10.547 2.611 -9.528 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.321 -0.001 -11.030 1.00 0.00 C ATOM 1401 CG GLU A 91 -9.337 0.749 -12.351 1.00 0.00 C ATOM 1402 CD GLU A 91 -10.677 1.400 -12.636 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -11.705 0.692 -12.575 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -10.699 2.616 -12.919 1.00 0.00 O ATOM 0 H GLU A 91 -7.717 -0.744 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.272 1.672 -10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.629 -0.839 -11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.311 -0.420 -10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.561 1.514 -12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.093 0.059 -13.159 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.795 0.742 -8.300 1.00 0.00 N ATOM 1412 CA PHE A 92 -11.997 1.215 -7.623 1.00 0.00 C ATOM 1413 C PHE A 92 -11.643 2.201 -6.514 1.00 0.00 C ATOM 1414 O PHE A 92 -12.073 3.355 -6.535 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.778 0.034 -7.042 1.00 0.00 C ATOM 1416 CG PHE A 92 -14.053 0.438 -6.359 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -15.101 0.982 -7.085 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -14.205 0.273 -4.992 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -16.276 1.354 -6.460 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -15.378 0.643 -4.361 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.414 1.185 -5.096 1.00 0.00 C ATOM 0 H PHE A 92 -10.493 -0.191 -8.020 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.620 1.728 -8.356 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.011 -0.667 -7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.145 -0.495 -6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -14.998 1.117 -8.152 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.398 -0.150 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.085 1.776 -7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -15.484 0.508 -3.295 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.331 1.476 -4.605 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.860 1.738 -5.547 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.451 2.578 -4.427 1.00 0.00 C ATOM 1433 C TYR A 93 -9.972 3.942 -4.915 1.00 0.00 C ATOM 1434 O TYR A 93 -9.971 4.918 -4.165 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.342 1.892 -3.627 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.852 0.859 -2.648 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.875 -0.013 -2.998 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.310 0.754 -1.373 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -11.345 -0.958 -2.106 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -9.772 -0.188 -0.475 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.790 -1.042 -0.846 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.254 -1.983 0.044 1.00 0.00 O ATOM 0 H TYR A 93 -10.495 0.786 -5.515 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.317 2.727 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.649 1.413 -4.319 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.777 2.649 -3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.311 0.049 -3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.513 1.421 -1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.142 -1.627 -2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.339 -0.256 0.512 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.527 -2.253 0.643 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.566 4.002 -6.179 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.087 5.245 -6.771 1.00 0.00 C ATOM 1454 C LYS A 94 -10.015 6.405 -6.427 1.00 0.00 C ATOM 1455 O LYS A 94 -9.607 7.566 -6.441 1.00 0.00 O ATOM 1456 CB LYS A 94 -8.975 5.100 -8.290 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.848 4.183 -8.733 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.646 4.234 -10.238 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.310 3.632 -10.642 1.00 0.00 C ATOM 1460 NZ LYS A 94 -6.201 3.462 -12.117 1.00 0.00 N ATOM 0 H LYS A 94 -9.559 3.203 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.101 5.458 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.918 4.717 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.824 6.086 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.924 4.472 -8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.070 3.160 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.454 3.695 -10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.698 5.268 -10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.502 4.273 -10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.185 2.665 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.438 2.789 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.100 3.098 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.988 4.380 -12.557 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.267 6.084 -6.116 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.253 7.098 -5.765 1.00 0.00 C ATOM 1476 C LYS A 95 -12.239 7.376 -4.266 1.00 0.00 C ATOM 1477 O LYS A 95 -12.334 6.455 -3.455 1.00 0.00 O ATOM 1478 CB LYS A 95 -13.651 6.650 -6.198 1.00 0.00 C ATOM 1479 CG LYS A 95 -13.989 7.014 -7.634 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.056 6.095 -8.205 1.00 0.00 C ATOM 1481 CE LYS A 95 -16.450 6.525 -7.774 1.00 0.00 C ATOM 1482 NZ LYS A 95 -17.474 5.494 -8.100 1.00 0.00 N ATOM 0 H LYS A 95 -11.622 5.128 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 95 -11.993 8.018 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.731 5.570 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.389 7.100 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -14.336 8.046 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.090 6.954 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.994 6.096 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.871 5.072 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.456 6.716 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.709 7.463 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.410 5.825 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -17.487 5.330 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.241 4.606 -7.610 1.00 0.00 H new ATOM 1549 N LEU A 100 -10.295 5.617 2.138 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.849 5.760 2.269 1.00 0.00 C ATOM 1551 C LEU A 100 -8.475 7.192 2.639 1.00 0.00 C ATOM 1552 O LEU A 100 -9.183 8.139 2.296 1.00 0.00 O ATOM 1553 CB LEU A 100 -8.158 5.361 0.964 1.00 0.00 C ATOM 1554 CG LEU A 100 -8.051 3.860 0.693 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -7.251 3.603 -0.575 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.418 3.148 1.879 1.00 0.00 C ATOM 0 HA LEU A 100 -8.513 5.099 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.696 5.822 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.153 5.782 0.965 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.056 3.463 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.185 2.530 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.746 4.081 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.248 4.014 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.350 2.081 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.419 3.548 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.031 3.304 2.767 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.355 7.343 3.339 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.884 8.659 3.753 1.00 0.00 C ATOM 1570 C VAL A 101 -7.037 9.677 2.628 1.00 0.00 C ATOM 1571 O VAL A 101 -7.432 10.820 2.859 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.408 8.615 4.193 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.546 7.989 3.107 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.914 10.011 4.540 1.00 0.00 C ATOM 0 H VAL A 101 -6.757 6.570 3.631 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.499 8.962 4.600 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.331 7.995 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.507 7.966 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.887 6.972 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.625 8.579 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.870 9.961 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.004 10.656 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.514 10.417 5.354 1.00 0.00 H new ATOM 1584 N THR A 102 -6.721 9.253 1.408 1.00 0.00 N ATOM 1585 CA THR A 102 -6.823 10.127 0.246 1.00 0.00 C ATOM 1586 C THR A 102 -7.174 9.335 -1.008 1.00 0.00 C ATOM 1587 O THR A 102 -7.125 8.105 -1.012 1.00 0.00 O ATOM 1588 CB THR A 102 -5.510 10.895 0.004 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.645 11.749 -1.137 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.352 9.932 -0.211 1.00 0.00 C ATOM 0 H THR A 102 -6.392 8.310 1.199 1.00 0.00 H new ATOM 0 HA THR A 102 -7.619 10.841 0.456 1.00 0.00 H new ATOM 0 HB THR A 102 -5.300 11.499 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.807 12.235 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.435 10.497 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.233 9.303 0.671 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.557 9.305 -1.079 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.528 10.048 -2.073 1.00 0.00 N ATOM 1599 CA HIS A 103 -7.886 9.411 -3.335 1.00 0.00 C ATOM 1600 C HIS A 103 -6.652 9.198 -4.206 1.00 0.00 C ATOM 1601 O HIS A 103 -5.868 10.122 -4.427 1.00 0.00 O ATOM 1602 CB HIS A 103 -8.914 10.259 -4.085 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.647 11.730 -4.008 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -7.974 12.426 -4.991 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.967 12.640 -3.058 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -7.891 13.699 -4.648 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.487 13.855 -3.479 1.00 0.00 N ATOM 0 H HIS A 103 -7.574 11.067 -2.087 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.323 8.438 -3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.929 9.955 -5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.905 10.056 -3.680 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.501 12.446 -2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.417 14.479 -5.225 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.576 14.735 -2.972 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.484 7.975 -4.697 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.344 7.640 -5.544 1.00 0.00 C ATOM 1618 C LEU A 104 -5.274 8.566 -6.754 1.00 0.00 C ATOM 1619 O LEU A 104 -6.248 8.714 -7.491 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.437 6.185 -6.006 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.736 5.153 -4.918 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.894 3.768 -5.525 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.637 5.153 -3.866 1.00 0.00 C ATOM 0 H LEU A 104 -7.123 7.199 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.435 7.771 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.214 6.116 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.496 5.916 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.674 5.425 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.106 3.047 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.717 3.776 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.973 3.487 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.867 4.413 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.684 4.906 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.571 6.140 -3.408 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.114 9.185 -6.952 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.916 10.096 -8.073 1.00 0.00 C ATOM 1637 C GLN A 105 -2.661 9.728 -8.858 1.00 0.00 C ATOM 1638 O GLN A 105 -2.723 9.465 -10.059 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.816 11.538 -7.575 1.00 0.00 C ATOM 1640 CG GLN A 105 -5.135 12.100 -7.068 1.00 0.00 C ATOM 1641 CD GLN A 105 -5.047 13.572 -6.719 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -5.258 14.438 -7.569 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.733 13.865 -5.462 1.00 0.00 N ATOM 0 H GLN A 105 -3.298 9.072 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.776 10.008 -8.736 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.078 11.587 -6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.449 12.169 -8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.903 11.956 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.449 11.540 -6.187 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.566 13.116 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.659 14.839 -5.169 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.524 9.712 -8.172 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.254 9.380 -8.806 1.00 0.00 C ATOM 1654 C TYR A 106 0.310 8.077 -8.246 1.00 0.00 C ATOM 1655 O TYR A 106 0.952 8.049 -7.196 1.00 0.00 O ATOM 1656 CB TYR A 106 0.753 10.513 -8.603 1.00 0.00 C ATOM 1657 CG TYR A 106 0.134 11.891 -8.661 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.739 12.240 -9.684 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.420 12.844 -7.691 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.306 13.498 -9.741 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.144 14.104 -7.739 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.006 14.427 -8.766 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.571 15.680 -8.819 1.00 0.00 O ATOM 0 H TYR A 106 -1.456 9.925 -7.177 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.433 9.249 -9.873 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.242 10.384 -7.638 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.528 10.440 -9.366 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.978 11.515 -10.448 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.095 12.595 -6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.981 13.753 -10.545 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.089 14.832 -6.976 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.258 16.213 -8.058 1.00 0.00 H new ATOM 1673 N PRO A 107 0.065 6.971 -8.963 1.00 0.00 N ATOM 1674 CA PRO A 107 0.540 5.644 -8.559 1.00 0.00 C ATOM 1675 C PRO A 107 2.053 5.508 -8.683 1.00 0.00 C ATOM 1676 O PRO A 107 2.567 5.107 -9.727 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.164 4.702 -9.539 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.439 5.541 -10.740 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.694 6.930 -10.225 1.00 0.00 C ATOM 0 HA PRO A 107 0.321 5.434 -7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.465 3.848 -9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.086 4.305 -9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.407 5.529 -11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.301 5.164 -11.290 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.348 7.689 -10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.757 7.109 -10.061 1.00 0.00 H new ATOM 1687 N VAL A 108 2.763 5.843 -7.610 1.00 0.00 N ATOM 1688 CA VAL A 108 4.218 5.756 -7.598 1.00 0.00 C ATOM 1689 C VAL A 108 4.701 4.523 -8.353 1.00 0.00 C ATOM 1690 O VAL A 108 4.694 3.406 -7.837 1.00 0.00 O ATOM 1691 CB VAL A 108 4.766 5.711 -6.160 1.00 0.00 C ATOM 1692 CG1 VAL A 108 6.286 5.782 -6.164 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.174 6.839 -5.329 1.00 0.00 C ATOM 0 H VAL A 108 2.354 6.177 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 108 4.592 6.652 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 108 4.472 4.764 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.654 5.749 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.688 4.936 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.606 6.712 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.572 6.792 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.436 7.797 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.089 6.737 -5.298 1.00 0.00 H new ATOM 1703 N PRO A 109 5.133 4.728 -9.607 1.00 0.00 N ATOM 1704 CA PRO A 109 5.629 3.645 -10.460 1.00 0.00 C ATOM 1705 C PRO A 109 6.971 3.099 -9.983 1.00 0.00 C ATOM 1706 O PRO A 109 7.770 3.822 -9.387 1.00 0.00 O ATOM 1707 CB PRO A 109 5.780 4.312 -11.829 1.00 0.00 C ATOM 1708 CG PRO A 109 5.976 5.758 -11.527 1.00 0.00 C ATOM 1709 CD PRO A 109 5.170 6.034 -10.287 1.00 0.00 C ATOM 0 HA PRO A 109 4.957 2.787 -10.460 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.629 3.903 -12.377 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.896 4.153 -12.446 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.030 5.984 -11.366 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.640 6.379 -12.357 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.638 6.798 -9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.169 6.389 -10.529 1.00 0.00 H new ATOM 1717 N LEU A 110 7.212 1.820 -10.249 1.00 0.00 N ATOM 1718 CA LEU A 110 8.458 1.177 -9.847 1.00 0.00 C ATOM 1719 C LEU A 110 9.652 2.088 -10.114 1.00 0.00 C ATOM 1720 O LEU A 110 9.538 3.082 -10.831 1.00 0.00 O ATOM 1721 CB LEU A 110 8.636 -0.147 -10.593 1.00 0.00 C ATOM 1722 CG LEU A 110 7.482 -1.143 -10.475 1.00 0.00 C ATOM 1723 CD1 LEU A 110 7.708 -2.333 -11.395 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.319 -1.604 -9.034 1.00 0.00 C ATOM 0 H LEU A 110 6.561 1.208 -10.741 1.00 0.00 H new ATOM 0 HA LEU A 110 8.407 0.980 -8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.794 0.072 -11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.544 -0.628 -10.228 1.00 0.00 H new ATOM 0 HG LEU A 110 6.563 -0.642 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.877 -3.031 -11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.773 -1.988 -12.427 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.637 -2.834 -11.121 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.493 -2.312 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.238 -2.087 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.109 -0.744 -8.398 1.00 0.00 H new